Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6ki3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLN 267.A OE1 no hydrogen 2.838 N/A MET 3.A N CYS 268.A O no hydrogen 3.163 N/A GLY 5.A N ALA 270.A O no hydrogen 2.870 N/A ALA 6.A N TYR 30.A OH no hydrogen 2.998 N/A PHE 7.A N LEU 272.A O no hydrogen 2.850 N/A VAL 8.A N GLN 45.A O no hydrogen 2.873 N/A ARG 11.A NH1 GLY 277.A O no hydrogen 2.592 N/A ARG 11.A NH2 LEU 276.A O no hydrogen 3.197 N/A LEU 12.A N SER 9.A OG no hydrogen 3.090 N/A SER 14.A N HIS 10.A O no hydrogen 3.015 N/A SER 14.A OG HIS 10.A O no hydrogen 3.094 N/A SER 14.A OG CYS 22.A O no hydrogen 2.956 N/A ASP 15.A N ASN 25.A OD1 no hydrogen 2.814 N/A CYS 18.A SG ASP 15.A O no hydrogen 3.600 N/A THR 19.A OG1 CYS 18.A O no hydrogen 2.714 N/A THR 20.A N THR 19.A OG1 no hydrogen 2.325 N/A THR 20.A OG1 ASP 61.A OD2 no hydrogen 3.108 N/A THR 21.A N CYS 18.A O no hydrogen 3.141 N/A CYS 22.A SG THR 19.A O no hydrogen 3.388 N/A ILE 23.A N ASP 62.A OD2 no hydrogen 2.815 N/A THR 24.A N ASP 62.A OD1 no hydrogen 3.008 N/A THR 24.A OG1 ASP 62.A O no hydrogen 3.280 N/A THR 24.A OG1 ASP 62.A OD1 no hydrogen 2.679 N/A ASN 25.A N THR 21.A O no hydrogen 2.991 N/A ASN 25.A ND2 ASP 15.A OD2 no hydrogen 2.932 N/A SER 26.A N CYS 22.A O no hydrogen 2.908 N/A SER 26.A OG CYS 22.A O no hydrogen 3.248 N/A SER 26.A OG ILE 23.A O no hydrogen 2.460 N/A ILE 27.A N ILE 23.A O no hydrogen 2.955 N/A ALA 28.A N THR 24.A O no hydrogen 2.849 N/A ASN 29.A N ASN 25.A O no hydrogen 3.057 N/A ASN 29.A ND2 TRP 13.A O no hydrogen 2.662 N/A ASN 29.A ND2 ASP 15.A OD1 no hydrogen 3.358 N/A ASN 29.A ND2 ASP 15.A OD2 no hydrogen 3.256 N/A ASN 29.A ND2 ASN 25.A OD1 no hydrogen 3.615 N/A TYR 30.A N SER 26.A O no hydrogen 2.828 N/A TYR 30.A OH SER 43A.A O no hydrogen 2.573 N/A VAL 31.A N ILE 27.A O no hydrogen 2.732 N/A ALA 32.A N ALA 28.A O no hydrogen 2.979 N/A PHE 33.A N ASN 29.A O no hydrogen 2.900 N/A GLY 34.A N TYR 30.A O no hydrogen 3.272 N/A GLU 35.A N VAL 31.A O no hydrogen 3.183 N/A GLN 36.A N ALA 32.A O no hydrogen 3.113 N/A GLY 38.A N GLU 35.A O no hydrogen 3.357 N/A PHE 39.A N GLY 34.A O no hydrogen 2.978 N/A LYS 42.A N PHE 4.A O no hydrogen 3.042 N/A ALA 44.A N TRP 76.A O no hydrogen 3.236 N/A GLN 45.A N ALA 6.A O no hydrogen 3.214 N/A GLN 45.A NE2 GLU 273.A OE1 no hydrogen 3.103 N/A VAL 46.A N VAL 78.A O no hydrogen 3.209 N/A GLY 50.A N VAL 55.A O no hydrogen 3.052 N/A VAL 55.A N LYS 53.A O no hydrogen 2.759 N/A ASN 57.A N ILE 48.A O no hydrogen 2.788 N/A ILE 58.A N ILE 48.A O no hydrogen 3.292 N/A LYS 63.A N GLN 59.A O no hydrogen 2.813 N/A VAL 64.A N GLU 60.A O no hydrogen 3.109 N/A GLU 65.A N ASP 61.A O no hydrogen 3.032 N/A LEU 66.A N ASP 62.A O no hydrogen 2.805 N/A LEU 67.A N LYS 63.A O no hydrogen 3.477 