Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1mld_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N LEU 25.A O no hydrogen 2.548 N/A LYS 2.A N ASP 70.A OD2 no hydrogen 2.791 N/A LYS 2.A NZ ASP 70.A OD2 no hydrogen 3.266 N/A VAL 3.A N ARG 28.A O no hydrogen 2.847 N/A ALA 4.A N VAL 71.A O no hydrogen 2.997 N/A VAL 5.A N THR 30.A O no hydrogen 2.960 N/A LEU 6.A N VAL 73.A O no hydrogen 2.968 N/A GLY 7.A N TYR 32.A O no hydrogen 2.855 N/A ALA 8.A N TYR 32.A O no hydrogen 2.934 N/A SER 9.A N ASP 33.A OD2 no hydrogen 2.844 N/A SER 9.A OG ALA 35.A O no hydrogen 2.816 N/A GLN 14.A N GLY 10.A O no hydrogen 3.179 N/A GLN 14.A NE2 SER 9.A O no hydrogen 3.052 N/A LEU 16.A N ILE 12.A O no hydrogen 3.020 N/A SER 17.A N GLY 13.A O no hydrogen 2.888 N/A SER 17.A OG GLY 13.A O no hydrogen 2.883 N/A LEU 18.A N GLN 14.A O no hydrogen 2.968 N/A LEU 19.A N PRO 15.A O no hydrogen 3.041 N/A LEU 20.A N LEU 16.A O no hydrogen 2.943 N/A LYS 21.A N SER 17.A O no hydrogen 2.805 N/A LYS 21.A NZ ILE 47.A O no hydrogen 3.310 N/A LYS 21.A NZ THR 49.A O no hydrogen 3.195 N/A LYS 21.A NZ THR 49.A OG1 no hydrogen 3.067 N/A LYS 21.A NZ ALA 51.A O no hydrogen 2.724 N/A ASN 22.A N LEU 18.A O no hydrogen 2.984 N/A SER 23.A N LEU 20.A O no hydrogen 2.970 N/A LEU 25.A N SER 23.A OG no hydrogen 3.037 N/A VAL 26.A N SER 23.A O no hydrogen 3.290 N/A SER 27.A N ALA 1.A O no hydrogen 2.778 N/A SER 27.A OG ALA 1.A O no hydrogen 3.183 N/A ARG 28.A N ALA 1.A O no hydrogen 3.484 N/A ARG 28.A NH1 LYS 67.A O no hydrogen 3.114 N/A ARG 28.A NH2 LYS 67.A O no hydrogen 2.876 N/A LEU 29.A N THR 52.A O no hydrogen 2.769 N/A THR 30.A N VAL 3.A O no hydrogen 2.947 N/A THR 30.A OG1 CYS 65.A O no hydrogen 2.720 N/A LEU 31.A N LYS 54.A O no hydrogen 2.842 N/A TYR 32.A N VAL 5.A O no hydrogen 2.901 N/A ASP 33.A N TYR 56.A O no hydrogen 3.216 N/A ILE 34.A N ASP 33.A OD1 no hydrogen 2.847 N/A THR 37.A OG1 ASP 33.A O no hydrogen 3.458 N/A THR 37.A OG1 TYR 56.A O no hydrogen 3.113 N/A VAL 40.A N HIS 36.A O no hydrogen 3.299 N/A ALA 41.A N THR 37.A O no hydrogen 2.966 N/A ALA 42.A N PRO 38.A O no hydrogen 3.016 N/A ASP 43.A N GLY 39.A O no hydrogen 3.196 N/A LEU 44.A N VAL 40.A O no hydrogen 3.033 N/A SER 45.A N ALA 41.A O no hydrogen 2.877 N/A SER 45.A OG ALA 41.A O no hydrogen 3.090 N/A SER 45.A OG ALA 42.A O no hydrogen 2.810 N/A HIS 46.A N ASP 43.A O no hydrogen 3.202 N/A ILE 47.A N LEU 44.A O no hydrogen 3.261 N/A THR 49.A OG1 LYS 21.A O no hydrogen 2.909 N/A THR 52.A N SER 27.A O no hydrogen 2.933 N/A LYS 54.A N LEU 29.A O no hydrogen 3.062 N/A TYR 56.A N LEU 31.A O no hydrogen 2.733 N/A GLY 58.A N ASP 33.A O no hydrogen 3.203 N/A GLN 61.A N GLY 58.A O no hydrogen 2.859 N/A LEU 62.A N PRO 59.A O no hydrogen 3.089 