Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ki8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N THR 283.A O no hydrogen 2.620 N/A LEU 5.A N LEU 107.A O no hydrogen 2.802 N/A ARG 6.A NH1 TYR 8.A OH no hydrogen 2.720 N/A VAL 7.A N LEU 109.A O no hydrogen 3.040 N/A TYR 8.A N ASN 152.A O no hydrogen 2.611 N/A ILE 9.A N PHE 111.A O no hydrogen 2.892 N/A ASP 10.A N VAL 154.A O no hydrogen 2.847 N/A GLY 11.A N ASP 10.A OD1 no hydrogen 2.760 N/A HIS 13.A ND1 TYR 122.A OH no hydrogen 2.570 N/A LYS 17.A NZ GLU 34.A OE2 no hydrogen 2.901 N/A THR 20.A N GLY 16.A O no hydrogen 3.032 N/A THR 21.A N LYS 17.A O no hydrogen 3.038 N/A GLN 22.A N THR 18.A O no hydrogen 2.997 N/A LEU 23.A N THR 19.A O no hydrogen 3.183 N/A LEU 27.A N GLN 22.A O no hydrogen 3.387 N/A VAL 30.A N THR 108.A O no hydrogen 2.755 N/A TYR 31.A OH ASP 112.A OD1 no hydrogen 2.842 N/A VAL 32.A N ILE 110.A O no hydrogen 2.551 N/A MET 36.A N GLU 34.A O no hydrogen 2.551 N/A THR 37.A N MET 305.A O no hydrogen 2.904 N/A THR 37.A OG1 MET 305.A O no hydrogen 3.049 N/A THR 37.A OG1 GLY 306.A O no hydrogen 3.384 N/A THR 37.A OG1 GLU 307.A OE1 no hydrogen 3.089 N/A TYR 38.A N PRO 35.A O no hydrogen 2.788 N/A TRP 39.A N PRO 35.A O no hydrogen 3.027 N/A TRP 39.A NE1 MET 79.A O no hydrogen 2.723 N/A ARG 40.A N MET 36.A O no hydrogen 2.787 N/A ARG 40.A NE GLU 307.A OE2 no hydrogen 3.009 N/A VAL 41.A N THR 37.A O no hydrogen 2.862 N/A LEU 42.A N THR 37.A O no hydrogen 2.970 N/A GLY 43.A N TYR 38.A O no hydrogen 2.843 N/A GLU 46.A N ARG 40.A O no hydrogen 2.930 N/A THR 47.A N TRP 39.A O no hydrogen 3.136 N/A THR 47.A OG1 TRP 39.A O no hydrogen 2.543 N/A ASN 50.A N GLU 46.A O no hydrogen 2.857 N/A ILE 51.A N THR 47.A O no hydrogen 2.869 N/A TYR 52.A N ILE 48.A O no hydrogen 3.017 N/A TYR 52.A OH HIS 13.A NE2 no hydrogen 2.924 N/A THR 53.A N ALA 49.A O no hydrogen 2.838 N/A THR 53.A OG1 ALA 49.A O no hydrogen 2.685 N/A THR 54.A N ASN 50.A O no hydrogen 2.972 N/A THR 54.A OG1 ASN 50.A O no hydrogen 2.749 N/A GLN 55.A N ILE 51.A O no hydrogen 3.195 N/A GLN 55.A NE2 ASP 59.A OD1 no hydrogen 3.238 N/A GLN 55.A NE2 MET 129.A O no hydrogen 3.402 N/A HIS 56.A N TYR 52.A O no hydrogen 3.401 N/A ARG 57.A N THR 53.A O no hydrogen 2.882 N/A ARG 57.A NE THR 53.A O no hydrogen 3.462 N/A LEU 58.A N THR 54.A O no hydrogen 2.875 N/A ASP 59.A N GLN 55.A O no hydrogen 2.592 N/A GLN 60.A N HIS 56.A O no hydrogen 2.850 N/A GLY 61.A N LEU 58.A O no hydrogen 2.786 N/A GLU 62.A N ARG 57.A O no hydrogen 2.647 N/A ASP 67.A N SER 64.A O no hydrogen 2.982 N/A ASP 67.A N SER 64.A OG no hydrogen 3.262 