Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1okw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 2.A OE2 no hydrogen 2.664 N/A PHE 4.A N MET 1.A O no hydrogen 3.120 N/A GLN 5.A N ARG 22.A O no hydrogen 2.896 N/A GLN 5.A NE2 LYS 6.A O no hydrogen 2.184 N/A VAL 7.A N LYS 20.A O no hydrogen 2.745 N/A GLU 8.A N LYS 20.A O no hydrogen 3.457 N/A LYS 9.A NZ GLU 12.A OE1 no hydrogen 3.517 N/A ILE 10.A N VAL 18.A O no hydrogen 2.632 N/A TYR 15.A OH THR 47.A O no hydrogen 2.998 N/A TYR 15.A OH GLU 51.A OE1 no hydrogen 2.544 N/A VAL 18.A N GLY 11.A O no hydrogen 2.505 N/A TYR 19.A N LEU 32.A O no hydrogen 2.854 N/A LYS 20.A N GLU 8.A O no hydrogen 2.668 N/A LYS 20.A NZ GLU 8.A OE2 no hydrogen 2.995 N/A ALA 21.A N VAL 30.A O no hydrogen 2.990 N/A ARG 22.A N GLN 5.A O no hydrogen 2.811 N/A ASN 23.A N GLU 28.A O no hydrogen 2.762 N/A LYS 24.A N ASN 3.A O no hydrogen 2.724 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.807 N/A THR 26.A N ASN 23.A OD1 no hydrogen 3.031 N/A GLY 27.A N ASN 23.A O no hydrogen 2.914 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.150 N/A VAL 30.A N ALA 21.A O no hydrogen 2.842 N/A ALA 31.A N PHE 80.A O no hydrogen 3.080 N/A LEU 32.A N TYR 19.A O no hydrogen 2.719 N/A LYS 33.A N LEU 78.A O no hydrogen 2.914 N/A LYS 33.A NZ GLU 51.A OE1 no hydrogen 3.544 N/A ILE 35.A N LEU 76.A O no hydrogen 3.071 N/A GLU 40.A N ASP 38.A OD1 no hydrogen 3.146 N/A THR 41.A N ASP 38.A OD1 no hydrogen 2.649 N/A THR 41.A OG1 ASP 38.A OD1 no hydrogen 1.712 N/A ILE 49.A N PRO 45.A O no hydrogen 2.942 N/A ARG 50.A N SER 46.A O no hydrogen 2.841 N/A GLU 51.A N THR 47.A O no hydrogen 2.952 N/A ILE 52.A N ALA 48.A O no hydrogen 3.053 N/A SER 53.A N ILE 49.A O no hydrogen 3.314 N/A SER 53.A OG ILE 49.A O no hydrogen 2.753 N/A SER 53.A OG ARG 50.A O no hydrogen 3.299 N/A LEU 54.A N ARG 50.A O no hydrogen 2.871 N/A LEU 55.A N GLU 51.A O no hydrogen 2.873 N/A LYS 56.A N ILE 52.A O no hydrogen 3.150 N/A GLU 57.A N LEU 54.A O no hydrogen 3.098 N/A LEU 58.A N LEU 55.A O no hydrogen 3.038 N/A ASN 62.A ND2 GLN 110.A OE1 no hydrogen 3.007 N/A ASN 62.A ND2 ILE 141.A O no hydrogen 2.818 N/A ILE 63.A N HIS 60.A O no hydrogen 3.170 N/A VAL 64.A N LEU 143.A O no hydrogen 2.962 N/A LYS 65.A N GLU 81.A OE1 no hydrogen 2.505 N/A LEU 67.A N VAL 79.A O no hydrogen 2.591 N/A ASP 68.A N VAL 79.A O no hydrogen 3.345 N/A ILE 70.A N TYR 77.A O no hydrogen 2.781 N/A THR 72.A N LYS 75.A O no hydrogen 2.792 N/A THR 72.A OG1 LYS 75.A O no hydrogen 3.138 N/A LYS 75.A N THR 72.A OG1 no hydrogen 3.002 N/A LEU 76.A N ILE 35.A O no hydrogen 3.239 N/A TYR 77.A N ILE 70.A O no hydrogen 2.758 N/A LEU 78.A N LYS 33.A O no hydrogen 2.899 N/A VAL 79.A N ASP 68.A O no hydrogen 3.044 N/A PHE 80.A N ALA 31.A O no hydrogen 2.951 N/A GLU 81.A N LYS 65.A O no hydrogen 3.096 N/A LEU 87.A N LEU 133.A O no hydrogen 2.756 N/A LYS 88.A NZ ASP 92.A OD1 no hydrogen 3.210 N/A LYS 88.A NZ ASP 92.A OD2 no