Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9kky_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N ASP 164.A OD2 no hydrogen 3.121 N/A HIS 3.A ND1 ASP 164.A OD2 no hydrogen 2.666 N/A HIS 3.A NE2 TYR 168.A OH no hydrogen 2.764 N/A ARG 4.A N TYR 68.A OH no hydrogen 2.714 N/A ARG 4.A NH1 VAL 67.A O no hydrogen 2.618 N/A ARG 4.A NH2 VAL 67.A O no hydrogen 3.507 N/A THR 5.A OG1 SER 8.A OG no hydrogen 2.258 N/A LEU 6.A N HIS 44.A NE2 no hydrogen 3.203 N/A SER 8.A N THR 5.A OG1 no hydrogen 3.049 N/A SER 8.A OG THR 5.A OG1 no hydrogen 2.258 N/A THR 9.A N THR 5.A O no hydrogen 3.136 N/A LEU 12.A N THR 9.A O no hydrogen 3.224 N/A TRP 13.A NE1 THR 5.A O no hydrogen 3.032 N/A ALA 14.A N CYS 65.A O no hydrogen 2.897 N/A SER 15.A OG HIS 64.A ND1 no hydrogen 3.106 N/A ILE 16.A N LEU 63.A O no hydrogen 2.746 N/A CYS 18.A N GLU 61.A O no hydrogen 3.106 N/A CYS 18.A SG PRO 19.A O no hydrogen 3.652 N/A ARG 20.A N GLU 60.A O no hydrogen 3.416 N/A ARG 20.A NH1.B GLU 60.A OE1 no hydrogen 2.649 N/A ARG 20.A NH2.B GLN 58.A O no hydrogen 3.265 N/A GLU 22.A N PRO 19.A O no hydrogen 2.871 N/A LEU 23.A N PRO 19.A O no hydrogen 3.312 N/A ARG 24.A N GLY 119.A O no hydrogen 2.960 N/A ARG 24.A NE ASP 26.A OD1 no hydrogen 3.239 N/A LEU 25.A N GLN 58.A OE1 no hydrogen 3.293 N/A LEU 27.A N ARG 24.A O no hydrogen 3.124 N/A VAL 28.A N LEU 25.A O no hydrogen 2.966 N/A LEU 29.A N LEU 25.A O no hydrogen 2.813 N/A SER 31.A OG LEU 27.A O no hydrogen 2.946 N/A SER 31.A OG VAL 28.A O no hydrogen 2.773 N/A GLN 33.A NE2 ARG 121.A O no hydrogen 3.262 N/A ARG 36.A N SER 34.A OG no hydrogen 3.258 N/A ARG 36.A NH1 HIS 169.A O no hydrogen 3.439 N/A ARG 36.A NH2 HIS 169.A O no hydrogen 2.506 N/A TRP 37.A NE1 TYR 89.A OH no hydrogen 3.267 N/A ARG 38.A N SER 46.A O no hydrogen 2.950 N/A ARG 38.A NH1 PHE 35.A O no hydrogen 2.656 N/A ARG 38.A NH1 TRP 37.A O no hydrogen 3.120 N/A ARG 38.A NH2 PHE 35.A O no hydrogen 3.427 N/A ARG 38.A NH2 GLU 150.A OE1 no hydrogen 2.696 N/A GLN 40.A NE2 TYR 168.A OH no hydrogen 3.375 N/A ALA 43.A N GLU 39.A OE2 no hydrogen 2.826 N/A HIS 44.A N SER 41.A O no hydrogen 2.970 N/A HIS 44.A ND1 PRO 42.A O no hydrogen 2.896 N/A TRP 45.A N LEU 56.A O no hydrogen 2.777 N/A SER 46.A N ARG 38.A O no hydrogen 2.693 N/A SER 46.A OG THR 55.A OG1 no hydrogen 2.507 N/A GLY 47.A N TRP 54.A O no hydrogen 3.038 N/A LEU 49.A N GLN 52.A O no hydrogen 2.721 N/A GLN 52.A N LEU 49.A O no hydrogen 3.455 N/A TRP 54.A N GLY 47.A O no hydrogen 2.772 N/A THR 55.A N THR 66.A O no hydrogen 2.840 N/A THR 55.A OG1 SER 46.A OG no hydrogen 2.507 N/A THR 55.A OG1 TYR 68.A OH no hydrogen 2.782 N/A LEU 56.A N TRP 45.A O no hydrogen 2.726 