N/A ALA 68.A N SER 64.A O no hydrogen 3.147 N/A ALA 69.A N ALA 65.A O no hydrogen 3.177 N/A VAL 70.A N GLY 66.A O no hydrogen 3.200 N/A VAL 71.A N ASP 67.A O no hydrogen 3.209 N/A MET 72.A N ALA 68.A O no hydrogen 2.776 N/A THR 73.A N ALA 69.A O no hydrogen 2.900 N/A THR 73.A OG1 ALA 69.A O no hydrogen 2.841 N/A SER 74.A N VAL 70.A O no hydrogen 2.943 N/A ALA 75.A N VAL 71.A O no hydrogen 2.853 N/A GLN 76.A N MET 72.A O no hydrogen 2.951 N/A GLN 76.A NE2 ALA 118.A O no hydrogen 3.215 N/A ILE 77.A N THR 73.A O no hydrogen 3.182 N/A ILE 77.A N SER 74.A O no hydrogen 3.066 N/A THR 78.A N SER 74.A O no hydrogen 3.257 N/A THR 78.A OG1 SER 74.A O no hydrogen 3.279 N/A MET 79.A N ALA 75.A O no hydrogen 2.903 N/A TYR 83.A OH ASP 112.A O no hydrogen 3.149 N/A ALA 84.A N GLY 80.A O no hydrogen 2.841 N/A VAL 85.A N MET 81.A O no hydrogen 3.039 N/A THR 86.A N PRO 82.A O no hydrogen 3.073 N/A THR 86.A OG1 PRO 82.A O no hydrogen 2.759 N/A ASP 87.A N TYR 83.A O no hydrogen 2.977 N/A ALA 88.A N ALA 84.A O no hydrogen 3.041 N/A VAL 89.A N VAL 85.A O no hydrogen 2.923 N/A LEU 90.A N THR 86.A O no hydrogen 3.034 N/A ALA 91.A N ASP 87.A O no hydrogen 2.751 N/A HIS 93.A N LEU 90.A O no hydrogen 2.973 N/A ILE 94.A N ALA 91.A O no hydrogen 3.308 N/A GLY 95.A N HIS 284.A O no hydrogen 2.673 N/A ALA 98.A N GLN 282.A O no hydrogen 2.651 N/A SER 100.A OG ALA 98.A O no hydrogen 2.481 N/A ALA 102.A N GLY 99.A O no hydrogen 2.513 N/A ALA 106.A N THR 3.A O no hydrogen 2.642 N/A THR 108.A N ASP 28.A O no hydrogen 2.843 N/A LEU 109.A N LEU 5.A O no hydrogen 2.903 N/A ILE 110.A N VAL 30.A O no hydrogen 2.640 N/A PHE 111.A N VAL 7.A O no hydrogen 3.037 N/A ASP 112.A N VAL 32.A O no hydrogen 2.658 N/A ARG 113.A NE ASP 10.A OD1 no hydrogen 3.435 N/A ARG 113.A NH1 GLU 34.A OE2 no hydrogen 3.329 N/A HIS 114.A N ASP 10.A OD2 no hydrogen 2.884 N/A ALA 117.A N HIS 114.A O no hydrogen 3.176 N/A LEU 119.A N PRO 115.A O no hydrogen 2.969 N/A LEU 120.A N ILE 116.A O no hydrogen 2.599 N/A CYS 121.A N ILE 116.A O no hydrogen 2.726 N/A CYS 121.A SG ILE 116.A O no hydrogen 3.582 N/A TYR 122.A N ALA 117.A O no hydrogen 2.646 N/A TYR 122.A OH HIS 13.A ND1 no hydrogen 2.570 N/A ALA 124.A N LEU 120.A O no hydrogen 2.925 N/A ALA 125.A N CYS 121.A O no hydrogen 2.948 N/A ARG 126.A N TYR 122.A O no hydrogen 2.957 N/A ARG 126.A NH1 GLN 55.A OE1 no hydrogen 2.672 N/A TYR 127.A N PRO 123.A O no hydrogen 3.123 N/A LEU 128.A N ALA 124.A O no hydrogen 2.937 N/A MET 129.A N ARG 126.A O no hydrogen 3.064 N/A GLY 130.A N TYR 127.A O no hydrogen 2.725 N/A SER 131.A N ARG 126.A O no