Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3c4u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N VAL 77.A O no hydrogen 2.751 N/A LYS 4.A N GLU 7.A OE2 no hydrogen 3.137 N/A GLY 5.A N THR 99.A O no hydrogen 3.209 N/A ASN 6.A N SER 130.A OG no hydrogen 2.936 N/A GLU 7.A N LYS 4.A O no hydrogen 2.939 N/A ILE 8.A N GLY 5.A O no hydrogen 3.252 N/A LEU 9.A N GLY 5.A O no hydrogen 3.135 N/A LEU 10.A N ASN 6.A O no hydrogen 2.840 N/A LYS 11.A NZ GLU 15.A OE1 no hydrogen 3.536 N/A LYS 11.A NZ GLU 15.A OE2 no hydrogen 2.730 N/A ALA 12.A N ILE 8.A O no hydrogen 3.341 N/A HIS 13.A N LEU 9.A O no hydrogen 2.773 N/A LYS 14.A N LEU 10.A O no hydrogen 2.955 N/A GLU 15.A N LYS 11.A O no hydrogen 3.007 N/A TYR 17.A N ALA 12.A O no hydrogen 3.073 N/A GLY 18.A N LEU 286.A O no hydrogen 2.976 N/A VAL 19.A N ASN 235.A O no hydrogen 2.688 N/A ALA 21.A N VAL 237.A O no hydrogen 2.885 N/A PHE 22.A N PHE 45.A O no hydrogen 3.004 N/A ASN 23.A N THR 239.A O no hydrogen 3.102 N/A ASN 23.A ND2 ASP 82.A OD2 no hydrogen 2.765 N/A PHE 24.A N GLN 47.A O no hydrogen 3.087 N/A GLU 28.A N GLU 28.A OE1 no hydrogen 2.761 N/A MET 29.A N ASN 26.A OD1 no hydrogen 3.160 N/A LEU 30.A N ASN 26.A O no hydrogen 3.271 N/A ASN 31.A N PHE 27.A O no hydrogen 2.801 N/A ASN 31.A ND2 GLN 272.A OE1 no hydrogen 2.935 N/A ALA 32.A N GLU 28.A O no hydrogen 3.154 N/A ILE 33.A N MET 29.A O no hydrogen 3.035 N/A PHE 34.A N LEU 30.A O no hydrogen 3.032 N/A GLU 35.A N ASN 31.A O no hydrogen 2.976 N/A ALA 36.A N ALA 32.A O no hydrogen 3.032 N/A GLY 37.A N ILE 33.A O no hydrogen 3.025 N/A ASN 38.A N PHE 34.A O no hydrogen 2.881 N/A GLU 39.A N GLU 35.A O no hydrogen 2.936 N/A GLU 40.A N ALA 36.A O no hydrogen 2.981 N/A SER 42.A N GLY 37.A O no hydrogen 3.002 N/A SER 42.A OG PRO 43.A O no hydrogen 2.988 N/A SER 42.A OG SER 288.A O no hydrogen 3.405 N/A SER 42.A OG SER 288.A OG no hydrogen 2.751 N/A LEU 44.A N PRO 76.A O no hydrogen 2.764 N/A ILE 46.A N ALA 78.A O no hydrogen 2.790 N/A GLN 47.A N PHE 22.A O no hydrogen 2.835 N/A GLN 47.A NE2 ASN 23.A OD1 no hydrogen 2.844 N/A ALA 48.A N HIS 80.A O no hydrogen 2.908 N/A ALA 52.A N SER 49.A OG no hydrogen 2.998 N/A ILE 53.A N SER 49.A O no hydrogen 2.894 N/A LYS 54.A N GLU 50.A O no hydrogen 2.981 N/A TYR 55.A N GLY 51.A O no hydrogen 2.905 N/A MET 56.A N ALA 52.A O no hydrogen 2.801 N/A GLY 57.A N ILE 53.A O no hydrogen 2.712 N/A MET 60.A N GLY 57.A O no hydrogen 2.842 N/A ALA 61.A N GLY 57.A O no hydrogen 2.999 N/A VAL 62.A N ILE 58.A O no hydrogen 3.146 N/A GLY 63.A N ASP 59.A O no hydrogen 2.955 N/A MET 64.A N MET 60.A O no hydrogen 2.842 N/A VAL 65.A N ALA 