Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9kl8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N ASP 164.A OD2 no hydrogen 3.084 N/A HIS 3.A ND1 ASP 164.A OD2 no hydrogen 2.802 N/A HIS 3.A NE2 TYR 168.A OH no hydrogen 2.603 N/A ARG 4.A N TYR 68.A OH no hydrogen 2.851 N/A ARG 4.A NH1 THR 66.A OG1 no hydrogen 2.753 N/A ARG 4.A NH1 VAL 67.A O no hydrogen 2.917 N/A THR 5.A N SER 8.A OG no hydrogen 3.347 N/A LEU 6.A N HIS 44.A NE2 no hydrogen 3.075 N/A SER 8.A N THR 5.A O no hydrogen 3.109 N/A SER 8.A N THR 5.A OG1 no hydrogen 3.098 N/A SER 8.A OG THR 5.A O no hydrogen 3.529 N/A THR 9.A N THR 5.A O no hydrogen 3.447 N/A LEU 12.A N THR 9.A O no hydrogen 3.232 N/A TRP 13.A NE1 THR 5.A O no hydrogen 2.925 N/A ALA 14.A N CYS 65.A O no hydrogen 2.845 N/A SER 15.A OG HIS 64.A ND1 no hydrogen 3.200 N/A ILE 16.A N LEU 63.A O no hydrogen 2.832 N/A CYS 18.A N GLU 61.A O no hydrogen 3.223 N/A CYS 18.A SG PRO 19.A O no hydrogen 3.713 N/A GLU 22.A N PRO 19.A O no hydrogen 3.107 N/A ARG 24.A N GLY 119.A O no hydrogen 2.911 N/A LEU 25.A N GLN 58.A OE1 no hydrogen 2.955 N/A LEU 27.A N ARG 24.A O no hydrogen 3.052 N/A VAL 28.A N LEU 25.A O no hydrogen 3.224 N/A LEU 29.A N LEU 25.A O no hydrogen 3.014 N/A SER 31.A OG LEU 27.A O no hydrogen 3.228 N/A SER 31.A OG VAL 28.A O no hydrogen 2.914 N/A GLN 33.A NE2 ARG 121.A O no hydrogen 3.120 N/A ARG 36.A NH1 HIS 169.A O no hydrogen 3.021 N/A ARG 36.A NH2 HIS 169.A O no hydrogen 2.605 N/A TRP 37.A NE1 TYR 89.A OH no hydrogen 3.206 N/A ARG 38.A N SER 46.A O no hydrogen 3.050 N/A ARG 38.A NH1 PHE 35.A O no hydrogen 3.197 N/A ARG 38.A NH1 TRP 37.A O no hydrogen 2.939 N/A ALA 43.A N GLU 39.A OE2 no hydrogen 2.940 N/A HIS 44.A N SER 41.A O no hydrogen 2.873 N/A HIS 44.A ND1 PRO 42.A O no hydrogen 2.692 N/A TRP 45.A N LEU 56.A O no hydrogen 2.922 N/A SER 46.A N ARG 38.A O no hydrogen 2.898 N/A SER 46.A OG THR 55.A OG1 no hydrogen 2.883 N/A GLY 47.A N TRP 54.A O no hydrogen 3.182 N/A LEU 49.A N GLN 52.A O no hydrogen 2.657 N/A GLN 52.A N LEU 49.A O no hydrogen 3.191 N/A TRP 54.A N GLY 47.A O no hydrogen 2.993 N/A THR 55.A N THR 66.A O no hydrogen 2.979 N/A THR 55.A OG1 SER 46.A OG no hydrogen 2.883 N/A THR 55.A OG1 TYR 68.A OH no hydrogen 2.916 N/A LEU 56.A N TRP 45.A O no hydrogen 2.723 N/A THR 57.A N HIS 64.A O no hydrogen 2.985 N/A THR 57.A OG1 ALA 43.A O no hydrogen 2.740 N/A GLN 58.A NE2 LEU 23.A O no hydrogen 3.030 N/A THR 59.A N GLN 62.A O.A no hydrogen 2.944 N/A THR 59.A N GLN 62.A O.B no hydrogen 2.938 N/A THR 59.A OG1 GLN 62.A O.A no hydrogen 3.288 N/A THR 59.A OG1 GLN 62.A O.B no hydrogen 3.284 N/A THR 59.A OG1 HIS 64.A NE2 no hydrogen 3.277 N/A LEU 63.A N ILE 16.A