Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4r2j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N ASP 107.A OD2 no hydrogen 3.203 N/A ASN 4.A N ASP 107.A OD1 no hydrogen 3.207 N/A ASN 4.A ND2 GLY 104.A O no hydrogen 2.971 N/A MET 5.A N LYS 32.A O no hydrogen 2.778 N/A LEU 6.A N LEU 108.A O no hydrogen 2.783 N/A VAL 7.A N LYS 34.A O no hydrogen 2.850 N/A VAL 8.A N LEU 110.A O no hydrogen 2.907 N/A ILE 9.A N PHE 36.A O no hydrogen 2.845 N/A ASP 10.A N GLN 16.A OE1 no hydrogen 2.759 N/A ASN 12.A N ASP 10.A OD1 no hydrogen 2.837 N/A ASN 12.A ND2 ASP 10.A OD1 no hydrogen 3.183 N/A GLN 13.A NE2 ASP 15.A O no hydrogen 2.443 N/A GLN 16.A NE2 ASP 10.A O no hydrogen 2.825 N/A GLN 16.A NE2 ASP 14.A O no hydrogen 3.395 N/A ARG 20.A N GLN 16.A O no hydrogen 3.006 N/A ARG 20.A NH1 ASP 15.A OD1 no hydrogen 3.139 N/A ARG 20.A NH1 ASP 15.A OD2 no hydrogen 3.387 N/A ARG 20.A NH2 ASP 15.A OD1 no hydrogen 3.124 N/A ARG 21.A N PRO 17.A O no hydrogen 2.706 N/A ARG 21.A NH1 ASP 277.A OD2 no hydrogen 2.385 N/A ALA 22.A N ALA 18.A O no hydrogen 2.993 N/A VAL 23.A N LEU 19.A O no hydrogen 2.936 N/A TYR 24.A N ARG 20.A O no hydrogen 2.940 N/A LEU 25.A N ARG 21.A O no hydrogen 3.012 N/A HIS 26.A N ALA 22.A O no hydrogen 2.820 N/A HIS 26.A ND1 GLY 31.A O no hydrogen 2.823 N/A GLN 27.A N VAL 23.A O no hydrogen 3.034 N/A ARG 28.A N LEU 25.A O no hydrogen 2.862 N/A ILE 29.A N LEU 25.A O no hydrogen 2.785 N/A GLY 30.A N HIS 26.A O no hydrogen 2.720 N/A LYS 32.A N GLN 3.A O no hydrogen 2.720 N/A ILE 33.A N PRO 82.A O no hydrogen 3.167 N/A LYS 34.A N MET 5.A O no hydrogen 2.831 N/A LYS 34.A NZ GLU 100.A OE2 no hydrogen 2.453 N/A LYS 34.A NZ HIS 106.A NE2 no hydrogen 2.926 N/A ALA 35.A N GLU 84.A O no hydrogen 2.731 N/A PHE 36.A N VAL 7.A O no hydrogen 2.741 N/A LEU 37.A N LYS 86.A O no hydrogen 2.819 N/A ILE 39.A N VAL 88.A O no hydrogen 2.771 N/A TYR 40.A OH GLU 45.A OE2 no hydrogen 2.782 N/A TYR 44.A N ASP 41.A O no hydrogen 2.468 N/A GLU 45.A N PHE 42.A O no hydrogen 2.754 N/A LEU 48.A N MET 46.A O no hydrogen 3.126 N/A ARG 54.A N SER 50.A O no hydrogen 2.827 N/A THR 55.A N PRO 51.A O no hydrogen 3.051 N/A THR 55.A OG1 PRO 51.A O no hydrogen 3.263 N/A ALA 56.A N ASP 52.A O no hydrogen 2.852 N/A MET 57.A N GLU 53.A O no hydrogen 2.963 N/A ARG 58.A N ARG 54.A O no hydrogen 2.924 N/A GLN 59.A N THR 55.A O no hydrogen 2.606 N/A GLY 60.A N ALA 56.A O no hydrogen 2.935 N/A VAL 61.A N MET 57.A O no hydrogen 2.925 N/A ILE 62.A N ARG 58.A O no hydrogen 3.276 N/A SER 63.A N GLN 59.A O no hydrogen 3.146 N/A GLN 64.A N GLY 60.A O no hydrogen 3.228 N/A ARG 65.A N VAL 61.A O no hydrogen 3.035 N/A THR 66.A N ILE 62.A O no