N/A THR 57.A N HIS 64.A O no hydrogen 2.996 N/A THR 57.A OG1 ALA 43.A O no hydrogen 2.691 N/A GLN 58.A NE2 LEU 23.A O no hydrogen 2.791 N/A THR 59.A N GLN 62.A O.A no hydrogen 2.970 N/A THR 59.A N GLN 62.A O.B no hydrogen 2.979 N/A THR 59.A OG1 GLN 62.A O.A no hydrogen 3.525 N/A THR 59.A OG1 GLN 62.A O.B no hydrogen 3.563 N/A THR 59.A OG1 HIS 64.A NE2 no hydrogen 3.380 N/A LEU 63.A N ILE 16.A O no hydrogen 2.983 N/A HIS 64.A N THR 57.A O no hydrogen 2.582 N/A CYS 65.A N ALA 14.A O no hydrogen 2.923 N/A CYS 65.A SG LEU 63.A O no hydrogen 3.947 N/A THR 66.A N THR 55.A O no hydrogen 3.088 N/A THR 66.A OG1 LEU 12.A O no hydrogen 2.669 N/A TYR 68.A N VAL 53.A O no hydrogen 2.943 N/A TYR 68.A OH THR 55.A OG1 no hydrogen 2.782 N/A SER 76.A OG GLN 74.A O no hydrogen 3.521 N/A ARG 77.A NH1 TRP 13.A O no hydrogen 3.029 N/A THR 79.A N GLU 82.A OE1 no hydrogen 3.011 N/A GLU 82.A N THR 79.A OG1 no hydrogen 3.107 N/A LEU 83.A N THR 79.A O no hydrogen 2.930 N/A GLU 84.A N PRO 80.A O no hydrogen 3.135 N/A ALA 85.A N GLU 82.A O no hydrogen 3.097 N/A ARG 87.A N LEU 83.A O no hydrogen 3.055 N/A LYS 88.A N GLU 84.A O no hydrogen 2.932 N/A TYR 89.A N ALA 85.A O no hydrogen 2.960 N/A PHE 90.A N VAL 86.A O no hydrogen 3.075 N/A GLN 91.A N LYS 88.A O no hydrogen 3.017 N/A GLN 91.A NE2 LEU 122.A O no hydrogen 2.628 N/A LEU 92.A N ARG 87.A O no hydrogen 3.360 N/A VAL 94.A N GLN 91.A O no hydrogen 3.324 N/A LEU 96.A N GLU 22.A OE1 no hydrogen 2.850 N/A ALA 97.A N GLU 22.A OE2 no hydrogen 3.227 N/A LEU 99.A N THR 95.A O no hydrogen 3.258 N/A TYR 100.A N LEU 96.A O no hydrogen 2.627 N/A TYR 100.A OH PHE 117.A O no hydrogen 2.852 N/A HIS 101.A N ALA 97.A O no hydrogen 3.119 N/A HIS 102.A N GLN 98.A O no hydrogen 3.005 N/A TRP 103.A N LEU 99.A O no hydrogen 2.855 N/A GLY 104.A N TYR 100.A O no hydrogen 2.796 N/A SER 105.A N HIS 101.A O no hydrogen 2.803 N/A SER 105.A OG HIS 101.A O no hydrogen 2.628 N/A HIS 109.A N ASP 107.A OD1 no hydrogen 3.156 N/A GLN 111.A N ASP 107.A O no hydrogen 3.384 N/A GLU 112.A N SER 108.A O no hydrogen 3.424 N/A VAL 113.A N PHE 110.A O no hydrogen 3.052 N/A ALA 114.A N PHE 110.A O no hydrogen 2.792 N/A LYS 116.A N VAL 113.A O no hydrogen 3.053 N/A PHE 117.A N VAL 113.A O no hydrogen 3.331 N/A VAL 120.A N TYR 100.A OH no hydrogen 3.418 N/A ARG 121.A NE GLU 22.A O no hydrogen 2.774 N/A ARG 121.A NH1 PHE 90.A O no hydrogen 3.142 N/A ARG 121.A NH1 VAL 94.A O no hydrogen 3.232 N/A ARG 121.A NH2 GLU 22.A O no hydrogen 3.097 N/A ARG 121.A NH2 VAL 94.A O no hydrogen 3.238 N/A LEU 123.A N GLN 33.A OE1 no hydrogen 3.226 N/A ARG 124.A N TYR 89.A O no hydrogen 2.817 N/A ARG 124.A NE ASP 250.A OD1 no