O no hydrogen 2.921 N/A HIS 64.A N THR 57.A O no hydrogen 2.645 N/A CYS 65.A N ALA 14.A O no hydrogen 2.759 N/A CYS 65.A SG LEU 63.A O no hydrogen 3.671 N/A THR 66.A N THR 55.A O no hydrogen 3.152 N/A THR 66.A OG1 LEU 12.A O no hydrogen 2.894 N/A TYR 68.A N VAL 53.A O no hydrogen 3.014 N/A TYR 68.A OH THR 55.A OG1 no hydrogen 2.916 N/A ARG 69.A NE GLU 82.A OE2 no hydrogen 3.309 N/A ARG 69.A NH1 SER 76.A O no hydrogen 2.921 N/A ARG 69.A NH2 ARG 77.A O no hydrogen 3.309 N/A ARG 69.A NH2 GLU 82.A OE1 no hydrogen 2.784 N/A ARG 69.A NH2 GLU 82.A OE2 no hydrogen 3.463 N/A SER 76.A OG GLN 74.A O no hydrogen 2.803 N/A THR 79.A N GLU 82.A OE1 no hydrogen 2.863 N/A GLU 82.A N THR 79.A OG1 no hydrogen 3.108 N/A LEU 83.A N THR 79.A O no hydrogen 3.033 N/A GLU 84.A N ASP 81.A O no hydrogen 3.272 N/A ALA 85.A N GLU 82.A O no hydrogen 3.228 N/A ARG 87.A N LEU 83.A O no hydrogen 3.166 N/A ARG 87.A NH2 ASP 93.A OD1 no hydrogen 3.163 N/A LYS 88.A N GLU 84.A O no hydrogen 3.035 N/A TYR 89.A N ALA 85.A O no hydrogen 3.023 N/A PHE 90.A N VAL 86.A O no hydrogen 3.316 N/A GLN 91.A N LYS 88.A O no hydrogen 3.116 N/A GLN 91.A NE2 LEU 122.A O no hydrogen 2.672 N/A LEU 92.A N ARG 87.A O no hydrogen 3.151 N/A VAL 94.A N GLN 91.A O no hydrogen 2.990 N/A LEU 96.A N GLU 22.A OE1 no hydrogen 2.901 N/A LEU 96.A N GLU 22.A OE2 no hydrogen 3.243 N/A ALA 97.A N GLU 22.A OE2 no hydrogen 3.153 N/A LEU 99.A N THR 95.A O no hydrogen 3.385 N/A TYR 100.A N LEU 96.A O no hydrogen 2.763 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 3.197 N/A HIS 102.A N GLN 98.A O no hydrogen 3.056 N/A TRP 103.A N LEU 99.A O no hydrogen 2.964 N/A GLY 104.A N TYR 100.A O no hydrogen 2.951 N/A SER 105.A N HIS 101.A O no hydrogen 2.995 N/A SER 105.A OG HIS 101.A O no hydrogen 3.420 N/A SER 105.A OG HIS 102.A O no hydrogen 2.940 N/A VAL 106.A N TRP 103.A O no hydrogen 3.256 N/A PHE 110.A N ASP 107.A O no hydrogen 3.071 N/A VAL 113.A N PHE 110.A O no hydrogen 3.303 N/A ALA 114.A N PHE 110.A O no hydrogen 2.935 N/A PHE 117.A N ALA 114.A O no hydrogen 3.201 N/A ARG 121.A NE GLU 22.A O no hydrogen 2.653 N/A ARG 121.A NH1 PHE 90.A O no hydrogen 3.042 N/A ARG 121.A NH1 VAL 94.A O no hydrogen 3.202 N/A ARG 121.A NH2 GLU 22.A O no hydrogen 3.052 N/A ARG 121.A NH2 VAL 94.A O no hydrogen 2.878 N/A LEU 123.A N GLN 33.A OE1 no hydrogen 3.076 N/A ARG 124.A N TYR 89.A O no hydrogen 2.877 N/A ARG 124.A NE ASP 250.A OD1 no hydrogen 2.634 N/A ARG 124.A NE ASP 250.A OD2 no hydrogen 3.123 N/A ARG 124.A NH2 ASP 250.A OD2 no hydrogen 2.504 N/A GLN 125.A N MET 247.A O no hydrogen 3.040 N/A GLN 125.A NE2 GLN 33.A O no hydrogen 2.774 N/A GLU 129.A N ASP 126.A OD2 no hydrogen 3.346 N/A