61.A O no hydrogen 3.345 N/A LYS 66.A N VAL 62.A O no hydrogen 2.972 N/A ILE 67.A N GLY 63.A O no hydrogen 3.146 N/A MET 68.A N MET 64.A O no hydrogen 2.981 N/A CYS 69.A N VAL 65.A O no hydrogen 2.866 N/A CYS 69.A SG VAL 65.A O no hydrogen 3.434 N/A GLU 70.A N LYS 66.A O no hydrogen 3.269 N/A ARG 71.A N ILE 67.A O no hydrogen 3.380 N/A ARG 71.A N MET 68.A O no hydrogen 3.063 N/A TYR 72.A N MET 68.A O no hydrogen 3.208 N/A ILE 75.A N TYR 72.A O no hydrogen 3.203 N/A VAL 77.A N MET 1.A O no hydrogen 2.876 N/A ALA 78.A N LEU 44.A O no hydrogen 2.825 N/A LEU 79.A N THR 99.A OG1 no hydrogen 2.969 N/A HIS 80.A N ILE 46.A O no hydrogen 2.763 N/A HIS 80.A ND1 SER 100.A OG no hydrogen 2.636 N/A LEU 81.A N SER 100.A O no hydrogen 2.827 N/A ASP 82.A N ALA 48.A O no hydrogen 2.899 N/A HIS 83.A ND1 ASP 82.A OD1 no hydrogen 2.606 N/A GLY 84.A N MET 102.A O no hydrogen 2.801 N/A THR 85.A N GLU 50.A OE1 no hydrogen 2.786 N/A THR 85.A OG1 GLU 50.A OE1 no hydrogen 3.088 N/A THR 85.A OG1 GLU 50.A OE2 no hydrogen 2.808 N/A GLU 88.A N GLU 88.A OE1 no hydrogen 2.749 N/A SER 89.A N THR 86.A OG1 no hydrogen 3.043 N/A SER 89.A OG GLU 50.A OE1 no hydrogen 2.741 N/A CYS 90.A N THR 86.A O no hydrogen 3.206 N/A CYS 90.A SG THR 86.A O no hydrogen 3.477 N/A CYS 90.A SG MET 102.A O no hydrogen 3.797 N/A GLU 91.A N PHE 87.A O no hydrogen 2.833 N/A LYS 92.A N GLU 88.A O no hydrogen 2.891 N/A ALA 93.A N SER 89.A O no hydrogen 3.068 N/A VAL 94.A N CYS 90.A O no hydrogen 2.952 N/A LYS 95.A N GLU 91.A O no hydrogen 2.949 N/A ALA 96.A N LYS 92.A O no hydrogen 2.937 N/A GLY 97.A N ALA 93.A O no hydrogen 3.142 N/A GLY 97.A N VAL 94.A O no hydrogen 3.229 N/A PHE 98.A N ALA 93.A O no hydrogen 2.977 N/A THR 99.A N LEU 79.A O no hydrogen 2.957 N/A THR 99.A OG1 VAL 3.A O no hydrogen 2.827 N/A THR 99.A OG1 LEU 79.A O no hydrogen 3.499 N/A SER 100.A N LEU 79.A O no hydrogen 3.000 N/A SER 100.A OG HIS 80.A ND1 no hydrogen 2.636 N/A SER 100.A OG TYR 156.A OH no hydrogen 2.589 N/A VAL 101.A N SER 130.A O no hydrogen 2.973 N/A MET 102.A N LEU 81.A O no hydrogen 3.043 N/A ILE 103.A N GLU 132.A O no hydrogen 2.948 N/A ASP 104.A N GLY 84.A O no hydrogen 2.787 N/A SER 106.A N ASP 104.A OD1 no hydrogen 3.135 N/A SER 106.A OG ASP 104.A OD1 no hydrogen 2.747 N/A HIS 108.A N ALA 105.A O no hydrogen 3.045 N/A ASN 113.A N ALA 109.A O no hydrogen 2.899 N/A ASN 113.A ND2 GLU 134.A O no hydrogen 2.941 N/A LEU 114.A N PHE 110.A O no hydrogen 2.816 N/A GLU 115.A N GLU 111.A O no hydrogen 2.896 N/A LEU 116.A N GLU 112.A O no hydrogen 3.081 N/A THR 117.A N ASN 113.A O no hydrogen 2.989 N/A THR 117.A OG1 ASN 113.A O no hydrogen 