N/A CYS 65.A N GLN 61.A O no hydrogen 3.298 N/A LEU 66.A N LEU 62.A O no hydrogen 3.254 N/A LYS 67.A N PRO 63.A O no hydrogen 3.097 N/A CYS 69.A N LEU 66.A O no hydrogen 3.213 N/A CYS 69.A SG CYS 65.A O no hydrogen 3.612 N/A CYS 69.A SG LEU 66.A O no hydrogen 3.439 N/A ASP 70.A N LYS 2.A O no hydrogen 2.858 N/A VAL 71.A N LYS 2.A O no hydrogen 3.255 N/A VAL 72.A N MET 112.A O no hydrogen 2.897 N/A VAL 73.A N ALA 4.A O no hydrogen 2.796 N/A ILE 74.A N CYS 114.A O no hydrogen 2.911 N/A ALA 76.A N LEU 6.A O no hydrogen 3.285 N/A VAL 78.A N ASN 93.A OD1 no hydrogen 2.877 N/A ARG 80.A NH1 MET 84.A O no hydrogen 3.001 N/A ARG 80.A NH1 THR 211.A OG1 no hydrogen 3.271 N/A ARG 80.A NH2 THR 211.A OG1 no hydrogen 2.714 N/A LYS 81.A NZ GLY 219.A O no hydrogen 2.719 N/A MET 84.A N LYS 81.A O no hydrogen 3.138 N/A THR 85.A N ASP 88.A OD2 no hydrogen 3.074 N/A ASP 88.A N THR 85.A O no hydrogen 3.169 N/A LEU 89.A N ARG 86.A O no hydrogen 3.231 N/A PHE 90.A N ASP 87.A O no hydrogen 2.915 N/A ASN 93.A N LEU 89.A O no hydrogen 2.944 N/A ASN 93.A ND2 VAL 78.A O no hydrogen 3.570 N/A ASN 93.A ND2 ASN 118.A O no hydrogen 2.860 N/A ALA 94.A N PHE 90.A O no hydrogen 2.766 N/A THR 95.A OG1 ASN 91.A O no hydrogen 3.433 N/A THR 95.A OG1 THR 92.A O no hydrogen 2.901 N/A ILE 96.A N THR 92.A O no hydrogen 3.466 N/A VAL 97.A N ASN 93.A O no hydrogen 2.978 N/A ALA 98.A N ALA 94.A O no hydrogen 2.965 N/A THR 99.A N THR 95.A O no hydrogen 3.172 N/A THR 99.A OG1 THR 95.A O no hydrogen 3.199 N/A LEU 100.A N ILE 96.A O no hydrogen 3.126 N/A THR 101.A N VAL 97.A O no hydrogen 2.907 N/A THR 101.A OG1 VAL 97.A O no hydrogen 2.862 N/A THR 101.A OG1 ALA 98.A O no hydrogen 3.510 N/A ALA 102.A N ALA 98.A O no hydrogen 3.044 N/A ALA 103.A N THR 99.A O no hydrogen 3.253 N/A CYS 104.A N LEU 100.A O no hydrogen 2.976 N/A CYS 104.A SG LEU 100.A O no hydrogen 3.523 N/A ALA 105.A N THR 101.A O no hydrogen 2.819 N/A GLN 106.A N ALA 102.A O no hydrogen 3.329 N/A HIS 107.A N ALA 103.A O no hydrogen 2.871 N/A CYS 108.A N CYS 104.A O no hydrogen 2.942 N/A CYS 108.A SG CYS 104.A O no hydrogen 3.913 N/A ALA 111.A N CYS 108.A O no hydrogen 3.173 N/A MET 112.A N ASP 70.A O no hydrogen 2.839 N/A ILE 113.A N LYS 141.A O no hydrogen 2.834 N/A CYS 114.A N VAL 72.A O no hydrogen 2.898 N/A ILE 115.A N PHE 143.A O no hydrogen 2.819 N/A ILE 116.A N ILE 74.A O no hydrogen 2.949 N/A SER 117.A N ILE 74.A O no hydrogen 3.266 N/A SER 117.A OG ILE 74.A O no hydrogen 3.272 N/A SER 117.A OG ALA 76.A O no hydrogen 2.661 N/A ASN 121.A ND2 THR 180.A OG1 no hydrogen 3.411 N/A SER 122.A N PRO 119.A O no hydrogen 2.870 N/A SER 122.A OG SER 302.A O no hydrogen 2.893 N/A THR 123.A N PRO 119.A O no hydrogen 2.851 N/A ILE 124.A N VAL 120.A O no