Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jwb_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ASP 30.A OD2 no hydrogen 2.636 N/A SER 4.A N GLU 7.A OE1 no hydrogen 2.938 N/A SER 4.A OG GLN 6.A OE1 no hydrogen 3.439 N/A GLU 7.A N SER 4.A OG no hydrogen 2.982 N/A MET 8.A N SER 4.A O no hydrogen 2.958 N/A LEU 9.A N ASP 5.A O no hydrogen 3.216 N/A ARG 10.A N GLN 6.A O no hydrogen 2.979 N/A ARG 10.A NH2 ILE 96.A O no hydrogen 3.039 N/A TYR 11.A N GLU 7.A O no hydrogen 2.717 N/A ASN 12.A N LEU 9.A O no hydrogen 3.164 N/A GLN 14.A N TYR 11.A O no hydrogen 3.002 N/A ILE 15.A N TYR 11.A O no hydrogen 2.979 N/A ILE 16.A N ASN 12.A O no hydrogen 2.984 N/A LEU 17.A N GLN 14.A O no hydrogen 2.930 N/A PHE 20.A N LEU 17.A O no hydrogen 2.917 N/A ASP 21.A N LEU 17.A O no hydrogen 3.234 N/A PHE 22.A N ASP 21.A OD1 no hydrogen 2.965 N/A GLY 24.A N PHE 20.A O no hydrogen 2.937 N/A GLN 25.A N ASP 21.A O no hydrogen 3.094 N/A GLN 25.A NE2 ALA 52.A O no hydrogen 2.889 N/A GLU 26.A N PHE 22.A O no hydrogen 2.731 N/A ALA 27.A N ASP 23.A O no hydrogen 2.749 N/A LEU 28.A N GLY 24.A O no hydrogen 3.041 N/A LYS 29.A N GLN 25.A O no hydrogen 2.928 N/A LYS 29.A NZ GLU 2.A O no hydrogen 2.462 N/A LYS 29.A NZ GLU 7.A OE1 no hydrogen 2.588 N/A LYS 29.A NZ GLU 7.A OE2 no hydrogen 3.440 N/A ASP 30.A N GLU 26.A O no hydrogen 2.949 N/A SER 31.A N LEU 28.A O no hydrogen 2.997 N/A SER 31.A OG ALA 27.A O no hydrogen 2.737 N/A ARG 32.A N ASP 122.A OD2 no hydrogen 2.792 N/A VAL 33.A N ASN 56.A O no hydrogen 2.818 N/A LEU 34.A N LEU 123.A O no hydrogen 2.899 N/A ILE 35.A N THR 58.A O no hydrogen 2.846 N/A VAL 36.A N LEU 125.A O no hydrogen 2.997 N/A GLY 37.A N LEU 60.A O no hydrogen 2.827 N/A LEU 38.A N ASP 61.A OD2 no hydrogen 2.876 N/A CYS 43.A N GLY 39.A O no hydrogen 2.846 N/A CYS 43.A SG LEU 38.A O no hydrogen 3.784 N/A CYS 43.A SG GLY 39.A O no hydrogen 3.289 N/A ALA 44.A N GLY 40.A O no hydrogen 3.087 N/A ALA 45.A N LEU 41.A O no hydrogen 2.770 N/A SER 46.A N GLY 42.A O no hydrogen 2.778 N/A SER 46.A OG GLY 42.A O no hydrogen 2.564 N/A SER 46.A OG CYS 43.A O no hydrogen 3.319 N/A GLN 47.A N CYS 43.A O no hydrogen 3.116 N/A LEU 49.A N ALA 45.A O no hydrogen 2.912 N/A ALA 50.A N SER 46.A O no hydrogen 2.770 N/A SER 51.A N GLN 47.A O no hydrogen 2.945 N/A SER 51.A OG TYR 48.A O no hydrogen 3.390 N/A ALA 52.A N TYR 48.A O no hydrogen 2.849 N/A GLY 53.A N LEU 49.A O no hydrogen 3.162 N/A GLY 53.A N ALA 50.A O no hydrogen 3.006 N/A VAL 54.A N LEU 49.A O no hydrogen 3.089 N/A GLY 55.A N LEU 28.A O no hydrogen 2.859 N/A ASN 56.A ND2 SER 31.A O no hydrogen 2.942 N/A LEU 57.A N ALA 101.A O no hydrogen 2.941 N/A THR 58.A N