Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1isp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 ASN 173.A OD1 no hydrogen 3.151 N/A ASN 3.A ND2 ASP 71.A OD1 no hydrogen 2.987 N/A VAL 5.A N LYS 34.A O no hydrogen 2.944 N/A VAL 6.A N ASP 71.A O no hydrogen 2.859 N/A MET 7.A N TYR 36.A O no hydrogen 2.825 N/A VAL 8.A N VAL 73.A O no hydrogen 2.825 N/A HIS 9.A ND1 GLY 10.A O no hydrogen 2.766 N/A GLY 13.A N GLY 10.A O no hydrogen 2.865 N/A ALA 14.A N ASN 17.A OD1 no hydrogen 2.943 N/A SER 15.A N ASP 39.A OD1 no hydrogen 2.922 N/A SER 15.A OG ASP 39.A OD1 no hydrogen 3.201 N/A SER 15.A OG ASP 39.A OD2 no hydrogen 2.541 N/A ASN 17.A N ALA 14.A O no hydrogen 2.931 N/A PHE 18.A N SER 15.A O no hydrogen 3.212 N/A ALA 19.A N PHE 16.A O no hydrogen 3.036 N/A LYS 22.A N PHE 18.A O no hydrogen 2.782 N/A LYS 22.A NZ.B LEU 35.A O no hydrogen 3.258 N/A LYS 22.A NZ.C ARG 32.A O no hydrogen 2.976 N/A LYS 22.A NZ.C LEU 35.A O no hydrogen 2.951 N/A SER 23.A N ALA 19.A O no hydrogen 2.996 N/A TYR 24.A N GLY 20.A O no hydrogen 2.873 N/A LEU 25.A N ILE 21.A O no hydrogen 2.894 N/A VAL 26.A N LYS 22.A O no hydrogen 2.944 N/A SER 27.A N SER 23.A O no hydrogen 3.033 N/A SER 27.A OG TYR 24.A O no hydrogen 2.637 N/A GLN 28.A N TYR 24.A O no hydrogen 3.055 N/A GLN 28.A N LEU 25.A O no hydrogen 2.953 N/A GLN 28.A NE2 SER 27.A OG no hydrogen 3.192 N/A GLY 29.A N VAL 26.A O no hydrogen 3.063 N/A TRP 30.A N LEU 25.A O no hydrogen 2.951 N/A LYS 34.A N SER 31.A O no hydrogen 2.977 N/A LYS 34.A NZ ASP 33.A O no hydrogen 3.294 N/A LEU 35.A N ARG 32.A O no hydrogen 3.298 N/A TYR 36.A N VAL 5.A O no hydrogen 2.856 N/A TYR 36.A OH GLU 64.A OE2.B no hydrogen 2.942 N/A VAL 38.A N MET 7.A O no hydrogen 3.082 N/A PHE 40.A N HIS 9.A NE2 no hydrogen 3.054 N/A THR 44.A N ASP 42.A OD1 no hydrogen 2.801 N/A THR 44.A OG1 ASP 42.A OD1 no hydrogen 2.660 N/A THR 44.A OG1 ASP 42.A OD2 no hydrogen 3.216 N/A GLY 45.A N ASP 42.A O no hydrogen 3.042 N/A THR 46.A N ASP 42.A OD2 no hydrogen 2.915 N/A THR 46.A OG1 ASP 42.A OD2 no hydrogen 3.340 N/A ASN 47.A ND2 THR 108.A OG1 no hydrogen 2.971 N/A ASN 49.A N THR 46.A OG1 no hydrogen 3.009 N/A ASN 49.A ND2 ASP 42.A OD2 no hydrogen 2.839 N/A ASN 50.A N THR 46.A O no hydrogen 2.907 N/A ASN 50.A ND2 ASN 81.A OD1 no hydrogen 2.932 N/A GLY 51.A N ASN 47.A O no hydrogen 2.792 N/A LEU 54.A N ASN 50.A O no hydrogen 2.894 N/A SER 55.A N GLY 51.A O no hydrogen 2.820 N/A SER 55.A OG ASP 90.A OD1 no hydrogen 2.590 N/A SER 55.A OG ASP 90.A OD2 no hydrogen 3.434 N/A ARG 56.A N PRO 52.A O no hydrogen 3.064 N/A PHE 57.A N VAL 53.A O no hydrogen 2.904 N/A VAL 58.A N LEU 54.A O no hydrogen 2.807 N/A GLN 59.A N SER 55.A O no hydrogen 3.007 N/A GLN 59.A NE2 GLN 59.A O no hydrogen 3.366 N/A GLN 59.A NE2 ASP 63.A OD1 no hydrogen 2.893 N/A LYS 60.A N ARG 56.A O no hydrogen 3.005 N/A LYS 60.A NZ GLU 64.A OE2.A no