hydrogen 3.032 N/A THR 66.A OG1 ILE 62.A O no hydrogen 2.674 N/A ALA 67.A N SER 63.A O no hydrogen 3.078 N/A TRP 68.A N GLN 64.A O no hydrogen 2.962 N/A TRP 68.A NE1 ASP 14.A OD1 no hydrogen 2.636 N/A ILE 69.A N ARG 65.A O no hydrogen 2.675 N/A ARG 70.A N THR 66.A O no hydrogen 2.927 N/A GLU 71.A N ALA 67.A O no hydrogen 2.812 N/A GLN 72.A N TRP 68.A O no hydrogen 2.909 N/A ALA 73.A N ILE 69.A O no hydrogen 2.925 N/A LYS 74.A N GLU 71.A O no hydrogen 3.512 N/A LEU 77.A N ALA 73.A O no hydrogen 3.059 N/A LEU 77.A N LYS 74.A O no hydrogen 2.954 N/A GLU 78.A N LYS 74.A O no hydrogen 2.782 N/A ALA 79.A N TYR 75.A O no hydrogen 2.774 N/A GLY 80.A N LEU 77.A O no hydrogen 2.551 N/A VAL 81.A N TYR 76.A O no hydrogen 2.701 N/A GLU 84.A N ILE 33.A O no hydrogen 2.867 N/A LYS 86.A N ALA 35.A O no hydrogen 2.978 N/A VAL 88.A N LEU 37.A O no hydrogen 2.974 N/A HIS 90.A N ILE 39.A O no hydrogen 3.004 N/A ARG 92.A N HIS 90.A ND1 no hydrogen 3.218 N/A ALA 96.A N ARG 92.A O no hydrogen 2.837 N/A ILE 97.A N PRO 93.A O no hydrogen 2.762 N/A ILE 98.A N PHE 94.A O no hydrogen 3.040 N/A GLN 99.A N GLU 95.A O no hydrogen 2.877 N/A GLU 100.A N ALA 96.A O no hydrogen 2.868 N/A VAL 101.A N ILE 97.A O no hydrogen 3.016 N/A ILE 102.A N ILE 98.A O no hydrogen 3.246 N/A ALA 103.A N GLN 99.A O no hydrogen 2.847 N/A GLY 104.A N GLU 100.A O no hydrogen 2.624 N/A SER 105.A N ILE 102.A O no hydrogen 3.309 N/A HIS 106.A N VAL 101.A O no hydrogen 2.973 N/A ASP 107.A N ASN 4.A O no hydrogen 3.135 N/A VAL 109.A N PRO 138.A O no hydrogen 2.911 N/A LEU 110.A N LEU 6.A O no hydrogen 2.802 N/A LYS 111.A N TRP 140.A O no hydrogen 3.190 N/A LYS 111.A NZ ASP 128.A OD1 no hydrogen 2.743 N/A ALA 113.A N VAL 142.A O no hydrogen 2.819 N/A HIS 114.A ND1 ASP 144.A OD2 no hydrogen 2.635 N/A GLN 115.A N ASP 144.A OD1 no hydrogen 3.027 N/A GLN 115.A NE2 GLU 120.A O no hydrogen 2.512 N/A LEU 119.A N ASP 117.A OD2 no hydrogen 3.092 N/A GLU 120.A N ASP 117.A O no hydrogen 2.989 N/A VAL 122.A N LEU 274.A O no hydrogen 3.021 N/A ILE 123.A N HIS 114.A O no hydrogen 2.749 N/A THR 125.A N ASP 128.A OD2 no hydrogen 2.605 N/A ASP 128.A N THR 125.A OG1 no hydrogen 3.051 N/A TRP 129.A N THR 125.A O no hydrogen 3.115 N/A HIS 130.A N PRO 126.A O no hydrogen 3.006 N/A LEU 131.A N THR 127.A O no hydrogen 2.962 N/A LEU 132.A N ASP 128.A O no hydrogen 2.901 N/A ARG 133.A N TRP 129.A O no hydrogen 3.073 N/A ARG 133.A NE GLU 268.A OE2 no hydrogen 3.324 N/A ARG 133.A NH2 GLU 268.A OE1 no hydrogen 3.199 N/A LYS 134.A N LEU 131.A O no hydrogen 2.992 N/A CYS 135.A N LEU 131.A O no hydrogen 2.727 N/A CYS 135.A SG SER 137.A O no hydrogen 3.823 N/A CYS 135.A SG SER 137.A