hydrogen 2.673 N/A SER 131.A OG GLN 55.A OE1 no hydrogen 2.927 N/A SER 131.A OG ARG 126.A O no hydrogen 3.058 N/A GLN 135.A N GLN 135.A OE1 no hydrogen 2.891 N/A ALA 136.A N THR 133.A O no hydrogen 2.976 N/A ALA 136.A N THR 133.A OG1 no hydrogen 2.978 N/A VAL 137.A N THR 133.A O no hydrogen 3.095 N/A LEU 138.A N PRO 134.A O no hydrogen 2.959 N/A ALA 139.A N GLN 135.A O no hydrogen 2.974 N/A ALA 139.A N ALA 136.A O no hydrogen 2.943 N/A PHE 140.A N ALA 136.A O no hydrogen 3.021 N/A VAL 141.A N VAL 137.A O no hydrogen 3.047 N/A ALA 142.A N LEU 138.A O no hydrogen 3.225 N/A LEU 143.A N ALA 139.A O no hydrogen 3.272 N/A LEU 143.A N PHE 140.A O no hydrogen 3.140 N/A ILE 144.A N VAL 141.A O no hydrogen 3.051 N/A THR 147.A OG1 ARG 251.A O no hydrogen 2.541 N/A THR 151.A OG1 LEU 148.A O no hydrogen 2.803 N/A ASN 152.A ND2 ARG 6.A O no hydrogen 2.904 N/A ASN 152.A ND2 VAL 281.A O no hydrogen 2.900 N/A ILE 153.A N HIS 256.A O no hydrogen 2.630 N/A VAL 154.A N TYR 8.A O no hydrogen 2.780 N/A LEU 155.A N PHE 258.A O no hydrogen 2.781 N/A ALA 157.A N LEU 260.A O no hydrogen 2.746 N/A HIS 163.A N PRO 159.A O no hydrogen 2.915 N/A HIS 163.A NE2 HIS 13.A O no hydrogen 2.704 N/A ILE 164.A N GLU 160.A O no hydrogen 2.732 N/A ASP 165.A N ASP 161.A O no hydrogen 2.984 N/A ARG 166.A N ARG 162.A O no hydrogen 2.833 N/A ARG 166.A NH1 MET 15.A O no hydrogen 2.914 N/A ARG 166.A NH1 TYR 262.A O no hydrogen 2.808 N/A ARG 166.A NH2 TYR 262.A O no hydrogen 3.048 N/A ARG 166.A NH2 GLN 264.A O no hydrogen 3.444 N/A LEU 167.A N HIS 163.A O no hydrogen 2.671 N/A ALA 168.A N ILE 164.A O no hydrogen 2.979 N/A ALA 168.A N ASP 165.A O no hydrogen 3.141 N/A LYS 169.A N ARG 166.A O no hydrogen 3.178 N/A ARG 170.A N ARG 166.A O no hydrogen 3.475 N/A GLN 171.A N LYS 169.A O no hydrogen 2.699 N/A ARG 172.A NH2 THR 18.A OG1 no hydrogen 3.423 N/A GLU 175.A N ARG 172.A O no hydrogen 2.939 N/A ARG 176.A NE TYR 52.A O no hydrogen 2.978 N/A MET 181.A N ASP 178.A OD1 no hydrogen 2.900 N/A LEU 182.A N ASP 178.A O no hydrogen 3.132 N/A ALA 183.A N LEU 179.A O no hydrogen 2.921 N/A ALA 184.A N ALA 180.A O no hydrogen 2.682 N/A ILE 185.A N MET 181.A O no hydrogen 2.666 N/A ARG 186.A N LEU 182.A O no hydrogen 2.902 N/A ARG 186.A NE HIS 163.A ND1 no hydrogen 3.441 N/A ARG 187.A N ALA 183.A O no hydrogen 2.809 N/A VAL 188.A N ALA 184.A O no hydrogen 2.801 N/A TYR 189.A N ILE 185.A O no hydrogen 2.890 N/A TYR 189.A OH ASP 10.A OD1 no hydrogen 2.525 N/A GLY 190.A N ARG 186.A O no hydrogen 2.814 N/A LEU 191.A N ARG 187.A O no hydrogen 2.854 N/A LEU 192.A N VAL 188.A O no hydrogen 3.125 