Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3szo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLY 286.A O no hydrogen 3.558 N/A GLN 2.A N LYS 260.A O no hydrogen 2.813 N/A LEU 4.A N VAL 262.A O no hydrogen 2.943 N/A LEU 5.A N ILE 291.A O no hydrogen 2.854 N/A ALA 6.A N VAL 264.A O no hydrogen 2.954 N/A ASN 7.A ND2 LEU 293.A O no hydrogen 2.951 N/A ARG 9.A NH1 ALA 6.A O no hydrogen 3.008 N/A GLY 10.A N ALA 266.A O no hydrogen 2.880 N/A CYS 12.A SG ALA 268.A O no hydrogen 3.927 N/A ALA 13.A N TYR 198.A OH no hydrogen 2.948 N/A ASP 16.A N CYS 12.A O no hydrogen 3.083 N/A ARG 17.A N ALA 13.A O no hydrogen 3.134 N/A ARG 17.A NE GLU 303.A O no hydrogen 2.967 N/A ARG 17.A NH2 THR 95.A O no hydrogen 3.009 N/A ALA 18.A N GLY 14.A O no hydrogen 2.992 N/A ILE 19.A N VAL 15.A O no hydrogen 2.985 N/A SER 20.A N ASP 16.A O no hydrogen 3.148 N/A SER 20.A OG ASP 16.A O no hydrogen 2.936 N/A ILE 21.A N ARG 17.A O no hydrogen 2.922 N/A VAL 22.A N ALA 18.A O no hydrogen 3.261 N/A GLU 23.A N ILE 19.A O no hydrogen 2.933 N/A ASN 24.A N SER 20.A O no hydrogen 2.787 N/A ASN 24.A ND2 LEU 308.A O no hydrogen 2.841 N/A ALA 25.A N ILE 21.A O no hydrogen 2.978 N/A LEU 26.A N VAL 22.A O no hydrogen 3.000 N/A ALA 27.A N GLU 23.A O no hydrogen 3.069 N/A ILE 28.A N ASN 24.A O no hydrogen 2.899 N/A TYR 29.A N ALA 25.A O no hydrogen 2.904 N/A GLY 30.A N LEU 26.A O no hydrogen 2.925 N/A ILE 33.A N GLY 53.A O no hydrogen 3.117 N/A TYR 34.A N ILE 68.A O no hydrogen 2.992 N/A VAL 35.A N ILE 55.A O no hydrogen 2.929 N/A ARG 36.A N ILE 70.A O no hydrogen 2.822 N/A HIS 37.A N ILE 57.A O no hydrogen 2.737 N/A ASN 42.A N VAL 40.A O no hydrogen 2.930 N/A ARG 43.A N SER 222.A OG no hydrogen 2.915 N/A VAL 46.A N ASN 42.A O no hydrogen 2.893 N/A ASP 47.A N ARG 43.A O no hydrogen 2.739 N/A SER 48.A N TYR 44.A O no hydrogen 3.112 N/A SER 48.A OG TYR 44.A O no hydrogen 2.702 N/A LEU 49.A N VAL 45.A O no hydrogen 2.911 N/A ARG 50.A N VAL 46.A O no hydrogen 2.903 N/A GLU 51.A N ASP 47.A O no hydrogen 3.136 N/A ARG 52.A N SER 48.A O no hydrogen 3.282 N/A ARG 52.A NH2 GLU 23.A OE2 no hydrogen 2.855 N/A GLY 53.A N ARG 50.A O no hydrogen 3.015 N/A ALA 54.A N LEU 49.A O no hydrogen 2.901 N/A ILE 55.A N ILE 33.A O no hydrogen 2.806 N/A ILE 57.A N VAL 35.A O no hydrogen 2.943 N/A GLU 58.A N GLU 62.A OE2 no hydrogen 2.947 N/A GLN 59.A N GLU 62.A OE2 no hydrogen 2.912 N/A GLU 62.A N GLN 59.A O no hydrogen 3.073 N/A VAL 63.A N ILE 60.A O no hydrogen 2.980 N/A GLY 66.A N ASP 88.A O no hydrogen 3.049 N/A LEU 69.A N THR 90.A O no hydrogen 2.783 N/A ILE 70.A N TYR 34.A O no hydrogen 2.798 N/A PHE 71.A N PHE 92.A O no hydrogen 3.036 N/A SER 72.A N ARG 36.A O no