Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ckd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 1.A N THR 41.A O no hydrogen 3.369 N/A GLY 8.A N THR 5.A OG1 no hydrogen 3.205 N/A THR 9.A N THR 5.A O no hydrogen 3.294 N/A THR 9.A OG1 ASP 241.A OD2 no hydrogen 3.068 N/A THR 10.A N SER 6.A O no hydrogen 3.019 N/A THR 10.A OG1 SER 6.A O no hydrogen 3.563 N/A THR 10.A OG1 GLN 243.A OE1 no hydrogen 3.268 N/A ALA 11.A N VAL 7.A O no hydrogen 2.827 N/A VAL 12.A N GLY 8.A O no hydrogen 3.124 N/A MET 13.A N THR 9.A O no hydrogen 2.989 N/A VAL 14.A N THR 10.A O no hydrogen 2.922 N/A ALA 15.A N ALA 11.A O no hydrogen 3.043 N/A ALA 16.A N VAL 12.A O no hydrogen 2.910 N/A ALA 17.A N MET 13.A O no hydrogen 3.243 N/A ALA 17.A N VAL 14.A O no hydrogen 3.111 N/A ARG 18.A N VAL 14.A O no hydrogen 3.142 N/A ARG 18.A NE ASP 31.A OD2 no hydrogen 2.989 N/A ALA 19.A N ALA 15.A O no hydrogen 2.895 N/A ALA 20.A N ALA 16.A O no hydrogen 3.224 N/A GLU 21.A N ALA 17.A O no hydrogen 3.080 N/A THR 22.A N ARG 18.A O no hydrogen 2.849 N/A THR 22.A OG1 ARG 18.A O no hydrogen 3.084 N/A ASP 23.A N ALA 19.A O no hydrogen 3.422 N/A ARG 24.A N GLU 21.A O no hydrogen 3.112 N/A ARG 24.A NH1 GLU 21.A OE1 no hydrogen 2.769 N/A ALA 27.A N ARG 24.A O no hydrogen 3.203 N/A LEU 28.A N GLU 21.A OE2 no hydrogen 2.742 N/A ARG 30.A NH2 ARG 24.A O no hydrogen 3.345 N/A ASP 31.A N THR 22.A OG1 no hydrogen 2.719 N/A TYR 33.A N ASP 31.A OD1 no hydrogen 3.081 N/A ALA 34.A N ASP 31.A O no hydrogen 3.288 N/A ALA 34.A N ASP 31.A OD1 no hydrogen 3.135 N/A LEU 37.A N TYR 33.A O no hydrogen 3.034 N/A VAL 38.A N ALA 34.A O no hydrogen 2.900 N/A THR 39.A N LYS 35.A O no hydrogen 3.038 N/A THR 39.A OG1 LYS 35.A O no hydrogen 2.771 N/A ASN 40.A N LEU 36.A O no hydrogen 3.031 N/A ASN 40.A ND2 LEU 36.A O no hydrogen 3.396 N/A THR 41.A N VAL 38.A O no hydrogen 2.930 N/A THR 41.A OG1 LEU 37.A O no hydrogen 3.329 N/A GLY 42.A N THR 39.A O no hydrogen 2.857 N/A GLU 48.A N GLY 44.A O no hydrogen 2.925 N/A ALA 49.A N ALA 45.A O no hydrogen 3.167 N/A MET 50.A N LEU 46.A O no hydrogen 3.085 N/A LEU 51.A N TRP 47.A O no hydrogen 3.066 N/A ASP 52.A N GLU 48.A O no hydrogen 3.045 N/A SER 54.A N ASP 52.A OD1 no hydrogen 2.877 N/A SER 54.A OG ASP 52.A OD1 no hydrogen 3.080 N/A SER 54.A OG ASP 52.A OD2 no hydrogen 3.212 N/A MET 55.A N ASP 52.A O no hydrogen 3.085 N/A VAL 56.A N PRO 53.A O no hydrogen 3.064 N/A VAL 59.A N MET 55.A O no hydrogen 3.013 N/A GLU 60.A N VAL 56.A O no hydrogen 2.970 N/A ALA 61.A N ALA 57.A O no hydrogen 3.138 N/A ILE 62.A N VAL 59.A O no hydrogen 2.959 N/A ASP 63.A N VAL 59.A O no hydrogen 3.378 N/A ALA 66.A N ASP 63.A OD2 no hydrogen 2.892 N/A ALA 67.A N ASP 63.A O no hydrogen 2.709 