Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xdk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A OG1 LYS 1.A O no hydrogen 2.730 N/A VAL 5.A N LYS 1.A O no hydrogen 3.372 N/A VAL 6.A N TRP 2.A O no hydrogen 3.082 N/A ALA 7.A N LYS 3.A O no hydrogen 3.195 N/A ILE 8.A N THR 4.A O no hydrogen 2.847 N/A PHE 9.A N VAL 5.A O no hydrogen 3.023 N/A VAL 10.A N VAL 6.A O no hydrogen 3.115 N/A VAL 11.A N ALA 7.A O no hydrogen 3.149 N/A VAL 12.A N ILE 8.A O no hydrogen 2.845 N/A VAL 13.A N PHE 9.A O no hydrogen 2.897 N/A VAL 14.A N VAL 10.A O no hydrogen 2.852 N/A TYR 15.A N VAL 11.A O no hydrogen 2.897 N/A LEU 16.A N VAL 12.A O no hydrogen 2.922 N/A VAL 17.A N VAL 13.A O no hydrogen 3.158 N/A THR 18.A N VAL 14.A O no hydrogen 2.805 N/A THR 18.A OG1 VAL 14.A O no hydrogen 2.894 N/A GLY 19.A N TYR 15.A O no hydrogen 2.819 N/A GLY 20.A N LEU 16.A O no hydrogen 2.806 N/A LEU 21.A N VAL 17.A O no hydrogen 2.952 N/A VAL 22.A N THR 18.A O no hydrogen 3.044 N/A PHE 23.A N GLY 19.A O no hydrogen 2.893 N/A ARG 24.A N GLY 20.A O no hydrogen 3.118 N/A ALA 25.A N LEU 21.A O no hydrogen 3.154 N/A LEU 26.A N VAL 22.A O no hydrogen 3.071 N/A GLU 27.A N PHE 23.A O no hydrogen 2.791 N/A GLN 28.A N ARG 24.A O no hydrogen 3.055 N/A GLU 31.A N GLU 27.A O no hydrogen 2.927 N/A SER 32.A N GLN 28.A O no hydrogen 2.955 N/A SER 32.A OG GLN 28.A O no hydrogen 3.191 N/A SER 33.A N PRO 29.A O no hydrogen 3.011 N/A GLN 34.A N PHE 30.A O no hydrogen 2.884 N/A LYS 35.A N GLU 31.A O no hydrogen 3.079 N/A ASN 36.A N SER 32.A O no hydrogen 3.227 N/A THR 37.A N SER 33.A O no hydrogen 3.337 N/A THR 37.A OG1 SER 33.A O no hydrogen 2.724 N/A ILE 38.A N GLN 34.A O no hydrogen 2.977 N/A ALA 39.A N LYS 35.A O no hydrogen 3.405 N/A LEU 40.A N ASN 36.A O no hydrogen 3.212 N/A GLU 41.A N THR 37.A O no hydrogen 2.811 N/A LYS 42.A N ILE 38.A O no hydrogen 3.049 N/A LYS 42.A NZ GLU 58.A OE1 no hydrogen 3.116 N/A LYS 42.A NZ GLU 58.A OE2 no hydrogen 3.070 N/A ALA 43.A N ALA 39.A O no hydrogen 3.219 N/A GLU 44.A N LEU 40.A O no hydrogen 2.817 N/A PHE 45.A N GLU 41.A O no hydrogen 3.083 N/A LEU 46.A N LYS 42.A O no hydrogen 3.173 N/A ARG 47.A N ALA 43.A O no hydrogen 3.225 N/A ASP 48.A N GLU 44.A O no hydrogen 3.208 N/A HIS 49.A N PHE 45.A O no hydrogen 2.844 N/A VAL 52.A N HIS 49.A O no hydrogen 3.424 N/A SER 53.A N GLU 56.A OE2 no hydrogen 3.151 N/A GLN 55.A N SER 53.A OG no hydrogen 3.188 N/A GLN 55.A NE2 GLN 55.A O no hydrogen 3.458 N/A GLU 56.A N SER 53.A OG no hydrogen 3.157 N/A GLU 58.A N PRO 54.A O no hydrogen 3.361 N/A THR 59.A N GLN 55.A O no hydrogen 3.126 N/A