2.761 N/A THR 117.A OG1 ASN 113.A OD1 no hydrogen 3.108 N/A SER 118.A N LEU 114.A O no hydrogen 2.824 N/A SER 118.A OG LEU 114.A O no hydrogen 2.750 N/A LYS 119.A N GLU 115.A O no hydrogen 3.076 N/A VAL 120.A N LEU 116.A O no hydrogen 2.997 N/A VAL 121.A N THR 117.A O no hydrogen 2.886 N/A LYS 122.A N SER 118.A O no hydrogen 2.988 N/A MET 123.A N LYS 119.A O no hydrogen 3.200 N/A ALA 124.A N VAL 120.A O no hydrogen 2.850 N/A HIS 125.A N VAL 121.A O no hydrogen 2.790 N/A HIS 125.A NE2 ASP 155.A OD2 no hydrogen 2.912 N/A ASN 126.A N LYS 122.A O no hydrogen 3.261 N/A ALA 127.A N ALA 124.A O no hydrogen 2.815 N/A GLY 128.A N HIS 125.A O no hydrogen 3.056 N/A VAL 129.A N ALA 124.A O no hydrogen 2.820 N/A SER 130.A N THR 99.A O no hydrogen 3.363 N/A VAL 131.A N ASP 155.A OD2 no hydrogen 2.724 N/A GLU 132.A N VAL 101.A O no hydrogen 2.859 N/A ALA 133.A N TYR 156.A O no hydrogen 3.143 N/A LEU 135.A N ALA 158.A O no hydrogen 3.113 N/A ARG 137.A N VAL 138.A O no hydrogen 2.946 N/A VAL 140.A N ALA 160.A O no hydrogen 2.983 N/A LYS 143.A NZ GLU 146.A OE1 no hydrogen 2.853 N/A GLU 144.A N ASN 141.A OD1 no hydrogen 2.963 N/A ALA 145.A N ASN 141.A O no hydrogen 2.859 N/A GLU 146.A N PRO 142.A O no hydrogen 2.824 N/A GLN 147.A N LYS 143.A O no hydrogen 3.110 N/A GLN 147.A NE2 GLU 151.A OE2 no hydrogen 3.070 N/A PHE 148.A N GLU 144.A O no hydrogen 2.887 N/A VAL 149.A N ALA 145.A O no hydrogen 2.970 N/A LYS 150.A N GLU 146.A O no hydrogen 3.071 N/A GLU 151.A N GLN 147.A O no hydrogen 2.966 N/A SER 152.A N PHE 148.A O no hydrogen 2.956 N/A SER 152.A OG PHE 148.A O no hydrogen 2.671 N/A GLN 153.A N VAL 149.A O no hydrogen 2.972 N/A VAL 154.A N SER 152.A OG no hydrogen 3.161 N/A ASP 155.A N VAL 131.A O no hydrogen 3.093 N/A TYR 156.A N VAL 131.A O no hydrogen 3.170 N/A TYR 156.A OH SER 100.A OG no hydrogen 2.589 N/A LEU 157.A N PRO 191.A O no hydrogen 3.277 N/A ALA 158.A N ALA 133.A O no hydrogen 2.751 N/A ALA 160.A N LEU 135.A O no hydrogen 3.072 N/A THR 163.A OG1 HIS 195.A O no hydrogen 2.749 N/A SER 164.A OG PHE 170.A O no hydrogen 3.365 N/A PHE 168.A N HIS 165.A O no hydrogen 2.800 N/A LYS 169.A NZ GLY 166.A O no hydrogen 3.313 N/A PHE 170.A N SER 164.A OG no hydrogen 2.982 N/A ASP 177.A N ILE 161.A O no hydrogen 2.937 N/A ARG 180.A N ASP 177.A OD1 no hydrogen 3.306 N/A ARG 180.A NE ASP 177.A OD2 no hydrogen 2.795 N/A ARG 180.A NH1 VAL 140.A O no hydrogen 2.811 N/A LEU 181.A N ASP 177.A O no hydrogen 2.947 N/A GLN 182.A N PHE 178.A O no hydrogen 2.873 N/A GLU 183.A N GLU 179.A O no hydrogen 2.988 N/A VAL 184.A N ARG 180.A O no hydrogen 2.966 N/A LYS 185.A N LEU 181.A O