hydrogen 2.658 N/A ARG 124.A NE ASP 250.A OD2 no hydrogen 3.240 N/A ARG 124.A NH2 ASP 250.A OD2 no hydrogen 2.717 N/A GLN 125.A N MET 247.A O no hydrogen 2.908 N/A GLU 129.A N ASP 126.A OD2 no hydrogen 3.428 N/A CYS 130.A N ASP 126.A O no hydrogen 2.973 N/A CYS 130.A SG GLN 125.A OE1 no hydrogen 4.005 N/A LEU 131.A N PRO 127.A O no hydrogen 2.778 N/A PHE 132.A N ILE 128.A O no hydrogen 3.091 N/A SER 133.A N GLU 129.A O no hydrogen 2.924 N/A SER 133.A OG GLU 129.A O no hydrogen 2.580 N/A PHE 134.A N CYS 130.A O no hydrogen 3.068 N/A PHE 134.A N LEU 131.A O no hydrogen 3.233 N/A ILE 135.A N LEU 131.A O no hydrogen 2.837 N/A CYS 136.A N PHE 132.A O no hydrogen 3.251 N/A CYS 136.A SG PHE 132.A O no hydrogen 3.217 N/A SER 137.A OG PHE 134.A O no hydrogen 2.528 N/A ASN 140.A ND2 CYS 136.A O no hydrogen 2.773 N/A ILE 145.A N ASN 141.A O no hydrogen 2.921 N/A THR 146.A N ILE 142.A O no hydrogen 2.766 N/A THR 146.A OG1 ILE 142.A O no hydrogen 2.566 N/A GLY 147.A N ALA 143.A O no hydrogen 3.101 N/A MET 148.A N ARG 144.A O no hydrogen 2.895 N/A VAL 149.A N ILE 145.A O no hydrogen 2.858 N/A GLU 150.A N THR 146.A O no hydrogen 2.986 N/A ARG 151.A N GLY 147.A O no hydrogen 2.876 N/A ARG 151.A NE LEU 189.A O no hydrogen 3.148 N/A ARG 151.A NH2 LEU 189.A O no hydrogen 2.678 N/A LEU 152.A N MET 148.A O no hydrogen 2.925 N/A CYS 153.A N VAL 149.A O no hydrogen 3.090 N/A CYS 153.A SG VAL 149.A O no hydrogen 3.257 N/A GLN 154.A N GLU 150.A O no hydrogen 3.123 N/A ALA 155.A N ARG 151.A O no hydrogen 3.086 N/A PHE 156.A N LEU 152.A O no hydrogen 3.149 N/A GLY 157.A N CYS 153.A O no hydrogen 2.639 N/A LEU 160.A N TYR 168.A O no hydrogen 2.774 N/A GLN 162.A NE2 ASP 164.A O no hydrogen 3.225 N/A LEU 163.A N VAL 166.A O no hydrogen 2.992 N/A VAL 166.A N LEU 163.A O no hydrogen 2.992 N/A TYR 168.A N ILE 161.A O no hydrogen 2.840 N/A TYR 168.A OH HIS 3.A NE2 no hydrogen 2.764 N/A HIS 169.A ND1 GLY 157.A O no hydrogen 2.913 N/A GLY 170.A N PRO 158.A O no hydrogen 2.869 N/A GLN 175.A N GLN 175.A OE1 no hydrogen 2.869 N/A ALA 176.A N SER 173.A OG no hydrogen 3.158 N/A LEU 177.A N SER 173.A O no hydrogen 3.187 N/A ALA 178.A N GLN 175.A O no hydrogen 3.236 N/A GLY 179.A N ALA 176.A O no hydrogen 3.342 N/A HIS 185.A N GLU 181.A O no hydrogen 3.186 N/A LEU 186.A N VAL 182.A O no hydrogen 2.789 N/A ARG 187.A N GLU 183.A O no hydrogen 2.947 N/A ARG 187.A NH1 GLU 183.A OE2 no hydrogen 2.691 N/A ARG 187.A NH2 GLU 183.A OE2 no hydrogen 3.245 N/A LYS 188.A N ALA 184.A O no hydrogen 3.263 N/A LEU 189.A N LEU 186.A O no hydrogen 3.088 N/A GLY 190.A N ARG 187.A O no hydrogen 2.716 N/A LEU 191.A N LEU 186.A O no hydrogen 3.291 N/A