hydrogen 3.253 N/A SER 72.A OG HIS 74.A ND1 no hydrogen 2.789 N/A ALA 73.A N VAL 39.A O no hydrogen 3.092 N/A HIS 74.A N SER 72.A OG no hydrogen 3.410 N/A HIS 74.A ND1 SER 72.A OG no hydrogen 2.789 N/A GLY 75.A N SER 72.A O no hydrogen 3.136 N/A GLN 78.A N GLY 132.A O no hydrogen 3.095 N/A VAL 80.A N SER 77.A OG no hydrogen 3.050 N/A ARG 81.A N SER 77.A O no hydrogen 2.954 N/A ARG 81.A NH2 ASP 93.A OD1 no hydrogen 3.015 N/A ASN 82.A N GLN 78.A O no hydrogen 2.761 N/A GLU 83.A N ALA 79.A O no hydrogen 2.914 N/A ALA 84.A N VAL 80.A O no hydrogen 2.927 N/A LYS 85.A N ARG 81.A O no hydrogen 2.892 N/A SER 86.A N ASN 82.A O no hydrogen 2.766 N/A SER 86.A OG GLU 83.A O no hydrogen 2.840 N/A ARG 87.A N GLU 83.A O no hydrogen 3.280 N/A ARG 87.A N ALA 84.A O no hydrogen 3.282 N/A ARG 87.A NE ASP 65.A OD1 no hydrogen 3.322 N/A ARG 87.A NH1 ILE 60.A O no hydrogen 3.054 N/A ARG 87.A NH1 VAL 63.A O no hydrogen 3.343 N/A ARG 87.A NH2 VAL 63.A O no hydrogen 2.606 N/A ARG 87.A NH2 ASP 65.A OD1 no hydrogen 2.741 N/A THR 90.A N ALA 67.A O no hydrogen 2.950 N/A PHE 92.A N LEU 69.A O no hydrogen 2.857 N/A ALA 94.A N PHE 71.A O no hydrogen 2.938 N/A THR 95.A N ASP 93.A OD2 no hydrogen 2.904 N/A THR 95.A OG1 ASP 93.A OD2 no hydrogen 2.561 N/A CYS 96.A N ALA 73.A O no hydrogen 3.016 N/A VAL 99.A N CYS 96.A O no hydrogen 2.899 N/A THR 100.A N CYS 96.A O no hydrogen 3.068 N/A THR 100.A OG1 CYS 96.A O no hydrogen 3.377 N/A LYS 101.A N PRO 97.A O no hydrogen 2.994 N/A HIS 103.A N VAL 99.A O no hydrogen 3.101 N/A MET 104.A N THR 100.A O no hydrogen 2.985 N/A VAL 106.A N VAL 102.A O no hydrogen 3.152 N/A ALA 107.A N HIS 103.A O no hydrogen 2.947 N/A ARG 108.A N MET 104.A O no hydrogen 3.185 N/A ALA 109.A N GLU 105.A O no hydrogen 3.102 N/A SER 110.A N VAL 106.A O no hydrogen 3.006 N/A ARG 111.A N ALA 107.A O no hydrogen 2.901 N/A ARG 112.A N ARG 108.A O no hydrogen 3.142 N/A ARG 112.A N ALA 109.A O no hydrogen 3.171 N/A GLY 113.A N SER 110.A O no hydrogen 3.004 N/A GLU 114.A N ALA 109.A O no hydrogen 2.989 N/A SER 116.A N GLY 140.A O no hydrogen 2.905 N/A SER 116.A OG SER 162.A OG no hydrogen 3.095 N/A ILE 117.A N SER 162.A O no hydrogen 2.825 N/A LEU 118.A N TYR 142.A O no hydrogen 2.753 N/A ILE 119.A N MET 164.A O no hydrogen 2.887 N/A GLY 120.A N VAL 144.A O no hydrogen 3.047 N/A HIS 121.A N GLN 166.A OE1 no hydrogen 2.915 N/A ALA 122.A N GLU 145.A OE1 no hydrogen 3.192 N/A HIS 124.A N HIS 121.A O no hydrogen 3.275 N/A GLU 126.A N HIS 124.A ND1 no hydrogen 2.882 N/A GLU 128.A N HIS 124.A O no hydrogen 2.953 N/A GLY 129.A N PRO 125.A O no hydrogen 2.971 N/A THR 130.A N GLU 126.A O no hydrogen 2.932 N/A THR 130.A OG1 GLU 126.A O no hydrogen 