Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1np3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N ILE 178.A O no hydrogen 2.757 N/A TYR 5.A N ASP 8.A OD2 no hydrogen 2.879 N/A ASP 6.A N GLY 174.A O no hydrogen 2.853 N/A ASP 8.A N TYR 5.A O no hydrogen 2.715 N/A CYS 9.A N ASP 6.A O no hydrogen 3.068 N/A CYS 9.A SG TYR 5.A O no hydrogen 3.305 N/A CYS 9.A SG LEU 165.A O no hydrogen 3.329 N/A SER 12.A N ASP 10.A OD1 no hydrogen 3.179 N/A SER 12.A OG ASP 10.A OD1 no hydrogen 2.545 N/A SER 12.A OG ASP 10.A OD2 no hydrogen 2.904 N/A ILE 13.A N ASP 10.A O no hydrogen 2.978 N/A ILE 14.A N SER 166.A OG no hydrogen 2.805 N/A GLN 15.A N LEU 11.A O no hydrogen 3.089 N/A GLN 15.A NE2 SER 38.A O no hydrogen 2.697 N/A GLY 16.A N SER 12.A O no hydrogen 3.117 N/A GLY 16.A N ILE 13.A O no hydrogen 3.154 N/A LYS 17.A N ILE 14.A O no hydrogen 3.055 N/A LYS 18.A N ASP 74.A OD2 no hydrogen 3.009 N/A VAL 19.A N ASP 41.A O no hydrogen 2.951 N/A ALA 20.A N VAL 75.A O no hydrogen 2.838 N/A ILE 21.A N THR 43.A O no hydrogen 2.879 N/A ILE 22.A N MET 77.A O no hydrogen 3.026 N/A GLN 27.A NE2 ALA 131.A O no hydrogen 3.251 N/A GLN 27.A NE2 PRO 132.A O no hydrogen 2.887 N/A HIS 29.A N GLY 25.A O no hydrogen 3.128 N/A HIS 29.A ND1 TYR 24.A OH no hydrogen 2.627 N/A ALA 30.A N SER 26.A O no hydrogen 3.236 N/A HIS 31.A N GLN 27.A O no hydrogen 2.889 N/A HIS 31.A ND1 TYR 167.A OH no hydrogen 2.793 N/A ALA 32.A N GLY 28.A O no hydrogen 2.920 N/A CYS 33.A N HIS 29.A O no hydrogen 2.918 N/A ASN 34.A N ALA 30.A O no hydrogen 2.935 N/A ASN 34.A ND2 VAL 136.A O no hydrogen 3.135 N/A ASN 34.A ND2 VAL 171.A O no hydrogen 3.127 N/A LEU 35.A N HIS 31.A O no hydrogen 2.964 N/A LYS 36.A N ALA 32.A O no hydrogen 2.985 N/A ASP 37.A N CYS 33.A O no hydrogen 2.974 N/A SER 38.A N ASN 34.A O no hydrogen 3.082 N/A SER 38.A OG ASN 34.A O no hydrogen 2.702 N/A SER 38.A OG GLY 170.A O no hydrogen 2.715 N/A GLY 39.A N LYS 36.A O no hydrogen 2.644 N/A VAL 40.A N LEU 35.A O no hydrogen 2.991 N/A THR 43.A N VAL 19.A O no hydrogen 2.938 N/A VAL 44.A N LYS 62.A O no hydrogen 2.808 N/A GLY 45.A N ILE 21.A O no hydrogen 2.867 N/A LEU 46.A N ALA 64.A O no hydrogen 2.988 N/A VAL 53.A N SER 50.A O no hydrogen 2.855 N/A ALA 56.A N THR 52.A O no hydrogen 3.065 N/A GLU 57.A N VAL 53.A O no hydrogen 3.269 N/A ALA 58.A N ALA 54.A O no hydrogen 2.891 N/A HIS 59.A N ALA 56.A O no hydrogen 2.833 N/A HIS 59.A ND1 LYS 55.A O no hydrogen 2.571 N/A GLY 