Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2vrx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N ASP 6.A OD1 no hydrogen 3.057 N/A THR 3.A OG1 ASP 5.A OD2.B no hydrogen 2.888 N/A ASP 6.A N THR 3.A O no hydrogen 3.012 N/A PHE 7.A N ILE 4.A O no hydrogen 3.111 N/A ASP 8.A N ARG 25.A O no hydrogen 2.760 N/A GLY 10.A N LEU 23.A O no hydrogen 2.763 N/A ARG 11.A N LEU 23.A O no hydrogen 3.427 N/A LEU 13.A N VAL 21.A O no hydrogen 2.680 N/A GLY 14.A N VAL 21.A O no hydrogen 3.298 N/A VAL 21.A N GLY 14.A O no hydrogen 2.916 N/A TYR 22.A N LEU 35.A O no hydrogen 2.890 N/A LEU 23.A N ARG 11.A O no hydrogen 2.759 N/A ALA 24.A N MET 33.A O no hydrogen 2.883 N/A ARG 25.A N ASP 8.A O no hydrogen 2.833 N/A ARG 25.A NE ASP 8.A OD2 no hydrogen 3.218 N/A ARG 25.A NH2 ASP 8.A OD2 no hydrogen 3.367 N/A GLU 26.A N PHE 31.A O no hydrogen 2.883 N/A LYS 27.A N ASP 6.A O no hydrogen 2.933 N/A LYS 27.A NZ ASP 5.A O.A no hydrogen 2.808 N/A LYS 27.A NZ ASP 5.A O.B no hydrogen 2.973 N/A GLN 28.A N GLU 26.A OE2 no hydrogen 2.808 N/A PHE 31.A N GLU 26.A O no hydrogen 3.228 N/A MET 33.A N ALA 24.A O no hydrogen 2.794 N/A ALA 34.A N LEU 84.A O no hydrogen 2.829 N/A LEU 35.A N TYR 22.A O no hydrogen 2.808 N/A LYS 36.A N LEU 82.A O no hydrogen 2.927 N/A VAL 37.A N ASN 20.A O no hydrogen 2.917 N/A LEU 38.A N ILE 80.A O no hydrogen 2.715 N/A PHE 39.A N PHE 18.A O no hydrogen 2.828 N/A LYS 40.A N LYS 78.A O no hydrogen 3.058 N/A LYS 40.A NZ HIS 75.A ND1 no hydrogen 2.837 N/A LYS 40.A NZ ASP 76.A O no hydrogen 2.787 N/A GLN 42.A NE2 LYS 17.A O no hydrogen 2.756 N/A LEU 43.A N PHE 39.A O no hydrogen 3.091 N/A GLU 44.A N LYS 40.A O no hydrogen 3.052 N/A LYS 45.A N SER 41.A O no hydrogen 2.883 N/A GLU 46.A N GLN 42.A O no hydrogen 3.006 N/A GLY 47.A N GLU 44.A O no hydrogen 3.073 N/A VAL 48.A N LEU 43.A O no hydrogen 3.066 N/A GLU 49.A N GLU 49.A OE1 no hydrogen 2.986 N/A LEU 52.A N VAL 48.A O no hydrogen 2.890 N/A ARG 53.A N GLU 49.A O no hydrogen 3.039 N/A ARG 54.A N HIS 50.A O no hydrogen 3.029 N/A GLU 55.A N GLN 51.A O no hydrogen 3.018 N/A ILE 56.A N LEU 52.A O no hydrogen 2.901 N/A GLU 57.A N ARG 53.A O no hydrogen 2.917 N/A ILE 58.A N ARG 54.A O no hydrogen 2.944 N/A GLN 59.A N GLU 55.A O no hydrogen 2.970 N/A GLN 59.A NE2 LEU 68.A O no hydrogen 2.966 N/A SER 60.A N.A ILE 56.A O no hydrogen 2.930 N/A SER 60.A N.B ILE 56.A O no hydrogen 2.926 