Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kd6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N PHE 118.A O no hydrogen 2.793 N/A VAL 5.A N ARG 45.A O no hydrogen 2.612 N/A ILE 6.A N CYS 120.A O no hydrogen 3.069 N/A SER 8.A N SER 28.A OG no hydrogen 3.061 N/A ALA 10.A N GLY 26.A O no hydrogen 2.998 N/A PHE 11.A N PHE 80.A O no hydrogen 3.066 N/A ASP 12.A N THR 24.A O no hydrogen 2.688 N/A ASP 13.A N TRP 82.A O no hydrogen 2.873 N/A ILE 14.A N SER 21.A O no hydrogen 2.763 N/A GLU 15.A N GLY 84.A O no hydrogen 3.039 N/A THR 16.A N GLY 19.A O no hydrogen 2.892 N/A THR 16.A OG1 GLY 19.A O no hydrogen 3.430 N/A PHE 18.A N THR 16.A OG1 no hydrogen 3.000 N/A GLY 19.A N THR 16.A OG1 no hydrogen 3.093 N/A ARG 20.A NE ASP 22.A OD1 no hydrogen 3.422 N/A ARG 20.A NE ASP 22.A OD2 no hydrogen 3.092 N/A SER 21.A N ILE 14.A O no hydrogen 2.889 N/A SER 21.A OG THR 24.A OG1 no hydrogen 2.600 N/A ASN 23.A N ASP 13.A OD1 no hydrogen 2.852 N/A THR 24.A N ASP 12.A O no hydrogen 2.895 N/A THR 24.A OG1 ASP 12.A O no hydrogen 3.112 N/A THR 24.A OG1 SER 21.A O no hydrogen 2.922 N/A THR 24.A OG1 SER 21.A OG no hydrogen 2.600 N/A GLY 26.A N ALA 10.A O no hydrogen 2.681 N/A SER 28.A N SER 8.A OG no hydrogen 2.866 N/A SER 28.A OG ASN 123.A O no hydrogen 2.682 N/A SER 29.A N SER 8.A O no hydrogen 2.976 N/A SER 29.A OG SER 8.A O no hydrogen 2.911 N/A THR 30.A OG1 GLY 26.A O no hydrogen 2.621 N/A TYR 31.A N GLY 27.A O no hydrogen 3.333 N/A ILE 32.A N SER 28.A O no hydrogen 3.021 N/A ALA 33.A N SER 29.A O no hydrogen 2.815 N/A LEU 34.A N THR 30.A O no hydrogen 3.007 N/A SER 35.A N TYR 31.A O no hydrogen 3.184 N/A SER 35.A OG THR 234.A O no hydrogen 2.858 N/A ALA 36.A N ILE 32.A O no hydrogen 2.914 N/A SER 37.A N ALA 33.A O no hydrogen 2.891 N/A SER 37.A OG LEU 34.A O no hydrogen 2.745 N/A TYR 38.A N SER 35.A O no hydrogen 3.174 N/A TYR 38.A OH TYR 275.A O no hydrogen 3.247 N/A TYR 38.A OH LEU 278.A O no hydrogen 2.734 N/A PHE 39.A N ALA 36.A O no hydrogen 2.781 N/A THR 40.A N ALA 36.A O no hydrogen 3.362 N/A THR 40.A OG1 GLU 42.A O no hydrogen 2.978 N/A ARG 45.A N LEU 3.A O no hydrogen 2.914 N/A ARG 45.A NH1 ASP 115.A OD1 no hydrogen 2.906 N/A ARG 45.A NH1 SER 116.A OG no hydrogen 2.990 N/A GLY 47.A N GLY 70.A O no hydrogen 3.153 N/A VAL 49.A N GLN 72.A O no hydrogen 2.806 N/A GLY 50.A N THR 79.A OG1 no hydrogen 3.096 N/A SER 51.A N GLY 77.A O no hydrogen 3.304 N/A PHE 53.A N GLY 50.A O no hydrogen 3.254 N/A GLU 56.A N GLU 56.A OE1 no hydrogen 2.679 N/A HIS 57.A N GLY 54.A O no hydrogen 3.175 N/A ASP 59.A N LYS 55.A O no hydrogen 2.752 N/A LEU 60.A N GLU 56.A O no hydrogen 3.099 N/A LEU 61.A N HIS 57.A O no hydrogen 