N/A ALA 68.A N ALA 64.A O no hydrogen 3.119 N/A MET 69.A N GLU 65.A O no hydrogen 3.107 N/A VAL 70.A N ALA 66.A O no hydrogen 2.754 N/A GLU 71.A N ALA 67.A O no hydrogen 3.071 N/A HIS 72.A N ALA 68.A O no hydrogen 2.749 N/A MET 73.A N MET 69.A O no hydrogen 2.871 N/A ARG 74.A N VAL 70.A O no hydrogen 3.037 N/A ARG 74.A NE LEU 51.A O no hydrogen 3.096 N/A ARG 74.A NH2 LEU 51.A O no hydrogen 3.072 N/A SER 75.A N GLU 71.A O no hydrogen 2.822 N/A SER 75.A OG GLU 71.A OE2 no hydrogen 2.721 N/A TYR 76.A N HIS 72.A O no hydrogen 2.670 N/A TYR 76.A OH GLU 210.A OE2 no hydrogen 2.590 N/A GLN 77.A N MET 73.A O no hydrogen 2.873 N/A ALA 78.A N ARG 74.A O no hydrogen 3.136 N/A VAL 79.A N SER 75.A O no hydrogen 2.943 N/A ARG 80.A N TYR 76.A O no hydrogen 2.838 N/A ARG 80.A NE GLU 179.A OE2 no hydrogen 2.845 N/A ARG 80.A NH1 GLU 210.A OE2 no hydrogen 2.834 N/A THR 81.A N GLN 77.A O no hydrogen 2.898 N/A THR 81.A OG1 GLN 77.A O no hydrogen 2.969 N/A ASN 82.A N ALA 78.A O no hydrogen 2.775 N/A PHE 83.A N VAL 79.A O no hydrogen 2.868 N/A PHE 84.A N ARG 80.A O no hydrogen 2.927 N/A ASP 85.A N THR 81.A O no hydrogen 2.851 N/A THR 86.A N ASN 82.A O no hydrogen 2.919 N/A THR 86.A OG1 ASN 82.A O no hydrogen 3.078 N/A TYR 87.A N PHE 83.A O no hydrogen 3.043 N/A TYR 87.A OH TRP 176.A O no hydrogen 2.640 N/A PHE 88.A N PHE 84.A O no hydrogen 2.898 N/A ASN 89.A N ASP 85.A O no hydrogen 2.776 N/A ASN 90.A N THR 86.A O no hydrogen 2.884 N/A ALA 91.A N TYR 87.A O no hydrogen 3.072 N/A VAL 92.A N PHE 88.A O no hydrogen 3.171 N/A ILE 93.A N ASN 89.A O no hydrogen 2.963 N/A ASP 94.A N ASN 90.A O no hydrogen 2.923 N/A GLY 95.A N VAL 92.A O no hydrogen 2.811 N/A ILE 96.A N ALA 91.A O no hydrogen 2.785 N/A ARG 97.A NH1 VAL 92.A O no hydrogen 2.889 N/A ARG 97.A NH1 ILE 96.A O no hydrogen 2.754 N/A PHE 99.A N THR 120.A O no hydrogen 2.909 N/A VAL 100.A N ALA 175.A O no hydrogen 3.176 N/A ILE 101.A N TYR 122.A O no hydrogen 3.003 N/A LEU 102.A N LEU 177.A O no hydrogen 2.727 N/A SER 104.A N ILE 124.A O no hydrogen 3.040 N/A SER 104.A OG GLU 123.A OE1 no hydrogen 3.395 N/A SER 104.A OG ILE 124.A O no hydrogen 3.561 N/A GLY 105.A N ASP 125.A OD2 no hydrogen 2.647 N/A ASP 107.A N SER 104.A O no hydrogen 2.792 N/A SER 108.A OG ASP 31.A OD1 no hydrogen 2.797 N/A SER 108.A OG ASP 31.A OD2 no hydrogen 3.252 N/A ARG 109.A N ASP 107.A OD1 no hydrogen 2.791 N/A ARG 109.A NE ASP 85.A OD1 no hydrogen 2.760 N/A ARG 109.A NH1 ASP 107.A OD2 no hydrogen 2.282 N/A ARG 109.A NH1 GLU 179.A OE1 no hydrogen 3.021 N/A ARG 109.A NH2 ASP 85.A OD1 no hydrogen 3.226 N/A TYR 111.A N SER 108.A O no hydrogen 2.841 N/A ARG 112.A N SER 108.A O no hydrogen 3.123 N/A ARG 112.A NE SER 108.A OG no hydrogen 3.278 N/A ARG 