Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6whe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 3.A N ARG 53.A O no hydrogen 2.756 N/A TYR 4.A N ARG 53.A O no hydrogen 3.016 N/A TYR 4.A OH ASP 171.A OD1 no hydrogen 2.874 N/A PHE 6.A N LYS 55.A O no hydrogen 2.917 N/A LYS 7.A NZ TYR 74.A O no hydrogen 2.614 N/A LEU 8.A N GLN 57.A O no hydrogen 2.780 N/A LEU 9.A N GLY 80.A O no hydrogen 2.946 N/A LEU 10.A N TRP 59.A O no hydrogen 2.904 N/A ILE 11.A N MET 82.A O no hydrogen 2.906 N/A VAL 16.A N ASP 13.A O no hydrogen 3.452 N/A LYS 18.A NZ GLY 12.A O no hydrogen 2.882 N/A THR 19.A OG1 THR 37.A OG1 no hydrogen 2.786 N/A THR 19.A OG1 ASP 60.A OD1 no hydrogen 3.482 N/A THR 19.A OG1 ASP 60.A OD2 no hydrogen 2.556 N/A CYS 20.A SG ASN 31.A O no hydrogen 3.812 N/A VAL 21.A N GLY 17.A O no hydrogen 2.869 N/A LEU 22.A N LYS 18.A O no hydrogen 3.133 N/A PHE 23.A N THR 19.A O no hydrogen 2.851 N/A ARG 24.A N CYS 20.A O no hydrogen 2.941 N/A ARG 24.A NE ALA 149.A O no hydrogen 2.880 N/A ARG 24.A NH1 ASP 28.A OD1 no hydrogen 2.853 N/A ARG 24.A NH2 ALA 149.A O no hydrogen 3.302 N/A PHE 25.A N VAL 21.A O no hydrogen 2.991 N/A SER 26.A N LEU 22.A O no hydrogen 2.803 N/A SER 26.A OG LEU 22.A O no hydrogen 2.777 N/A SER 26.A OG GLU 27.A OE2 no hydrogen 2.829 N/A GLU 27.A N PHE 23.A O no hydrogen 2.800 N/A ASP 28.A N ARG 24.A O no hydrogen 2.826 N/A THR 37.A OG1 THR 19.A OG1 no hydrogen 2.786 N/A ILE 40.A N ILE 38.A O no hydrogen 3.074 N/A ASP 41.A N ASP 60.A O no hydrogen 3.014 N/A PHE 42.A N ASP 41.A OD1 no hydrogen 2.629 N/A LYS 43.A N ILE 58.A O no hydrogen 2.974 N/A LYS 43.A NZ ASP 41.A OD2 no hydrogen 3.555 N/A LYS 43.A NZ PHE 42.A O no hydrogen 3.513 N/A ARG 45.A N LEU 56.A O no hydrogen 3.052 N/A ARG 45.A NH1 PHE 25.A O no hydrogen 2.871 N/A ARG 45.A NH1 GLU 156.A OE1 no hydrogen 3.557 N/A ARG 45.A NH1 GLU 156.A OE2 no hydrogen 2.468 N/A ARG 45.A NH2 GLU 156.A OE1 no hydrogen 3.049 N/A ILE 47.A N ILE 54.A O no hydrogen 2.801 N/A LEU 49.A N LYS 52.A O no hydrogen 2.843 N/A LYS 52.A N LEU 49.A O no hydrogen 2.804 N/A ARG 53.A N ASP 3.A OD1 no hydrogen 2.690 N/A ARG 53.A NE ASP 3.A OD1 no hydrogen 3.419 N/A ILE 54.A N ILE 47.A O no hydrogen 2.705 N/A LYS 55.A N TYR 4.A O no hydrogen 2.777 N/A LEU 56.A N ARG 45.A O no hydrogen 2.804 N/A GLN 57.A N PHE 6.A O no hydrogen 2.999 N/A ILE 58.A N LYS 43.A O no hydrogen 2.917 N/A TRP 59.A N LEU 8.A O no hydrogen 2.702 N/A TRP 59.A NE1 GLN 57.A OE1 no hydrogen 2.997 N/A ASP 60.A N ASP 41.A O no hydrogen 2.730 N/A THR 61.A N LEU 10.A O no hydrogen 3.270 N/A THR 61.A OG1 LEU 10.A O no hydrogen 2.581 N/A PHE 67.A N LEU 