Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2itb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 7.A N GLU 4.A O no hydrogen 2.990 N/A PHE 8.A N GLU 4.A O no hydrogen 3.030 N/A PHE 8.A N ILE 5.A O no hydrogen 3.107 N/A LEU 9.A N ILE 5.A O no hydrogen 3.132 N/A CYS 11.A SG PRO 12.A O no hydrogen 3.680 N/A THR 13.A N GLU 122.A OE2 no hydrogen 2.635 N/A THR 13.A OG1 GLU 122.A OE1 no hydrogen 2.542 N/A THR 13.A OG1 GLU 122.A OE2 no hydrogen 3.344 N/A TRP 17.A N PRO 14.A O no hydrogen 3.101 N/A TRP 17.A NE1 ARG 188.A O no hydrogen 3.251 N/A TRP 17.A NE1 SER 191.A OG no hydrogen 3.042 N/A ILE 18.A N PRO 14.A O no hydrogen 3.438 N/A GLU 19.A N ASP 15.A O no hydrogen 3.048 N/A ALA 20.A N ALA 16.A O no hydrogen 3.386 N/A ALA 21.A N TRP 17.A O no hydrogen 2.961 N/A LEU 22.A N ILE 18.A O no hydrogen 2.885 N/A ALA 23.A N GLU 19.A O no hydrogen 3.326 N/A ASP 24.A N ALA 21.A O no hydrogen 3.231 N/A GLN 25.A NE2 LEU 22.A O no hydrogen 3.099 N/A THR 27.A N ASP 24.A OD1 no hydrogen 3.380 N/A THR 27.A OG1 ASP 24.A OD1 no hydrogen 3.053 N/A THR 27.A OG1 ASP 24.A OD2 no hydrogen 2.813 N/A LEU 28.A N ASP 24.A O no hydrogen 3.254 N/A LEU 29.A N GLN 25.A O no hydrogen 2.938 N/A ILE 30.A N GLU 26.A O no hydrogen 3.199 N/A ASP 31.A N THR 27.A O no hydrogen 2.951 N/A HIS 32.A N LEU 28.A O no hydrogen 2.832 N/A HIS 32.A ND1 TYR 139.A OH no hydrogen 3.000 N/A HIS 32.A NE2 GLU 36.A OE2 no hydrogen 2.842 N/A LYS 33.A N LEU 29.A O no hydrogen 2.955 N/A LYS 33.A NZ ASN 34.A OD1 no hydrogen 3.095 N/A ASN 34.A N ILE 30.A O no hydrogen 2.967 N/A CYS 35.A N ASP 31.A O no hydrogen 2.687 N/A CYS 35.A SG ASP 31.A O no hydrogen 3.431 N/A CYS 35.A SG ASP 31.A OD2 no hydrogen 3.741 N/A CYS 35.A SG HIS 190.A ND1 no hydrogen 3.763 N/A GLU 36.A N HIS 32.A O no hydrogen 2.989 N/A PHE 37.A N LYS 33.A O no hydrogen 3.239 N/A LYS 38.A N ASN 34.A O no hydrogen 2.951 N/A ALA 39.A N CYS 35.A O no hydrogen 2.999 N/A ALA 40.A N GLU 36.A O no hydrogen 3.290 N/A SER 41.A N PHE 37.A O no hydrogen 2.874 N/A THR 42.A N LYS 38.A O no hydrogen 2.686 N/A THR 42.A OG1 LYS 38.A O no hydrogen 2.948 N/A ALA 43.A N ALA 39.A O no hydrogen 3.009 N/A LEU 44.A N ALA 40.A O no hydrogen 3.084 N/A SER 45.A N SER 41.A O no hydrogen 3.058 N/A SER 45.A OG SER 41.A O no hydrogen 3.413 N/A LEU 46.A N THR 42.A O no hydrogen 3.003 N/A ILE 47.A N ALA 43.A O no hydrogen 3.229 N/A ALA 48.A N LEU 44.A O no hydrogen 3.095 N/A LYS 49.A N SER 45.A O no hydrogen 3.069 N/A TYR 50.A N LEU 46.A O no hydrogen 2.861 N/A TYR 50.A OH GLU 102.A