hydrogen 3.059 N/A ILE 126.A N SER 122.A O no hydrogen 3.123 N/A THR 127.A N THR 123.A O no hydrogen 3.131 N/A THR 127.A OG1 THR 123.A O no hydrogen 2.955 N/A ALA 128.A N ILE 124.A O no hydrogen 2.975 N/A GLU 129.A N PRO 125.A O no hydrogen 3.020 N/A VAL 130.A N ILE 126.A O no hydrogen 2.809 N/A PHE 131.A N THR 127.A O no hydrogen 2.901 N/A LYS 132.A N ALA 128.A O no hydrogen 2.894 N/A LYS 132.A NZ GLU 129.A OE2 no hydrogen 2.662 N/A LYS 133.A N GLU 129.A O no hydrogen 3.036 N/A LYS 133.A NZ GLU 129.A O no hydrogen 2.673 N/A LYS 133.A NZ GLU 129.A OE1 no hydrogen 2.656 N/A HIS 134.A N VAL 130.A O no hydrogen 3.294 N/A HIS 134.A N PHE 131.A O no hydrogen 3.223 N/A HIS 134.A ND1 VAL 130.A O no hydrogen 2.979 N/A GLY 135.A N LYS 132.A O no hydrogen 3.063 N/A VAL 136.A N PHE 131.A O no hydrogen 2.928 N/A LYS 141.A N ASN 138.A O no hydrogen 3.074 N/A LYS 141.A NZ ASP 110.A O no hydrogen 2.988 N/A PHE 143.A N ILE 113.A O no hydrogen 2.815 N/A GLY 144.A N PHE 253.A O no hydrogen 2.881 N/A VAL 145.A N ILE 115.A O no hydrogen 2.933 N/A ASP 149.A N THR 146.A O no hydrogen 2.999 N/A VAL 151.A N THR 147.A O no hydrogen 2.942 N/A ARG 152.A N LEU 148.A O no hydrogen 2.859 N/A ALA 153.A N ASP 149.A O no hydrogen 2.795 N/A ASN 154.A N ILE 150.A O no hydrogen 2.967 N/A ALA 155.A N VAL 151.A O no hydrogen 3.002 N/A PHE 156.A N ARG 152.A O no hydrogen 2.837 N/A VAL 157.A N ALA 153.A O no hydrogen 3.005 N/A ALA 158.A N ASN 154.A O no hydrogen 2.933 N/A GLU 159.A N ALA 155.A O no hydrogen 3.267 N/A LEU 160.A N PHE 156.A O no hydrogen 3.037 N/A LYS 161.A N VAL 157.A O no hydrogen 3.053 N/A LYS 161.A NZ ASP 193.A O no hydrogen 2.523 N/A GLY 162.A N GLU 159.A O no hydrogen 3.154 N/A LEU 163.A N ALA 158.A O no hydrogen 2.837 N/A ARG 167.A N ASP 164.A O no hydrogen 2.831 N/A VAL 168.A N PRO 165.A O no hydrogen 3.102 N/A SER 169.A N THR 189.A O no hydrogen 2.994 N/A ILE 173.A N ILE 182.A O no hydrogen 2.845 N/A GLY 174.A N SER 265.A O no hydrogen 2.989 N/A GLY 175.A N THR 180.A O no hydrogen 2.923 N/A HIS 176.A N ASN 121.A OD1 no hydrogen 2.920 N/A HIS 176.A ND1 ASP 149.A OD2 no hydrogen 2.737 N/A ALA 177.A N THR 180.A OG1 no hydrogen 2.995 N/A LYS 179.A NZ GLU 294.A OE1 no hydrogen 2.753 N/A LYS 179.A NZ GLU 294.A OE2 no hydrogen 2.508 N/A LYS 179.A NZ GLU 298.A OE2 no hydrogen 2.514 N/A THR 180.A N ALA 177.A O no hydrogen 2.944 N/A THR 180.A OG1 ALA 177.A O no hydrogen 2.627 N/A ILE 181.A N GLY 178.A O no hydrogen 3.006 N/A ILE 182.A N ILE 173.A O no hydrogen 2.903 N/A LEU 184.A N PRO 171.A O no hydrogen 2.758 N/A SER 186.A N GLU 288.A OE2 no hydrogen 2.962 N/A SER 186.A OG GLU 288.A OE1 no hydrogen 2.952 N/A SER 186.A OG GLU 288.A OE2 no hydrogen 2.895 N/A GLN 187.A N LEU 184.A O no hydrogen 