OG no hydrogen 3.562 N/A SER 137.A OG PRO 138.A O no hydrogen 3.065 N/A VAL 139.A N VAL 280.A O no hydrogen 3.149 N/A TRP 140.A N VAL 109.A O no hydrogen 2.740 N/A TRP 140.A NE1 ASP 277.A OD2 no hydrogen 2.718 N/A MET 141.A N LEU 278.A O no hydrogen 2.757 N/A VAL 142.A N LYS 111.A O no hydrogen 2.905 N/A LYS 143.A N ASP 277.A OD1 no hydrogen 2.997 N/A LYS 143.A NZ GLN 115.A OE1 no hydrogen 2.744 N/A LYS 143.A NZ ARG 275.A O no hydrogen 2.766 N/A ASP 144.A N ALA 113.A O no hydrogen 3.257 N/A GLN 145.A NE2 GLN 115.A O no hydrogen 3.080 N/A GLY 151.A N PRO 148.A O no hydrogen 2.927 N/A LYS 152.A N GLN 251.A O no hydrogen 2.945 N/A ALA 153.A N GLU 185.A O no hydrogen 2.943 N/A LEU 154.A N ILE 254.A O no hydrogen 3.083 N/A VAL 155.A N HIS 187.A O no hydrogen 2.887 N/A ALA 156.A N VAL 256.A O no hydrogen 3.031 N/A VAL 157.A N VAL 189.A O no hydrogen 2.850 N/A ASN 158.A N ASN 167.A OD1 no hydrogen 2.986 N/A ALA 160.A N ASN 158.A OD1 no hydrogen 3.365 N/A ALA 165.A N TYR 162.A O no hydrogen 3.056 N/A ASN 167.A N HIS 163.A O no hydrogen 3.086 N/A ASN 167.A ND2 ASN 158.A O no hydrogen 2.618 N/A GLU 168.A N ASN 164.A O no hydrogen 3.017 N/A LYS 169.A N ALA 165.A O no hydrogen 2.926 N/A LEU 170.A N LEU 166.A O no hydrogen 3.009 N/A VAL 171.A N ASN 167.A O no hydrogen 3.022 N/A LYS 172.A N GLU 168.A O no hydrogen 2.920 N/A GLU 173.A N LYS 169.A O no hydrogen 2.930 N/A THR 174.A N LEU 170.A O no hydrogen 3.060 N/A THR 174.A OG1 LEU 170.A O no hydrogen 2.672 N/A LEU 175.A N VAL 171.A O no hydrogen 2.941 N/A GLN 176.A N LYS 172.A O no hydrogen 2.945 N/A LEU 177.A N GLU 173.A O no hydrogen 3.140 N/A ALA 178.A N THR 174.A O no hydrogen 2.902 N/A GLU 179.A N LEU 175.A O no hydrogen 3.118 N/A GLN 180.A N GLN 176.A O no hydrogen 3.396 N/A VAL 181.A N LEU 177.A O no hydrogen 2.715 N/A THR 184.A N VAL 181.A O no hydrogen 3.401 N/A THR 184.A OG1 VAL 181.A O no hydrogen 3.132 N/A HIS 187.A N ALA 153.A O no hydrogen 2.654 N/A HIS 187.A ND1 HIS 233.A NE2 no hydrogen 2.806 N/A HIS 187.A NE2 GLU 185.A OE1 no hydrogen 2.402 N/A LEU 188.A N VAL 231.A O no hydrogen 2.976 N/A VAL 189.A N VAL 155.A O no hydrogen 2.991 N/A GLY 190.A N HIS 233.A O no hydrogen 3.070 N/A TYR 192.A N GLU 235.A O no hydrogen 2.777 N/A ALA 200.A N PRO 196.A O no hydrogen 2.987 N/A GLU 202.A N ILE 199.A O no hydrogen 3.147 N/A ALA 209.A N VAL 205.A O no hydrogen 2.823 N/A ILE 210.A N TYR 206.A O no hydrogen 2.775 N/A ARG 211.A N ASN 207.A O no hydrogen 2.909 N/A ARG 211.A NH1 TYR 192.A OH no hydrogen 2.783 N/A ARG 211.A NH1 VAL 234.A O no hydrogen 2.914 N/A ARG 211.A NH2 VAL 234.A O no hydrogen 3.346 N/A GLY 212.A N ASP 208.A O no hydrogen 2.782 N/A