no hydrogen 2.881 N/A LYS 185.A NZ HIS 13.A ND1 no hydrogen 2.783 N/A LYS 185.A NZ ILE 190.A O no hydrogen 3.014 N/A LYS 185.A NZ GLY 233.A O no hydrogen 2.981 N/A LYS 185.A NZ ASN 235.A OD1 no hydrogen 2.718 N/A ARG 186.A N GLN 182.A O no hydrogen 2.769 N/A LEU 187.A N GLU 183.A O no hydrogen 2.865 N/A THR 188.A N VAL 184.A O no hydrogen 2.896 N/A THR 188.A OG1 VAL 184.A O no hydrogen 2.747 N/A ASN 189.A N LYS 185.A O no hydrogen 2.913 N/A LEU 192.A N ASN 235.A OD1 no hydrogen 3.371 N/A VAL 193.A N LEU 157.A O no hydrogen 2.727 N/A LEU 194.A N LYS 236.A O no hydrogen 2.758 N/A HIS 195.A NE2 GLU 132.A OE2 no hydrogen 2.716 N/A SER 198.A OG ASP 242.A OD1 no hydrogen 2.687 N/A ALA 199.A N ASP 242.A OD2 no hydrogen 2.910 N/A ARG 205.A N PRO 201.A O no hydrogen 3.007 N/A ARG 205.A NH2 LYS 219.A O no hydrogen 3.235 N/A LYS 206.A N ASP 202.A O no hydrogen 2.940 N/A LYS 206.A NZ ASP 210.A OD2 no hydrogen 2.840 N/A SER 207.A N ASN 203.A O no hydrogen 2.898 N/A SER 207.A OG GLU 250.A OE1 no hydrogen 3.254 N/A TYR 208.A N VAL 204.A O no hydrogen 3.016 N/A LEU 209.A N ARG 205.A O no hydrogen 2.914 N/A ASP 210.A N LYS 206.A O no hydrogen 2.737 N/A ALA 211.A N SER 207.A O no hydrogen 3.197 N/A GLY 212.A N LEU 209.A O no hydrogen 2.944 N/A GLY 213.A N TYR 208.A O no hydrogen 2.922 N/A LYS 216.A N ASP 214.A OD1 no hydrogen 3.018 N/A SER 218.A N LEU 215.A O no hydrogen 3.033 N/A VAL 221.A N SER 198.A O no hydrogen 2.781 N/A PHE 225.A N PRO 222.A O no hydrogen 3.008 N/A GLN 227.A N PHE 223.A O no hydrogen 2.950 N/A GLU 228.A N GLU 224.A O no hydrogen 2.850 N/A SER 229.A N PHE 225.A O no hydrogen 3.044 N/A SER 229.A OG PHE 225.A O no hydrogen 2.777 N/A VAL 230.A N LEU 226.A O no hydrogen 3.038 N/A LYS 231.A N GLN 227.A O no hydrogen 3.061 N/A GLY 232.A N GLU 228.A O no hydrogen 2.894 N/A GLY 232.A N SER 229.A O no hydrogen 2.984 N/A GLY 233.A N SER 229.A O no hydrogen 3.065 N/A GLY 233.A N VAL 230.A O no hydrogen 3.151 N/A ILE 234.A N SER 229.A O no hydrogen 2.992 N/A ASN 235.A N LEU 192.A O no hydrogen 2.837 N/A ASN 235.A ND2 TYR 17.A O no hydrogen 3.209 N/A LYS 236.A N LEU 192.A O no hydrogen 3.098 N/A LYS 236.A NZ GLN 47.A OE1 no hydrogen 2.693 N/A LYS 236.A NZ GLU 132.A OE1 no hydrogen 2.943 N/A LYS 236.A NZ ASN 238.A OD1 no hydrogen 2.749 N/A VAL 237.A N VAL 19.A O no hydrogen 3.143 N/A ASN 238.A N LEU 194.A O no hydrogen 3.194 N/A THR 239.A N ALA 21.A O no hydrogen 2.734 N/A THR 239.A OG1 VAL 237.A O no hydrogen 3.016 N/A ARG 244.A N ASP 240.A O no hydrogen 3.061 N/A ILE 245.A N THR 241.A O no hydrogen 3.030 N/A ALA 246.A N ASP 242.A O no hydrogen 3.386 N/A PHE 247.A N