2.940 N/A CYS 188.A N ILE 185.A O no hydrogen 2.995 N/A CYS 188.A SG PRO 190.A O no hydrogen 3.004 N/A THR 189.A N SER 169.A O no hydrogen 3.213 N/A GLN 198.A N ASP 197.A OD1 no hydrogen 2.878 N/A LEU 199.A N PRO 195.A O no hydrogen 2.967 N/A SER 200.A N GLN 196.A O no hydrogen 2.803 N/A SER 200.A OG ASP 197.A O no hydrogen 3.213 N/A THR 201.A N ASP 197.A O no hydrogen 3.143 N/A THR 201.A OG1 ASP 197.A O no hydrogen 2.959 N/A THR 201.A OG1 GLN 198.A O no hydrogen 2.910 N/A LEU 202.A N GLN 198.A O no hydrogen 2.948 N/A THR 203.A N LEU 199.A O no hydrogen 3.045 N/A THR 203.A OG1 LEU 199.A O no hydrogen 3.060 N/A GLY 204.A N SER 200.A O no hydrogen 2.846 N/A ARG 205.A N THR 201.A O no hydrogen 2.968 N/A ARG 205.A NH1 GLU 159.A OE2 no hydrogen 2.748 N/A ARG 205.A NH2 GLU 159.A OE2 no hydrogen 2.688 N/A ILE 206.A N LEU 202.A O no hydrogen 3.109 N/A GLN 207.A N THR 203.A O no hydrogen 2.897 N/A GLU 208.A N GLY 204.A O no hydrogen 3.028 N/A GLU 212.A N GLU 208.A O no hydrogen 3.163 N/A VAL 213.A N ALA 209.A O no hydrogen 3.140 N/A VAL 214.A N GLY 210.A O no hydrogen 3.144 N/A LYS 215.A N THR 211.A O no hydrogen 2.827 N/A LYS 215.A NZ GLU 212.A OE1 no hydrogen 2.688 N/A LYS 215.A NZ GLU 212.A OE2 no hydrogen 2.612 N/A ALA 216.A N GLU 212.A O no hydrogen 2.844 N/A LYS 217.A N VAL 213.A O no hydrogen 2.764 N/A LYS 217.A NZ SER 222.A O no hydrogen 2.650 N/A ALA 218.A N VAL 214.A O no hydrogen 3.258 N/A ALA 218.A N LYS 215.A O no hydrogen 2.793 N/A ALA 220.A N LYS 217.A O no hydrogen 2.932 N/A ALA 228.A N THR 224.A O no hydrogen 2.917 N/A TYR 229.A N LEU 225.A O no hydrogen 3.058 N/A ALA 230.A N SER 226.A O no hydrogen 2.945 N/A GLY 231.A N MET 227.A O no hydrogen 2.688 N/A ALA 232.A N ALA 228.A O no hydrogen 2.821 N/A ARG 233.A N TYR 229.A O no hydrogen 2.882 N/A ARG 233.A NE GLU 250.A OE2 no hydrogen 3.039 N/A ARG 233.A NH2 GLU 250.A OE1 no hydrogen 2.922 N/A ARG 233.A NH2 GLU 250.A OE2 no hydrogen 3.353 N/A PHE 234.A N ALA 230.A O no hydrogen 2.943 N/A VAL 235.A N GLY 231.A O no hydrogen 3.078 N/A PHE 236.A N ALA 232.A O no hydrogen 2.996 N/A SER 237.A N ARG 233.A O no hydrogen 3.012 N/A SER 237.A OG ARG 233.A O no hydrogen 3.432 N/A SER 237.A OG GLU 250.A OE2 no hydrogen 2.843 N/A LEU 238.A N PHE 234.A O no hydrogen 2.985 N/A VAL 239.A N VAL 235.A O no hydrogen 2.879 N/A ASP 240.A N PHE 236.A O no hydrogen 2.934 N/A ALA 241.A N SER 237.A O no hydrogen 2.949 N/A MET 242.A N LEU 238.A O no hydrogen 2.908 N/A ASN 243.A N VAL 239.A O no hydrogen 2.743 N/A GLY 244.A N ASP 240.A O no hydrogen 2.825 N/A GLY 244.A N ALA 241.A O no hydrogen 3.028 N/A LYS 245.A N ASP 240.A O no hydrogen 2.802 N/A LYS 245.A NZ GLU 246.A O no hydrogen 2.576 N/A GLU 250.A N LEU 268.A O no hydrogen 2.913 