GLN 213.A N ALA 209.A O no hydrogen 3.169 N/A HIS 214.A N ILE 210.A O no hydrogen 3.204 N/A LEU 215.A N ARG 211.A O no hydrogen 3.050 N/A LEU 216.A N GLY 212.A O no hydrogen 3.040 N/A ALA 217.A N GLN 213.A O no hydrogen 2.854 N/A MET 218.A N HIS 214.A O no hydrogen 2.828 N/A LYS 219.A N LEU 215.A O no hydrogen 2.946 N/A ALA 220.A N LEU 216.A O no hydrogen 2.989 N/A LEU 221.A N ALA 217.A O no hydrogen 3.276 N/A ARG 222.A N MET 218.A O no hydrogen 2.761 N/A ARG 222.A NH1 ILE 227.A O no hydrogen 2.732 N/A GLN 223.A N LYS 219.A O no hydrogen 2.834 N/A LYS 224.A N ALA 220.A O no hydrogen 2.887 N/A PHE 225.A N ARG 222.A O no hydrogen 3.206 N/A SER 226.A N GLN 223.A O no hydrogen 3.218 N/A ILE 227.A N ARG 222.A O no hydrogen 2.688 N/A LYS 230.A N ASP 228.A OD1 no hydrogen 2.845 N/A VAL 231.A N ASP 228.A O no hydrogen 3.463 N/A THR 232.A N GLU 229.A O no hydrogen 3.153 N/A HIS 233.A N LEU 188.A O no hydrogen 2.734 N/A HIS 233.A NE2 HIS 187.A ND1 no hydrogen 2.806 N/A GLU 235.A N GLY 190.A O no hydrogen 2.978 N/A GLY 237.A N TYR 192.A O no hydrogen 2.792 N/A GLU 240.A N GLU 240.A OE1 no hydrogen 2.497 N/A GLU 241.A N LEU 238.A O no hydrogen 2.643 N/A VAL 242.A N LEU 238.A O no hydrogen 2.863 N/A ILE 243.A N PRO 239.A O no hydrogen 2.898 N/A ASP 245.A N GLU 241.A O no hydrogen 3.123 N/A LEU 246.A N VAL 242.A O no hydrogen 2.841 N/A ALA 247.A N ILE 243.A O no hydrogen 2.842 N/A GLU 248.A N PRO 244.A O no hydrogen 2.961 N/A HIS 249.A N ASP 245.A O no hydrogen 2.905 N/A LEU 250.A N LEU 246.A O no hydrogen 2.662 N/A GLN 251.A N GLU 248.A O no hydrogen 2.964 N/A ALA 252.A N ALA 247.A O no hydrogen 2.934 N/A GLY 253.A N LYS 152.A O no hydrogen 2.580 N/A VAL 255.A N ASP 277.A O no hydrogen 2.909 N/A VAL 256.A N LEU 154.A O no hydrogen 2.736 N/A LEU 257.A N LEU 279.A O no hydrogen 2.894 N/A THR 259.A N ILE 281.A O no hydrogen 3.086 N/A VAL 260.A N LEU 263.A O no hydrogen 3.186 N/A LEU 263.A N GLU 268.A OE2 no hydrogen 2.858 N/A GLU 268.A N GLY 264.A O no hydrogen 3.078 N/A GLN 269.A N ASN 265.A O no hydrogen 2.959 N/A VAL 270.A N THR 266.A O no hydrogen 3.028 N/A ILE 271.A N ALA 267.A O no hydrogen 3.036 N/A HIS 273.A N VAL 270.A O no hydrogen 2.655 N/A HIS 273.A ND1 GLN 269.A O no hydrogen 2.644 N/A LEU 274.A N ILE 271.A O no hydrogen 3.296 N/A CYS 276.A SG ASP 277.A O no hydrogen 3.477 N/A ASP 277.A N GLY 253.A O no hydrogen 3.159 N/A LEU 278.A N MET 141.A O no hydrogen 3.161 N/A LEU 279.A N VAL 255.A O no hydrogen 2.870 N/A VAL 280.A N VAL 139.A O no hydrogen 2.941 N/A ILE 281.A N LEU 257.A O no hydrogen 2.893 N/A LYS 282.A NZ LEU 132.A O no hydrogen 2.703 N/A LYS 282.A NZ CYS 135.A O no hydrogen 2.776 N/A