3.374 N/A HIS 62.A N PHE 58.A O no hydrogen 2.976 N/A HIS 62.A NE2 THR 68.A OG1 no hydrogen 2.714 N/A ALA 63.A N ASP 59.A O no hydrogen 2.955 N/A LYS 64.A N LEU 61.A O no hydrogen 2.942 N/A LYS 64.A NZ TYR 38.A OH no hydrogen 3.002 N/A LYS 64.A NZ TYR 275.A O no hydrogen 2.847 N/A ASN 65.A N HIS 62.A O no hydrogen 2.942 N/A ILE 66.A N LEU 61.A O no hydrogen 3.105 N/A ASP 67.A N ILE 44.A O no hydrogen 2.659 N/A THR 68.A OG1 HIS 62.A NE2 no hydrogen 2.714 N/A ARG 69.A N ASP 67.A OD1 no hydrogen 2.947 N/A ARG 69.A NE ASP 67.A OD1 no hydrogen 3.158 N/A ARG 69.A NE ASP 67.A OD2 no hydrogen 3.130 N/A ARG 69.A NH2 ASP 67.A OD2 no hydrogen 2.876 N/A GLY 70.A N TYR 113.A OH no hydrogen 3.296 N/A ILE 71.A N THR 68.A O no hydrogen 2.960 N/A GLN 72.A N GLY 47.A O no hydrogen 2.950 N/A GLN 72.A NE2 ASP 106.A O no hydrogen 3.044 N/A ILE 74.A N VAL 49.A O no hydrogen 2.939 N/A GLY 77.A N ILE 74.A O no hydrogen 2.952 N/A THR 79.A N ASP 52.A OD1 no hydrogen 2.913 N/A THR 79.A OG1 ASP 52.A OD1 no hydrogen 2.729 N/A THR 79.A OG1 ASP 52.A OD2 no hydrogen 3.444 N/A ARG 81.A N GLN 98.A O no hydrogen 3.109 N/A TRP 82.A N PHE 11.A O no hydrogen 3.140 N/A ALA 83.A N ASP 96.A O no hydrogen 3.006 N/A GLY 84.A N ASP 13.A O no hydrogen 3.076 N/A ARG 85.A N ASP 93.A O no hydrogen 2.841 N/A TYR 86.A N GLU 15.A O no hydrogen 2.791 N/A TYR 86.A OH THR 229.A OG1 no hydrogen 2.718 N/A THR 91.A N ASP 89.A OD2 no hydrogen 2.975 N/A THR 91.A OG1 ASP 89.A OD1 no hydrogen 3.239 N/A THR 91.A OG1 ASP 89.A OD2 no hydrogen 2.746 N/A ARG 92.A NH1 TYR 86.A OH no hydrogen 2.809 N/A ASP 93.A N ARG 85.A O no hydrogen 2.835 N/A LEU 95.A N ALA 83.A O no hydrogen 2.757 N/A ASP 96.A N ALA 83.A O no hydrogen 3.445 N/A GLN 98.A N ARG 81.A O no hydrogen 2.986 N/A GLN 98.A NE2 ASP 96.A OD1 no hydrogen 2.800 N/A VAL 101.A N LYS 78.A O no hydrogen 3.272 N/A PHE 102.A N LEU 99.A O no hydrogen 2.965 N/A ALA 103.A N ASN 100.A O no hydrogen 2.768 N/A HIS 108.A N ASP 106.A O no hydrogen 2.569 N/A VAL 109.A N GLN 135.A OE1 no hydrogen 2.864 N/A TYR 113.A N PRO 110.A O no hydrogen 2.714 N/A TYR 113.A OH ASP 67.A OD1 no hydrogen 2.888 N/A ARG 114.A N GLN 111.A O no hydrogen 3.195 N/A ARG 114.A NE ASP 137.A OD2 no hydrogen 3.487 N/A ARG 114.A NH2 ASP 137.A OD1 no hydrogen 3.341 N/A SER 116.A N TYR 113.A O no hydrogen 3.146 N/A SER 116.A OG TYR 113.A O no hydrogen 2.619 N/A LYS 117.A N SER 2.A OG no hydrogen 2.941 N/A LYS 117.A NZ ASP 115.A O no hydrogen 2.944 N/A PHE 118.A N SER 2.A O no hydrogen 2.874 N/A VAL 119.A N LEU 141.A O no hydrogen 3.040 N/A CYS 120.A N LEU 4.A O no hydrogen 2.962 N/A LEU 121.A N VAL 143.A O no hydrogen 2.696 N/A GLY 122.A N ILE 6.A O no