Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f78_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A ND2 ASP 102.A OD1 no hydrogen 2.953 N/A VAL 3.A N SER 38.A O no hydrogen 3.112 N/A ASP 4.A N THR 104.A O no hydrogen 2.919 N/A LEU 5.A N GLN 40.A O no hydrogen 2.956 N/A VAL 6.A N VAL 106.A O no hydrogen 2.861 N/A PHE 7.A N ALA 42.A O no hydrogen 2.933 N/A LEU 8.A N ILE 108.A O no hydrogen 2.859 N/A PHE 9.A N VAL 44.A O no hydrogen 2.929 N/A ASP 10.A N ILE 110.A O no hydrogen 2.934 N/A GLY 11.A N PHE 46.A O no hydrogen 2.757 N/A SER 12.A N ASP 10.A OD1 no hydrogen 2.877 N/A SER 12.A OG ASP 10.A OD1 no hydrogen 3.361 N/A SER 12.A OG SER 14.A OG.A no hydrogen 2.460 N/A MET 13.A N LEU 77.A O no hydrogen 2.919 N/A SER 14.A N SER 12.A OG no hydrogen 3.103 N/A SER 14.A OG.A SER 12.A OG no hydrogen 2.460 N/A SER 14.A OG.A ASP 112.A OD1 no hydrogen 2.684 N/A SER 14.A OG.A ASP 112.A OD2 no hydrogen 3.062 N/A SER 14.A OG.B ASP 112.A OD1 no hydrogen 3.476 N/A SER 14.A OG.B ASP 112.A OD2 no hydrogen 2.666 N/A LEU 15.A N SER 12.A O no hydrogen 3.294 N/A GLN 16.A N GLU 19.A OE1 no hydrogen 2.962 N/A GLN 16.A NE2 SER 14.A O no hydrogen 3.342 N/A PHE 20.A N GLN 16.A O no hydrogen 3.042 N/A GLN 21.A N PRO 17.A O no hydrogen 3.033 N/A GLN 21.A NE2 ASP 25.A OD1 no hydrogen 3.015 N/A LYS 22.A N ASP 18.A O no hydrogen 2.967 N/A LYS 22.A NZ ASP 18.A O no hydrogen 3.532 N/A LYS 22.A NZ ASP 18.A OD2 no hydrogen 2.892 N/A ILE 23.A N GLU 19.A O no hydrogen 3.058 N/A LEU 24.A N PHE 20.A O no hydrogen 3.068 N/A ASP 25.A N GLN 21.A O no hydrogen 2.891 N/A PHE 26.A N LYS 22.A O no hydrogen 2.984 N/A MET 27.A N ILE 23.A O no hydrogen 3.084 N/A LYS 28.A N LEU 24.A O no hydrogen 3.007 N/A LYS 28.A NZ ASP 66.A OD1 no hydrogen 3.079 N/A ASP 29.A N ASP 25.A O no hydrogen 2.840 N/A VAL 30.A N PHE 26.A O no hydrogen 2.841 N/A MET 31.A N MET 27.A O no hydrogen 3.043 N/A LYS 32.A N LYS 28.A O no hydrogen 2.913 N/A LYS 33.A N ASP 29.A O no hydrogen 2.984 N/A LEU 34.A N MET 31.A O no hydrogen 3.033 N/A SER 35.A N LYS 32.A O no hydrogen 3.436 N/A SER 35.A OG LYS 32.A O no hydrogen 3.197 N/A THR 37.A OG1 LEU 34.A O no hydrogen 2.599 N/A SER 38.A OG GLY 1.A O no hydrogen 2.656 N/A TYR 39.A N THR 37.A OG1 no hydrogen 3.238 N/A GLN 40.A N VAL 3.A O no hydrogen 3.017 N/A GLN 40.A NE2.B ASP 4.A OD1 no hydrogen 2.857 N/A GLN 40.A NE2.B GLY 98.A O no hydrogen 2.725 N/A ALA 42.A N LEU 5.A O no hydrogen 3.045 N/A ALA 43.A N PHE 54.A O no hydrogen 2.955 N/A VAL 44.A N PHE 7.A O no hydrogen 2.841 N/A GLN 45.A N LYS 51.A O no hydrogen 2.927 N/A GLN 45.A NE2 GLU 53.A OE2 no hydrogen 2.987 N/A GLN 45.A NE2 LYS 73.A O no hydrogen 2.932 N/A PHE 46.A N PHE 9.A O no hydrogen 2.941 N/A SER 47.A N SER 49.A O no hydrogen 2.999 N/A SER 47.A OG LEU 78.A O no hydrogen 2.644 N/A TYR 50.A OH ASN 80.A O no hydrogen 2.724 N/A LYS 51.A N GLN 45.A O no hydrogen 2.999 N/A LYS 51.A NZ.A GLU 53.A OE1 no hydrogen 2.786 N/A THR 52.A OG1 TYR 87.A OH no hydrogen 2.794 N/A GLU 53.A N ALA 43.A O no hydrogen 2.764 N/A PHE 54.A N ALA 