OE2 no hydrogen 2.495 N/A HIS 53.A N TYR 50.A O no hydrogen 3.203 N/A LEU 56.A N TYR 160.A OH no hydrogen 3.164 N/A ILE 57.A N HIS 53.A O no hydrogen 3.052 N/A ASN 58.A N LEU 54.A O no hydrogen 3.018 N/A ARG 60.A N ASN 58.A O no hydrogen 3.256 N/A ARG 63.A N SER 59.A O no hydrogen 3.179 N/A GLU 64.A N ARG 60.A O no hydrogen 3.008 N/A GLU 65.A N LEU 61.A O no hydrogen 2.723 N/A LEU 66.A N ALA 62.A O no hydrogen 2.953 N/A VAL 67.A N ARG 63.A O no hydrogen 3.108 N/A HIS 68.A N GLU 64.A O no hydrogen 3.095 N/A HIS 69.A N GLU 65.A O no hydrogen 2.920 N/A GLU 70.A N LEU 66.A O no hydrogen 2.931 N/A GLN 71.A N VAL 67.A O no hydrogen 2.787 N/A VAL 72.A N HIS 68.A O no hydrogen 2.915 N/A LEU 73.A N HIS 69.A O no hydrogen 2.979 N/A ARG 74.A N GLU 70.A O no hydrogen 2.965 N/A LEU 75.A N GLN 71.A O no hydrogen 3.151 N/A ARG 77.A N ARG 74.A O no hydrogen 3.080 N/A ARG 78.A N LEU 75.A O no hydrogen 2.958 N/A ARG 78.A NE GLU 134.A OE1 no hydrogen 3.125 N/A ARG 78.A NH1 ASP 132.A OD2 no hydrogen 3.250 N/A ARG 78.A NH2 ASP 132.A OD1 no hydrogen 2.903 N/A ARG 78.A NH2 ASP 132.A OD2 no hydrogen 2.843 N/A ARG 78.A NH2 GLU 134.A OE1 no hydrogen 3.119 N/A GLY 79.A N LYS 76.A O no hydrogen 3.041 N/A ARG 83.A NE GLU 26.A OE2 no hydrogen 3.423 N/A ARG 89.A NH1 PRO 183.A O no hydrogen 2.986 N/A ARG 89.A NH2 LEU 179.A O no hydrogen 2.818 N/A ARG 89.A NH2 SER 182.A O no hydrogen 3.516 N/A ARG 89.A NH2 PRO 183.A O no hydrogen 3.434 N/A TYR 90.A OH GLU 177.A OE2 no hydrogen 2.541 N/A SER 92.A OG ARG 89.A O no hydrogen 2.943 N/A GLY 93.A N ARG 89.A O no hydrogen 2.884 N/A LEU 94.A N TYR 90.A O no hydrogen 2.964 N/A ARG 95.A N ALA 91.A O no hydrogen 3.064 N/A ARG 96.A N SER 92.A O no hydrogen 3.207 N/A ARG 96.A N GLY 93.A O no hydrogen 3.311 N/A LEU 97.A N LEU 94.A O no hydrogen 3.073 N/A VAL 98.A N ARG 95.A O no hydrogen 3.093 N/A ARG 99.A N ASP 108.A OD2 no hydrogen 2.790 N/A ARG 99.A NE ASP 108.A OD1 no hydrogen 3.323 N/A ARG 99.A NE ASP 108.A OD2 no hydrogen 2.844 N/A ARG 99.A NH1 ASP 165.A OD1 no hydrogen 2.922 N/A ARG 99.A NH2 ASP 108.A OD1 no hydrogen 2.925 N/A ARG 99.A NH2 ASP 165.A OD1 no hydrogen 3.292 N/A ARG 99.A NH2 ASP 165.A OD2 no hydrogen 3.043 N/A LYS 105.A N HIS 101.A O no hydrogen 2.940 N/A LEU 106.A N GLU 102.A OE1 no hydrogen 3.202 N/A ASP 108.A N VAL 104.A O no hydrogen 3.016 N/A THR 109.A N LYS 105.A O no hydrogen 3.016 N/A THR 109.A OG1 LYS 105.A O no hydrogen 2.783 N/A LEU 110.A N LEU 106.A O no hydrogen 2.913 N/A VAL 111.A N VAL 107.A O no hydrogen 2.905 N/A VAL 112.A N