hydrogen 2.839 N/A GLY 122.A N CYS 120.A O no hydrogen 3.017 N/A GLU 127.A N ASP 125.A OD1 no hydrogen 2.556 N/A LEU 128.A N ASP 125.A O no hydrogen 2.876 N/A GLN 129.A N ASP 125.A O no hydrogen 3.063 N/A GLN 129.A NE2 GLY 122.A O no hydrogen 2.933 N/A GLN 129.A NE2 ASP 145.A O no hydrogen 3.152 N/A LEU 130.A N PRO 126.A O no hydrogen 2.969 N/A LYS 131.A N GLU 127.A O no hydrogen 3.067 N/A VAL 132.A N LEU 128.A O no hydrogen 2.925 N/A LEU 133.A N GLN 129.A O no hydrogen 3.104 N/A ASP 134.A N LEU 130.A O no hydrogen 2.994 N/A GLN 135.A N VAL 132.A O no hydrogen 2.746 N/A GLN 135.A NE2 PRO 107.A O no hydrogen 2.724 N/A GLN 135.A NE2 LYS 131.A O no hydrogen 2.908 N/A ILE 136.A N LEU 133.A O no hydrogen 3.091 N/A ASP 137.A N ARG 114.A O no hydrogen 3.131 N/A LYS 140.A N LYS 117.A O no hydrogen 2.718 N/A LEU 141.A N LYS 117.A O no hydrogen 3.294 N/A VAL 142.A N ASP 165.A OD2 no hydrogen 2.715 N/A VAL 143.A N VAL 119.A O no hydrogen 2.829 N/A CYS 144.A N VAL 166.A O no hydrogen 2.830 N/A CYS 144.A SG LEU 121.A O no hydrogen 3.856 N/A CYS 144.A SG ASP 145.A O no hydrogen 3.766 N/A ASP 145.A N LEU 121.A O no hydrogen 3.237 N/A ASN 147.A N ASN 147.A OD1 no hydrogen 2.656 N/A PHE 148.A N ASN 147.A OD1 no hydrogen 2.741 N/A GLU 151.A N ASN 147.A O no hydrogen 2.847 N/A GLY 152.A N PHE 148.A O no hydrogen 2.879 N/A LYS 153.A N TRP 149.A O no hydrogen 2.785 N/A LYS 153.A NZ ASP 125.A OD1 no hydrogen 3.451 N/A LYS 153.A NZ ASP 125.A OD2 no hydrogen 2.912 N/A LYS 153.A NZ GLU 127.A OE2 no hydrogen 2.588 N/A GLU 156.A N GLU 156.A OE1 no hydrogen 2.452 N/A LEU 157.A N LYS 153.A O no hydrogen 2.965 N/A LYS 158.A N PRO 154.A O no hydrogen 2.895 N/A LYS 159.A N GLU 155.A O no hydrogen 3.141 N/A LYS 159.A N GLU 156.A O no hydrogen 3.070 N/A VAL 160.A N GLU 156.A O no hydrogen 3.262 N/A LEU 161.A N LEU 157.A O no hydrogen 2.878 N/A ALA 162.A N LYS 158.A O no hydrogen 3.153 N/A ARG 163.A N VAL 160.A O no hydrogen 2.972 N/A ARG 163.A NH1 ASP 134.A OD1 no hydrogen 2.675 N/A ASP 165.A N VAL 142.A O no hydrogen 2.996 N/A VAL 166.A N VAL 142.A O no hydrogen 3.059 N/A PHE 167.A N THR 196.A O no hydrogen 2.974 N/A ILE 168.A N CYS 144.A O no hydrogen 2.823 N/A VAL 169.A N ILE 198.A O no hydrogen 2.938 N/A ASN 170.A N GLU 173.A OE1 no hydrogen 3.050 N/A ASP 171.A N LYS 200.A O no hydrogen 3.301 N/A GLU 173.A N ASN 170.A OD1 no hydrogen 2.756 N/A ALA 174.A N ASN 170.A O no hydrogen 3.007 N/A ARG 175.A N ASP 171.A O no hydrogen 3.097 N/A ARG 175.A NE PRO 181.A O no hydrogen 2.912 N/A ARG 175.A NH1 ASP 171.A OD2 no hydrogen 2.987 N/A LEU 176.A N SER 172.A O no hydrogen 3.004 N/A LEU 177.A N GLU 173.A O no hydrogen 2.843 N/A SER 178.A