Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ub8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A OH TYR 3.A OH no hydrogen 3.248 N/A TYR 5.A OH TYR 7.A OH no hydrogen 2.634 N/A TYR 7.A N ARG 51.A O no hydrogen 3.063 N/A TYR 7.A OH TYR 5.A OH no hydrogen 2.634 N/A TYR 9.A N LYS 53.A O no hydrogen 3.005 N/A LYS 10.A NZ TYR 72.A O no hydrogen 3.176 N/A LYS 10.A NZ ARG 74.A O no hydrogen 2.634 N/A ILE 11.A N GLN 55.A O no hydrogen 2.760 N/A VAL 12.A N GLY 78.A O no hydrogen 3.145 N/A LEU 13.A N TRP 57.A O no hydrogen 3.103 N/A ILE 14.A N LEU 80.A O no hydrogen 2.958 N/A VAL 19.A N ASP 16.A O no hydrogen 3.437 N/A LYS 21.A NZ GLU 63.A OE2 no hydrogen 2.697 N/A SER 22.A OG ASP 58.A OD1 no hydrogen 3.510 N/A SER 22.A OG ASP 58.A OD2 no hydrogen 2.731 N/A ASN 23.A ND2 ASN 34.A O no hydrogen 3.355 N/A LEU 24.A N GLY 20.A O no hydrogen 2.928 N/A LEU 25.A N LYS 21.A O no hydrogen 3.142 N/A SER 26.A N SER 22.A O no hydrogen 3.019 N/A SER 26.A OG SER 22.A O no hydrogen 3.442 N/A SER 26.A OG ASN 23.A O no hydrogen 3.212 N/A SER 26.A OG GLU 32.A O no hydrogen 2.699 N/A ARG 27.A N ASN 23.A O no hydrogen 3.013 N/A ARG 27.A NE ALA 147.A O no hydrogen 2.773 N/A ARG 27.A NH1 ASP 31.A OD1 no hydrogen 3.140 N/A ARG 27.A NH2 ALA 147.A O no hydrogen 3.054 N/A PHE 28.A N LEU 24.A O no hydrogen 3.119 N/A THR 29.A N LEU 25.A O no hydrogen 2.865 N/A THR 29.A OG1 LEU 25.A O no hydrogen 2.590 N/A ARG 30.A N SER 26.A O no hydrogen 2.972 N/A ARG 30.A NH2 GLU 32.A OE2 no hydrogen 3.199 N/A GLU 32.A N SER 26.A O no hydrogen 3.053 N/A ASN 34.A N ASN 23.A OD1 no hydrogen 2.898 N/A ASN 34.A ND2 GLU 32.A OE2 no hydrogen 3.446 N/A ALA 41.A N ILE 56.A O no hydrogen 3.026 N/A ARG 43.A N ALA 54.A O no hydrogen 3.126 N/A ARG 43.A NH1 PHE 28.A O no hydrogen 2.588 N/A LEU 45.A N VAL 52.A O no hydrogen 3.144 N/A ILE 47.A N LYS 50.A O no hydrogen 2.760 N/A LYS 50.A N ILE 47.A O no hydrogen 3.041 N/A ARG 51.A NH1 ASP 4.A OD1 no hydrogen 3.471 N/A VAL 52.A N LEU 45.A O no hydrogen 2.988 N/A LYS 53.A N TYR 7.A O no hydrogen 2.629 N/A ALA 54.A N ARG 43.A O no hydrogen 3.114 N/A GLN 55.A N TYR 9.A O no hydrogen 2.707 N/A ILE 56.A N ALA 41.A O no hydrogen 2.829 N/A TRP 57.A N ILE 11.A O no hydrogen 2.644 N/A TRP 57.A NE1 GLN 55.A OE1 no hydrogen 2.651 N/A ASP 58.A N GLU 39.A O no hydrogen 3.115 N/A THR 59.A OG1 GLU 63.A OE1 no hydrogen 2.823 N/A THR 59.A OG1 GLU 63.A OE2 no hydrogen 3.247 N/A GLY 61.A N THR 59.A OG1 no hydrogen 3.326 N/A GLN 62.A N GLN 62.A OE1 no hydrogen 2.530 N/A GLU 63.A N GLU 