hydrogen 3.405 N/A LYS 89.A N ASP 86.A OD1 no hydrogen 2.802 N/A LYS 89.A NZ ASP 86.A OD2 no hydrogen 3.085 N/A PHE 90.A N ASP 86.A O no hydrogen 3.061 N/A MET 91.A N LEU 87.A O no hydrogen 2.674 N/A ASP 92.A N LYS 88.A O no hydrogen 2.933 N/A ALA 93.A N LYS 89.A O no hydrogen 3.042 N/A SER 94.A N MET 91.A O no hydrogen 3.050 N/A SER 94.A OG PHE 90.A O no hydrogen 2.827 N/A ALA 95.A N ASP 92.A O no hydrogen 3.400 N/A THR 97.A OG1 SER 94.A O no hydrogen 3.124 N/A THR 97.A OG1 GLY 98.A O no hydrogen 3.309 N/A GLY 98.A N SER 94.A O no hydrogen 2.689 N/A LEU 103.A N PRO 100.A O no hydrogen 2.977 N/A ILE 104.A N PRO 100.A O no hydrogen 3.159 N/A LYS 105.A N LEU 101.A O no hydrogen 2.932 N/A LYS 105.A NZ PHE 285.A O no hydrogen 3.298 N/A LYS 105.A NZ ASP 288.A OD2 no hydrogen 3.372 N/A SER 106.A N PRO 102.A O no hydrogen 3.343 N/A SER 106.A OG THR 290.A O no hydrogen 3.216 N/A TYR 107.A N LEU 103.A O no hydrogen 2.884 N/A LEU 108.A N ILE 104.A O no hydrogen 3.075 N/A PHE 109.A N LYS 105.A O no hydrogen 3.186 N/A GLN 110.A N SER 106.A O no hydrogen 2.902 N/A GLN 110.A NE2 SER 106.A O no hydrogen 3.684 N/A GLN 110.A NE2 SER 106.A OG no hydrogen 3.032 N/A GLN 110.A NE2 GLY 139.A O no hydrogen 3.153 N/A LEU 111.A N TYR 107.A O no hydrogen 2.771 N/A LEU 112.A N LEU 108.A O no hydrogen 2.983 N/A GLN 113.A N PHE 109.A O no hydrogen 3.114 N/A GLY 114.A N GLN 110.A O no hydrogen 3.028 N/A LEU 115.A N LEU 111.A O no hydrogen 2.823 N/A ALA 116.A N LEU 112.A O no hydrogen 2.828 N/A PHE 117.A N GLN 113.A O no hydrogen 3.049 N/A CYS 118.A N GLY 114.A O no hydrogen 2.941 N/A CYS 118.A SG GLY 114.A O no hydrogen 3.555 N/A HIS 119.A N LEU 115.A O no hydrogen 2.840 N/A HIS 119.A NE2 ASP 185.A OD2 no hydrogen 3.041 N/A SER 120.A N ALA 116.A O no hydrogen 2.952 N/A SER 120.A OG ALA 116.A O no hydrogen 3.126 N/A SER 120.A OG PHE 117.A O no hydrogen 3.225 N/A HIS 121.A N CYS 118.A O no hydrogen 2.863 N/A HIS 121.A ND1 PHE 117.A O no hydrogen 2.705 N/A ARG 122.A N HIS 119.A O no hydrogen 3.120 N/A ARG 122.A NH1 GLU 57.A OE1 no hydrogen 2.928 N/A ARG 122.A NH1 GLU 57.A OE2 no hydrogen 3.223 N/A ARG 122.A NH2 GLU 57.A OE1 no hydrogen 3.071 N/A ARG 122.A NH2 HIS 121.A O no hydrogen 2.685 N/A VAL 123.A N CYS 118.A O no hydrogen 3.025 N/A LEU 124.A N ARG 150.A O no hydrogen 2.976 N/A HIS 125.A N ASP 185.A OD2 no hydrogen 2.921 N/A HIS 125.A NE2 ALA 144.A O no hydrogen 2.975 N/A ARG 126.A N ASP 185.A OD1 no hydrogen 2.981 N/A ARG 126.A NE LEU 148.A O no hydrogen 3.116 N/A ASP 127.A N HIS 125.A ND1 no hydrogen 3.120 N/A ASN 132.A N LYS 129.A O no hydrogen 2.900 N/A ASN 132.A ND2 ASP 127.A O no hydrogen 2.506 N/A ASN 132.A ND2 ASP 127.A OD2 no hydrogen 3.232 N/A LEU 133.A N PRO 130.A O no hydrogen 3.110 N/A LEU 134.A N LYS 142.A O no hydrogen 3.052 N/A ILE 135.A N GLN 85.A O no hydrogen 2.786 N/A ASN 136.A N ALA 140.A O no hydrogen 3.232 N/A GLU 138.A N ASN 136.A OD1 no hydrogen 2.650 N/A ALA 140.A