VAL 33.A O no hydrogen 2.861 N/A THR 58.A OG1 HIS 121.A NE2 no hydrogen 2.729 N/A LEU 59.A N THR 103.A O no hydrogen 2.790 N/A LEU 60.A N ILE 35.A O no hydrogen 3.043 N/A ASP 61.A N VAL 105.A O no hydrogen 3.216 N/A ASP 63.A N ASP 61.A OD1 no hydrogen 2.983 N/A VAL 65.A N GLN 83.A O no hydrogen 2.719 N/A SER 66.A N ASN 69.A OD1 no hydrogen 2.770 N/A ASN 69.A N SER 66.A O no hydrogen 3.082 N/A LEU 70.A N LEU 67.A O no hydrogen 3.080 N/A GLN 71.A N SER 68.A O no hydrogen 3.504 N/A GLN 71.A NE2 VAL 184.A O no hydrogen 2.810 N/A ARG 72.A N ASN 69.A O no hydrogen 2.966 N/A ARG 72.A NH1 GLN 71.A OE1 no hydrogen 2.901 N/A GLN 73.A N ASN 69.A O no hydrogen 2.654 N/A HIS 76.A N GLN 73.A O no hydrogen 2.885 N/A HIS 76.A ND1 SER 88.A OG no hydrogen 2.557 N/A HIS 76.A NE2 LEU 38.A O no hydrogen 2.883 N/A SER 77.A N THR 80.A OG1 no hydrogen 2.961 N/A THR 80.A N SER 77.A O no hydrogen 2.831 N/A THR 80.A OG1 SER 77.A O no hydrogen 3.106 N/A THR 80.A OG1 SER 88.A OG no hydrogen 2.796 N/A VAL 81.A N ASP 78.A O no hydrogen 3.229 N/A GLY 82.A N VAL 65.A O no hydrogen 2.905 N/A GLN 83.A N THR 80.A O no hydrogen 2.837 N/A LYS 85.A N ASP 63.A O no hydrogen 2.717 N/A LYS 85.A NZ ASP 63.A OD2 no hydrogen 3.018 N/A GLU 87.A N PRO 84.A O no hydrogen 2.972 N/A SER 88.A N PRO 84.A O no hydrogen 3.280 N/A SER 88.A OG HIS 76.A ND1 no hydrogen 2.557 N/A SER 88.A OG THR 80.A OG1 no hydrogen 2.796 N/A ALA 89.A N LYS 85.A O no hydrogen 2.819 N/A ARG 90.A N VAL 86.A O no hydrogen 2.902 N/A ARG 90.A NE ASP 91.A OD1 no hydrogen 3.078 N/A ASP 91.A N GLU 87.A O no hydrogen 2.888 N/A ALA 92.A N SER 88.A O no hydrogen 3.016 N/A LEU 93.A N ALA 89.A O no hydrogen 2.683 N/A THR 94.A N ARG 90.A O no hydrogen 2.832 N/A THR 94.A OG1 ARG 90.A O no hydrogen 2.824 N/A ILE 96.A N ALA 92.A O no hydrogen 3.140 N/A ASN 97.A N LEU 93.A O no hydrogen 2.933 N/A ASN 97.A ND2 TYR 11.A OH no hydrogen 2.844 N/A ASN 97.A ND2 ALA 50.A O no hydrogen 2.953 N/A HIS 99.A N ASN 97.A OD1 no hydrogen 2.957 N/A ALA 101.A N GLY 55.A O no hydrogen 2.818 N/A THR 103.A N LEU 57.A O no hydrogen 2.819 N/A VAL 105.A N LEU 59.A O no hydrogen 2.652 N/A ALA 107.A N ASP 61.A O no hydrogen 3.085 N/A ASP 110.A N GLU 113.A OE1 no hydrogen 2.672 N/A GLU 113.A N ASP 110.A OD1 no hydrogen 2.465 N/A LEU 114.A N ASP 110.A O no hydrogen 2.746 N/A ALA 115.A N ASP 111.A O no hydrogen 2.940 N/A ALA 116.A N ALA 112.A O no hydrogen 3.261 N/A LEU 117.A N GLU 113.A O no hydrogen 2.942 N/A ILE 118.A N LEU 114.A O no hydrogen 2.568 N/A ALA 119.A N ALA 115.A O no hydrogen 3.071 N/A GLU 120.A N ALA 116.A O no hydrogen 3.118 N/A GLU 120.A N LEU 117.A O no hydrogen 3.042 N/A HIS 121.A N ILE 