ARG 194.A NE LEU 191.A O no hydrogen 2.614 N/A ARG 194.A NH1 SER 138.A O no hydrogen 2.633 N/A ARG 194.A NH1 CYS 139.A O no hydrogen 3.207 N/A ARG 194.A NH2 LEU 191.A O no hydrogen 3.254 N/A ALA 195.A N GLY 192.A O no hydrogen 3.118 N/A ARG 196.A N TYR 193.A O no hydrogen 3.054 N/A VAL 198.A N ARG 194.A O no hydrogen 2.863 N/A SER 199.A N ALA 195.A O no hydrogen 3.208 N/A ALA 200.A N ARG 196.A O no hydrogen 2.821 N/A SER 201.A N TYR 197.A O no hydrogen 2.896 N/A SER 201.A OG TYR 197.A O no hydrogen 3.138 N/A ALA 202.A N VAL 198.A O no hydrogen 3.041 N/A ARG 203.A N SER 199.A O no hydrogen 3.019 N/A ARG 203.A NE ALA 178.A O no hydrogen 3.102 N/A ARG 203.A NH2 GLY 179.A O no hydrogen 3.319 N/A ALA 204.A N ALA 200.A O no hydrogen 2.795 N/A ILE 205.A N SER 201.A O no hydrogen 2.918 N/A LEU 206.A N ALA 202.A O no hydrogen 3.203 N/A GLU 207.A N ARG 203.A O no hydrogen 2.727 N/A GLU 208.A N ALA 204.A O no hydrogen 3.055 N/A GLN 209.A N ALA 204.A O no hydrogen 2.972 N/A GLN 209.A N ILE 205.A O no hydrogen 3.273 N/A GLY 211.A N ILE 205.A O no hydrogen 2.883 N/A TRP 214.A N GLY 211.A O no hydrogen 3.210 N/A GLN 216.A N LEU 212.A O no hydrogen 3.079 N/A GLN 217.A N ALA 213.A O no hydrogen 2.864 N/A LEU 218.A N LEU 215.A O no hydrogen 3.373 N/A ARG 219.A N GLN 216.A O no hydrogen 3.084 N/A ARG 219.A NE ALA 248.A O no hydrogen 2.800 N/A ARG 219.A NH2 ALA 248.A O no hydrogen 2.798 N/A SER 221.A OG GLN 217.A O no hydrogen 3.545 N/A TYR 223.A OH ASP 242.A OD1 no hydrogen 2.503 N/A GLU 225.A N SER 222.A OG no hydrogen 3.046 N/A ALA 226.A N SER 222.A O no hydrogen 2.746 N/A HIS 227.A N TYR 223.A O no hydrogen 3.028 N/A HIS 227.A NE2 THR 238.A O no hydrogen 3.179 N/A LYS 228.A N GLU 224.A O no hydrogen 3.236 N/A ALA 229.A N GLU 225.A O no hydrogen 3.338 N/A LEU 230.A N ALA 226.A O no hydrogen 3.142 N/A CYS 231.A N HIS 227.A O no hydrogen 3.215 N/A CYS 231.A SG HIS 227.A O no hydrogen 3.312 N/A CYS 231.A SG GLY 237.A O no hydrogen 3.489 N/A ILE 232.A N ALA 229.A O no hydrogen 3.254 N/A LEU 233.A N LEU 230.A O no hydrogen 3.053 N/A VAL 236.A N LEU 233.A O no hydrogen 3.226 N/A ALA 241.A N GLY 237.A O no hydrogen 3.090 N/A ASP 242.A N THR 238.A O no hydrogen 3.112 N/A CYS 243.A N LYS 239.A O no hydrogen 3.102 N/A CYS 243.A SG LYS 239.A O no hydrogen 3.221 N/A ILE 244.A N VAL 240.A O no hydrogen 3.069 N/A CYS 245.A N ALA 241.A O no hydrogen 2.980 N/A CYS 245.A SG ALA 241.A O no hydrogen 3.082 N/A LEU 246.A N ASP 242.A O no hydrogen 2.830 N/A MET 247.A N CYS 243.A O no hydrogen 2.801 N/A ALA 248.A N ILE 244.A O no hydrogen 2.811 N/A LEU 249.A N ILE 244.A O no hydrogen 3.144 N/A LEU 249.A N CYS 245.A O no hydrogen 