64.A O no hydrogen 3.129 N/A ARG 68.A N GLU 65.A O no hydrogen 3.228 N/A ILE 70.A N PHE 67.A O no hydrogen 3.036 N/A THR 71.A N PHE 67.A O no hydrogen 3.126 N/A THR 71.A OG1 PHE 67.A O no hydrogen 3.468 N/A THR 72.A N ARG 68.A O no hydrogen 2.881 N/A THR 72.A OG1 ARG 68.A O no hydrogen 2.849 N/A ALA 73.A N GLU 69.A O no hydrogen 3.403 N/A TYR 74.A N THR 71.A O no hydrogen 3.067 N/A TYR 75.A N THR 72.A O no hydrogen 3.052 N/A ALA 78.A N TYR 75.A O no hydrogen 3.152 N/A MET 79.A N LYS 7.A O no hydrogen 2.853 N/A GLY 80.A N LYS 7.A O no hydrogen 3.395 N/A ILE 81.A N GLU 112.A O no hydrogen 2.772 N/A MET 82.A N LEU 9.A O no hydrogen 2.798 N/A LEU 83.A N MET 114.A O no hydrogen 2.759 N/A VAL 84.A N ILE 11.A O no hydrogen 2.880 N/A TYR 85.A N LEU 116.A O no hydrogen 2.931 N/A ASP 86.A N SER 92.A OG no hydrogen 2.973 N/A ILE 87.A N ASN 118.A O no hydrogen 2.984 N/A THR 88.A N ASP 86.A OD1 no hydrogen 2.800 N/A THR 88.A OG1 ASP 86.A OD1 no hydrogen 2.669 N/A THR 88.A OG1 ASP 86.A OD2 no hydrogen 3.148 N/A ASN 89.A N ASP 86.A O no hydrogen 2.821 N/A SER 92.A N ASN 89.A O no hydrogen 3.153 N/A SER 92.A N ASN 89.A OD1 no hydrogen 2.794 N/A SER 92.A OG ASN 89.A O no hydrogen 2.756 N/A ASP 94.A N GLU 90.A O no hydrogen 2.826 N/A ASN 95.A N LYS 91.A O no hydrogen 2.973 N/A ASN 95.A ND2 ASP 13.A OD1 no hydrogen 3.544 N/A ASN 95.A ND2 ASP 13.A OD2 no hydrogen 2.756 N/A ILE 96.A N PHE 93.A O no hydrogen 3.045 N/A ARG 97.A N ASP 94.A O no hydrogen 3.360 N/A ASN 98.A ND2 ASN 95.A OD1 no hydrogen 3.079 N/A TRP 99.A N ASN 95.A O no hydrogen 2.880 N/A TRP 99.A NE1 ASP 13.A OD1 no hydrogen 2.887 N/A ILE 100.A N ILE 96.A O no hydrogen 2.908 N/A ARG 101.A N ARG 97.A O no hydrogen 3.257 N/A ASN 102.A N ASN 98.A O no hydrogen 3.011 N/A ILE 103.A N TRP 99.A O no hydrogen 2.885 N/A GLU 104.A N ILE 100.A O no hydrogen 2.991 N/A GLU 105.A N ARG 101.A O no hydrogen 2.972 N/A HIS 106.A N ILE 103.A O no hydrogen 3.064 N/A ALA 107.A N ILE 103.A O no hydrogen 2.745 N/A VAL 111.A N SER 108.A O no hydrogen 3.043 N/A GLU 112.A N MET 79.A O no hydrogen 3.050 N/A LYS 113.A NZ GLU 104.A OE2 no hydrogen 2.744 N/A MET 114.A N ILE 81.A O no hydrogen 3.052 N/A ILE 115.A N LYS 143.A O no hydrogen 2.977 N/A LEU 116.A N LEU 83.A O no hydrogen 2.825 N/A GLY 117.A N MET 145.A O no hydrogen 2.788 N/A ASN 118.A N TYR 85.A O no hydrogen 2.766 N/A ASN 118.A ND2 VAL 16.A O no hydrogen 2.996 N/A LYS 119.A NZ GLY 15.A O no hydrogen 2.890 N/A LYS 119.A NZ ASP 86.A OD2 no hydrogen 2.981 N/A CYS 120.A N THR 147.A O no hydrogen 2.973 N/A VAL 122.A N LYS 119.A O no hydrogen 3.063 N/A LYS 125.A N VAL 122.A O no hydrogen 