CYS 130.A N ASP 126.A O no hydrogen 3.028 N/A LEU 131.A N PRO 127.A O no hydrogen 2.833 N/A PHE 132.A N ILE 128.A O no hydrogen 3.206 N/A SER 133.A N GLU 129.A O no hydrogen 3.027 N/A SER 133.A OG GLU 129.A O no hydrogen 2.576 N/A PHE 134.A N CYS 130.A O no hydrogen 3.211 N/A ILE 135.A N LEU 131.A O no hydrogen 3.100 N/A CYS 136.A N PHE 132.A O no hydrogen 3.411 N/A CYS 136.A SG PHE 132.A O no hydrogen 3.238 N/A SER 137.A N PHE 134.A O no hydrogen 3.178 N/A SER 137.A OG PHE 134.A O no hydrogen 2.592 N/A ASN 140.A ND2 CYS 136.A O no hydrogen 2.842 N/A ARG 144.A N ASN 141.A O no hydrogen 2.739 N/A ARG 144.A N ASN 141.A OD1 no hydrogen 2.849 N/A ILE 145.A N ASN 141.A O no hydrogen 2.841 N/A THR 146.A N ILE 142.A O no hydrogen 2.988 N/A THR 146.A OG1 ILE 142.A O no hydrogen 2.475 N/A MET 148.A N ARG 144.A O no hydrogen 3.045 N/A VAL 149.A N ILE 145.A O no hydrogen 2.966 N/A GLU 150.A N THR 146.A O no hydrogen 3.145 N/A ARG 151.A N GLY 147.A O no hydrogen 2.989 N/A ARG 151.A NE LEU 189.A O no hydrogen 3.098 N/A ARG 151.A NH2 LEU 189.A O no hydrogen 2.649 N/A LEU 152.A N MET 148.A O no hydrogen 2.778 N/A CYS 153.A N VAL 149.A O no hydrogen 2.922 N/A CYS 153.A SG VAL 149.A O no hydrogen 3.284 N/A GLN 154.A N GLU 150.A O no hydrogen 3.014 N/A ALA 155.A N ARG 151.A O no hydrogen 3.105 N/A ALA 155.A N LEU 152.A O no hydrogen 3.311 N/A PHE 156.A N LEU 152.A O no hydrogen 3.105 N/A GLY 157.A N CYS 153.A O no hydrogen 2.831 N/A LEU 160.A N TYR 168.A O no hydrogen 2.910 N/A GLN 162.A NE2 ASP 164.A O no hydrogen 3.121 N/A LEU 163.A N VAL 166.A O no hydrogen 2.834 N/A VAL 166.A N LEU 163.A O no hydrogen 2.940 N/A TYR 168.A N ILE 161.A O no hydrogen 2.901 N/A TYR 168.A OH HIS 3.A NE2 no hydrogen 2.603 N/A HIS 169.A ND1 GLY 157.A O no hydrogen 3.011 N/A GLY 170.A N PRO 158.A O no hydrogen 3.028 N/A GLN 175.A N GLN 175.A OE1 no hydrogen 2.717 N/A LEU 177.A N SER 173.A O no hydrogen 3.146 N/A GLY 179.A N ALA 176.A O no hydrogen 3.339 N/A HIS 185.A N GLU 181.A O no hydrogen 3.178 N/A HIS 185.A ND1 HIS 185.A O no hydrogen 2.693 N/A LEU 186.A N VAL 182.A O no hydrogen 2.879 N/A ARG 187.A N GLU 183.A O no hydrogen 3.041 N/A ARG 187.A NH1 GLU 183.A OE2 no hydrogen 2.948 N/A LYS 188.A N ALA 184.A O no hydrogen 3.384 N/A LEU 189.A N LEU 186.A O no hydrogen 3.023 N/A GLY 190.A N ARG 187.A O no hydrogen 3.162 N/A LEU 191.A N LEU 186.A O no hydrogen 3.487 N/A ARG 194.A NE LEU 191.A O no hydrogen 2.784 N/A ARG 194.A NH1 SER 138.A O no hydrogen 2.551 N/A ARG 194.A NH2 LEU 191.A O no hydrogen 3.540 N/A ALA 195.A N GLY 192.A O no hydrogen 3.084 N/A ARG 196.A N TYR 193.A O no hydrogen 3.149 N/A VAL 198.A N ARG 194.A O no hydrogen 3.187 N/A