N/A SER 60.A OG.A ILE 56.A O no hydrogen 2.527 N/A SER 60.A OG.A GLU 57.A O no hydrogen 3.179 N/A SER 60.A OG.B ILE 56.A O no hydrogen 2.480 N/A HIS 61.A N ILE 58.A O no hydrogen 3.265 N/A LEU 62.A N GLN 59.A O no hydrogen 3.326 N/A ARG 63.A N TYR 120.A OH no hydrogen 2.882 N/A ASN 66.A ND2 HIS 64.A NE2 no hydrogen 3.576 N/A ILE 67.A N HIS 64.A O no hydrogen 3.024 N/A LEU 68.A N ILE 146.A O no hydrogen 2.885 N/A ARG 69.A N GLU 85.A OE2 no hydrogen 3.003 N/A TYR 71.A N MET 83.A O no hydrogen 2.784 N/A TYR 73.A N ASN 72.A OD1 no hydrogen 2.768 N/A PHE 74.A N TYR 81.A O no hydrogen 3.007 N/A ASP 76.A N ARG 79.A O no hydrogen 2.971 N/A LYS 78.A N ASP 76.A OD1 no hydrogen 3.132 N/A ARG 79.A N ASP 76.A OD1 no hydrogen 2.918 N/A ILE 80.A N LEU 38.A O no hydrogen 2.723 N/A TYR 81.A N PHE 74.A O no hydrogen 2.805 N/A TYR 81.A OH ASP 76.A OD2 no hydrogen 2.593 N/A LEU 82.A N LYS 36.A O no hydrogen 2.768 N/A MET 83.A N ASN 72.A O no hydrogen 2.994 N/A LEU 84.A N ALA 34.A O no hydrogen 2.808 N/A GLU 85.A N ARG 69.A O no hydrogen 2.814 N/A ARG 89.A N MET 138.A O no hydrogen 2.983 N/A ARG 89.A NE TYR 140.A O no hydrogen 3.276 N/A GLY 90.A N ALA 87.A O no hydrogen 2.951 N/A LEU 92.A N LEU 136.A O no hydrogen 3.052 N/A LYS 94.A NZ TYR 93.A OH no hydrogen 3.544 N/A GLU 95.A N GLU 91.A O no hydrogen 3.440 N/A LEU 96.A N LEU 92.A O no hydrogen 2.921 N/A GLN 97.A N TYR 93.A O no hydrogen 2.877 N/A LYS 98.A N LYS 94.A O no hydrogen 2.897 N/A HIS 99.A N GLU 95.A O no hydrogen 3.062 N/A GLY 100.A N LEU 96.A O no hydrogen 2.701 N/A PHE 102.A N PHE 195.A O no hydrogen 2.732 N/A ARG 106.A N ASP 103.A OD1 no hydrogen 2.790 N/A ARG 106.A NH1 GLU 95.A OE1 no hydrogen 2.696 N/A ARG 106.A NH2 GLU 95.A OE1 no hydrogen 2.972 N/A SER 107.A N ASP 103.A O no hydrogen 2.997 N/A SER 107.A OG ASP 103.A O no hydrogen 2.927 N/A ALA 108.A N GLU 104.A O no hydrogen 2.785 N/A THR 109.A N GLN 105.A O no hydrogen 3.005 N/A THR 109.A OG1 GLN 105.A O no hydrogen 2.852 N/A PHE 110.A N ARG 106.A O no hydrogen 3.117 N/A MET 111.A N SER 107.A O no hydrogen 2.908 N/A GLU 112.A N ALA 108.A O no hydrogen 2.970 N/A GLU 113.A N THR 109.A O no hydrogen 2.982 N/A LEU 114.A N PHE 110.A O no hydrogen 2.759 N/A ALA 115.A N MET 111.A O no hydrogen 2.887 N/A ASP 116.A N GLU 112.A O no hydrogen 3.012 N/A ALA 117.A N GLU 113.A O no hydrogen 3.066 N/A LEU 118.A N LEU 114.A O no hydrogen 