3.098 N/A ARG 126.A N ASN 123.A O no hydrogen 3.298 N/A ARG 126.A NE ASN 123.A OD1 no hydrogen 3.526 N/A ARG 126.A NH1 ASN 123.A OD1 no hydrogen 3.331 N/A ARG 126.A NH1 GLU 146.A OE1 no hydrogen 2.918 N/A ARG 126.A NH2 VAL 128.A O no hydrogen 2.846 N/A ARG 126.A NH2 GLU 146.A OE2 no hydrogen 2.757 N/A GLN 127.A N ILE 87.A O no hydrogen 2.753 N/A VAL 128.A N ILE 87.A O no hydrogen 2.977 N/A GLU 131.A N GLU 131.A OE1 no hydrogen 2.639 N/A ARG 132.A N SER 129.A OG no hydrogen 3.143 N/A ARG 132.A NH1 GLU 90.A OE1 no hydrogen 2.942 N/A ARG 132.A NH2 GLU 90.A OE2 no hydrogen 3.004 N/A GLY 133.A N SER 129.A O no hydrogen 3.151 N/A GLU 134.A N LYS 130.A O no hydrogen 2.906 N/A LYS 135.A N GLU 131.A O no hydrogen 2.943 N/A LYS 135.A NZ ASP 139.A OD1 no hydrogen 3.039 N/A LYS 135.A NZ ASP 139.A OD2 no hydrogen 3.490 N/A LEU 136.A N ARG 132.A O no hydrogen 3.040 N/A ALA 137.A N GLY 133.A O no hydrogen 3.114 N/A LEU 138.A N GLU 134.A O no hydrogen 2.865 N/A ASP 139.A N LYS 135.A O no hydrogen 2.823 N/A TYR 140.A N LEU 136.A O no hydrogen 3.158 N/A GLY 141.A N LEU 138.A O no hydrogen 3.024 N/A ILE 142.A N ALA 137.A O no hydrogen 2.887 N/A LYS 143.A NZ ASP 165.A OD1 no hydrogen 3.091 N/A LYS 143.A NZ ASP 165.A OD2 no hydrogen 2.787 N/A MET 145.A N ILE 115.A O no hydrogen 3.079 N/A THR 147.A N GLY 117.A O no hydrogen 2.871 N/A THR 147.A OG1 ASN 118.A OD1 no hydrogen 2.877 N/A SER 148.A N ILE 153.A O no hydrogen 2.946 N/A SER 148.A OG ASP 121.A OD1 no hydrogen 2.667 N/A ALA 151.A N SER 148.A OG no hydrogen 2.992 N/A ILE 153.A N SER 148.A O no hydrogen 2.912 N/A ASN 154.A ND2 GLU 146.A O no hydrogen 2.911 N/A ALA 158.A N ASN 154.A O no hydrogen 2.897 N/A PHE 159.A N VAL 155.A O no hydrogen 3.336 N/A PHE 160.A N GLU 156.A O no hydrogen 2.930 N/A THR 161.A N ASN 157.A O no hydrogen 2.902 N/A THR 161.A OG1 ASN 157.A O no hydrogen 2.725 N/A LEU 162.A N ALA 158.A O no hydrogen 2.941 N/A ALA 163.A N PHE 159.A O no hydrogen 2.921 N/A ARG 164.A N PHE 160.A O no hydrogen 2.878 N/A ARG 164.A NH1 ASP 50.A OD1 no hydrogen 3.330 N/A ARG 164.A NH1 ASP 50.A OD2 no hydrogen 3.271 N/A ASP 165.A N THR 161.A O no hydrogen 2.922 N/A ILE 166.A N LEU 162.A O no hydrogen 2.957 N/A LYS 167.A N ALA 163.A O no hydrogen 2.840 N/A LYS 167.A NZ ASP 171.A OD2 no hydrogen 2.559 N/A ALA 168.A N ARG 164.A O no hydrogen 2.795 N/A LYS 169.A N ASP 165.A O no hydrogen 3.060 N/A LYS 169.A NZ ASP 110.A O no hydrogen 2.242 N/A LYS 169.A NZ GLU 112.A OE2 no hydrogen 3.154 N/A MET 170.A N ILE 166.A O no hydrogen 2.938 N/A ASP 171.A N LYS 167.A O no hydrogen 2.705 N/A LYS 172.A N LYS 169.A O no hydrogen 3.376 N/A