3.163 N/A MET 131.A N VAL 127.A O no hydrogen 2.856 N/A GLY 132.A N GLU 128.A O no hydrogen 2.954 N/A GLN 133.A N THR 130.A O no hydrogen 2.970 N/A GLN 133.A NE2 GLN 78.A OE1 no hydrogen 2.900 N/A TYR 134.A N MET 131.A O no hydrogen 3.128 N/A TYR 134.A OH GLU 114.A O no hydrogen 2.610 N/A SER 135.A N SER 110.A OG no hydrogen 2.879 N/A ASN 136.A N SER 110.A OG no hydrogen 3.174 N/A GLY 139.A N ASN 136.A O no hydrogen 3.141 N/A GLY 140.A N TYR 134.A OH no hydrogen 2.951 N/A TYR 142.A N SER 116.A O no hydrogen 2.936 N/A TYR 142.A OH GLU 115.A OE1 no hydrogen 2.564 N/A VAL 144.A N LEU 118.A O no hydrogen 2.979 N/A GLU 145.A N ASP 149.A OD2 no hydrogen 2.765 N/A ASP 149.A N SER 146.A OG no hydrogen 3.331 N/A VAL 150.A N SER 146.A O no hydrogen 3.240 N/A TRP 151.A N PRO 147.A O no hydrogen 2.884 N/A LYS 152.A N ASP 148.A O no hydrogen 3.236 N/A LYS 152.A N ASP 149.A O no hydrogen 3.300 N/A LYS 152.A NZ ASP 149.A OD1 no hydrogen 3.396 N/A LEU 153.A N VAL 150.A O no hydrogen 3.112 N/A LYS 156.A N GLU 115.A OE1 no hydrogen 2.743 N/A LYS 156.A NZ GLU 138.A O no hydrogen 3.147 N/A LYS 156.A NZ GLY 139.A O no hydrogen 2.923 N/A ASN 157.A N GLU 115.A OE2 no hydrogen 2.888 N/A GLU 159.A N ASN 157.A OD1 no hydrogen 2.962 N/A LYS 160.A N ASN 157.A O no hydrogen 3.134 N/A SER 162.A N GLU 115.A O no hydrogen 3.251 N/A SER 162.A OG SER 116.A OG no hydrogen 3.095 N/A PHE 163.A N VAL 189.A O no hydrogen 2.875 N/A MET 164.A N ILE 117.A O no hydrogen 2.888 N/A THR 165.A N ASP 195.A OD1 no hydrogen 2.819 N/A THR 165.A OG1 GLN 166.A O no hydrogen 2.910 N/A GLN 166.A N ILE 119.A O no hydrogen 2.875 N/A THR 167.A N GLU 126.A OE1 no hydrogen 2.824 N/A THR 167.A OG1 GLU 126.A OE1 no hydrogen 3.333 N/A THR 167.A OG1 GLU 126.A OE2 no hydrogen 2.699 N/A THR 168.A OG1 SER 226.A OG no hydrogen 3.046 N/A VAL 171.A N GLN 204.A OE1 no hydrogen 2.891 N/A ASP 173.A N SER 170.A OG no hydrogen 2.979 N/A THR 174.A N SER 170.A O no hydrogen 3.012 N/A THR 174.A OG1 SER 170.A O no hydrogen 2.715 N/A SER 175.A N VAL 171.A O no hydrogen 3.170 N/A ASP 176.A N ASP 172.A O no hydrogen 3.339 N/A VAL 177.A N ASP 173.A O no hydrogen 3.077 N/A ILE 178.A N THR 174.A O no hydrogen 2.882 N/A ASP 179.A N SER 175.A O no hydrogen 2.999 N/A ALA 180.A N ASP 176.A O no hydrogen 3.128 N/A LEU 181.A N VAL 177.A O no hydrogen 2.920 N/A ARG 182.A N ILE 178.A O no hydrogen 2.900 N/A LYS 183.A N ASP 179.A O no hydrogen 3.130 N/A ARG 184.A N ALA 180.A O no hydrogen 2.917 N/A ARG 184.A NE LEU 153.A O no hydrogen 3.099 N/A ARG 184.A NH1 LEU 153.A O no hydrogen 2.857 N/A PHE 185.A N LEU 181.A O no hydrogen 2.697 N/A ILE 188.A N PHE 185.A O no hydrogen 2.953 N/A VAL 189.A N LEU 161.A O