hydrogen 2.919 N/A VAL 61.A N PHE 57.A O no hydrogen 2.975 N/A LEU 62.A N VAL 58.A O no hydrogen 2.868 N/A ASP 63.A N GLN 59.A O no hydrogen 2.846 N/A GLU 64.A N LYS 60.A O no hydrogen 2.868 N/A THR 65.A N VAL 61.A O no hydrogen 2.886 N/A THR 65.A OG1 VAL 61.A O no hydrogen 2.762 N/A GLY 66.A N LEU 62.A O no hydrogen 2.881 N/A ALA 67.A N THR 65.A OG1 no hydrogen 3.145 N/A LYS 69.A NZ ASP 117.A OD2 no hydrogen 2.794 N/A VAL 70.A N LYS 94.A O no hydrogen 2.873 N/A ASP 71.A N PRO 4.A O no hydrogen 2.871 N/A ILE 72.A N ASN 97.A O no hydrogen 2.826 N/A VAL 73.A N VAL 6.A O no hydrogen 3.092 N/A ALA 74.A N VAL 99.A O no hydrogen 2.865 N/A HIS 75.A N VAL 8.A O no hydrogen 2.870 N/A HIS 75.A NE2 HIS 155.A O no hydrogen 3.047 N/A SER 76.A N LEU 101.A O no hydrogen 2.976 N/A SER 76.A OG.A HIS 155.A NE2 no hydrogen 2.653 N/A SER 76.A OG.B HIS 75.A ND1 no hydrogen 3.245 N/A SER 76.A OG.B HIS 75.A O no hydrogen 2.508 N/A GLY 78.A N HIS 75.A O no hydrogen 2.804 N/A GLY 79.A N SER 76.A O no hydrogen 2.930 N/A ASN 81.A N MET 77.A O no hydrogen 2.914 N/A ASN 81.A ND2 GLY 45.A O no hydrogen 3.205 N/A ASN 81.A ND2 ASN 47.A OD1 no hydrogen 2.869 N/A THR 82.A N GLY 78.A O no hydrogen 2.861 N/A THR 82.A OG1 GLY 78.A O no hydrogen 2.842 N/A LEU 83.A N GLY 79.A O no hydrogen 3.000 N/A TYR 84.A N ALA 80.A O no hydrogen 2.926 N/A TYR 85.A N ASN 81.A O no hydrogen 2.967 N/A ILE 86.A N THR 82.A O no hydrogen 3.057 N/A LYS 87.A N LEU 83.A O no hydrogen 2.789 N/A ASN 88.A N TYR 84.A O no hydrogen 2.770 N/A LEU 89.A N TYR 85.A O no hydrogen 3.209 N/A ASP 90.A N ASP 90.A OD1 no hydrogen 2.623 N/A GLY 91.A N TYR 85.A O no hydrogen 3.070 N/A LYS 94.A N GLY 91.A O no hydrogen 2.983 N/A LYS 94.A NZ GLN 59.A OE1 no hydrogen 2.754 N/A LYS 94.A NZ ASP 90.A OD2 no hydrogen 2.766 N/A ALA 96.A N VAL 70.A O no hydrogen 2.873 N/A ASN 97.A N ASP 71.A OD1 no hydrogen 2.932 N/A ASN 97.A ND2 ASP 71.A OD2 no hydrogen 3.258 N/A VAL 98.A N LEU 123.A O no hydrogen 2.811 N/A VAL 99.A N ILE 72.A O no hydrogen 2.732 N/A THR 100.A N THR 125.A O no hydrogen 2.945 N/A LEU 101.A N ALA 74.A O no hydrogen 2.761 N/A GLY 102.A N ILE 127.A O no hydrogen 2.878 N/A ALA 104.A N SER 76.A O no hydrogen 2.970 N/A ASN 105.A ND2 THR 100.A OG1 no hydrogen 3.021 N/A ASN 105.A ND2 SER 140.A O no hydrogen 3.052 N/A ARG 106.A N LEU 139.A O no hydrogen 2.931 N/A ARG 106.A NE ARG 141.A O no hydrogen 2.878 N/A ARG 106.A NH2 ARG 141.A O no hydrogen 2.969 N/A ARG 106.A NH2 ASP 143.A OD1 no hydrogen 2.947 N/A LEU 107.A N ALA 104.A O no hydrogen 3.171 N/A THR 108.A N ASN 105.A O no hydrogen 2.908 N/A THR 108.A OG1 ALA 80.A O no hydrogen 2.799 N/A THR 109.A N ASN 105.A O no hydrogen 3.203 N/A LYS 111.A N THR 109.A OG1 no hydrogen 3.091 N/A LYS 111.A NZ ALA 112.A O no hydrogen 2.983 N/A LYS 111.A NZ ASP 143.A O no hydrogen 3.191 N/A ALA 112.A N ASP 143.A O no hydrogen 2.951 N/A THR 