60.A N GLU 57.A O no hydrogen 3.106 N/A LEU 61.A N ALA 56.A O no hydrogen 3.371 N/A LYS 62.A NZ ASP 41.A OD1 no hydrogen 2.804 N/A LYS 62.A NZ ASP 41.A OD2 no hydrogen 3.516 N/A ALA 64.A N VAL 44.A O no hydrogen 3.072 N/A LYS 67.A NZ GLU 92.A OE2 no hydrogen 2.741 N/A ALA 69.A N ASP 65.A O no hydrogen 2.771 N/A VAL 70.A N VAL 66.A O no hydrogen 2.738 N/A ALA 71.A N LYS 67.A O no hydrogen 2.756 N/A ALA 73.A N VAL 70.A O no hydrogen 3.004 N/A ASP 74.A N LYS 18.A O no hydrogen 2.771 N/A VAL 75.A N LYS 18.A O no hydrogen 3.156 N/A VAL 76.A N THR 102.A O no hydrogen 2.796 N/A MET 77.A N ALA 20.A O no hydrogen 2.932 N/A ILE 78.A N ALA 104.A O no hydrogen 2.819 N/A LEU 79.A N ILE 22.A O no hydrogen 2.916 N/A GLU 83.A N GLU 83.A OE1 no hydrogen 2.746 N/A PHE 84.A N PRO 81.A O no hydrogen 3.001 N/A GLN 85.A N ASP 82.A O no hydrogen 3.074 N/A GLN 85.A NE2 THR 80.A O no hydrogen 2.832 N/A LEU 88.A N PHE 84.A O no hydrogen 3.085 N/A TYR 89.A N GLN 85.A O no hydrogen 2.813 N/A LYS 90.A N GLY 86.A O no hydrogen 3.108 N/A LYS 90.A NZ GLY 86.A O no hydrogen 3.260 N/A GLU 91.A N ARG 87.A O no hydrogen 2.829 N/A GLU 92.A N LEU 88.A O no hydrogen 2.812 N/A ILE 93.A N LEU 88.A O no hydrogen 3.134 N/A ILE 93.A N TYR 89.A O no hydrogen 3.362 N/A GLU 94.A N TYR 89.A O no hydrogen 2.756 N/A ASN 96.A N ILE 93.A O no hydrogen 2.868 N/A ASN 96.A ND2 GLU 92.A O no hydrogen 3.079 N/A LEU 97.A N GLU 94.A O no hydrogen 3.129 N/A GLY 100.A N ASP 121.A OD2 no hydrogen 2.714 N/A ALA 101.A N LYS 98.A O no hydrogen 3.117 N/A THR 102.A N ASP 74.A O no hydrogen 2.718 N/A LEU 103.A N ASP 123.A O no hydrogen 2.791 N/A ALA 104.A N VAL 76.A O no hydrogen 2.843 N/A PHE 105.A N ILE 125.A O no hydrogen 2.998 N/A HIS 107.A ND1 GLU 186.A OE2 no hydrogen 2.595 N/A GLY 108.A N GLU 186.A OE1 no hydrogen 2.858 N/A SER 110.A OG GLN 85.A OE1 no hydrogen 2.607 N/A HIS 112.A N GLY 108.A O no hydrogen 2.786 N/A HIS 112.A NE2 GLU 188.A OE1 no hydrogen 2.917 N/A TYR 113.A N PHE 109.A O no hydrogen 2.956 N/A TYR 113.A OH ILE 281.A O no hydrogen 2.899 N/A ASN 114.A N ILE 111.A O no hydrogen 3.413 N/A GLN 115.A N SER 110.A O no hydrogen 2.850 N/A GLN 115.A NE2 TYR 113.A O no hydrogen 2.805 N/A VAL 116.A N SER 110.A O no hydrogen 3.037 N/A ARG 119.A NE GLU 94.A OE2 no hydrogen 3.279 N/A ARG 119.A NH1 LEU 97.A O no hydrogen 3.252 N/A ARG 119.A NH1 ASP 121.A OD1 no hydrogen 3.314 N/A ARG 119.A NH1 ASP 121.A OD2 no hydrogen 2.913 N/A ARG 119.A NH2 GLU 