no hydrogen 2.908 N/A ASP 195.A N THR 165.A OG1 no hydrogen 3.004 N/A ILE 196.A N ASP 194.A OD1 no hydrogen 2.955 N/A CYS 197.A N THR 167.A O no hydrogen 3.078 N/A CYS 197.A SG THR 167.A O no hydrogen 3.818 N/A CYS 197.A SG THR 200.A OG1 no hydrogen 3.260 N/A THR 200.A OG1 THR 167.A O no hydrogen 3.014 N/A THR 201.A N CYS 197.A O no hydrogen 3.048 N/A THR 201.A OG1 CYS 197.A O no hydrogen 3.358 N/A ASN 202.A N TYR 198.A O no hydrogen 2.791 N/A ASN 202.A ND2 GLU 298.A OE2 no hydrogen 2.902 N/A ARG 203.A N ALA 199.A O no hydrogen 2.873 N/A ARG 203.A NE GLY 10.A O no hydrogen 2.805 N/A ARG 203.A NH1 GLY 10.A O no hydrogen 2.981 N/A ARG 203.A NH1 PHE 11.A O no hydrogen 3.267 N/A ARG 203.A NH1 GLU 298.A OE1 no hydrogen 2.902 N/A ARG 203.A NH2 ALA 199.A O no hydrogen 2.965 N/A ARG 203.A NH2 GLU 298.A OE1 no hydrogen 3.428 N/A ARG 203.A NH2 GLU 298.A OE2 no hydrogen 2.790 N/A GLN 204.A N THR 200.A O no hydrogen 3.015 N/A GLN 204.A NE2 LEU 169.A O no hydrogen 2.925 N/A GLU 205.A N THR 201.A O no hydrogen 2.982 N/A ALA 206.A N ASN 202.A O no hydrogen 2.889 N/A VAL 207.A N ARG 203.A O no hydrogen 2.910 N/A ARG 208.A N GLN 204.A O no hydrogen 3.024 N/A ALA 209.A N GLU 205.A O no hydrogen 3.188 N/A LEU 210.A N ALA 206.A O no hydrogen 2.970 N/A ALA 211.A N VAL 207.A O no hydrogen 2.809 N/A GLU 212.A N ARG 208.A O no hydrogen 3.233 N/A GLN 213.A N LEU 210.A O no hydrogen 3.001 N/A ALA 214.A N LEU 210.A O no hydrogen 2.922 N/A GLU 215.A N CYS 261.A O no hydrogen 2.902 N/A VAL 217.A N ARG 241.A O no hydrogen 2.891 N/A LEU 218.A N GLY 263.A O no hydrogen 2.835 N/A VAL 219.A N PHE 243.A O no hydrogen 2.741 N/A VAL 220.A N THR 265.A O no hydrogen 2.868 N/A GLY 221.A N ILE 245.A O no hydrogen 2.822 N/A SER 222.A OG ASP 246.A OD1 no hydrogen 2.657 N/A ASN 224.A ND2 GLU 38.A OE1 no hydrogen 2.854 N/A SER 225.A N SER 222.A O no hydrogen 3.042 N/A SER 225.A OG SER 228.A OG no hydrogen 2.736 N/A SER 226.A OG THR 168.A OG1 no hydrogen 3.046 N/A SER 228.A N SER 225.A OG no hydrogen 3.264 N/A SER 228.A OG SER 225.A OG no hydrogen 2.736 N/A ASN 229.A N SER 225.A O no hydrogen 3.009 N/A ARG 230.A N SER 226.A O no hydrogen 3.097 N/A ARG 230.A NH2 GLU 233.A OE1 no hydrogen 3.183 N/A LEU 231.A N ASN 227.A O no hydrogen 3.332 N/A LEU 231.A N SER 228.A O no hydrogen 3.032 N/A ALA 232.A N SER 228.A O no hydrogen 3.323 N/A GLU 233.A N ASN 229.A O no hydrogen 2.906 N/A LEU 234.A N ARG 230.A O no hydrogen 2.996 N/A ALA 235.A N LEU 231.A O no hydrogen 3.259 N/A GLN 236.A N ALA 232.A O no hydrogen 2.935 N/A ARG 237.A N GLU 233.A O no hydrogen 2.997 N/A ARG 237.A NH1 ASP 173.A OD1 no hydrogen 2.930 N/A ARG 237.A NH2 ASP 173.A OD1 no hydrogen 3.222 N/A ARG 