N/A ALA 193.A N TYR 189.A O no hydrogen 3.286 N/A ASN 194.A N GLY 190.A O no hydrogen 3.113 N/A ASN 194.A ND2 ASP 219.A O no hydrogen 3.181 N/A THR 195.A N LEU 191.A O no hydrogen 2.636 N/A THR 195.A OG1 LEU 191.A O no hydrogen 2.929 N/A VAL 196.A N LEU 192.A O no hydrogen 3.112 N/A ARG 197.A N ALA 193.A O no hydrogen 3.422 N/A ARG 197.A NH2 ASN 194.A OD1 no hydrogen 2.499 N/A TYR 198.A N ASN 194.A O no hydrogen 2.996 N/A TYR 198.A OH ASP 208.A OD2 no hydrogen 2.483 N/A LEU 199.A N THR 195.A O no hydrogen 2.931 N/A GLN 200.A N VAL 196.A O no hydrogen 2.827 N/A GLN 200.A NE2 ARG 253.A O no hydrogen 3.338 N/A GLN 200.A NE2 MET 255.A O no hydrogen 2.857 N/A CYS 201.A N ARG 197.A O no hydrogen 2.654 N/A CYS 201.A SG PRO 213.A O no hydrogen 3.856 N/A GLY 202.A N LEU 199.A O no hydrogen 3.116 N/A GLY 203.A N TYR 198.A O no hydrogen 2.675 N/A TRP 205.A NE1 ASP 246.A OD1 no hydrogen 2.998 N/A ARG 206.A NE ASP 246.A OD1 no hydrogen 3.199 N/A ARG 206.A NE ASP 246.A OD2 no hydrogen 3.441 N/A ARG 206.A NH2 ASP 246.A OD2 no hydrogen 2.946 N/A GLU 207.A N SER 204.A O no hydrogen 3.026 N/A ASP 208.A N SER 204.A O no hydrogen 2.973 N/A LEU 212.A N TRP 209.A O no hydrogen 3.558 N/A GLY 218.A N HIS 216.A ND1 no hydrogen 2.746 N/A ASP 219.A N HIS 216.A O no hydrogen 2.730 N/A THR 220.A N ILE 217.A O no hydrogen 3.095 N/A THR 220.A OG1 ILE 217.A O no hydrogen 2.620 N/A LEU 221.A N THR 195.A OG1 no hydrogen 2.861 N/A THR 223.A N THR 220.A O no hydrogen 3.313 N/A THR 223.A OG1 ILE 217.A O no hydrogen 3.276 N/A THR 223.A OG1 THR 220.A O no hydrogen 2.498 N/A LEU 224.A N LEU 221.A O no hydrogen 2.980 N/A PHE 225.A N PHE 222.A O no hydrogen 3.207 N/A ARG 226.A N THR 223.A O no hydrogen 3.320 N/A GLU 229.A N GLU 229.A OE1 no hydrogen 3.091 N/A LEU 230.A N ALA 227.A O no hydrogen 2.730 N/A LEU 231.A N PRO 228.A O no hydrogen 3.066 N/A ALA 232.A N ASP 236.A O no hydrogen 2.608 N/A ASN 234.A ND2 ASP 236.A OD2 no hydrogen 2.727 N/A GLY 235.A N ALA 232.A O no hydrogen 2.474 N/A ASP 236.A N ASN 234.A OD1 no hydrogen 2.502 N/A TYR 238.A N LEU 230.A O no hydrogen 3.264 N/A ALA 242.A N TYR 238.A O no hydrogen 2.944 N/A TRP 243.A N ASN 239.A O no hydrogen 2.714 N/A ALA 244.A N VAL 240.A O no hydrogen 3.183 N/A LEU 245.A N PHE 241.A O no hydrogen 3.073 N/A LEU 245.A N ALA 242.A O no hydrogen 3.050 N/A ASP 246.A N ALA 242.A O no hydrogen 3.057 N/A VAL 247.A N TRP 243.A O no hydrogen 3.146 N/A LEU 248.A N ALA 244.A O no hydrogen 3.058 N/A ALA 249.A N LEU 245.A O no hydrogen 2.982 N/A LYS 250.A N ASP 246.A O no hydrogen 3.052 N/A ARG 251.A N VAL 247.A O no