N/A LYS 68.A N VAL 64.A O no hydrogen 3.394 N/A LYS 68.A NZ GLU 65.A OE1 no hydrogen 3.337 N/A LYS 68.A NZ GLU 65.A OE2 no hydrogen 3.011 N/A MET 69.A N GLU 65.A O no hydrogen 2.834 N/A ILE 70.A N LEU 66.A O no hydrogen 2.861 N/A VAL 71.A N LEU 67.A O no hydrogen 3.032 N/A LYS 72.A N LYS 68.A O no hydrogen 2.860 N/A HIS 73.A N MET 69.A O no hydrogen 3.246 N/A ASN 74.A N VAL 71.A O no hydrogen 3.199 N/A LEU 75.A N ILE 70.A O no hydrogen 2.999 N/A TRP 76.A N LYS 42.A O no hydrogen 2.970 N/A VAL 78.A N ALA 44.A O no hydrogen 3.105 N/A ALA 79.A N GLY 113.A O no hydrogen 2.920 N/A HIS 80.A N VAL 46.A O no hydrogen 2.899 N/A HIS 80.A ND1 GLY 81.A O no hydrogen 2.714 N/A HIS 80.A NE2 HIS 117.A NE2 no hydrogen 3.020 N/A GLY 81.A N VAL 115.A O no hydrogen 2.825 N/A THR 82.A N ASP 85.A OD2 no hydrogen 2.846 N/A THR 82.A OG1 ASP 85.A OD1 no hydrogen 2.992 N/A TYR 83.A N PRO 51.A O no hydrogen 2.680 N/A LEU 84.A N THR 82.A OG1 no hydrogen 3.269 N/A ASP 85.A N THR 82.A O no hydrogen 3.283 N/A VAL 86.A N LEU 84.A O no hydrogen 2.896 N/A SER 89.A N VAL 86.A O no hydrogen 3.231 N/A SER 89.A OG VAL 86.A O no hydrogen 2.883 N/A SER 92.A OG PRO 87.A O no hydrogen 3.388 N/A SER 92.A OG SER 89.A O no hydrogen 3.174 N/A THR 96.A N SER 92.A O no hydrogen 2.870 N/A THR 96.A OG1 SER 92.A O no hydrogen 3.478 N/A HIS 97.A N ALA 93.A O no hydrogen 3.425 N/A PHE 98.A N PHE 94.A O no hydrogen 3.420 N/A ILE 99.A N VAL 95.A O no hydrogen 3.177 N/A GLN 100.A N THR 96.A O no hydrogen 3.052 N/A GLN 100.A NE2 LYS 134.A O no hydrogen 2.919 N/A GLN 101.A N HIS 97.A O no hydrogen 3.226 N/A GLU 102.A N PHE 98.A O no hydrogen 3.237 N/A LEU 103.A N ILE 99.A O no hydrogen 3.008 N/A LEU 104.A N GLN 100.A O no hydrogen 3.160 N/A ILE 105.A N GLN 101.A O no hydrogen 2.939 N/A CYS 106.A N GLU 102.A O no hydrogen 2.752 N/A CYS 106.A SG GLU 102.A O no hydrogen 3.186 N/A LYS 107.A N LEU 103.A O no hydrogen 3.331 N/A GLU 108.A N LEU 104.A O no hydrogen 3.228 N/A VAL 109.A N ILE 105.A O no hydrogen 3.221 N/A ILE 111.A N CYS 106.A O no hydrogen 2.812 N/A LYS 112.A N VAL 77.A O no hydrogen 2.766 N/A LEU 114.A N VAL 140.A O no hydrogen 2.954 N/A VAL 115.A N ALA 79.A O no hydrogen 2.861 N/A LEU 116.A N TYR 142.A O no hydrogen 2.978 N/A HIS 117.A NE2 HIS 80.A NE2 no hydrogen 3.020 N/A LEU 118.A N GLU 144.A O no hydrogen 3.392 N/A ILE 126.A N GLU 122.A O no hydrogen 3.133 N/A VAL 127.A N PRO 123.A O no hydrogen 2.989 N/A GLU 128.A N GLU 124.A O no hydrogen 3.010 N/A GLY 129.A N LEU 125.A O no hydrogen 3.209 N/A LEU 130.A N ILE 126.A O no hydrogen 3.022 N/A LYS 131.A N VAL 127.A O no hydrogen 2.907 N/A LYS 132.A N GLY 129.A O no hydrogen 3.300 N/A ILE 133.A N LEU 130.A O no hydrogen 3.078 N/A VAL 139.A N VAL 136.A O no hydrogen 3.115 N/A VAL 140.A N LYS 