63.A OE1 no hydrogen 2.596 N/A ARG 64.A N GLY 61.A O no hydrogen 3.260 N/A TYR 65.A N GLN 62.A O no hydrogen 3.098 N/A ARG 66.A N GLN 62.A O no hydrogen 3.028 N/A ARG 66.A NH1 ALA 67.A O no hydrogen 2.974 N/A SER 70.A OG HIS 104.A ND1 no hydrogen 3.030 N/A TYR 72.A OH LEU 13.A O no hydrogen 2.823 N/A TYR 73.A N SER 70.A O no hydrogen 3.079 N/A ALA 76.A N TYR 73.A O no hydrogen 3.072 N/A VAL 77.A N LYS 10.A O no hydrogen 2.739 N/A GLY 78.A N LYS 10.A O no hydrogen 3.384 N/A ALA 79.A N ILE 110.A O no hydrogen 2.992 N/A LEU 80.A N VAL 12.A O no hydrogen 3.000 N/A ILE 81.A N GLU 112.A O no hydrogen 2.817 N/A VAL 82.A N ILE 14.A O no hydrogen 2.857 N/A TYR 83.A N VAL 114.A O no hydrogen 2.955 N/A ASP 84.A N SER 90.A OG no hydrogen 2.781 N/A ILE 85.A N ASN 116.A O no hydrogen 3.388 N/A ALA 86.A N ASP 84.A OD1 no hydrogen 2.916 N/A LYS 87.A N ASP 84.A O no hydrogen 2.940 N/A LYS 87.A NZ GLU 89.A OE1 no hydrogen 3.421 N/A SER 90.A OG LYS 87.A O no hydrogen 2.696 N/A GLU 92.A N THR 88.A O no hydrogen 2.865 N/A SER 93.A N GLU 89.A O no hydrogen 3.047 N/A SER 93.A OG ASP 16.A OD1 no hydrogen 2.651 N/A SER 93.A OG GLU 89.A O no hydrogen 3.077 N/A VAL 94.A N TYR 91.A O no hydrogen 3.165 N/A ARG 96.A NH1 SER 93.A OG no hydrogen 2.906 N/A TRP 97.A N SER 93.A O no hydrogen 3.044 N/A TRP 97.A NE1 ASP 16.A OD2 no hydrogen 2.797 N/A LEU 98.A N VAL 94.A O no hydrogen 2.875 N/A LYS 99.A N SER 95.A O no hydrogen 2.944 N/A LYS 99.A NZ GLU 100.A OE2 no hydrogen 2.840 N/A GLU 100.A N ARG 96.A O no hydrogen 2.904 N/A LEU 101.A N TRP 97.A O no hydrogen 3.019 N/A LYS 102.A N LEU 98.A O no hydrogen 3.073 N/A GLU 103.A N LYS 99.A O no hydrogen 2.966 N/A GLU 103.A N GLU 100.A O no hydrogen 3.214 N/A HIS 104.A N GLU 100.A O no hydrogen 2.938 N/A ALA 105.A N LEU 101.A O no hydrogen 2.901 N/A ASN 108.A N ASP 106.A OD1 no hydrogen 2.723 N/A ILE 109.A N ASP 106.A O no hydrogen 3.265 N/A ILE 110.A N VAL 77.A O no hydrogen 3.178 N/A GLU 112.A N ALA 79.A O no hydrogen 2.935 N/A LEU 113.A N LEU 141.A O no hydrogen 2.593 N/A VAL 114.A N ILE 81.A O no hydrogen 2.764 N/A GLY 115.A N THR 143.A O no hydrogen 2.919 N/A ASN 116.A N TYR 83.A O no hydrogen 2.954 N/A ASN 116.A ND2 VAL 19.A O no hydrogen 2.952 N/A LYS 117.A NZ GLY 18.A O no hydrogen 2.565 N/A LYS 117.A NZ ASP 84.A OD2 no hydrogen 3.228 N/A SER 118.A N ALA 145.A O no hydrogen 2.951 N/A LEU 120.A N LYS 117.A O no hydrogen 3.244 N/A LEU 123.A N LEU 120.A O no hydrogen 3.055 N/A ARG 124.A N ASP 121.A O no hydrogen 3.423 N/A ARG 124.A NE ASP 121.A