112.A NH1 ASP 85.A OD1 no hydrogen 3.390 N/A ARG 112.A NH1 ASP 85.A OD2 no hydrogen 2.725 N/A ARG 112.A NH2 ASP 85.A OD1 no hydrogen 3.196 N/A LEU 113.A N ARG 109.A O no hydrogen 3.336 N/A TRP 115.A NE1 ARG 109.A O no hydrogen 2.997 N/A THR 119.A N PRO 116.A O no hydrogen 3.325 N/A THR 119.A OG1 PRO 116.A O no hydrogen 2.321 N/A THR 120.A N ARG 97.A O no hydrogen 2.761 N/A THR 120.A OG1 ARG 97.A O no hydrogen 3.501 N/A VAL 121.A N ASP 147.A O no hydrogen 3.130 N/A TYR 122.A N PHE 99.A O no hydrogen 2.574 N/A GLU 123.A N ARG 149.A O no hydrogen 2.885 N/A ILE 124.A N ILE 101.A O no hydrogen 2.971 N/A GLN 126.A N ASP 125.A OD1 no hydrogen 2.528 N/A LEU 130.A N GLN 126.A O no hydrogen 3.171 N/A ALA 131.A N PRO 127.A O no hydrogen 2.993 N/A TYR 132.A N LYS 128.A O no hydrogen 2.802 N/A TYR 132.A OH LEU 37.A O no hydrogen 2.650 N/A LYS 133.A N VAL 129.A O no hydrogen 2.921 N/A LYS 133.A NZ GLY 105.A O no hydrogen 2.820 N/A LYS 133.A NZ ASP 107.A O no hydrogen 2.667 N/A LYS 133.A NZ GLU 123.A OE1 no hydrogen 2.951 N/A SER 134.A N LEU 130.A O no hydrogen 3.026 N/A SER 134.A OG LEU 130.A O no hydrogen 3.471 N/A SER 134.A OG GLU 150.A OE2 no hydrogen 2.973 N/A THR 135.A N ALA 131.A O no hydrogen 2.880 N/A THR 135.A OG1 ALA 131.A O no hydrogen 2.706 N/A THR 136.A N TYR 132.A O no hydrogen 3.115 N/A THR 136.A OG1 TYR 132.A O no hydrogen 2.751 N/A LEU 137.A N LYS 133.A O no hydrogen 3.154 N/A ALA 138.A N SER 134.A O no hydrogen 2.758 N/A GLU 139.A N THR 135.A O no hydrogen 2.935 N/A GLU 139.A N THR 136.A O no hydrogen 3.117 N/A HIS 140.A N THR 136.A O no hydrogen 2.964 N/A HIS 140.A N LEU 137.A O no hydrogen 2.897 N/A GLY 141.A N ALA 138.A O no hydrogen 3.196 N/A VAL 142.A N LEU 137.A O no hydrogen 2.899 N/A THR 145.A N ALA 110.A O no hydrogen 2.802 N/A THR 145.A OG1 ALA 110.A O no hydrogen 3.093 N/A THR 145.A OG1 LEU 113.A O no hydrogen 2.884 N/A ASP 147.A N THR 119.A O no hydrogen 3.361 N/A ARG 148.A NH2 GLU 150.A OE2 no hydrogen 2.504 N/A ARG 149.A N VAL 121.A O no hydrogen 2.956 N/A VAL 151.A N GLU 123.A O no hydrogen 2.742 N/A ILE 153.A N ASP 125.A O no hydrogen 2.922 N/A ARG 156.A N ASP 154.A OD1 no hydrogen 2.869 N/A ARG 156.A NH2 TYR 247.A OH no hydrogen 2.689 N/A GLN 157.A N ASP 154.A O no hydrogen 3.012 N/A ALA 162.A N TRP 159.A O no hydrogen 3.125 N/A LEU 163.A N TRP 159.A O no hydrogen 3.038 N/A ARG 164.A N PRO 160.A O no hydrogen 3.053 N/A SER 165.A N PRO 161.A O no hydrogen 3.197 N/A SER 165.A OG PRO 161.A O no hydrogen 2.850 N/A ALA 166.A N ALA 162.A O no hydrogen 3.120 N/A ALA 166.A N LEU 163.A O no hydrogen 3.121 N/A GLY 167.A N ARG 164.A O no hydrogen 2.774 N/A PHE 168.A N LEU 163.A O no hydrogen 3.255 N/A SER 171.A N ASP 169.A OD2 no