112.A O no hydrogen 3.094 N/A ILE 141.A N GLN 175.A O no hydrogen 3.057 N/A TYR 142.A N LEU 114.A O no hydrogen 2.866 N/A LEU 143.A N GLY 177.A O no hydrogen 2.933 N/A GLU 144.A N LEU 116.A O no hydrogen 2.915 N/A THR 145.A N CYS 179.A O no hydrogen 2.949 N/A THR 145.A OG1 ASP 181.A O no hydrogen 3.359 N/A HIS 147.A ND1 GLY 231.A O no hydrogen 3.133 N/A ASN 148.A ND2 TYR 153.A O no hydrogen 3.158 N/A LYS 149.A NZ GLY 229.A O no hydrogen 2.651 N/A HIS 151.A N ASN 148.A OD1 no hydrogen 3.298 N/A TYR 153.A OH GLU 163.A OE1 no hydrogen 2.918 N/A TYR 153.A OH GLU 163.A OE2 no hydrogen 3.107 N/A LYS 154.A N GLN 160.A OE1 no hydrogen 2.818 N/A LYS 154.A NZ ASN 148.A OD1 no hydrogen 2.849 N/A LYS 154.A NZ LYS 149.A O no hydrogen 2.838 N/A LYS 154.A NZ HIS 151.A O no hydrogen 2.477 N/A TYR 155.A N GLN 160.A OE1 no hydrogen 2.836 N/A TYR 155.A OH VAL 121.A O no hydrogen 2.990 N/A SER 156.A OG LYS 154.A O no hydrogen 3.433 N/A GLN 160.A NE2 THR 152.A O no hydrogen 2.850 N/A ILE 161.A N THR 157.A O no hydrogen 2.976 N/A LYS 162.A N MET 158.A O no hydrogen 2.762 N/A GLU 163.A N GLU 159.A O no hydrogen 3.046 N/A LEU 164.A N GLN 160.A O no hydrogen 3.189 N/A PHE 165.A N ILE 161.A O no hydrogen 3.151 N/A LEU 166.A N LYS 162.A O no hydrogen 3.120 N/A ARG 167.A N GLU 163.A O no hydrogen 3.258 N/A ILE 168.A N LEU 164.A O no hydrogen 2.965 N/A ARG 169.A N PHE 165.A O no hydrogen 2.865 N/A ARG 169.A NH1 SER 210.A O no hydrogen 3.011 N/A ASN 170.A N LEU 166.A O no hydrogen 2.840 N/A THR 171.A N ARG 167.A O no hydrogen 3.244 N/A THR 171.A OG1 ARG 167.A O no hydrogen 2.382 N/A ARG 172.A N ARG 169.A O no hydrogen 3.110 N/A GLN 175.A NE2 VAL 136.A O no hydrogen 2.672 N/A GLY 177.A N ILE 141.A O no hydrogen 2.677 N/A LEU 178.A N HIS 216.A O no hydrogen 2.831 N/A CYS 179.A N LEU 143.A O no hydrogen 2.803 N/A ILE 180.A N MET 218.A O no hydrogen 2.937 N/A ASP 181.A N THR 145.A OG1 no hydrogen 2.959 N/A THR 182.A N HIS 220.A O no hydrogen 3.182 N/A THR 182.A OG1 HIS 220.A O no hydrogen 3.327 N/A THR 182.A OG1 ASN 222.A O no hydrogen 2.664 N/A ALA 183.A N ASP 181.A OD1 no hydrogen 3.179 N/A HIS 184.A N ASP 181.A O no hydrogen 2.983 N/A HIS 184.A ND1 THR 145.A O no hydrogen 2.751 N/A ILE 185.A N ASP 181.A O no hydrogen 3.198 N/A TRP 186.A N THR 182.A O no hydrogen 3.126 N/A TRP 186.A NE1 THR 226.A O no hydrogen 2.983 N/A SER 187.A N ALA 183.A O no hydrogen 3.100 N/A SER 187.A OG ILE 232.A O no hydrogen 3.040 N/A SER 188.A N HIS 184.A O no hydrogen 2.760 N/A SER 188.A OG PRO 146.A O no hydrogen 3.225 N/A SER 188.A OG HIS 184.A O no hydrogen 3.226 N/A GLY 189.A N TRP 186.A O no hydrogen 2.971 N/A VAL 190.A N ILE 185.A O no hydrogen 2.788 N/A SER 193.A N ASN 191.A OD1 no hydrogen 3.009 N/A SER 193.A OG ASN 191.A OD1 no hydrogen 3.303 