118.A O no hydrogen 3.010 N/A HIS 121.A ND1 LEU 117.A O no hydrogen 2.662 N/A HIS 121.A NE2 THR 58.A OG1 no hydrogen 2.729 N/A ASP 122.A N ARG 32.A O no hydrogen 2.780 N/A VAL 124.A N PRO 147.A O no hydrogen 3.000 N/A LEU 125.A N LEU 34.A O no hydrogen 2.682 N/A ASP 126.A N VAL 149.A O no hydrogen 2.804 N/A CYS 127.A N VAL 36.A O no hydrogen 2.679 N/A CYS 127.A SG GLN 196.A OE1 no hydrogen 3.570 N/A THR 128.A N ASP 126.A OD2 no hydrogen 2.840 N/A THR 128.A OG1 ASP 126.A OD2 no hydrogen 2.530 N/A ASN 130.A ND2 ASP 129.A OD1 no hydrogen 2.935 N/A VAL 133.A N ASN 130.A OD1 no hydrogen 2.995 N/A ARG 134.A N ASN 130.A O no hydrogen 3.197 N/A ARG 134.A NH1 GLY 151.A O no hydrogen 2.944 N/A ARG 134.A NH2 GLY 151.A O no hydrogen 2.727 N/A ASN 135.A N VAL 131.A O no hydrogen 2.824 N/A GLN 136.A N ALA 132.A O no hydrogen 3.004 N/A GLN 136.A NE2 ASP 111.A OD1 no hydrogen 2.121 N/A LEU 137.A N VAL 133.A O no hydrogen 2.740 N/A ASN 138.A N ARG 134.A O no hydrogen 2.878 N/A ASN 138.A ND2 TYR 165.A OH no hydrogen 2.614 N/A ALA 139.A N ASN 135.A O no hydrogen 2.851 N/A GLY 140.A N GLN 136.A O no hydrogen 3.034 N/A CYS 141.A N LEU 137.A O no hydrogen 2.880 N/A CYS 141.A SG LEU 137.A O no hydrogen 3.374 N/A PHE 142.A N ASN 138.A O no hydrogen 2.870 N/A ALA 143.A N ALA 139.A O no hydrogen 3.030 N/A ALA 144.A N GLY 140.A O no hydrogen 3.025 N/A LYS 145.A N PHE 142.A O no hydrogen 3.251 N/A LYS 145.A NZ PHE 142.A O no hydrogen 2.591 N/A VAL 146.A N CYS 141.A O no hydrogen 2.926 N/A LEU 148.A N PHE 163.A O no hydrogen 2.806 N/A VAL 149.A N VAL 124.A O no hydrogen 2.837 N/A SER 150.A N THR 161.A O no hydrogen 2.874 N/A GLY 151.A N ASP 126.A O no hydrogen 3.205 N/A ALA 152.A N GLN 159.A O no hydrogen 2.855 N/A ILE 154.A N GLU 157.A O no hydrogen 3.116 N/A ARG 155.A N GLY 183.A O no hydrogen 2.769 N/A GLU 157.A N ILE 154.A O no hydrogen 2.889 N/A GLY 158.A N TYR 218.A O no hydrogen 2.937 N/A GLN 159.A N ALA 152.A O no hydrogen 2.850 N/A GLN 159.A NE2 GLU 157.A OE2 no hydrogen 3.048 N/A ILE 160.A N VAL 216.A O no hydrogen 2.894 N/A THR 161.A N SER 150.A O no hydrogen 2.989 N/A THR 161.A OG1 LYS 214.A O no hydrogen 2.813 N/A VAL 162.A N ALA 211.A O no hydrogen 3.020 N/A PHE 163.A N LEU 148.A O no hydrogen 2.821 N/A THR 164.A N GLU 169.A OE2 no hydrogen 2.726 N/A THR 164.A OG1 GLU 169.A OE1 no hydrogen 2.335 N/A GLN 166.A N GLU 169.A OE1 no hydrogen 3.367 N/A GLN 166.A NE2 THR 164.A O no hydrogen 2.836 N/A GLU 169.A N GLN 166.A O no hydrogen 3.202 N/A CYS 171.A SG ASN 138.A OD1 no hydrogen 3.332 N/A ARG 173.A NE GLU 237.A OE1 no hydrogen 3.467 N/A ARG 173.A NE GLU 237.A OE2 no hydrogen 3.265 N/A ARG 173.A NH1 SER 176.A