116.A N GLY 92.A O no hydrogen 2.835 N/A ASN 119.A N ASP 117.A OD1 no hydrogen 2.876 N/A GLN 120.A N ASP 117.A O no hydrogen 3.312 N/A GLN 120.A NE2 LYS 121.A O no hydrogen 2.932 N/A LYS 121.A NZ ASN 178.A O no hydrogen 2.875 N/A ILE 122.A N PRO 114.A O no hydrogen 2.888 N/A LEU 123.A N ALA 96.A O no hydrogen 3.051 N/A TYR 124.A N GLN 177.A O no hydrogen 2.932 N/A TYR 124.A OH LEU 113.A O no hydrogen 2.694 N/A THR 125.A N VAL 98.A O no hydrogen 2.901 N/A SER 126.A N ARG 146.A O no hydrogen 2.793 N/A SER 126.A OG THR 100.A OG1 no hydrogen 3.428 N/A SER 126.A OG SER 140.A O no hydrogen 2.690 N/A ILE 127.A N THR 100.A O no hydrogen 2.902 N/A TYR 128.A N VAL 148.A O no hydrogen 3.013 N/A SER 129.A OG VAL 153.A O no hydrogen 2.625 N/A SER 130.A N ILE 150.A O no hydrogen 2.913 N/A ALA 131.A N SER 129.A OG no hydrogen 3.081 N/A ASP 132.A N SER 129.A O no hydrogen 2.970 N/A ILE 134.A N ASP 132.A OD1 no hydrogen 2.815 N/A VAL 135.A N ASP 132.A OD1 no hydrogen 2.858 N/A ASN 137.A ND2 SER 129.A O no hydrogen 2.954 N/A LEU 139.A N MET 136.A O no hydrogen 2.948 N/A SER 140.A N ASN 137.A O no hydrogen 2.919 N/A SER 140.A OG GLY 103.A O no hydrogen 2.720 N/A ARG 141.A N ASN 137.A O no hydrogen 3.235 N/A ARG 141.A NH1 TYR 128.A OH no hydrogen 2.894 N/A LEU 142.A N ASN 147.A OD1 no hydrogen 3.051 N/A ASP 143.A N GLY 110.A O no hydrogen 2.725 N/A ALA 145.A N LEU 142.A O no hydrogen 3.056 N/A ARG 146.A N TYR 124.A O no hydrogen 2.976 N/A ARG 146.A NH1 GLU 170.A OE2 no hydrogen 2.549 N/A ARG 146.A NH2 GLU 170.A OE2 no hydrogen 3.158 N/A ASN 147.A ND2 LEU 142.A O no hydrogen 3.002 N/A VAL 148.A N SER 126.A O no hydrogen 2.808 N/A GLN 149.A NE2 ASN 137.A OD1 no hydrogen 2.885 N/A ILE 150.A N TYR 128.A O no hydrogen 2.876 N/A VAL 153.A N SER 129.A OG no hydrogen 3.353 N/A HIS 155.A ND1 ASP 132.A OD2 no hydrogen 2.767 N/A HIS 155.A NE2 SER 76.A OG.A no hydrogen 2.653 N/A LEU 158.A N GLY 154.A O no hydrogen 2.937 N/A LEU 158.A N HIS 155.A O no hydrogen 3.321 N/A LEU 159.A N ILE 156.A O no hydrogen 3.094 N/A TYR 160.A N GLY 157.A O no hydrogen 2.946 N/A VAL 164.A N SER 161.A OG no hydrogen 3.104 N/A ASN 165.A N SER 161.A O no hydrogen 2.860 N/A SER 166.A N SER 162.A O no hydrogen 3.078 N/A SER 166.A OG SER 162.A O no hydrogen 3.261 N/A LEU 167.A N GLN 163.A O no hydrogen 3.128 N/A ILE 168.A N VAL 164.A O no hydrogen 2.800 N/A LYS 169.A N ASN 165.A O no hydrogen 3.032 N/A LYS 169.A NZ GLN 28.A OE1 no hydrogen 2.665 N/A GLU 170.A N SER 166.A O no hydrogen 3.057 N/A GLY 171.A N LEU 167.A O no hydrogen 2.981 N/A LEU 172.A N ILE 168.A O no hydrogen 2.793 N/A ASN 173.A N LYS 169.A O no hydrogen 3.003 N/A GLY 174.A N GLY 171.A O no hydrogen 2.891 N/A GLY 175.A N GLU 170.A O no hydrogen 2.784 N/A GLN 177.A N TYR 124.A O no hydrogen 2.982 N/A ASN 178.A ND2 ALA 112.A O no hydrogen 3.312 N/A THR 179.A N GLY 144.A O no hydrogen 2.833 N/A