2.909 N/A HIS 119.A N ALA 115.A O no hydrogen 2.864 N/A TYR 120.A N ASP 116.A O no hydrogen 3.069 N/A CYS 121.A N ALA 117.A O no hydrogen 2.988 N/A CYS 121.A SG ALA 117.A O no hydrogen 3.513 N/A HIS 122.A N LEU 118.A O no hydrogen 2.817 N/A HIS 122.A NE2 ASP 184.A OD2 no hydrogen 2.774 N/A GLU 123.A N HIS 119.A O no hydrogen 2.874 N/A ARG 124.A N CYS 121.A O no hydrogen 2.860 N/A ARG 124.A NH1 TYR 120.A O no hydrogen 2.982 N/A ARG 124.A NH1 GLU 123.A OE1 no hydrogen 3.248 N/A LYS 125.A N HIS 122.A O no hydrogen 2.955 N/A LYS 125.A NZ PRO 156.A O no hydrogen 2.599 N/A VAL 126.A N CYS 121.A O no hydrogen 2.948 N/A ILE 127.A N VAL 153.A O no hydrogen 2.947 N/A HIS 128.A N ASP 184.A OD2 no hydrogen 2.804 N/A HIS 128.A NE2 ASP 148.A O no hydrogen 2.517 N/A ARG 129.A N ASP 184.A OD1 no hydrogen 2.798 N/A ARG 129.A NE TRP 151.A O no hydrogen 2.946 N/A ARG 129.A NH1 HIS 179.A NE2 no hydrogen 3.075 N/A ARG 129.A NH2 TRP 151.A O no hydrogen 3.120 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 3.106 N/A LYS 132.A NZ THR 165.A OG1 no hydrogen 3.038 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.716 N/A ASN 135.A N LYS 132.A O no hydrogen 2.934 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.687 N/A ASN 135.A ND2 ASP 130.A OD2 no hydrogen 2.967 N/A LEU 136.A N PRO 133.A O no hydrogen 3.037 N/A LEU 137.A N LYS 145.A O no hydrogen 2.840 N/A MET 138.A N GLY 90.A O no hydrogen 2.900 N/A GLY 139.A N GLU 143.A O no hydrogen 2.817 N/A LYS 141.A N GLU 143.A OE2 no hydrogen 2.733 N/A GLY 142.A N GLY 139.A O no hydrogen 2.823 N/A GLU 143.A N GLU 143.A OE2 no hydrogen 2.832 N/A LEU 144.A N GLU 113.A OE1 no hydrogen 2.907 N/A LYS 145.A N LEU 137.A O no hydrogen 2.832 N/A LYS 145.A NZ PRO 65.A O no hydrogen 2.675 N/A LYS 145.A NZ GLU 85.A OE1 no hydrogen 2.738 N/A ILE 146.A N ASN 66.A O no hydrogen 2.810 N/A ALA 147.A N ASN 135.A O no hydrogen 2.947 N/A GLY 150.A N ASP 148.A OD1 no hydrogen 2.860 N/A SER 152.A N PHE 149.A O no hydrogen 3.038 N/A SER 152.A OG HIS 128.A O no hydrogen 3.159 N/A VAL 153.A N ILE 127.A O no hydrogen 3.050 N/A ALA 155.A N LYS 125.A O no hydrogen 2.819 N/A ARG 160.A N HIS 179.A O no hydrogen 2.709 N/A THR 165.A OG1 ASP 130.A OD1 no hydrogen 2.736 N/A TYR 168.A N THR 165.A O no hydrogen 2.670 N/A TYR 168.A OH GLU 194.A OE1 no hydrogen 2.589 N/A LEU 169.A N LEU 166.A O no hydrogen 3.274 