94.A O no hydrogen 2.957 N/A ARG 119.A NH2 GLU 94.A OE2 no hydrogen 3.088 N/A ARG 119.A NH2 LEU 97.A O no hydrogen 2.587 N/A LEU 122.A N ARG 119.A O no hydrogen 3.256 N/A ASP 123.A N ALA 101.A O no hydrogen 3.140 N/A VAL 124.A N GLN 154.A O no hydrogen 2.736 N/A ILE 125.A N LEU 103.A O no hydrogen 2.912 N/A MET 126.A N ALA 151.A O no hydrogen 2.733 N/A ILE 127.A N PHE 105.A O no hydrogen 3.054 N/A ALA 128.A N LEU 149.A O no hydrogen 2.839 N/A LYS 130.A N PRO 147.A O no hydrogen 2.946 N/A ARG 137.A N GLY 133.A O no hydrogen 2.813 N/A ARG 137.A NH1 ASP 37.A OD1 no hydrogen 3.116 N/A ARG 137.A NH2 ASN 34.A OD1 no hydrogen 3.176 N/A ARG 137.A NH2 ASP 37.A OD1 no hydrogen 2.702 N/A SER 138.A N HIS 134.A O no hydrogen 2.856 N/A SER 138.A OG HIS 134.A O no hydrogen 2.519 N/A GLU 139.A N THR 135.A O no hydrogen 2.988 N/A VAL 141.A N ARG 137.A O no hydrogen 2.874 N/A LYS 142.A N SER 138.A O no hydrogen 3.059 N/A GLY 143.A N PHE 140.A O no hydrogen 2.784 N/A GLY 144.A N GLU 139.A O no hydrogen 2.521 N/A ASP 148.A N GLY 177.A O no hydrogen 3.047 N/A LEU 149.A N ALA 128.A O no hydrogen 2.787 N/A ILE 150.A N ILE 179.A O no hydrogen 2.735 N/A ALA 151.A N MET 126.A O no hydrogen 3.148 N/A TYR 153.A N VAL 124.A O no hydrogen 2.758 N/A GLN 154.A N VAL 124.A O no hydrogen 3.208 N/A GLN 154.A NE2 ARG 119.A O no hydrogen 2.968 N/A GLN 154.A NE2 LEU 122.A O no hydrogen 2.548 N/A SER 157.A N ASP 123.A OD1 no hydrogen 2.815 N/A SER 157.A OG ASP 123.A OD1 no hydrogen 3.418 N/A SER 157.A OG ASP 123.A OD2 no hydrogen 2.590 N/A GLY 158.A N ASP 155.A OD1 no hydrogen 2.695 N/A ASN 159.A N SER 157.A OG no hydrogen 2.929 N/A ALA 160.A N ASP 155.A OD1 no hydrogen 2.988 N/A LYS 161.A NZ GLU 180.A OE1 no hydrogen 3.362 N/A LYS 161.A NZ GLU 180.A OE2 no hydrogen 3.027 N/A ASN 162.A ND2 ASN 159.A OD1 no hydrogen 2.940 N/A VAL 163.A N ASN 159.A O no hydrogen 3.169 N/A ALA 164.A N ALA 160.A O no hydrogen 2.951 N/A LEU 165.A N LYS 161.A O no hydrogen 2.942 N/A SER 166.A N ASN 162.A O no hydrogen 2.878 N/A SER 166.A OG ASP 10.A O no hydrogen 2.862 N/A TYR 167.A N VAL 163.A O no hydrogen 2.791 N/A TYR 167.A OH HIS 31.A ND1 no hydrogen 2.793 N/A ALA 168.A N ALA 164.A O no hydrogen 2.908 N/A CYS 169.A N LEU 165.A O no hydrogen 2.955 N/A CYS 169.A SG ASP 6.A OD1 no hydrogen 3.191 N/A GLY 170.A N SER 166.A O no hydrogen 2.925 N/A VAL 171.A N ALA 168.A O no hydrogen 2.878 N/A GLY 172.A N CYS 169.A O no hydrogen 3.112 N/A ARG 175.A