237.A NH2 ASP 173.A OD2 no hydrogen 2.851 N/A MET 238.A N LEU 234.A O no hydrogen 3.236 N/A MET 238.A N ALA 235.A O no hydrogen 3.120 N/A GLY 239.A N GLN 236.A O no hydrogen 2.851 N/A LYS 240.A N ALA 235.A O no hydrogen 3.178 N/A LYS 240.A NZ ALA 211.A O no hydrogen 2.542 N/A LYS 240.A NZ ALA 214.A O no hydrogen 2.919 N/A ARG 241.A NH1 GLU 254.A OE2 no hydrogen 2.879 N/A ARG 241.A NH2 GLU 254.A OE1 no hydrogen 3.195 N/A ARG 241.A NH2 GLU 254.A OE2 no hydrogen 3.342 N/A PHE 243.A N VAL 217.A O no hydrogen 2.916 N/A ILE 245.A N VAL 219.A O no hydrogen 2.898 N/A ASP 246.A N ASP 250.A OD2 no hydrogen 2.922 N/A ASP 247.A N ASP 250.A OD2 no hydrogen 3.442 N/A LYS 249.A N ASP 247.A OD1 no hydrogen 3.203 N/A ASP 250.A N ASP 247.A O no hydrogen 3.043 N/A ILE 251.A N ALA 248.A O no hydrogen 3.073 N/A TRP 255.A N GLN 252.A O no hydrogen 2.917 N/A VAL 256.A N GLU 253.A O no hydrogen 2.979 N/A LYS 257.A N GLU 253.A O no hydrogen 3.034 N/A VAL 259.A N VAL 256.A O no hydrogen 3.074 N/A LYS 260.A N GLU 215.A OE1 no hydrogen 2.891 N/A LYS 260.A N GLU 215.A OE2 no hydrogen 3.390 N/A CYS 261.A N GLU 215.A OE1 no hydrogen 2.892 N/A CYS 261.A SG GLN 213.A O no hydrogen 3.425 N/A VAL 262.A N GLN 2.A O no hydrogen 2.829 N/A GLY 263.A N VAL 216.A O no hydrogen 2.789 N/A VAL 264.A N LEU 4.A O no hydrogen 2.813 N/A THR 265.A N LEU 218.A O no hydrogen 2.909 N/A GLY 267.A N VAL 220.A O no hydrogen 2.919 N/A ALA 268.A N ASN 227.A OD1 no hydrogen 2.874 N/A SER 269.A OG HIS 41.A O no hydrogen 3.444 N/A ALA 270.A N GLY 267.A O no hydrogen 3.196 N/A LEU 274.A N PRO 271.A O no hydrogen 3.042 N/A GLN 276.A N ASP 272.A O no hydrogen 2.939 N/A GLN 276.A NE2 ASP 272.A OD1 no hydrogen 2.994 N/A ASN 277.A N ILE 273.A O no hydrogen 2.959 N/A VAL 278.A N LEU 274.A O no hydrogen 2.962 N/A VAL 279.A N VAL 275.A O no hydrogen 2.909 N/A ALA 280.A N GLN 276.A O no hydrogen 3.017 N/A ARG 281.A N ASN 277.A O no hydrogen 3.084 N/A ARG 281.A NE GLN 284.A OE1 no hydrogen 2.903 N/A ARG 281.A NH2 GLN 284.A OE1 no hydrogen 3.003 N/A LEU 282.A N VAL 278.A O no hydrogen 2.944 N/A GLN 283.A N VAL 279.A O no hydrogen 2.871 N/A GLN 284.A N ALA 280.A O no hydrogen 3.044 N/A LEU 285.A N ARG 281.A O no hydrogen 3.058 N/A LEU 285.A N LEU 282.A O no hydrogen 3.083 N/A GLY 286.A N GLN 283.A O no hydrogen 2.948 N/A GLY 287.A N LEU 282.A O no hydrogen 2.855 N/A GLY 288.A N MET 1.A O no hydrogen 3.085 N/A ILE 291.A N ILE 3.A O no hydrogen 2.864 N/A LEU 293.A N LEU 5.A O no hydrogen 2.903 N/A ARG 296.A NH1 GLU 205.A OE1 no hydrogen 2.817 N/A ARG 296.A NH1 GLU 205.A OE2 no hydrogen 3.184 N/A LEU 308.A N PRO 305.A O no hydrogen 2.862 N/A ARG 309.A N LYS 306.A O no hydrogen 3.112 N/A