N ALA 174.A O no hydrogen 2.954 N/A SER 178.A OG ALA 174.A O no hydrogen 3.401 N/A SER 178.A OG ARG 175.A O no hydrogen 3.432 N/A SER 178.A OG ASP 180.A O no hydrogen 3.041 N/A SER 178.A OG THR 186.A OG1 no hydrogen 2.695 N/A GLY 179.A N ARG 175.A O no hydrogen 2.749 N/A ASP 180.A N SER 178.A OG no hydrogen 3.182 N/A ASN 182.A N ASP 180.A OD2 no hydrogen 2.968 N/A VAL 184.A N ASN 182.A OD1 no hydrogen 2.825 N/A LYS 185.A N ASN 182.A OD1 no hydrogen 3.058 N/A THR 186.A N ASN 182.A O no hydrogen 2.833 N/A THR 186.A OG1 SER 178.A OG no hydrogen 2.695 N/A THR 186.A OG1 ASN 182.A O no hydrogen 2.798 N/A ALA 187.A N LEU 183.A O no hydrogen 2.922 N/A ARG 188.A N VAL 184.A O no hydrogen 3.275 N/A ILE 189.A N LYS 185.A O no hydrogen 2.936 N/A ILE 190.A N THR 186.A O no hydrogen 2.834 N/A ARG 191.A N ALA 187.A O no hydrogen 2.789 N/A ARG 191.A NH1 LYS 195.A O no hydrogen 2.679 N/A ARG 191.A NH1 ASP 211.A OD1 no hydrogen 3.041 N/A ARG 191.A NH2 ASP 211.A OD1 no hydrogen 3.544 N/A GLU 192.A N ARG 188.A O no hydrogen 3.061 N/A THR 196.A N ASP 165.A O no hydrogen 3.110 N/A LEU 197.A N PHE 209.A O no hydrogen 3.007 N/A ILE 198.A N PHE 167.A O no hydrogen 2.917 N/A ILE 199.A N LEU 207.A O no hydrogen 2.836 N/A LYS 200.A N VAL 169.A O no hydrogen 2.776 N/A LYS 200.A NZ GLY 202.A O no hydrogen 2.783 N/A LYS 200.A NZ GLU 203.A OE2 no hydrogen 2.627 N/A LYS 201.A N GLY 205.A O no hydrogen 2.899 N/A HIS 204.A N LYS 201.A O no hydrogen 2.860 N/A ALA 206.A N ALA 217.A O no hydrogen 3.131 N/A LEU 207.A N ILE 199.A O no hydrogen 2.775 N/A LEU 208.A N PHE 215.A O no hydrogen 2.863 N/A PHE 209.A N LEU 197.A O no hydrogen 2.735 N/A THR 210.A N GLY 213.A O no hydrogen 3.083 N/A THR 210.A OG1 GLU 251.A OE1 no hydrogen 2.856 N/A THR 210.A OG1 GLU 251.A OE2 no hydrogen 3.243 N/A ASN 212.A N THR 210.A OG1 no hydrogen 3.137 N/A ASN 212.A ND2 GLU 251.A OE2 no hydrogen 2.792 N/A GLY 213.A N THR 210.A O no hydrogen 3.195 N/A PHE 215.A N LEU 208.A O no hydrogen 2.950 N/A ALA 217.A N ALA 206.A O no hydrogen 2.811 N/A GLU 223.A N PHE 220.A O no hydrogen 3.175 N/A TYR 226.A N VAL 267.A O no hydrogen 2.733 N/A ASP 227.A N VAL 267.A O no hydrogen 2.999 N/A THR 229.A N ASP 227.A OD1 no hydrogen 3.081 N/A THR 229.A OG1 TYR 86.A OH no hydrogen 2.718 N/A THR 229.A OG1 ASP 227.A OD1 no hydrogen 2.654 N/A ALA 231.A N PRO 228.A O no hydrogen 2.975 N/A THR 234.A N GLY 230.A O no hydrogen 2.775 N/A THR 234.A OG1 GLY 230.A O no hydrogen 3.243 N/A THR 234.A OG1 ALA 231.A O no hydrogen 2.857 N/A PHE 235.A N ALA 231.A O no hydrogen 2.974 N/A ALA 236.A N GLY 232.A O no hydrogen 3.164 N/A GLY 237.A N ASP 233.A O no hydrogen 2.960 N/A GLY 238.A N THR 234.A