N GLY 172.A O no hydrogen 2.822 N/A ARG 175.A NH2 PHE 140.A O no hydrogen 3.108 N/A ARG 175.A NH2 GLY 144.A O no hydrogen 2.703 N/A THR 176.A N GLY 173.A O no hydrogen 3.254 N/A THR 176.A OG1 GLY 145.A O no hydrogen 2.456 N/A GLY 177.A N GLY 173.A O no hydrogen 2.621 N/A ILE 178.A N PHE 4.A O no hydrogen 2.848 N/A ILE 179.A N ASP 148.A O no hydrogen 2.793 N/A GLU 180.A N ARG 2.A O no hydrogen 3.100 N/A THR 181.A N ILE 150.A O no hydrogen 2.854 N/A THR 182.A N THR 181.A OG1 no hydrogen 2.715 N/A LYS 184.A NZ GLU 188.A OE1 no hydrogen 3.534 N/A LYS 184.A NZ GLU 188.A OE2 no hydrogen 2.890 N/A ASP 185.A N THR 182.A OG1 no hydrogen 3.010 N/A GLU 186.A N THR 182.A O no hydrogen 2.953 N/A THR 187.A N PHE 183.A O no hydrogen 2.953 N/A THR 187.A OG1 PHE 183.A O no hydrogen 2.639 N/A THR 187.A OG1 GLU 186.A OE1 no hydrogen 3.470 N/A GLU 188.A N LYS 184.A O no hydrogen 3.004 N/A THR 189.A N ASP 185.A O no hydrogen 3.089 N/A ASP 190.A N GLU 186.A O no hydrogen 3.030 N/A LEU 191.A N THR 187.A O no hydrogen 3.040 N/A PHE 192.A N GLU 188.A O no hydrogen 2.957 N/A GLY 193.A N THR 189.A O no hydrogen 2.819 N/A GLU 194.A N ASP 190.A O no hydrogen 3.193 N/A GLN 195.A N LEU 191.A O no hydrogen 3.106 N/A ALA 196.A N PHE 192.A O no hydrogen 2.807 N/A VAL 197.A N GLY 193.A O no hydrogen 2.955 N/A LEU 198.A N GLY 193.A O no hydrogen 2.940 N/A CYS 199.A N GLU 194.A O no hydrogen 2.817 N/A GLY 200.A N GLU 194.A O no hydrogen 2.990 N/A GLY 201.A N GLN 195.A O no hydrogen 3.178 N/A CYS 202.A N VAL 197.A O no hydrogen 2.793 N/A VAL 203.A N CYS 199.A O no hydrogen 2.933 N/A GLU 204.A N GLY 200.A O no hydrogen 3.132 N/A LEU 205.A N GLY 201.A O no hydrogen 2.896 N/A VAL 206.A N CYS 202.A O no hydrogen 2.958 N/A LYS 207.A N VAL 203.A O no hydrogen 2.931 N/A LYS 207.A NZ ASN 308.A OD1 no hydrogen 2.848 N/A ALA 208.A N GLU 204.A O no hydrogen 2.862 N/A GLY 209.A N LEU 205.A O no hydrogen 2.967 N/A PHE 210.A N VAL 206.A O no hydrogen 2.962 N/A GLU 211.A N LYS 207.A O no hydrogen 2.854 N/A THR 212.A N ALA 208.A O no hydrogen 2.970 N/A THR 212.A OG1 ALA 208.A O no hydrogen 2.668 N/A LEU 213.A N GLY 209.A O no hydrogen 3.181 N/A VAL 214.A N PHE 210.A O no hydrogen 2.997 N/A GLU 215.A N GLU 211.A O no hydrogen 2.855 N/A ALA 216.A N LEU 213.A O no hydrogen 3.122 N/A GLY 217.A N VAL 214.A O no hydrogen 2.912 N/A TYR 218.A N LEU 213.A O no hydrogen 3.059 N/A GLU 221.A N GLU 221.A OE2 no hydrogen 2.736 N/A ALA 223.A N ALA 219.A