3.288 N/A LYS 251.A N CYS 245.A O no hydrogen 3.033 N/A LYS 251.A NZ LEU 218.A O no hydrogen 2.702 N/A LYS 251.A NZ ARG 219.A O no hydrogen 2.827 N/A LYS 251.A NZ SER 221.A O no hydrogen 2.674 N/A LYS 251.A NZ LEU 249.A O no hydrogen 3.019 N/A GLN 253.A N GLN 253.A OE1 no hydrogen 2.823 N/A ALA 254.A N LYS 251.A O no hydrogen 3.082 N/A TRP 262.A N ASP 258.A O no hydrogen 3.338 N/A TRP 262.A NE1 ASN 286.A OD1 no hydrogen 3.062 N/A HIS 263.A N VAL 259.A O no hydrogen 2.934 N/A ILE 264.A N HIS 260.A O no hydrogen 3.202 N/A ALA 265.A N MET 261.A O no hydrogen 2.629 N/A GLN 266.A N TRP 262.A O no hydrogen 2.940 N/A ARG 267.A N HIS 263.A O no hydrogen 2.977 N/A ASP 268.A N ILE 264.A O no hydrogen 3.146 N/A TYR 269.A OH ASP 107.A OD2 no hydrogen 2.439 N/A SER 270.A N GLN 266.A O no hydrogen 2.962 N/A SER 270.A OG TYR 269.A O no hydrogen 2.673 N/A TRP 271.A N ALA 265.A O no hydrogen 3.134 N/A THR 274.A N GLU 288.A OE2 no hydrogen 3.237 N/A THR 274.A OG1 GLU 288.A OE1 no hydrogen 3.234 N/A THR 275.A N GLU 288.A OE2 no hydrogen 3.022 N/A THR 275.A OG1 GLU 288.A OE2 no hydrogen 2.658 N/A SER 282.A OG THR 285.A OG1 no hydrogen 3.070 N/A THR 285.A N SER 282.A OG no hydrogen 3.318 N/A THR 285.A OG1 GLY 280.A O no hydrogen 3.153 N/A THR 285.A OG1 SER 282.A O no hydrogen 3.278 N/A THR 285.A OG1 SER 282.A OG no hydrogen 3.070 N/A ASN 286.A N SER 282.A O no hydrogen 2.910 N/A GLU 288.A N GLN 284.A O no hydrogen 3.189 N/A LEU 289.A N THR 285.A O no hydrogen 2.968 N/A GLY 290.A N ASN 286.A O no hydrogen 3.090 N/A ASN 291.A N LYS 287.A O no hydrogen 3.104 N/A PHE 292.A N GLU 288.A O no hydrogen 2.576 N/A PHE 293.A N LEU 289.A O no hydrogen 3.198 N/A ARG 294.A N GLY 290.A O no hydrogen 3.049 N/A ARG 294.A NH1 GLN 253.A O no hydrogen 2.727 N/A ARG 294.A NH2 ASN 291.A OD1 no hydrogen 2.695 N/A SER 295.A N ASN 291.A O no hydrogen 2.772 N/A LEU 296.A N PHE 292.A O no hydrogen 2.839 N/A TRP 297.A N PHE 293.A O no hydrogen 2.792 N/A TRP 297.A NE1 ASP 107.A OD2 no hydrogen 3.300 N/A GLY 298.A N ARG 294.A O no hydrogen 2.844 N/A ALA 301.A N GLY 298.A O no hydrogen 3.104 N/A GLY 302.A N PRO 252.A O no hydrogen 2.781 N/A ALA 304.A N TYR 300.A O no hydrogen 3.181 N/A GLN 305.A N ALA 301.A O no hydrogen 2.920 N/A GLN 305.A NE2 PRO 256.A O no hydrogen 2.843 N/A ALA 306.A N GLY 302.A O no hydrogen 3.219 N/A VAL 307.A N ALA 304.A O no hydrogen 3.104 N/A LEU 308.A N ALA 304.A O no hydrogen 3.423 N/A PHE 309.A N GLN 305.A O no hydrogen 2.910 N/A SER 310.A N ALA 306.A O no hydrogen 2.964 N/A ALA 311.A N VAL 307.A O no hydrogen 3.136 N/A ALA 311.A N LEU 308.A O no hydrogen 3.189 N/A ASP 312.A N LEU 308.A O no hydrogen 3.298 N/A