LEU 243.A O no hydrogen 3.008 N/A ILE 248.A N ARG 244.A O no hydrogen 2.863 N/A ALA 249.A N ILE 245.A O no hydrogen 2.977 N/A GLU 250.A N PHE 247.A O no hydrogen 3.240 N/A VAL 251.A N PHE 247.A O no hydrogen 3.368 N/A ARG 252.A N ILE 248.A O no hydrogen 2.825 N/A LYS 253.A N ALA 249.A O no hydrogen 3.041 N/A VAL 254.A N GLU 250.A O no hydrogen 3.040 N/A ALA 255.A N VAL 251.A O no hydrogen 3.138 N/A ASN 256.A N ARG 252.A O no hydrogen 2.918 N/A ASN 256.A ND2 ALA 211.A O no hydrogen 2.729 N/A GLU 257.A N LYS 253.A O no hydrogen 2.966 N/A ASP 258.A N VAL 254.A O no hydrogen 3.287 N/A SER 260.A N ASP 258.A OD1 no hydrogen 3.023 N/A SER 260.A OG ASP 258.A OD1 no hydrogen 2.717 N/A GLN 261.A N ASP 258.A O no hydrogen 3.255 N/A ASP 263.A N GLN 261.A OE1 no hydrogen 3.071 N/A ARG 265.A N ASP 263.A OD1 no hydrogen 2.917 N/A ARG 265.A NE ASP 263.A OD1 no hydrogen 3.478 N/A ARG 265.A NH2 ASP 263.A OD2 no hydrogen 3.203 N/A LYS 266.A N ASP 263.A O no hydrogen 2.873 N/A PHE 267.A N LEU 264.A O no hydrogen 3.070 N/A PHE 268.A N LEU 264.A O no hydrogen 2.932 N/A SER 269.A N ARG 265.A O no hydrogen 2.887 N/A SER 269.A OG ARG 265.A O no hydrogen 2.985 N/A GLN 272.A N PHE 268.A O no hydrogen 2.813 N/A LEU 273.A N SER 269.A O no hydrogen 3.161 N/A ALA 274.A N PRO 270.A O no hydrogen 3.033 N/A LEU 275.A N ALA 271.A O no hydrogen 3.103 N/A LYS 276.A N GLN 272.A O no hydrogen 2.715 N/A LYS 276.A NZ GLU 39.A OE1 no hydrogen 3.227 N/A LYS 276.A NZ GLU 39.A OE2 no hydrogen 3.096 N/A ASN 277.A N LEU 273.A O no hydrogen 2.958 N/A VAL 278.A N ALA 274.A O no hydrogen 3.182 N/A VAL 279.A N LEU 275.A O no hydrogen 3.083 N/A LYS 280.A N LYS 276.A O no hydrogen 2.861 N/A LYS 280.A NZ GLU 39.A OE1 no hydrogen 2.826 N/A GLU 281.A N ASN 277.A O no hydrogen 3.023 N/A ARG 282.A N VAL 278.A O no hydrogen 2.953 N/A ARG 282.A NH1 ASP 242.A OD2 no hydrogen 2.913 N/A ARG 282.A NH2 ALA 199.A O no hydrogen 2.971 N/A ARG 282.A NH2 ASP 242.A OD2 no hydrogen 3.441 N/A MET 283.A N VAL 279.A O no hydrogen 2.876 N/A LYS 284.A N LYS 280.A O no hydrogen 3.126 N/A LYS 284.A NZ GLU 281.A OE1 no hydrogen 3.371 N/A LYS 284.A NZ GLU 281.A OE2 no hydrogen 2.991 N/A LEU 285.A N GLU 281.A O no hydrogen 2.852 N/A LEU 286.A N ARG 282.A O no hydrogen 2.936 N/A GLY 287.A N MET 283.A O no hydrogen 2.918 N/A SER 288.A N MET 283.A O no hydrogen 2.940 N/A SER 288.A OG SER 42.A OG no hydrogen 2.751 N/A SER 288.A OG MET 283.A O no hydrogen 3.527 N/A ASN 290.A N GLU 40.A O no hydrogen 2.859 N/A LYS 291.A N ASN 41.A O no hydrogen 3.012 N/A LYS 291.A NZ GLU 15.A OE1 no hydrogen 3.059 N/A ILE 292.A N ASN 41.A O no hydrogen 3.261 N/A