O no hydrogen 3.065 N/A TYR 224.A N PRO 220.A O no hydrogen 2.879 N/A PHE 225.A N GLU 221.A O no hydrogen 3.132 N/A GLU 226.A N MET 222.A O no hydrogen 3.007 N/A CYS 227.A N ALA 223.A O no hydrogen 2.956 N/A LEU 228.A N TYR 224.A O no hydrogen 2.976 N/A HIS 229.A N TYR 224.A O no hydrogen 3.014 N/A GLU 230.A N PHE 225.A O no hydrogen 3.034 N/A LEU 231.A N LEU 228.A O no hydrogen 2.999 N/A LYS 232.A NZ ASP 236.A OD1 no hydrogen 3.415 N/A LYS 232.A NZ ASP 236.A OD2 no hydrogen 2.781 N/A VAL 235.A N LEU 231.A O no hydrogen 3.075 N/A ASP 236.A N LYS 232.A O no hydrogen 2.783 N/A LEU 237.A N LEU 233.A O no hydrogen 2.983 N/A MET 238.A N ILE 234.A O no hydrogen 3.081 N/A TYR 239.A N VAL 235.A O no hydrogen 2.776 N/A GLU 240.A N ASP 236.A O no hydrogen 2.940 N/A GLY 241.A N LEU 237.A O no hydrogen 2.889 N/A GLY 242.A N MET 238.A O no hydrogen 2.801 N/A ASN 245.A ND2 LEU 237.A O no hydrogen 3.396 N/A MET 246.A N GLY 242.A O no hydrogen 3.128 N/A ASN 247.A N ILE 243.A O no hydrogen 2.913 N/A ASN 247.A ND2 GLU 258.A OE2 no hydrogen 2.972 N/A TYR 248.A N ALA 244.A O no hydrogen 3.051 N/A SER 249.A N ASN 245.A O no hydrogen 3.290 N/A SER 249.A N MET 246.A O no hydrogen 3.009 N/A SER 249.A OG ASN 245.A O no hydrogen 2.956 N/A ILE 250.A N MET 246.A O no hydrogen 3.264 N/A ALA 254.A N SER 251.A OG no hydrogen 3.095 N/A GLU 255.A N SER 251.A O no hydrogen 3.051 N/A TYR 256.A N ASN 252.A O no hydrogen 2.816 N/A GLY 257.A N ASN 253.A O no hydrogen 2.978 N/A GLU 258.A N ALA 254.A O no hydrogen 2.934 N/A TYR 259.A N GLU 255.A O no hydrogen 3.134 N/A TYR 259.A OH GLU 255.A OE1 no hydrogen 2.556 N/A VAL 260.A N TYR 256.A O no hydrogen 2.954 N/A THR 261.A N GLY 257.A O no hydrogen 2.876 N/A GLY 262.A N GLU 258.A O no hydrogen 2.904 N/A GLU 264.A N THR 261.A O no hydrogen 2.924 N/A VAL 265.A N THR 261.A O no hydrogen 3.106 N/A ILE 266.A N GLY 262.A O no hydrogen 3.021 N/A ASN 267.A N SER 270.A OG no hydrogen 3.296 N/A ASN 267.A ND2 GLU 264.A O no hydrogen 3.247 N/A SER 270.A N ASN 267.A OD1 no hydrogen 2.861 N/A SER 270.A OG VAL 265.A O no hydrogen 3.475 N/A SER 270.A OG ASN 267.A OD1 no hydrogen 3.297 N/A ARG 271.A N ASN 267.A O no hydrogen 2.900 N/A ALA 272.A N ALA 268.A O no hydrogen 2.884 N/A ALA 273.A N GLU 269.A O no hydrogen 2.911 N/A MET 274.A N SER 270.A O no hydrogen 2.961 N/A ARG 275.A N ARG 271.A O no hydrogen 3.066 N/A ASN 276.A N ALA 272.A O no hydrogen 2.941 N/A ALA 277.A N ALA 273.A O no hydrogen 