N ASN 136.A OD1 no hydrogen 3.071 N/A ILE 141.A N GLN 110.A OE1 no hydrogen 2.871 N/A LYS 142.A N LEU 134.A O no hydrogen 2.861 N/A LYS 142.A NZ PRO 61.A O no hydrogen 2.968 N/A LYS 142.A NZ GLU 81.A OE2 no hydrogen 2.912 N/A LEU 143.A N ASN 62.A O no hydrogen 2.853 N/A ALA 144.A N ASN 132.A O no hydrogen 2.953 N/A PHE 146.A N GLU 51.A OE2 no hydrogen 2.803 N/A ALA 149.A N PHE 146.A O no hydrogen 2.888 N/A ARG 150.A N LEU 124.A O no hydrogen 2.908 N/A PHE 152.A N ARG 122.A O no hydrogen 2.890 N/A THR 158.A N LYS 178.A O no hydrogen 2.983 N/A THR 158.A OG1 CYS 177.A O no hydrogen 2.750 N/A TYR 168.A OH GLU 195.A OE1 no hydrogen 2.315 N/A ARG 169.A N LEU 166.A O no hydrogen 3.256 N/A ARG 169.A NE THR 165.A O no hydrogen 3.626 N/A ARG 169.A NH2 VAL 164.A O no hydrogen 3.150 N/A GLU 172.A N GLU 172.A OE2 no hydrogen 2.683 N/A ILE 173.A N ALA 170.A O no hydrogen 2.973 N/A LEU 174.A N ALA 170.A O no hydrogen 3.247 N/A LEU 175.A N PRO 171.A O no hydrogen 2.982 N/A GLY 176.A N ILE 173.A O no hydrogen 3.016 N/A CYS 177.A N GLU 172.A O no hydrogen 3.199 N/A CYS 177.A SG TYR 179.A O no hydrogen 3.081 N/A TYR 180.A N VAL 156.A O no hydrogen 2.956 N/A ALA 183.A N SER 181.A OG no hydrogen 3.330 N/A VAL 184.A N SER 181.A O no hydrogen 3.192 N/A ASP 185.A N THR 182.A O no hydrogen 3.121 N/A ILE 186.A N THR 182.A O no hydrogen 3.403 N/A TRP 187.A N ALA 183.A O no hydrogen 2.945 N/A SER 188.A N VAL 184.A O no hydrogen 2.995 N/A SER 188.A OG TYR 168.A O no hydrogen 2.956 N/A SER 188.A OG VAL 184.A O no hydrogen 3.223 N/A LEU 189.A N ASP 185.A O no hydrogen 3.051 N/A GLY 190.A N ILE 186.A O no hydrogen 2.797 N/A CYS 191.A N TRP 187.A O no hydrogen 3.151 N/A CYS 191.A N SER 188.A O no hydrogen 2.811 N/A CYS 191.A SG TRP 187.A O no hydrogen 3.439 N/A ILE 192.A N SER 188.A O no hydrogen 3.004 N/A PHE 193.A N LEU 189.A O no hydrogen 2.867 N/A ALA 194.A N GLY 190.A O no hydrogen 3.095 N/A GLU 195.A N CYS 191.A O no hydrogen 2.783 N/A MET 196.A N ILE 192.A O no hydrogen 2.927 N/A VAL 197.A N PHE 193.A O no hydrogen 3.113 N/A VAL 197.A N ALA 194.A O no hydrogen 2.887 N/A THR 198.A N ALA 194.A O no hydrogen 2.824 N/A THR 198.A OG1 ALA 194.A O no hydrogen 2.964 N/A THR 198.A OG1 ARG 200.A O no hydrogen 3.043 N/A ARG 199.A N GLU 195.A O no hydrogen 2.604 N/A GLY 205.A N PHE 203.A O no hydrogen 3.162 N/A ASP 206.A N ASP 210.A OD2 no hydrogen 2.736 N/A GLN 211.A N SER 207.A O no hydrogen 2.956 N/A GLN 211.A N GLU 208.A O no hydrogen 2.859 N/A GLN 211.A NE2 PHE 203.A O no hydrogen 2.902 N/A LEU 212.A N GLU 208.A O no hydrogen 3.198 N/A PHE 213.A N ILE 209.A O no hydrogen 3.060 N/A ARG 214.A N ASP 210.A O no hydrogen 3.037 N/A ARG 214.A NE ASP 210.A OD2 no hydrogen 2.791 N/A ILE 215.A N GLN 211.A O no hydrogen 2.998 N/A PHE 216.A N LEU 212.A O no hydrogen 2.759 N/A ARG 217.A N PHE 213.A O no hydrogen 2.642 N/A THR 218.A N ARG 214.A O no hydrogen 3.246 N/A THR 218.A N ILE 215.A O no hydrogen 