43.A O no hydrogen 3.317 N/A ASP 55.A N ASP 58.A OD2 no hydrogen 2.875 N/A SER 57.A N LEU 97.A O no hydrogen 3.052 N/A SER 57.A OG ASP 55.A OD1.B no hydrogen 2.675 N/A ASP 58.A N ASP 55.A OD1.B no hydrogen 2.877 N/A TYR 59.A N ASP 55.A O no hydrogen 3.069 N/A VAL 60.A N PHE 56.A O no hydrogen 3.005 N/A LYS 61.A N SER 57.A O no hydrogen 2.954 N/A TRP 62.A N ASP 58.A O no hydrogen 2.982 N/A LYS 63.A N TYR 59.A O no hydrogen 2.777 N/A LYS 63.A NZ.A VAL 60.A O no hydrogen 2.733 N/A LYS 63.A NZ.B ASN 36.A OD1 no hydrogen 3.508 N/A LYS 63.A NZ.B TYR 59.A OH no hydrogen 2.685 N/A ALA 67.A N ASP 64.A OD1 no hydrogen 3.118 N/A LEU 68.A N ASP 64.A O no hydrogen 2.941 N/A LEU 69.A N PRO 65.A O no hydrogen 3.221 N/A LYS 70.A N ALA 67.A O no hydrogen 3.336 N/A VAL 72.A N LEU 69.A O no hydrogen 3.301 N/A LYS 73.A NZ VAL 72.A O no hydrogen 2.698 N/A HIS 74.A NE2 SER 12.A O no hydrogen 2.910 N/A MET 75.A N GLN 45.A OE1 no hydrogen 2.939 N/A LEU 76.A N GLY 11.A O no hydrogen 2.791 N/A LEU 77.A N SER 47.A OG no hydrogen 2.990 N/A LEU 78.A N THR 48.A OG1 no hydrogen 3.172 N/A THR 79.A N THR 116.A OG1 no hydrogen 2.932 N/A ASN 80.A N SER 47.A O no hydrogen 2.823 N/A ASN 80.A ND2 THR 48.A O no hydrogen 3.035 N/A THR 81.A N THR 79.A O no hydrogen 2.925 N/A THR 81.A OG1 THR 79.A O no hydrogen 3.324 N/A PHE 82.A N ASP 117.A OD1 no hydrogen 3.045 N/A GLY 83.A N ASP 117.A OD2 no hydrogen 2.935 N/A ALA 84.A N ASN 80.A O no hydrogen 3.119 N/A ILE 85.A N THR 81.A O no hydrogen 3.055 N/A ASN 86.A N PHE 82.A O no hydrogen 3.198 N/A ASN 86.A ND2 ASN 120.A O no hydrogen 2.873 N/A TYR 87.A N GLY 83.A O no hydrogen 2.820 N/A TYR 87.A OH THR 52.A OG1 no hydrogen 2.794 N/A VAL 88.A N ALA 84.A O no hydrogen 3.091 N/A ALA 89.A N ILE 85.A O no hydrogen 3.110 N/A THR 90.A N ASN 86.A O no hydrogen 2.974 N/A THR 90.A OG1 ASN 86.A O no hydrogen 3.159 N/A THR 90.A OG1 GLU 91.A OE2 no hydrogen 3.191 N/A GLU 91.A N TYR 87.A O no hydrogen 2.705 N/A VAL 92.A N VAL 88.A O no hydrogen 3.131 N/A PHE 93.A N VAL 88.A O no hydrogen 3.244 N/A ARG 94.A N VAL 92.A O no hydrogen 2.892 N/A GLU 96.A N GLU 96.A OE1 no hydrogen 2.691 N/A LEU 97.A N ARG 94.A O no hydrogen 2.917 N/A GLY 98.A N GLU 95.A O no hydrogen 3.033 N/A ALA 99.A N ARG 94.A O no hydrogen 3.166 N/A ARG 100.A N ASP 4.A OD2 no hydrogen 2.747 N/A ARG 100.A NE ASP 4.A OD1 no hydrogen 2.857 N/A ARG 100.A NH1 SER 38.A O no hydrogen 3.373 N/A ARG 100.A NH2 ASP 4.A OD1 no hydrogen 2.838 N/A ARG 100.A NH2 SER 38.A O no hydrogen 2.882 N/A ALA 103.A N ARG 100.A O no hydrogen 3.052 N/A THR 104.A N ASN 2.A O no hydrogen 2.951 N/A VAL 106.A N ASP 4.A O no hydrogen 2.950 N/A LEU 107.A N ILE 128.A O no hydrogen 2.802 N/A ILE 108.A N VAL 6.A O no hydrogen 2.892 N/A ILE 109.A N TYR 130.A O no hydrogen 2.857 N/A ILE 110.A N LEU 8.A O no hydrogen 2.846 N/A THR 111.A N ILE 132.A O no hydrogen 2.991 N/A THR 111.A OG1 ASP 10.A OD2 no hydrogen 2.806 N/A THR 111.A OG1 GLY 113.A O no hydrogen 3.184 N/A ASP 112.A N ASP 10.A OD2 no hydrogen 3.222 N/A GLY 113.A N THR 111.A OG1 no hydrogen 