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.802 N/A MET 173.A N PRO 170.A O no hydrogen 3.137 N/A ILE 174.A N PRO 170.A O no hydrogen 3.361 N/A GLU 175.A N PRO 171.A O no hydrogen 2.894 N/A GLY 176.A N MET 173.A O no hydrogen 3.159 N/A LYS 177.A N GLU 172.A O no hydrogen 2.869 N/A HIS 179.A N ARG 160.A O no hydrogen 2.766 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.773 N/A LYS 182.A N ASP 180.A OD1 no hydrogen 2.962 N/A LYS 182.A NZ ASP 180.A OD2 no hydrogen 2.853 N/A LYS 182.A NZ GLU 181.A OE2 no hydrogen 2.803 N/A VAL 183.A N ASP 180.A O no hydrogen 3.206 N/A ASP 184.A N GLU 181.A O no hydrogen 3.070 N/A LEU 185.A N LYS 182.A O no hydrogen 3.158 N/A TRP 186.A N LYS 182.A O no hydrogen 3.357 N/A CYS 187.A N VAL 183.A O no hydrogen 3.055 N/A CYS 187.A SG TYR 168.A O no hydrogen 3.309 N/A CYS 187.A SG VAL 183.A O no hydrogen 3.382 N/A ALA 188.A N ASP 184.A O no hydrogen 2.967 N/A GLY 189.A N LEU 185.A O no hydrogen 3.210 N/A VAL 190.A N TRP 186.A O no hydrogen 3.074 N/A LEU 191.A N CYS 187.A O no hydrogen 2.868 N/A CYS 192.A N ALA 188.A O no hydrogen 2.900 N/A TYR 193.A N GLY 189.A O no hydrogen 3.119 N/A TYR 193.A OH LYS 220.A O no hydrogen 3.028 N/A GLU 194.A N VAL 190.A O no hydrogen 2.878 N/A PHE 195.A N LEU 191.A O no hydrogen 2.783 N/A LEU 196.A N CYS 192.A O no hydrogen 3.164 N/A VAL 197.A N TYR 193.A O no hydrogen 2.883 N/A GLY 198.A N GLU 194.A O no hydrogen 2.782 N/A ASP 203.A N PRO 200.A O no hydrogen 3.461 N/A SER 204.A OG.A PHE 202.A O no hydrogen 3.115 N/A SER 204.A OG.B THR 210.A OG1 no hydrogen 2.554 N/A GLU 209.A N SER 206.A OG no hydrogen 3.135 N/A THR 210.A N SER 206.A O no hydrogen 2.981 N/A THR 210.A OG1 SER 204.A OG.B no hydrogen 2.554 N/A THR 210.A OG1 SER 206.A O no hydrogen 3.054 N/A HIS 211.A N HIS 207.A O no hydrogen 2.889 N/A ARG 212.A N THR 208.A O no hydrogen 2.949 N/A ARG 212.A NH1 GLU 209.A OE1 no hydrogen 3.445 N/A ARG 213.A N GLU 209.A O no hydrogen 2.979 N/A ARG 213.A NE ASP 218.A OD2 no hydrogen 3.142 N/A ARG 213.A NH1 ASP 203.A O no hydrogen 3.100 N/A ARG 213.A NH2 ASP 218.A O no hydrogen 2.965 N/A ILE 214.A N THR 210.A O no hydrogen 3.002 N/A VAL 215.A N HIS 211.A O no hydrogen 3.158 N/A ASN 216.A N ARG 212.A O no hydrogen 3.138 N/A VAL 217.A N ILE 214.A O no hydrogen 2.825 N/A ASP 218.A N ARG 213.A O no hydrogen 2.717 N/A LEU 219.A N VAL 217.A O no hydrogen 2.785 N/A LYS 220.A NZ ASP 