O no hydrogen 3.010 N/A PHE 239.A N PHE 235.A O no hydrogen 2.901 N/A ILE 240.A N ALA 236.A O no hydrogen 2.938 N/A GLY 241.A N GLY 237.A O no hydrogen 2.813 N/A HIS 242.A N GLY 238.A O no hydrogen 2.885 N/A HIS 242.A NE2 GLU 253.A OE1 no hydrogen 2.889 N/A LEU 243.A N PHE 239.A O no hydrogen 3.284 N/A ALA 244.A N ILE 240.A O no hydrogen 2.812 N/A ARG 245.A N GLY 241.A O no hydrogen 2.878 N/A ARG 245.A NH1 PHE 39.A O no hydrogen 3.131 N/A ARG 245.A NH1 ASP 41.A OD1 no hydrogen 3.019 N/A CYS 246.A N HIS 242.A O no hydrogen 3.016 N/A CYS 246.A SG HIS 242.A O no hydrogen 3.622 N/A CYS 246.A SG LEU 243.A O no hydrogen 3.884 N/A CYS 246.A SG ASN 248.A O no hydrogen 3.417 N/A CYS 246.A SG GLU 253.A OE1 no hydrogen 3.431 N/A SER 250.A N ASN 248.A OD1 no hydrogen 2.582 N/A SER 250.A OG ASN 248.A OD1 no hydrogen 3.054 N/A GLU 253.A N SER 250.A OG no hydrogen 3.280 N/A LYS 255.A N ALA 252.A O no hydrogen 3.214 N/A ALA 256.A N GLU 253.A O no hydrogen 2.799 N/A LEU 258.A N ARG 254.A O no hydrogen 3.192 N/A TYR 259.A N LYS 255.A O no hydrogen 2.946 N/A GLY 260.A N ALA 256.A O no hydrogen 2.951 N/A SER 261.A N VAL 257.A O no hydrogen 2.905 N/A SER 261.A OG VAL 257.A O no hydrogen 2.962 N/A ALA 262.A N LEU 258.A O no hydrogen 2.943 N/A SER 264.A N SER 261.A O no hydrogen 2.868 N/A SER 264.A OG ALA 262.A O no hydrogen 2.729 N/A CYS 266.A SG THR 229.A O no hydrogen 3.306 N/A VAL 267.A N ALA 263.A O no hydrogen 3.312 N/A GLU 268.A N PHE 265.A O no hydrogen 3.047 N/A GLY 271.A N ASP 227.A OD2 no hydrogen 2.949 N/A ARG 274.A NE GLU 268.A OE1 no hydrogen 2.851 N/A ARG 274.A NH1 ARG 274.A O no hydrogen 3.250 N/A ARG 274.A NH2 GLU 282.A OE2 no hydrogen 2.980 N/A TYR 275.A N PRO 272.A O no hydrogen 3.191 N/A ASN 276.A N TYR 273.A O no hydrogen 3.110 N/A ASP 279.A N GLU 282.A OE1 no hydrogen 2.854 N/A GLU 282.A N ASP 279.A OD1 no hydrogen 2.845 N/A VAL 283.A N ASP 279.A O no hydrogen 3.072 N/A ASP 284.A N LEU 280.A O no hydrogen 2.801 N/A ASP 285.A N LEU 281.A O no hydrogen 2.970 N/A ARG 286.A N GLU 282.A O no hydrogen 3.023 N/A ARG 286.A NH1 SER 264.A OG no hydrogen 2.669 N/A TYR 287.A N VAL 283.A O no hydrogen 2.971 N/A GLN 288.A N ASP 284.A O no hydrogen 3.097 N/A SER 289.A N ASP 285.A O no hydrogen 3.201 N/A SER 289.A OG ASP 285.A O no hydrogen 3.506 N/A PHE 290.A N ARG 286.A O no hydrogen 3.154 N/A LEU 291.A N TYR 287.A O no hydrogen 2.801 N/A GLU 292.A N GLN 288.A O no hydrogen 2.798 N/A LEU 293.A N SER 289.A O no hydrogen 2.937 N/A SER 294.A N PHE 290.A O no hydrogen 2.994 N/A SER 294.A N LEU 291.A O no hydrogen 2.829 N/A SER 294.A OG PHE 290.A O no hydrogen 3.487 N/A SER 294.A OG LEU 291.A O no hydrogen 2.673 N/A