N/A CYS 251.A SG VAL 172.A O no hydrogen 3.569 N/A SER 252.A N THR 266.A O no hydrogen 3.391 N/A SER 252.A OG GLY 144.A O no hydrogen 2.915 N/A PHE 253.A N GLY 144.A O no hydrogen 2.970 N/A VAL 254.A N PHE 264.A O no hydrogen 3.244 N/A LYS 255.A NZ PRO 262.A O no hydrogen 2.629 N/A SER 256.A N PRO 262.A O no hydrogen 2.881 N/A GLU 258.A N SER 256.A OG no hydrogen 3.129 N/A CYS 261.A SG TYR 263.A O no hydrogen 3.745 N/A PHE 264.A N VAL 254.A O no hydrogen 3.107 N/A SER 265.A N GLY 174.A O no hydrogen 2.844 N/A LEU 268.A N GLU 250.A O no hydrogen 2.728 N/A LEU 269.A N LYS 277.A O no hydrogen 2.804 N/A LEU 270.A N VAL 248.A O no hydrogen 2.838 N/A GLY 271.A N GLY 274.A O no hydrogen 2.796 N/A LYS 272.A NZ MET 242.A O no hydrogen 2.663 N/A LYS 273.A NZ ASN 140.A OD1 no hydrogen 3.036 N/A LYS 273.A NZ LYS 273.A O no hydrogen 2.677 N/A GLY 274.A N GLY 271.A O no hydrogen 3.183 N/A ILE 275.A N ASN 140.A O no hydrogen 3.025 N/A GLU 276.A N LEU 269.A O no hydrogen 2.769 N/A LYS 277.A N LEU 269.A O no hydrogen 3.078 N/A LYS 277.A NZ GLU 276.A OE1 no hydrogen 2.648 N/A ASN 278.A ND2 GLN 257.A OE1 no hydrogen 3.483 N/A LEU 279.A N PRO 267.A O no hydrogen 2.874 N/A GLY 280.A N ASN 278.A OD1 no hydrogen 3.236 N/A LYS 283.A NZ ILE 284.A O no hydrogen 3.256 N/A SER 285.A N GLU 288.A OE1 no hydrogen 3.052 N/A GLU 289.A N SER 285.A O no hydrogen 2.978 N/A LYS 290.A N PRO 286.A O no hydrogen 2.831 N/A LYS 290.A NZ GLU 289.A OE1 no hydrogen 2.625 N/A MET 291.A N PHE 287.A O no hydrogen 3.090 N/A ILE 292.A N GLU 288.A O no hydrogen 3.075 N/A ALA 293.A N GLU 289.A O no hydrogen 3.355 N/A GLU 294.A N LYS 290.A O no hydrogen 2.943 N/A ALA 295.A N MET 291.A O no hydrogen 2.898 N/A ALA 295.A N ILE 292.A O no hydrogen 3.040 N/A ILE 296.A N ILE 292.A O no hydrogen 2.949 N/A LEU 299.A N ALA 295.A O no hydrogen 3.074 N/A LYS 300.A N ILE 296.A O no hydrogen 2.938 N/A LYS 300.A NZ ASP 260.A OD2 no hydrogen 2.559 N/A ALA 301.A N PRO 297.A O no hydrogen 3.011 N/A SER 302.A N GLU 298.A O no hydrogen 3.080 N/A SER 302.A OG GLU 298.A O no hydrogen 3.468 N/A ILE 303.A N LEU 299.A O no hydrogen 3.175 N/A LYS 304.A N LYS 300.A O no hydrogen 3.105 N/A LYS 304.A NZ GLU 307.A OE1 no hydrogen 2.461 N/A LYS 304.A NZ GLU 307.A OE2 no hydrogen 3.028 N/A LYS 305.A N ALA 301.A O no hydrogen 2.974 N/A LYS 305.A NZ ASP 87.A OD1 no hydrogen 2.581 N/A GLY 306.A N SER 302.A O no hydrogen 2.990 N/A GLU 307.A N ILE 303.A O no hydrogen 2.875 N/A GLU 308.A N LYS 304.A O no hydrogen 2.875 N/A PHE 309.A N LYS 305.A O no hydrogen 3.248 N/A LYS 311.A N GLU 307.A O no hydrogen 3.086 N/A ASN 312.A ND2 GLU 308.A O no hydrogen 3.645 N/A ASN 312.A ND2 LYS 311.A O no hydrogen 2.673 N/A MET 313.A N PHE 309.A O no hydrogen 3.111 N/A