2.911 N/A LEU 278.A N MET 274.A O no hydrogen 2.936 N/A LYS 279.A N ARG 275.A O no hydrogen 2.989 N/A ARG 280.A N ASN 276.A O no hydrogen 2.911 N/A ILE 281.A N ALA 277.A O no hydrogen 2.982 N/A GLN 282.A N LEU 278.A O no hydrogen 2.848 N/A ASP 283.A N LYS 279.A O no hydrogen 2.827 N/A GLY 284.A N ILE 281.A O no hydrogen 3.187 N/A GLU 285.A N ARG 280.A O no hydrogen 3.054 N/A TYR 286.A N ARG 280.A O no hydrogen 3.112 N/A LYS 288.A N GLY 284.A O no hydrogen 3.031 N/A MET 289.A N GLU 285.A O no hydrogen 3.078 N/A PHE 290.A N TYR 286.A O no hydrogen 2.990 N/A ILE 291.A N ALA 287.A O no hydrogen 2.852 N/A THR 292.A N LYS 288.A O no hydrogen 2.901 N/A THR 292.A OG1 LYS 288.A O no hydrogen 3.051 N/A THR 292.A OG1 MET 289.A O no hydrogen 2.909 N/A GLU 293.A N MET 289.A O no hydrogen 2.998 N/A GLY 294.A N PHE 290.A O no hydrogen 3.114 N/A ALA 295.A N ILE 291.A O no hydrogen 3.051 N/A ALA 296.A N THR 292.A O no hydrogen 2.920 N/A ASN 297.A N GLY 294.A O no hydrogen 2.944 N/A TYR 298.A N GLU 293.A O no hydrogen 2.821 N/A SER 300.A N GLU 293.A OE2 no hydrogen 3.021 N/A SER 300.A OG GLU 293.A OE1 no hydrogen 2.659 N/A SER 300.A OG GLU 293.A OE2 no hydrogen 3.074 N/A MET 301.A N GLU 293.A OE2 no hydrogen 2.940 N/A THR 302.A N TYR 298.A O no hydrogen 3.060 N/A THR 302.A OG1 TYR 298.A O no hydrogen 2.619 N/A ALA 303.A N PRO 299.A O no hydrogen 3.436 N/A TYR 304.A N SER 300.A O no hydrogen 2.752 N/A ARG 305.A N MET 301.A O no hydrogen 2.850 N/A ARG 306.A N THR 302.A O no hydrogen 3.037 N/A ASN 307.A N ALA 303.A O no hydrogen 2.881 N/A ASN 308.A N TYR 304.A O no hydrogen 3.017 N/A ALA 309.A N ARG 305.A O no hydrogen 2.917 N/A ALA 310.A N ARG 306.A O no hydrogen 3.182 N/A HIS 311.A N ASN 308.A O no hydrogen 2.938 N/A HIS 311.A NE2 GLU 211.A OE1 no hydrogen 2.766 N/A ILE 313.A N HIS 311.A ND1 no hydrogen 2.974 N/A GLU 314.A N HIS 311.A O no hydrogen 2.902 N/A GLN 315.A N HIS 311.A O no hydrogen 3.329 N/A ILE 316.A N PRO 312.A O no hydrogen 3.124 N/A GLY 317.A N ILE 313.A O no hydrogen 2.978 N/A GLU 318.A N GLU 314.A O no hydrogen 3.119 N/A LYS 319.A N GLN 315.A O no hydrogen 3.476 N/A LEU 320.A N ILE 316.A O no hydrogen 2.949 N/A ARG 321.A N GLY 317.A O no hydrogen 2.750 N/A ARG 321.A NH2 TYR 224.A OH no hydrogen 2.818 N/A ALA 322.A N GLU 318.A O no hydrogen 3.039 N/A MET 323.A N LEU 320.A O no hydrogen 2.872 N/A MET 324.A N ARG 321.A O no hydrogen 3.095 N/A ILE 327.A N MET 324.A O no hydrogen 3.248 N/A