OG no hydrogen 3.158 N/A ARG 173.A NH2 GLU 237.A OE2 no hydrogen 2.894 N/A LEU 175.A N TYR 172.A O no hydrogen 2.929 N/A SER 176.A N TYR 172.A O no hydrogen 2.673 N/A SER 176.A OG ASN 135.A OD1 no hydrogen 2.781 N/A ARG 177.A N ARG 173.A O no hydrogen 2.852 N/A ARG 177.A NH1 CYS 174.A O no hydrogen 2.591 N/A LEU 178.A N LEU 175.A O no hydrogen 2.891 N/A PHE 179.A N SER 176.A O no hydrogen 3.188 N/A MET 185.A N ARG 155.A O no hydrogen 3.084 N/A LEU 188.A N MET 185.A O no hydrogen 2.905 N/A ILE 189.A N ALA 186.A O no hydrogen 3.135 N/A VAL 191.A N PRO 187.A O no hydrogen 3.084 N/A ILE 192.A N LEU 188.A O no hydrogen 2.987 N/A GLY 193.A N ILE 189.A O no hydrogen 2.804 N/A SER 194.A N GLY 190.A O no hydrogen 2.928 N/A SER 194.A OG GLY 190.A O no hydrogen 2.595 N/A LEU 195.A N VAL 191.A O no hydrogen 2.987 N/A GLN 196.A N ILE 192.A O no hydrogen 2.825 N/A GLN 196.A NE2 ASP 126.A O no hydrogen 2.992 N/A GLN 196.A NE2 VAL 149.A O no hydrogen 2.941 N/A ALA 197.A N GLY 193.A O no hydrogen 2.852 N/A MET 198.A N SER 194.A O no hydrogen 2.833 N/A GLU 199.A N LEU 195.A O no hydrogen 2.961 N/A ALA 200.A N GLN 196.A O no hydrogen 2.892 N/A ILE 201.A N ALA 197.A O no hydrogen 2.894 N/A LYS 202.A N MET 198.A O no hydrogen 2.897 N/A LYS 202.A NZ GLU 199.A OE1 no hydrogen 2.759 N/A LYS 202.A NZ GLU 199.A OE2 no hydrogen 3.506 N/A LYS 202.A NZ LYS 209.A O no hydrogen 2.752 N/A MET 203.A N GLU 199.A O no hydrogen 2.774 N/A LEU 204.A N ALA 200.A O no hydrogen 2.785 N/A ALA 205.A N ILE 201.A O no hydrogen 2.850 N/A GLY 206.A N MET 203.A O no hydrogen 3.031 N/A TYR 207.A N LYS 202.A O no hydrogen 2.824 N/A ALA 211.A N GLU 199.A OE2 no hydrogen 2.887 N/A LYS 214.A NZ GLU 227.A OE1 no hydrogen 2.840 N/A ILE 215.A N MET 228.A O no hydrogen 2.815 N/A VAL 216.A N ILE 160.A O no hydrogen 2.883 N/A MET 217.A N ARG 226.A O no hydrogen 2.703 N/A TYR 218.A N GLY 158.A O no hydrogen 2.874 N/A ASP 219.A N GLN 224.A O no hydrogen 2.819 N/A ALA 220.A N MET 156.A O no hydrogen 2.871 N/A THR 222.A N ASP 219.A O no hydrogen 3.219 N/A THR 222.A OG1 GLN 224.A OE1 no hydrogen 2.627 N/A CYS 223.A N ALA 220.A O no hydrogen 3.242 N/A GLN 224.A N ASP 219.A O no hydrogen 3.118 N/A ARG 226.A N MET 217.A O no hydrogen 2.892 N/A ARG 226.A NH1 PHE 225.A O no hydrogen 2.819 N/A MET 228.A N ILE 215.A O no hydrogen 2.997 N/A LEU 230.A N GLY 213.A O no hydrogen 2.689 N/A ARG 232.A NE CYS 239.A O no hydrogen 3.275 N/A ARG 232.A NH1 GLN 166.A O no hydrogen 3.442 N/A ARG 232.A NH2 CYS 239.A O no hydrogen 2.762 N/A CYS 236.A N ASN 233.A O no hydrogen 2.576 N/A GLU 237.A N GLU 237.A OE1 no hydrogen 2.593 N/A GLY 240.A N CYS 236.A O no hydrogen 2.556 N/A