3.019 N/A THR 218.A OG1 ARG 214.A O no hydrogen 3.335 N/A LEU 219.A N ILE 215.A O no hydrogen 2.878 N/A GLY 220.A N PHE 216.A O no hydrogen 2.826 N/A THR 221.A N TRP 243.A O no hydrogen 3.284 N/A THR 221.A OG1 PRO 241.A O no hydrogen 3.135 N/A VAL 225.A N ASP 223.A OD1 no hydrogen 2.702 N/A VAL 226.A N ASP 223.A OD1 no hydrogen 3.310 N/A TRP 227.A N ASP 223.A O no hydrogen 2.875 N/A GLY 229.A N GLU 224.A OE1 no hydrogen 2.992 N/A VAL 230.A N TRP 227.A O no hydrogen 3.090 N/A THR 231.A N GLU 224.A OE2 no hydrogen 3.272 N/A THR 231.A OG1 GLU 224.A OE2 no hydrogen 2.114 N/A SER 232.A N GLY 229.A O no hydrogen 2.725 N/A SER 232.A OG GLY 229.A O no hydrogen 3.373 N/A MET 233.A N VAL 230.A O no hydrogen 2.788 N/A ASP 235.A N LEU 175.A O no hydrogen 3.038 N/A TYR 236.A N MET 233.A O no hydrogen 2.781 N/A PHE 240.A N LYS 237.A O no hydrogen 3.119 N/A LYS 242.A NZ PRO 238.A O no hydrogen 3.345 N/A LYS 242.A NZ PHE 240.A O no hydrogen 3.154 N/A TRP 243.A N THR 221.A OG1 no hydrogen 2.934 N/A SER 249.A OG ASP 247.A OD2 no hydrogen 3.162 N/A LYS 250.A N ASP 247.A O no hydrogen 3.076 N/A VAL 251.A N ASP 247.A O no hydrogen 3.390 N/A VAL 252.A N PHE 248.A O no hydrogen 2.718 N/A LEU 255.A N VAL 252.A O no hydrogen 3.238 N/A ASP 258.A N ASP 256.A OD1 no hydrogen 3.233 N/A GLY 259.A N ASP 256.A OD1 no hydrogen 3.080 N/A ARG 260.A N ASP 256.A O no hydrogen 3.139 N/A SER 261.A N GLU 257.A O no hydrogen 3.152 N/A LEU 262.A N ASP 258.A O no hydrogen 2.998 N/A LEU 263.A N GLY 259.A O no hydrogen 2.809 N/A SER 264.A N ARG 260.A O no hydrogen 3.120 N/A SER 264.A N SER 261.A O no hydrogen 3.223 N/A SER 264.A OG SER 261.A O no hydrogen 2.988 N/A GLN 265.A N SER 261.A O no hydrogen 3.209 N/A GLN 265.A N LEU 262.A O no hydrogen 2.961 N/A MET 266.A N LEU 262.A O no hydrogen 2.968 N/A LEU 267.A N LEU 263.A O no hydrogen 2.823 N/A HIS 268.A N GLN 265.A O no hydrogen 3.466 N/A TYR 269.A OH GLY 220.A O no hydrogen 2.553 N/A ASN 272.A N ASP 270.A OD1 no hydrogen 2.793 N/A LYS 273.A N ASP 270.A O no hydrogen 2.777 N/A ARG 274.A N ASP 270.A O no hydrogen 3.098 N/A ARG 274.A NE HIS 268.A O no hydrogen 2.832 N/A ARG 274.A NH1 GLU 172.A OE1 no hydrogen 2.613 N/A ARG 274.A NH1 ALA 183.A O no hydrogen 2.835 N/A ARG 274.A NH2 GLU 172.A OE1 no hydrogen 3.234 N/A ARG 274.A NH2 GLU 172.A OE2 no hydrogen 2.613 N/A ARG 274.A NH2 HIS 268.A O no hydrogen 3.132 N/A ARG 274.A NH2 TYR 269.A O no hydrogen 3.232 N/A ILE 275.A N GLN 265.A O no hydrogen 3.339 N/A ALA 279.A N SER 276.A OG no hydrogen 2.939 N/A ALA 280.A N SER 276.A O no hydrogen 2.974 N/A LEU 281.A N ALA 277.A O no hydrogen 3.168 N/A ALA 282.A N ALA 279.A O no hydrogen 2.742 N/A HIS 283.A N ALA 280.A O no hydrogen 3.169 N/A PHE 285.A N HIS 283.A ND1 no hydrogen 3.002 N/A PHE 286.A N HIS 283.A O no hydrogen 2.912 N/A GLN 287.A N PRO 284.A O no hydrogen 3.139 N/A ASP 288.A N ASP 288.A OD1 no hydrogen 2.485 N/A VAL 289.A N PHE 286.A O no hydrogen 3.353 N/A