THR 59.A OG1 GLN 55.A O no hydrogen 2.759 N/A ILE 61.A N LEU 57.A O no hydrogen 2.949 N/A GLN 62.A N GLU 58.A O no hydrogen 2.801 N/A GLN 62.A NE2 GLN 62.A O no hydrogen 3.372 N/A GLN 62.A NE2 ASP 66.A OD1 no hydrogen 3.145 N/A GLN 62.A NE2 ASP 66.A OD2 no hydrogen 3.506 N/A HIS 63.A N THR 59.A O no hydrogen 2.914 N/A ALA 64.A N LEU 60.A O no hydrogen 3.009 N/A LEU 65.A N ILE 61.A O no hydrogen 2.814 N/A ASP 66.A N GLN 62.A O no hydrogen 2.826 N/A ALA 67.A N HIS 63.A O no hydrogen 3.190 N/A ASP 68.A N ALA 64.A O no hydrogen 3.186 N/A ASN 69.A N LEU 65.A O no hydrogen 2.830 N/A ALA 70.A N ASP 66.A O no hydrogen 3.071 N/A GLY 71.A N ALA 67.A O no hydrogen 3.119 N/A GLY 71.A N ASP 68.A O no hydrogen 3.042 N/A VAL 72.A N ALA 67.A O no hydrogen 2.857 N/A TRP 80.A N SER 78.A OG no hydrogen 3.127 N/A SER 84.A N ASP 81.A OD1 no hydrogen 2.808 N/A SER 84.A OG HIS 79.A O no hydrogen 3.057 N/A ALA 85.A N ASP 81.A O no hydrogen 2.793 N/A PHE 86.A N LEU 82.A O no hydrogen 3.311 N/A PHE 87.A N GLY 83.A O no hydrogen 3.156 N/A PHE 88.A N SER 84.A O no hydrogen 2.978 N/A ALA 89.A N ALA 85.A O no hydrogen 3.016 N/A GLY 90.A N PHE 86.A O no hydrogen 3.014 N/A THR 91.A N PHE 87.A O no hydrogen 2.842 N/A THR 91.A N PHE 88.A O no hydrogen 3.002 N/A THR 91.A OG1 PHE 87.A O no hydrogen 2.814 N/A VAL 92.A N PHE 88.A O no hydrogen 3.139 N/A VAL 92.A N ALA 89.A O no hydrogen 3.086 N/A ILE 93.A N ALA 89.A O no hydrogen 3.192 N/A THR 94.A N GLY 90.A O no hydrogen 3.218 N/A THR 94.A OG1 GLY 90.A O no hydrogen 2.742 N/A THR 94.A OG1 THR 91.A O no hydrogen 3.210 N/A THR 95.A N VAL 92.A O no hydrogen 3.071 N/A THR 95.A OG1 THR 94.A O no hydrogen 2.709 N/A GLY 97.A N THR 91.A O no hydrogen 3.084 N/A TYR 98.A OH THR 201.A OG1 no hydrogen 2.966 N/A SER 104.A OG ALA 102.A O no hydrogen 3.515 N/A LYS 109.A N THR 105.A O no hydrogen 2.880 N/A LYS 109.A NZ PRO 103.A O no hydrogen 2.817 N/A ILE 110.A N GLU 106.A O no hydrogen 3.184 N/A PHE 111.A N GLY 107.A O no hydrogen 2.955 N/A CYS 112.A N GLY 108.A O no hydrogen 3.119 N/A ILE 113.A N LYS 109.A O no hydrogen 3.010 N/A LEU 114.A N ILE 110.A O no hydrogen 3.240 N/A TYR 115.A N PHE 111.A O no hydrogen 2.741 N/A ALA 116.A N CYS 112.A O no hydrogen 3.094 N/A ILE 117.A N ILE 113.A O no hydrogen 3.159 N/A PHE 118.A N LEU 114.A O no hydrogen 3.278 N/A GLY 119.A N TYR 115.A O no hydrogen 2.815 N/A ILE 120.A N ALA 116.A O no hydrogen 2.996 N/A PHE 123.A N GLY 119.A O no hydrogen 3.199 N/A PHE 123.A N ILE 120.A O no hydrogen 3.140 N/A GLY 124.A N ILE 120.A O no hydrogen 3.095 N/A PHE 125.A N PRO 121.A O no hydrogen 3.034 