OD1 no hydrogen 3.482 N/A ARG 124.A NH1 VAL 126.A O no hydrogen 2.829 N/A ARG 124.A NH1 GLU 144.A OE1 no hydrogen 3.001 N/A ARG 124.A NH2 GLU 144.A OE2 no hydrogen 2.923 N/A ALA 125.A N ILE 85.A O no hydrogen 2.805 N/A VAL 126.A N ILE 85.A O no hydrogen 3.010 N/A THR 128.A OG1 GLU 144.A OE1 no hydrogen 2.599 N/A GLU 130.A N PRO 127.A O no hydrogen 3.093 N/A ALA 131.A N PRO 127.A O no hydrogen 3.429 N/A LYS 132.A N THR 128.A O no hydrogen 2.887 N/A ASN 133.A N GLU 129.A O no hydrogen 2.961 N/A PHE 134.A N GLU 130.A O no hydrogen 2.982 N/A ALA 135.A N ALA 131.A O no hydrogen 2.857 N/A MET 136.A N LYS 132.A O no hydrogen 3.185 N/A GLU 137.A N ASN 133.A O no hydrogen 2.992 N/A ASN 138.A N PHE 134.A O no hydrogen 3.108 N/A ASN 138.A ND2 PHE 134.A O no hydrogen 3.175 N/A ASN 139.A N MET 136.A O no hydrogen 3.215 N/A LEU 140.A N ALA 135.A O no hydrogen 2.662 N/A LEU 141.A N ILE 111.A O no hydrogen 3.102 N/A THR 143.A N LEU 113.A O no hydrogen 3.176 N/A THR 143.A OG1 GLU 144.A O no hydrogen 2.912 N/A ALA 145.A N GLY 115.A O no hydrogen 2.794 N/A SER 146.A N ASP 151.A O no hydrogen 2.947 N/A SER 146.A OG ASP 119.A OD1 no hydrogen 2.686 N/A SER 146.A OG SER 149.A OG no hydrogen 3.079 N/A ALA 147.A N ASN 116.A OD1 no hydrogen 3.123 N/A SER 149.A N SER 146.A OG no hydrogen 3.088 N/A SER 149.A OG SER 146.A OG no hydrogen 3.079 N/A ASN 152.A ND2 GLU 144.A O no hydrogen 3.029 N/A SER 156.A N ASN 152.A O no hydrogen 2.860 N/A SER 156.A OG ASN 152.A O no hydrogen 3.349 N/A SER 156.A OG VAL 153.A O no hydrogen 2.474 N/A PHE 157.A N VAL 153.A O no hydrogen 3.365 N/A HIS 158.A N ASP 154.A O no hydrogen 2.836 N/A GLN 159.A N LEU 155.A O no hydrogen 2.843 N/A GLN 159.A NE2 GLU 112.A OE1 no hydrogen 3.512 N/A GLN 159.A NE2 PHE 142.A O no hydrogen 3.296 N/A LEU 161.A N PHE 157.A O no hydrogen 3.196 N/A LYS 162.A N HIS 158.A O no hydrogen 2.925 N/A LYS 162.A NZ ASP 48.A OD1 no hydrogen 2.754 N/A LYS 162.A NZ ASP 48.A OD2 no hydrogen 3.566 N/A LYS 162.A NZ GLU 166.A OE2 no hydrogen 3.488 N/A ASN 163.A N GLN 159.A O no hydrogen 3.054 N/A ILE 164.A N LEU 160.A O no hydrogen 2.856 N/A TYR 165.A N LEU 161.A O no hydrogen 2.998 N/A GLU 166.A N LYS 162.A O no hydrogen 3.082 N/A MET 167.A N ASN 163.A O no hydrogen 2.836 N/A ILE 168.A N ILE 164.A O no hydrogen 2.888 N/A SER 169.A N TYR 165.A O no hydrogen 2.900 N/A SER 169.A OG TYR 165.A O no hydrogen 2.965 N/A LYS 170.A N GLU 166.A O no hydrogen 2.715 N/A HIS 171.A N MET 167.A O no hydrogen 2.961 N/A GLN 172.A N SER 169.A O no hydrogen 2.660 N/A