hydrogen 3.097 N/A SER 171.A OG ASP 169.A OD2 no hydrogen 2.885 N/A ALA 172.A N ASP 169.A O no hydrogen 2.915 N/A ARG 173.A NE GLY 204.A O no hydrogen 3.527 N/A ARG 173.A NH1 ASP 94.A O no hydrogen 3.092 N/A ARG 173.A NH2 ASP 94.A O no hydrogen 2.922 N/A THR 174.A N SER 205.A OG no hydrogen 2.948 N/A THR 174.A OG1 GLN 98.A OE1 no hydrogen 3.056 N/A THR 174.A OG1 ALA 172.A O no hydrogen 3.371 N/A ALA 175.A N GLN 98.A O no hydrogen 2.980 N/A TRP 176.A N ARG 206.A O no hydrogen 2.937 N/A TRP 176.A NE1 SER 201.A OG no hydrogen 2.876 N/A LEU 177.A N VAL 100.A O no hydrogen 2.865 N/A ALA 178.A N ALA 208.A O no hydrogen 2.981 N/A GLY 180.A N GLU 210.A OE1 no hydrogen 2.595 N/A TYR 184.A N LEU 181.A O no hydrogen 3.045 N/A LEU 185.A N LEU 182.A O no hydrogen 3.056 N/A ALA 187.A N GLU 250.A OE2 no hydrogen 3.241 N/A GLN 190.A N PRO 186.A O no hydrogen 3.172 N/A ASP 191.A N ALA 187.A O no hydrogen 3.122 N/A GLY 192.A N THR 188.A O no hydrogen 2.790 N/A LEU 193.A N ALA 189.A O no hydrogen 2.810 N/A PHE 194.A N GLN 190.A O no hydrogen 3.141 N/A THR 195.A N ASP 191.A O no hydrogen 2.856 N/A THR 195.A OG1 ASP 191.A O no hydrogen 3.312 N/A GLU 196.A N GLY 192.A O no hydrogen 2.841 N/A ILE 197.A N LEU 193.A O no hydrogen 2.830 N/A GLY 198.A N PHE 194.A O no hydrogen 2.873 N/A GLY 199.A N THR 195.A O no hydrogen 3.047 N/A LEU 200.A N ILE 197.A O no hydrogen 3.127 N/A SER 201.A N GLY 198.A O no hydrogen 3.081 N/A SER 201.A OG ILE 197.A O no hydrogen 2.755 N/A GLY 204.A N ARG 302.A O no hydrogen 2.914 N/A SER 205.A N ALA 202.A O no hydrogen 2.847 N/A SER 205.A OG ALA 202.A O no hydrogen 2.818 N/A ARG 206.A N THR 174.A O no hydrogen 2.848 N/A ARG 206.A NH1 ASP 94.A OD2 no hydrogen 3.063 N/A ARG 206.A NH2 ASP 94.A OD2 no hydrogen 2.628 N/A ILE 207.A N ALA 300.A O no hydrogen 2.771 N/A ALA 208.A N TRP 176.A O no hydrogen 3.041 N/A VAL 209.A N VAL 298.A O no hydrogen 2.962 N/A GLU 210.A N ALA 178.A O no hydrogen 3.088 N/A THR 211.A N GLU 296.A O no hydrogen 3.059 N/A THR 211.A OG1 GLU 296.A O no hydrogen 3.273 N/A HIS 215.A N ASP 292.A O no hydrogen 2.889 N/A HIS 215.A ND1 ASP 290.A OD1 no hydrogen 2.622 N/A GLY 216.A N PRO 213.A O no hydrogen 3.340 N/A GLU 218.A N HIS 215.A O no hydrogen 3.246 N/A ARG 220.A N GLY 216.A O no hydrogen 3.117 N/A ARG 220.A NE ASP 217.A OD1 no hydrogen 3.315 N/A GLU 221.A N ASP 217.A O no hydrogen 3.025 N/A GLN 222.A N GLU 218.A O no hydrogen 3.330 N/A MET 223.A N TRP 219.A O no hydrogen 3.093 N/A GLN 224.A N ARG 220.A O no hydrogen 3.107 N/A LEU 225.A N GLU 221.A O no hydrogen 3.176 N/A ARG 226.A N GLN 222.A O no hydrogen 2.962 N/A PHE 227.A N MET 223.A O no hydrogen 2.739 N/A ARG 228.A N GLN 224.A O no hydrogen 2.963 N/A ARG 229.A N LEU 225.A