N/A LEU 126.A N LEU 122.A O no hydrogen 3.413 N/A LEU 127.A N PHE 123.A O no hydrogen 2.805 N/A ALA 128.A N GLY 124.A O no hydrogen 2.843 N/A GLY 129.A N PHE 125.A O no hydrogen 3.047 N/A ILE 130.A N LEU 126.A O no hydrogen 3.080 N/A GLY 131.A N LEU 127.A O no hydrogen 2.984 N/A ASP 132.A N ALA 128.A O no hydrogen 2.815 N/A GLN 133.A N GLY 129.A O no hydrogen 3.372 N/A LEU 134.A N ILE 130.A O no hydrogen 2.980 N/A GLY 135.A N GLY 131.A O no hydrogen 3.145 N/A THR 136.A N GLN 133.A O no hydrogen 3.289 N/A THR 136.A OG1 ASP 132.A O no hydrogen 2.981 N/A ILE 137.A N GLN 133.A O no hydrogen 3.321 N/A PHE 138.A N LEU 134.A O no hydrogen 2.866 N/A GLY 139.A N GLY 135.A O no hydrogen 2.834 N/A LYS 140.A N THR 136.A O no hydrogen 2.913 N/A SER 141.A N ILE 137.A O no hydrogen 3.325 N/A SER 141.A OG ILE 137.A O no hydrogen 3.009 N/A ILE 142.A N PHE 138.A O no hydrogen 3.088 N/A ALA 143.A N GLY 139.A O no hydrogen 3.110 N/A ARG 144.A N LYS 140.A O no hydrogen 3.285 N/A GLU 146.A N ILE 142.A O no hydrogen 3.016 N/A LYS 147.A N ALA 143.A O no hydrogen 3.334 N/A VAL 148.A N VAL 145.A O no hydrogen 3.273 N/A GLN 153.A N PHE 149.A O no hydrogen 3.022 N/A LYS 158.A N SER 155.A O no hydrogen 2.955 N/A ILE 159.A N SER 155.A O no hydrogen 3.242 N/A ARG 160.A N GLN 156.A O no hydrogen 3.066 N/A VAL 161.A N THR 157.A O no hydrogen 3.082 N/A VAL 161.A N LYS 158.A O no hydrogen 3.254 N/A ILE 162.A N LYS 158.A O no hydrogen 3.126 N/A SER 163.A N ILE 159.A O no hydrogen 3.148 N/A SER 163.A OG ILE 159.A O no hydrogen 2.739 N/A THR 164.A N ARG 160.A O no hydrogen 3.223 N/A THR 164.A OG1 ARG 160.A O no hydrogen 2.669 N/A ILE 165.A N VAL 161.A O no hydrogen 3.086 N/A LEU 166.A N ILE 162.A O no hydrogen 3.177 N/A PHE 167.A N SER 163.A O no hydrogen 3.041 N/A ILE 168.A N THR 164.A O no hydrogen 2.976 N/A LEU 169.A N ILE 165.A O no hydrogen 3.038 N/A ALA 170.A N LEU 166.A O no hydrogen 2.800 N/A GLY 171.A N PHE 167.A O no hydrogen 3.111 N/A CYS 172.A N ILE 168.A O no hydrogen 3.020 N/A CYS 172.A SG ILE 168.A O no hydrogen 3.357 N/A ILE 173.A N LEU 169.A O no hydrogen 3.122 N/A ILE 173.A N ALA 170.A O no hydrogen 3.380 N/A VAL 174.A N ALA 170.A O no hydrogen 3.134 N/A PHE 175.A N GLY 171.A O no hydrogen 2.837 N/A THR 177.A N CYS 172.A O no hydrogen 2.812 N/A THR 177.A OG1 CYS 172.A O no hydrogen 2.722 N/A ILE 178.A N ILE 173.A O no hydrogen 2.955 N/A ALA 180.A N VAL 176.A O no hydrogen 3.361 N/A VAL 181.A N THR 177.A O no hydrogen 3.199 N/A ILE 182.A N ILE 178.A O no hydrogen 3.296 N/A PHE 183.A N PRO 179.A O no hydrogen 2.993 N/A LYS 184.A N ALA 180.A O