SER 199.A N ALA 195.A O no hydrogen 3.428 N/A ALA 200.A N ARG 196.A O no hydrogen 2.771 N/A SER 201.A N TYR 197.A O no hydrogen 2.802 N/A SER 201.A OG TYR 197.A O no hydrogen 3.170 N/A SER 201.A OG PRO 234.A O no hydrogen 2.638 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 3.161 N/A ARG 203.A NE ALA 178.A O no hydrogen 2.995 N/A ARG 203.A NH2 ALA 178.A O no hydrogen 3.477 N/A ARG 203.A NH2 GLY 179.A O no hydrogen 2.911 N/A ALA 204.A N ALA 200.A O no hydrogen 2.802 N/A ILE 205.A N SER 201.A O no hydrogen 3.066 N/A LEU 206.A N ALA 202.A O no hydrogen 3.359 N/A GLU 207.A N ARG 203.A O no hydrogen 2.882 N/A GLU 208.A N ALA 204.A O no hydrogen 3.105 N/A GLN 209.A N ILE 205.A O no hydrogen 3.404 N/A GLY 211.A N ILE 205.A O no hydrogen 2.928 N/A TRP 214.A N GLY 211.A O no hydrogen 3.076 N/A GLN 216.A N LEU 212.A O no hydrogen 3.043 N/A GLN 217.A N ALA 213.A O no hydrogen 3.015 N/A LEU 218.A N LEU 215.A O no hydrogen 3.190 N/A ARG 219.A N GLN 216.A O no hydrogen 3.154 N/A ARG 219.A NE ALA 248.A O no hydrogen 3.000 N/A ARG 219.A NH2 ALA 248.A O no hydrogen 3.384 N/A GLU 220.A N.A GLN 217.A O no hydrogen 3.187 N/A GLU 220.A N.B GLN 217.A O no hydrogen 3.187 N/A SER 221.A OG GLN 217.A O no hydrogen 3.340 N/A TYR 223.A OH ASP 242.A OD1 no hydrogen 2.419 N/A GLU 225.A N SER 222.A OG no hydrogen 3.204 N/A ALA 226.A N SER 222.A O no hydrogen 2.879 N/A HIS 227.A N TYR 223.A O no hydrogen 2.899 N/A LYS 228.A N GLU 224.A O no hydrogen 3.146 N/A ALA 229.A N GLU 225.A O no hydrogen 3.168 N/A LEU 230.A N ALA 226.A O no hydrogen 3.001 N/A CYS 231.A N HIS 227.A O no hydrogen 3.180 N/A CYS 231.A SG HIS 227.A NE2 no hydrogen 3.843 N/A CYS 231.A SG HIS 227.A O no hydrogen 3.612 N/A ILE 232.A N ALA 229.A O no hydrogen 3.434 N/A LEU 233.A N LEU 230.A O no hydrogen 3.047 N/A VAL 236.A N LEU 233.A O no hydrogen 3.307 N/A LYS 239.A NZ ASP 258.A OD1 no hydrogen 3.381 N/A ALA 241.A N GLY 237.A O no hydrogen 2.867 N/A ASP 242.A N THR 238.A O no hydrogen 3.092 N/A CYS 243.A N LYS 239.A O no hydrogen 3.235 N/A CYS 243.A SG LYS 239.A O no hydrogen 3.354 N/A ILE 244.A N VAL 240.A O no hydrogen 3.134 N/A CYS 245.A N ALA 241.A O no hydrogen 3.033 N/A CYS 245.A SG ALA 241.A O no hydrogen 3.366 N/A LEU 246.A N ASP 242.A O no hydrogen 2.938 N/A MET 247.A N CYS 243.A O no hydrogen 2.939 N/A ALA 248.A N ILE 244.A O no hydrogen 2.748 N/A LEU 249.A N ILE 244.A O no hydrogen 3.250 N/A LEU 249.A N CYS 245.A O no hydrogen 3.311 N/A LYS 251.A N CYS 245.A O no hydrogen 3.168 N/A LYS 251.A NZ LEU 218.A O no hydrogen 3.152 N/A LYS 251.A NZ ARG 219.A O no hydrogen 3.277 N/A LYS 251.A NZ SER 221.A O no hydrogen 3.070 N/A LYS 251.A NZ LEU 249.A O no