N/A SER 193.A OG ILE 243.A O no hydrogen 3.081 N/A TYR 195.A N GLN 253.A O no hydrogen 2.991 N/A TYR 195.A OH GLU 261.A OE1 no hydrogen 2.799 N/A ASP 197.A N SER 194.A OG no hydrogen 3.063 N/A ALA 198.A N SER 194.A O no hydrogen 3.100 N/A GLY 199.A N TYR 195.A O no hydrogen 2.778 N/A GLN 200.A N ASN 196.A O no hydrogen 2.904 N/A TRP 201.A NE1 SER 156.A O no hydrogen 2.870 N/A LEU 202.A N ALA 198.A O no hydrogen 2.726 N/A ARG 203.A N GLY 199.A O no hydrogen 2.836 N/A SER 204.A N GLN 200.A O no hydrogen 3.155 N/A SER 204.A OG GLN 200.A O no hydrogen 3.379 N/A SER 204.A OG TRP 201.A O no hydrogen 2.538 N/A LEU 205.A N TRP 201.A O no hydrogen 3.110 N/A GLU 206.A N LEU 202.A O no hydrogen 3.094 N/A ASN 207.A N ARG 203.A O no hydrogen 2.976 N/A ILE 208.A N LEU 205.A O no hydrogen 3.133 N/A HIS 209.A N GLU 206.A O no hydrogen 3.097 N/A VAL 211.A N ILE 208.A O no hydrogen 2.970 N/A ILE 212.A N ILE 208.A O no hydrogen 3.103 N/A SER 215.A OG HIS 216.A ND1 no hydrogen 3.016 N/A HIS 216.A N PRO 213.A O no hydrogen 2.939 N/A HIS 216.A ND1 SER 215.A OG no hydrogen 3.016 N/A ILE 217.A N PRO 214.A O no hydrogen 3.302 N/A MET 218.A N LEU 178.A O no hydrogen 2.905 N/A PHE 219.A N PRO 269.A O no hydrogen 2.882 N/A HIS 220.A N ILE 180.A O no hydrogen 2.911 N/A HIS 220.A ND1 GLU 144.A OE1 no hydrogen 3.198 N/A HIS 220.A ND1 ASP 181.A OD2 no hydrogen 3.207 N/A HIS 220.A NE2 GLN 45.A OE1 no hydrogen 2.982 N/A LEU 221.A N ILE 271.A O no hydrogen 2.883 N/A ASN 222.A N THR 182.A OG1 no hydrogen 3.069 N/A ASN 222.A ND2 ASP 181.A OD1 no hydrogen 3.164 N/A ASN 222.A ND2 GLU 273.A OE2 no hydrogen 2.699 N/A ASP 223.A N ALA 236.A O no hydrogen 3.084 N/A ALA 224.A N ASP 223.A OD1 no hydrogen 2.607 N/A ALA 225.A N ARG 234.A O no hydrogen 2.740 N/A THR 226.A OG1 SER 230.A OG no hydrogen 2.990 N/A CYS 228.A SG TRP 186.A O no hydrogen 3.710 N/A GLY 229.A N TRP 186.A O no hydrogen 3.107 N/A SER 230.A N GLU 227.A O no hydrogen 3.019 N/A SER 230.A OG THR 226.A OG1 no hydrogen 2.990 N/A SER 230.A OG ILE 232.A O no hydrogen 3.420 N/A GLY 231.A N SER 187.A O no hydrogen 2.992 N/A ILE 232.A N SER 230.A OG no hydrogen 2.869 N/A ARG 234.A NE ASP 233.A O no hydrogen 2.594 N/A HIS 235.A ND1 GLU 273.A O no hydrogen 3.299 N/A ALA 236.A N ASP 223.A O no hydrogen 2.809 N/A SER 237.A OG GLU 289.A OE1 no hydrogen 2.799 N/A LEU 238.A N GLU 289.A OE2 no hydrogen 2.987 N/A GLU 240.A N SER 237.A O no hydrogen 2.932 N/A GLY 241.A N ASP 223.A OD2 no hydrogen 3.212 N/A MET 242.A N ALA 224.A O no hydrogen 2.590 N/A ILE 243.A N ASP 223.A OD1 no hydrogen 3.018 N/A TRP 244.A NE1 ILE 192.A O no hydrogen 3.073 N/A LYS 245.A N GLY 241.A O no hydrogen 3.135 N/A TYR 247.A N TRP 244.A O no hydrogen 3.070 N/A SER 248.A N LYS 245.A O no hydrogen 3.361 N/A SER 248.A