no hydrogen 2.987 N/A TYR 185.A N VAL 181.A O no hydrogen 3.199 N/A ILE 186.A N ILE 182.A O no hydrogen 2.813 N/A GLU 187.A N PHE 183.A O no hydrogen 2.893 N/A THR 190.A N GLU 193.A OE1 no hydrogen 3.106 N/A GLU 193.A N THR 190.A OG1 no hydrogen 3.385 N/A SER 194.A N THR 190.A O no hydrogen 3.045 N/A SER 194.A OG THR 190.A O no hydrogen 2.794 N/A ILE 195.A N ALA 191.A O no hydrogen 3.386 N/A TYR 196.A N LEU 192.A O no hydrogen 2.742 N/A TYR 196.A OH ASP 209.A OD2 no hydrogen 3.258 N/A PHE 197.A N GLU 193.A O no hydrogen 2.974 N/A VAL 198.A N SER 194.A O no hydrogen 3.206 N/A VAL 199.A N ILE 195.A O no hydrogen 2.882 N/A VAL 200.A N TYR 196.A O no hydrogen 2.921 N/A THR 201.A N PHE 197.A O no hydrogen 2.793 N/A THR 201.A OG1 TYR 98.A OH no hydrogen 2.966 N/A THR 201.A OG1 PHE 197.A O no hydrogen 2.734 N/A LEU 202.A N VAL 198.A O no hydrogen 2.911 N/A THR 203.A N VAL 199.A O no hydrogen 2.941 N/A THR 203.A OG1 VAL 199.A O no hydrogen 2.718 N/A THR 204.A N THR 201.A O no hydrogen 3.011 N/A THR 204.A OG1 THR 203.A O no hydrogen 2.726 N/A GLY 206.A N VAL 200.A O no hydrogen 2.948 N/A TYR 218.A N ARG 215.A O no hydrogen 3.486 N/A LEU 221.A N TRP 217.A O no hydrogen 3.206 N/A VAL 222.A N TYR 218.A O no hydrogen 2.927 N/A TRP 223.A N LYS 219.A O no hydrogen 3.133 N/A PHE 224.A N PRO 220.A O no hydrogen 2.830 N/A TRP 225.A N LEU 221.A O no hydrogen 2.857 N/A TRP 225.A NE1 PHE 175.A O no hydrogen 2.944 N/A ILE 226.A N VAL 222.A O no hydrogen 2.967 N/A LEU 227.A N TRP 223.A O no hydrogen 2.810 N/A VAL 228.A N PHE 224.A O no hydrogen 2.954 N/A GLY 229.A N TRP 225.A O no hydrogen 2.788 N/A LEU 230.A N ILE 226.A O no hydrogen 2.775 N/A ALA 231.A N LEU 227.A O no hydrogen 3.115 N/A TYR 232.A N VAL 228.A O no hydrogen 2.853 N/A TYR 232.A OH PHE 167.A O no hydrogen 2.652 N/A PHE 233.A N GLY 229.A O no hydrogen 3.314 N/A ALA 234.A N LEU 230.A O no hydrogen 2.846 N/A ALA 235.A N ALA 231.A O no hydrogen 3.019 N/A ALA 235.A N TYR 232.A O no hydrogen 3.211 N/A VAL 236.A N TYR 232.A O no hydrogen 3.210 N/A LEU 237.A N PHE 233.A O no hydrogen 3.046 N/A SER 238.A N ALA 234.A O no hydrogen 2.998 N/A MET 239.A N ALA 235.A O no hydrogen 3.163 N/A ILE 240.A N VAL 236.A O no hydrogen 3.081 N/A GLY 241.A N LEU 237.A O no hydrogen 2.823 N/A ASP 242.A N SER 238.A O no hydrogen 2.918 N/A TRP 243.A N MET 239.A O no hydrogen 3.224 N/A LEU 244.A N ILE 240.A O no hydrogen 3.030 N/A ARG 245.A N GLY 241.A O no hydrogen 3.120 N/A VAL 246.A N ASP 242.A O no hydrogen 3.353 N/A LEU 247.A N TRP 243.A O no hydrogen 3.119 N/A SER 248.A N LEU 244.A O no hydrogen 3.061 N/A