hydrogen 2.918 N/A ARG 251.A NH1 ILE 144.A O no hydrogen 2.735 N/A LEU 252.A N LEU 248.A O no hydrogen 3.035 N/A ARG 253.A N ALA 249.A O no hydrogen 3.262 N/A MET 255.A N LEU 252.A O no hydrogen 3.306 N/A HIS 256.A N THR 151.A O no hydrogen 2.616 N/A PHE 258.A N ILE 153.A O no hydrogen 2.919 N/A LEU 260.A N LEU 155.A O no hydrogen 2.886 N/A TYR 262.A N ALA 157.A O no hydrogen 2.610 N/A ASP 263.A N ASP 261.A OD1 no hydrogen 3.353 N/A GLN 264.A N TYR 262.A O no hydrogen 2.526 N/A CYS 269.A N SER 265.A O no hydrogen 2.563 N/A CYS 269.A SG TYR 262.A O no hydrogen 3.425 N/A CYS 269.A SG GLN 264.A O no hydrogen 3.405 N/A CYS 269.A SG SER 265.A O no hydrogen 3.838 N/A ARG 270.A N PRO 266.A O no hydrogen 2.819 N/A ASP 271.A N ALA 267.A O no hydrogen 2.659 N/A ALA 272.A N GLY 268.A O no hydrogen 2.914 N/A LEU 273.A N CYS 269.A O no hydrogen 2.993 N/A LEU 274.A N ARG 270.A O no hydrogen 3.173 N/A GLN 275.A N ASP 271.A O no hydrogen 2.890 N/A LEU 276.A N ALA 272.A O no hydrogen 2.889 N/A SER 278.A N GLN 275.A O no hydrogen 3.156 N/A SER 278.A OG GLN 275.A O no hydrogen 3.019 N/A GLY 279.A N LEU 276.A O no hydrogen 3.362 N/A MET 280.A N THR 277.A O no hydrogen 3.282 N/A VAL 281.A N ASN 152.A OD1 no hydrogen 3.136 N/A GLN 282.A NE2 PRO 103.A O no hydrogen 3.086 N/A THR 283.A N LEU 4.A O no hydrogen 2.841 N/A THR 283.A OG1 HIS 284.A O no hydrogen 3.383 N/A HIS 284.A N GLY 96.A O no hydrogen 2.952 N/A HIS 284.A ND1 GLY 96.A O no hydrogen 3.066 N/A VAL 285.A N PRO 2.A O no hydrogen 3.042 N/A THR 286.A N HIS 93.A O no hydrogen 2.536 N/A THR 286.A OG1 PRO 92.A O no hydrogen 2.640 N/A THR 287.A N SER 290.A OG no hydrogen 3.261 N/A THR 287.A OG1 SER 290.A OG no hydrogen 2.635 N/A SER 290.A N THR 287.A O no hydrogen 3.451 N/A SER 290.A OG HIS 93.A ND1 no hydrogen 3.189 N/A SER 290.A OG THR 287.A OG1 no hydrogen 2.635 N/A THR 293.A N GLY 289.A O no hydrogen 3.078 N/A THR 293.A OG1 GLY 289.A O no hydrogen 2.974 N/A ILE 294.A N SER 290.A O no hydrogen 2.701 N/A CYS 295.A N ILE 291.A O no hydrogen 2.812 N/A ASP 296.A N PRO 292.A O no hydrogen 2.941 N/A LEU 297.A N THR 293.A O no hydrogen 3.250 N/A ALA 298.A N ILE 294.A O no hydrogen 2.913 N/A ARG 299.A N CYS 295.A O no hydrogen 2.907 N/A THR 300.A N ASP 296.A O no hydrogen 2.778 N/A THR 300.A OG1 ASP 296.A O no hydrogen 2.509 N/A PHE 301.A N LEU 297.A O no hydrogen 2.972 N/A ALA 302.A N ALA 298.A O no hydrogen 3.150 N/A ARG 303.A N ARG 299.A O no hydrogen 3.131 N/A GLU 304.A N THR 300.A O no hydrogen 2.924 N/A MET 305.A N PHE 301.A O no hydrogen 2.669 N/A GLY 306.A N ALA 302.A O no hydrogen 2.579 N/A