3.382 N/A THR 116.A N THR 79.A O no hydrogen 2.832 N/A THR 116.A OG1 ASN 80.A OD1 no hydrogen 2.732 N/A ASP 122.A N ASN 120.A OD1 no hydrogen 2.935 N/A ALA 124.A N ILE 121.A O no hydrogen 2.893 N/A LYS 125.A N ASP 122.A O no hydrogen 3.209 N/A LYS 125.A NZ.A ASP 122.A O no hydrogen 2.759 N/A ILE 127.A N ALA 124.A O no hydrogen 3.009 N/A ILE 128.A N LYS 105.A O no hydrogen 2.974 N/A ARG 129.A N SER 152.A OG no hydrogen 2.947 N/A ARG 129.A NE ALA 124.A O no hydrogen 3.220 N/A ARG 129.A NE ILE 127.A O no hydrogen 2.966 N/A ARG 129.A NH1 PHE 150.A O no hydrogen 3.000 N/A TYR 130.A N LEU 107.A O no hydrogen 2.891 N/A TYR 130.A OH GLU 157.A OE2 no hydrogen 2.776 N/A ILE 131.A N PHE 158.A O no hydrogen 2.897 N/A ILE 132.A N ILE 109.A O no hydrogen 2.782 N/A GLY 133.A N LYS 160.A O no hydrogen 2.844 N/A ILE 134.A N THR 111.A O no hydrogen 2.984 N/A GLY 135.A N LEU 162.A O no hydrogen 2.841 N/A LYS 136.A NZ HIS 137.A NE2 no hydrogen 3.514 N/A HIS 137.A ND1 ASP 112.A O no hydrogen 2.835 N/A PHE 138.A N GLY 135.A O no hydrogen 3.045 N/A GLN 139.A N LYS 136.A O no hydrogen 3.433 N/A THR 140.A OG1 SER 143.A OG no hydrogen 3.095 N/A LYS 141.A NZ GLU 145.A OE2 no hydrogen 2.682 N/A SER 143.A N THR 140.A OG1 no hydrogen 3.070 N/A SER 143.A OG HIS 137.A O no hydrogen 3.236 N/A SER 143.A OG THR 140.A O no hydrogen 2.741 N/A SER 143.A OG THR 140.A OG1 no hydrogen 3.095 N/A GLN 144.A N THR 140.A O no hydrogen 3.097 N/A GLN 144.A NE2 PHE 138.A O no hydrogen 2.807 N/A GLU 145.A N LYS 141.A O no hydrogen 2.947 N/A THR 146.A N GLU 142.A O no hydrogen 3.317 N/A THR 146.A N SER 143.A O no hydrogen 3.229 N/A THR 146.A OG1 SER 143.A O no hydrogen 2.675 N/A LEU 147.A N GLN 144.A O no hydrogen 3.068 N/A HIS 148.A N GLU 145.A O no hydrogen 3.106 N/A LYS 149.A NZ THR 146.A O no hydrogen 2.977 N/A PHE 150.A N LEU 147.A O no hydrogen 3.109 N/A ALA 151.A N HIS 148.A O no hydrogen 3.090 N/A SER 152.A N ARG 129.A O no hydrogen 2.966 N/A GLU 157.A N PRO 154.A O no hydrogen 2.908 N/A PHE 158.A N PRO 154.A O no hydrogen 3.070 N/A VAL 159.A N ALA 155.A O no hydrogen 2.845 N/A LYS 160.A N ILE 131.A O no hydrogen 2.801 N/A LYS 160.A NZ GLU 157.A O no hydrogen 2.805 N/A LYS 160.A NZ GLU 174.A OE1 no hydrogen 3.526 N/A LYS 160.A NZ GLU 174.A OE2 no hydrogen 2.631 N/A LEU 162.A N GLY 133.A O no hydrogen 2.893 N/A GLU 166.A N GLU 166.A OE1 no hydrogen 2.762 N/A LYS 167.A N THR 164.A O no hydrogen 3.187 N/A LYS 167.A NZ ASP 163.A OD1 no hydrogen 2.701 N/A LYS 167.A NZ ASP 163.A OD2 no hydrogen 3.451 N/A LEU 168.A N PHE 165.A O no hydrogen 3.225 N/A LYS 169.A NZ.B PHE 165.A O no hydrogen 2.808 N/A ASP 170.A N LYS 167.A O no hydrogen 2.936 N/A LEU 171.A N LEU 168.A O no hydrogen 3.082 N/A LEU 175.A N LEU 171.A O no hydrogen 2.986 N/A GLN 176.A N PHE 172.A O no hydrogen 2.953 N/A LYS 177.A N THR 173.A O no hydrogen 3.167 N/A LYS 177.A N GLU 174.A O no hydrogen 3.248 N/A LYS 178.A N LEU 175.A O no hydrogen 3.291 N/A LYS 178.A NZ GLU 157.A OE2 no hydrogen 2.724 N/A LYS 178.A NZ GLU 174.A OE2 no hydrogen 2.869 N/A