218.A OD1 no hydrogen 2.585 N/A LYS 220.A NZ ASP 218.A OD2 no hydrogen 3.388 N/A LEU 225.A N PRO 222.A O no hydrogen 3.369 N/A SER 226.A OG GLU 104.A OE2 no hydrogen 2.543 N/A SER 226.A OG SER 229.A OG no hydrogen 3.430 N/A SER 229.A N SER 226.A OG no hydrogen 3.098 N/A SER 229.A OG SER 226.A O no hydrogen 3.114 N/A SER 229.A OG SER 226.A OG no hydrogen 3.430 N/A LYS 230.A N SER 226.A O no hydrogen 3.129 N/A ASP 231.A N ASP 227.A O no hydrogen 2.846 N/A LEU 232.A N GLY 228.A O no hydrogen 3.118 N/A ILE 233.A N SER 229.A O no hydrogen 2.982 N/A SER 234.A N LYS 230.A O no hydrogen 2.891 N/A SER 234.A OG LYS 230.A O no hydrogen 2.983 N/A LYS 235.A N ASP 231.A O no hydrogen 3.032 N/A LYS 235.A NZ ASP 231.A OD2 no hydrogen 2.764 N/A LEU 236.A N LEU 232.A O no hydrogen 3.088 N/A LEU 236.A N ILE 233.A O no hydrogen 3.042 N/A LEU 237.A N ILE 233.A O no hydrogen 2.829 N/A TYR 239.A OH GLU 175.A OE1 no hydrogen 2.495 N/A TYR 239.A OH GLU 175.A OE2 no hydrogen 3.419 N/A GLN 243.A N HIS 240.A O no hydrogen 2.876 N/A ARG 244.A N PRO 241.A O no hydrogen 3.071 N/A ARG 244.A NE ARG 238.A O.A no hydrogen 2.787 N/A ARG 244.A NE ARG 238.A O.B no hydrogen 2.732 N/A ARG 244.A NH1 GLU 172.A OE1 no hydrogen 3.539 N/A ARG 244.A NH1 GLU 172.A OE2 no hydrogen 2.778 N/A ARG 244.A NH1 LYS 182.A O no hydrogen 3.129 N/A ARG 244.A NH2 GLU 172.A OE1 no hydrogen 2.848 N/A ARG 244.A NH2 ARG 238.A O.A no hydrogen 3.049 N/A ARG 244.A NH2 ARG 238.A O.B no hydrogen 3.102 N/A LEU 245.A N LYS 235.A O no hydrogen 2.950 N/A VAL 250.A N PRO 246.A O no hydrogen 3.039 N/A MET 251.A N LEU 247.A O no hydrogen 3.101 N/A GLU 252.A N LYS 248.A O no hydrogen 2.993 N/A HIS 253.A N VAL 250.A O no hydrogen 3.136 N/A HIS 253.A NE2 ASP 231.A OD2 no hydrogen 2.755 N/A TRP 255.A N HIS 253.A ND1 no hydrogen 3.012 N/A TRP 255.A NE1 GLU 104.A OE2 no hydrogen 2.709 N/A LYS 257.A N HIS 253.A O no hydrogen 2.937 N/A ALA 258.A N PRO 254.A O no hydrogen 2.829 N/A ASN 259.A N TRP 255.A O no hydrogen 3.166 N/A ASN 259.A ND2 TRP 255.A O no hydrogen 2.890 N/A SER 260.A N VAL 256.A O no hydrogen 2.901 N/A SER 260.A OG GLU 112.A OE1 no hydrogen 2.566 N/A ARG 261.A N THR 109.A OG1 no hydrogen 2.792 N/A ARG 262.A N SER 260.A OG no hydrogen 3.269 N/A ARG 262.A NH1 GLU 112.A OE2 no hydrogen 3.512 N/A ARG 262.A NH1 ASP 116.A OD2 no hydrogen 2.828 N/A ARG 262.A NH2 ASP 116.A OD2 no hydrogen 2.680 N/A