O no hydrogen 3.083 N/A VAL 230.A N ARG 226.A O no hydrogen 2.957 N/A SER 231.A N PHE 227.A O no hydrogen 3.188 N/A SER 231.A OG PHE 227.A O no hydrogen 3.239 N/A ASP 232.A N ARG 228.A O no hydrogen 2.935 N/A ALA 233.A N ARG 229.A O no hydrogen 3.041 N/A LEU 234.A N VAL 230.A O no hydrogen 2.788 N/A GLY 235.A N ASP 232.A O no hydrogen 3.065 N/A PHE 236.A N SER 231.A O no hydrogen 2.933 N/A LEU 245.A N ASP 217.A OD1 no hydrogen 2.890 N/A HIS 248.A N LEU 245.A O no hydrogen 3.273 N/A HIS 248.A ND1 LEU 245.A O no hydrogen 3.104 N/A GLU 250.A N TYR 247.A O no hydrogen 3.167 N/A ARG 252.A NH1 LEU 182.A O no hydrogen 3.006 N/A ARG 252.A NH1 LEU 185.A O no hydrogen 3.496 N/A ARG 252.A NH2 LEU 185.A O no hydrogen 2.947 N/A TRP 258.A N VAL 254.A O no hydrogen 2.977 N/A LEU 259.A N VAL 255.A O no hydrogen 3.001 N/A ASN 260.A N ALA 256.A O no hydrogen 2.881 N/A ARG 261.A N ASP 257.A O no hydrogen 3.090 N/A ARG 261.A N TRP 258.A O no hydrogen 3.113 N/A HIS 262.A N LEU 259.A O no hydrogen 2.705 N/A HIS 262.A ND1 TRP 258.A O no hydrogen 2.782 N/A TRP 264.A N LEU 259.A O no hydrogen 3.185 N/A ARG 265.A N HIS 301.A O no hydrogen 3.154 N/A ALA 266.A N ASN 260.A OD1 no hydrogen 2.758 N/A THR 267.A N THR 299.A O no hydrogen 2.701 N/A GLN 269.A N PHE 297.A O no hydrogen 2.713 N/A GLN 269.A NE2 GLU 274.A OE1 no hydrogen 2.733 N/A ALA 271.A N ALA 295.A O no hydrogen 3.132 N/A ASP 273.A N SER 270.A OG no hydrogen 3.357 N/A GLU 274.A N SER 270.A O no hydrogen 3.070 N/A MET 275.A N ALA 271.A O no hydrogen 2.775 N/A ARG 276.A N PRO 272.A O no hydrogen 2.960 N/A ARG 276.A NH1 ASP 273.A OD1 no hydrogen 2.597 N/A ARG 277.A N ASP 273.A O no hydrogen 2.882 N/A ARG 277.A NH1 GLU 274.A OE1 no hydrogen 3.099 N/A VAL 278.A N GLU 274.A O no hydrogen 3.189 N/A GLY 279.A N ARG 276.A O no hydrogen 3.122 N/A ARG 280.A N MET 275.A O no hydrogen 2.581 N/A ARG 280.A NE SER 75.A OG no hydrogen 2.659 N/A ARG 280.A NH1 GLU 21.A OE2 no hydrogen 3.251 N/A ARG 280.A NH2 GLU 21.A OE1 no hydrogen 2.874 N/A ARG 280.A NH2 GLU 21.A OE2 no hydrogen 3.320 N/A TRP 281.A NE1 ASP 283.A OD2 no hydrogen 3.055 N/A VAL 285.A N GLY 282.A O no hydrogen 3.322 N/A ASP 290.A N MET 287.A O no hydrogen 2.780 N/A ASP 292.A N ASP 290.A OD2 no hydrogen 3.269 N/A ALA 293.A N ASP 290.A O no hydrogen 2.802 N/A PHE 294.A N LYS 291.A O no hydrogen 3.368 N/A GLU 296.A N THR 211.A OG1 no hydrogen 2.816 N/A PHE 297.A N GLN 269.A O no hydrogen 2.596 N/A VAL 298.A N VAL 209.A O no hydrogen 2.786 N/A THR 299.A N THR 267.A O no hydrogen 2.868 N/A ALA 300.A N ILE 207.A O no hydrogen 2.999 N/A HIS 301.A N ARG 265.A O no hydrogen 3.123 N/A ARG 302.A N SER 205.A O no hydrogen 2.605 N/A LEU 303.A N GLY 263.A O no hydrogen 2.870 N/A