OG LYS 245.A O no hydrogen 3.102 N/A GLN 253.A N LYS 250.A O no hydrogen 3.376 N/A SER 254.A N ILE 251.A O no hydrogen 3.447 N/A SER 254.A OG ILE 251.A O no hydrogen 2.589 N/A GLY 255.A N SER 193.A O no hydrogen 2.676 N/A TYR 257.A N SER 254.A OG no hydrogen 3.397 N/A PHE 259.A N GLY 255.A O no hydrogen 3.200 N/A VAL 260.A N LEU 256.A O no hydrogen 2.776 N/A GLU 261.A N TYR 257.A O no hydrogen 3.035 N/A TYR 262.A N CYS 258.A O no hydrogen 3.201 N/A ILE 263.A N PHE 259.A O no hydrogen 2.954 N/A THR 264.A N VAL 260.A O no hydrogen 2.875 N/A THR 264.A OG1 VAL 260.A O no hydrogen 2.985 N/A ARG 265.A N GLU 261.A O no hydrogen 2.948 N/A HIS 266.A N TYR 262.A O no hydrogen 3.106 N/A HIS 266.A NE2 GLU 206.A OE2 no hydrogen 3.211 N/A GLN 267.A N THR 264.A O no hydrogen 3.215 N/A CYS 268.A N ILE 263.A O no hydrogen 3.072 N/A CYS 268.A SG PRO 214.A O no hydrogen 3.575 N/A CYS 268.A SG ILE 217.A O no hydrogen 3.401 N/A CYS 268.A SG HIS 266.A O no hydrogen 3.942 N/A ALA 270.A N MET 3.A O no hydrogen 2.734 N/A ILE 271.A N PHE 219.A O no hydrogen 2.815 N/A LEU 272.A N GLY 5.A O no hydrogen 2.918 N/A GLU 273.A N ASN 222.A OD1 no hydrogen 2.976 N/A ARG 274.A NE GLU 289.A OE1 no hydrogen 2.960 N/A ARG 274.A NE GLU 289.A OE2 no hydrogen 2.978 N/A ARG 274.A NH1 ASN 222.A OD1 no hydrogen 2.874 N/A ARG 274.A NH1 GLU 273.A O no hydrogen 2.698 N/A ARG 274.A NH2 LEU 221.A O no hydrogen 2.848 N/A ARG 274.A NH2 GLU 289.A OE2 no hydrogen 2.801 N/A LEU 282.A N SER 278.A O no hydrogen 3.291 N/A GLN 283.A N SER 279.A O no hydrogen 2.941 N/A GLN 283.A NE2 SER 279.A OG no hydrogen 2.672 N/A THR 284.A N MET 280.A O no hydrogen 3.001 N/A THR 284.A OG1 MET 280.A O no hydrogen 2.862 N/A ALA 285.A N GLN 281.A O no hydrogen 3.061 N/A LEU 286.A N LEU 282.A O no hydrogen 2.991 N/A THR 287.A N GLN 283.A O no hydrogen 2.960 N/A THR 287.A OG1 GLN 283.A O no hydrogen 2.965 N/A THR 287.A OG1 THR 284.A O no hydrogen 2.626 N/A ALA 288.A N THR 284.A O no hydrogen 3.342 N/A GLU 289.A N ALA 285.A O no hydrogen 3.104 N/A PHE 290.A N LEU 286.A O no hydrogen 2.794 N/A THR 291.A N THR 287.A O no hydrogen 3.152 N/A THR 291.A OG1 THR 287.A O no hydrogen 2.613 N/A THR 291.A OG1 ALA 288.A O no hydrogen 3.015 N/A THR 292.A N ALA 288.A O no hydrogen 3.208 N/A THR 292.A OG1 ALA 288.A O no hydrogen 2.911 N/A LEU 293.A N GLU 289.A O no hydrogen 2.897 N/A LYS 294.A N PHE 290.A O no hydrogen 2.764 N/A SER 295.A N THR 291.A O no hydrogen 2.960 N/A SER 295.A OG THR 291.A O no hydrogen 2.730 N/A LEU 296.A N THR 292.A O no hydrogen 3.180 N/A LEU 297.A N LYS 294.A O no hydrogen 3.341 N/A LYS 298.A N LYS 294.A O no hydrogen 2.924 N/A SER 43A.A N PHE 4.A O no hydrogen 3.262 N/A SER 43A.A OG MET 3.A O no hydrogen 3.000 N/A SER 43A.A OG ALA 270.A O no hydrogen 3.320 N/A