hydrogen 2.513 N/A GLN 253.A N GLN 253.A OE1 no hydrogen 2.630 N/A ALA 254.A N LYS 251.A O no hydrogen 3.222 N/A HIS 260.A NE2 ASP 312.A OD2 no hydrogen 2.799 N/A MET 261.A N ASP 258.A OD2 no hydrogen 2.970 N/A TRP 262.A N ASP 258.A O no hydrogen 3.180 N/A TRP 262.A NE1 ASN 286.A OD1 no hydrogen 2.912 N/A HIS 263.A N.A VAL 259.A O no hydrogen 3.097 N/A HIS 263.A N.B VAL 259.A O no hydrogen 3.097 N/A ILE 264.A N HIS 260.A O no hydrogen 3.301 N/A ALA 265.A N MET 261.A O no hydrogen 3.007 N/A GLN 266.A N TRP 262.A O no hydrogen 3.002 N/A ARG 267.A N HIS 263.A O.A no hydrogen 3.159 N/A ARG 267.A N HIS 263.A O.B no hydrogen 3.178 N/A ASP 268.A N ILE 264.A O no hydrogen 3.102 N/A TYR 269.A OH ASP 107.A OD1 no hydrogen 3.185 N/A TYR 269.A OH ASP 107.A OD2 no hydrogen 2.590 N/A SER 270.A N GLN 266.A O no hydrogen 3.176 N/A TRP 271.A N ALA 265.A O no hydrogen 2.847 N/A THR 274.A N GLU 288.A OE2 no hydrogen 2.857 N/A THR 274.A OG1 GLU 288.A OE2 no hydrogen 2.987 N/A THR 275.A N GLU 288.A OE1 no hydrogen 3.064 N/A THR 275.A N GLU 288.A OE2 no hydrogen 3.422 N/A THR 275.A OG1 GLU 288.A OE1 no hydrogen 2.499 N/A SER 282.A OG THR 285.A OG1 no hydrogen 3.223 N/A GLN 284.A NE2 THR 275.A OG1 no hydrogen 2.949 N/A THR 285.A N SER 282.A OG no hydrogen 3.216 N/A THR 285.A OG1 GLY 280.A O no hydrogen 2.927 N/A THR 285.A OG1 SER 282.A O no hydrogen 2.968 N/A THR 285.A OG1 SER 282.A OG no hydrogen 3.223 N/A ASN 286.A N SER 282.A O no hydrogen 2.624 N/A LYS 287.A N PRO 283.A O no hydrogen 3.318 N/A GLU 288.A N GLN 284.A O no hydrogen 3.248 N/A LEU 289.A N THR 285.A O no hydrogen 2.909 N/A GLY 290.A N ASN 286.A O no hydrogen 3.136 N/A ASN 291.A N LYS 287.A O no hydrogen 3.207 N/A PHE 292.A N GLU 288.A O no hydrogen 3.092 N/A PHE 293.A N LEU 289.A O no hydrogen 3.291 N/A ARG 294.A N GLY 290.A O no hydrogen 3.094 N/A ARG 294.A NH1 GLN 253.A O no hydrogen 2.712 N/A ARG 294.A NH2 ASN 291.A OD1 no hydrogen 3.136 N/A SER 295.A N ASN 291.A O no hydrogen 2.786 N/A TRP 297.A N PHE 293.A O no hydrogen 2.862 N/A GLY 298.A N ARG 294.A O no hydrogen 3.016 N/A ALA 301.A N GLY 298.A O no hydrogen 3.125 N/A GLY 302.A N PRO 252.A O no hydrogen 2.905 N/A ALA 304.A N TYR 300.A O no hydrogen 3.182 N/A GLN 305.A N ALA 301.A O no hydrogen 2.957 N/A ALA 306.A N GLY 302.A O no hydrogen 3.270 N/A VAL 307.A N ALA 304.A O no hydrogen 3.045 N/A LEU 308.A N ALA 304.A O no hydrogen 3.171 N/A PHE 309.A N GLN 305.A O no hydrogen 2.857 N/A SER 310.A N ALA 306.A O no hydrogen 3.237 N/A ALA 311.A N VAL 307.A O no hydrogen 3.180 N/A ASP 312.A N LEU 308.A O no hydrogen 3.089 N/A ASP 312.A N PHE 309.A O no hydrogen 3.272 N/A LEU 313.A N PHE 309.A O no hydrogen 3.354 N/A