ASP 108.A O no hydrogen 2.981 N/A GLY 113.A N THR 109.A O no hydrogen 3.306 N/A ALA 114.A N LEU 110.A O no hydrogen 3.076 N/A PHE 115.A N VAL 111.A O no hydrogen 2.974 N/A ILE 116.A N VAL 112.A O no hydrogen 2.916 N/A GLU 117.A N GLY 113.A O no hydrogen 3.024 N/A ALA 118.A N ALA 114.A O no hydrogen 2.758 N/A ARG 119.A N PHE 115.A O no hydrogen 2.781 N/A ARG 119.A NE GLU 177.A OE2 no hydrogen 2.936 N/A ARG 119.A NH1 CYS 11.A O no hydrogen 2.920 N/A ARG 119.A NH1 GLU 122.A OE1 no hydrogen 3.060 N/A ARG 119.A NH2 CYS 11.A O no hydrogen 3.002 N/A ARG 119.A NH2 GLU 177.A OE1 no hydrogen 2.859 N/A SER 120.A N ILE 116.A O no hydrogen 3.021 N/A SER 120.A OG ILE 116.A O no hydrogen 2.881 N/A SER 120.A OG HIS 190.A NE2 no hydrogen 2.877 N/A CYS 121.A N GLU 117.A O no hydrogen 3.036 N/A CYS 121.A SG LEU 143.A O no hydrogen 3.512 N/A GLU 122.A N ALA 118.A O no hydrogen 3.016 N/A ARG 123.A N ARG 119.A O no hydrogen 2.770 N/A ARG 123.A NE THR 13.A OG1 no hydrogen 2.978 N/A ARG 123.A NH1 PHE 189.A O no hydrogen 3.003 N/A ARG 123.A NH1 SER 191.A O no hydrogen 3.131 N/A PHE 124.A N SER 120.A O no hydrogen 2.840 N/A ALA 125.A N CYS 121.A O no hydrogen 3.014 N/A ALA 126.A N GLU 122.A O no hydrogen 2.965 N/A LEU 127.A N ARG 123.A O no hydrogen 3.134 N/A VAL 128.A N PHE 124.A O no hydrogen 3.092 N/A HIS 130.A N LEU 127.A O no hydrogen 2.840 N/A LEU 131.A N VAL 128.A O no hydrogen 3.359 N/A LEU 135.A N ASP 132.A OD1 no hydrogen 2.700 N/A GLY 136.A N ASP 132.A O no hydrogen 2.853 N/A ARG 137.A N GLU 133.A O no hydrogen 2.904 N/A PHE 138.A N GLU 134.A O no hydrogen 3.204 N/A TYR 139.A N LEU 135.A O no hydrogen 3.013 N/A TYR 139.A OH HIS 32.A ND1 no hydrogen 3.000 N/A HIS 140.A N GLY 136.A O no hydrogen 2.917 N/A GLY 141.A N ARG 137.A O no hydrogen 3.068 N/A LEU 142.A N PHE 138.A O no hydrogen 3.137 N/A LEU 143.A N HIS 140.A O no hydrogen 3.198 N/A GLU 146.A N LEU 142.A O no hydrogen 3.039 N/A ALA 147.A N LEU 143.A O no hydrogen 2.987 N/A ARG 148.A N LYS 144.A O no hydrogen 3.117 N/A HIS 149.A N SER 145.A O no hydrogen 2.774 N/A HIS 149.A NE2 GLU 64.A OE1 no hydrogen 2.599 N/A TYR 150.A N GLU 146.A O no hydrogen 2.930 N/A TYR 150.A OH PRO 3.A O no hydrogen 2.807 N/A GLN 151.A N ALA 147.A O no hydrogen 2.981 N/A GLY 152.A N ARG 148.A O no hydrogen 2.984 N/A TYR 153.A N HIS 149.A O no hydrogen 3.056 N/A LEU 154.A N TYR 150.A O no hydrogen 3.127 N/A LYS 155.A N GLN 151.A O no hydrogen 2.875 N/A LEU 156.A N GLY 152.A O no hydrogen 3.004 N/A ALA 157.A N TYR 153.A O no hydrogen 2.910 N/A HIS 158.A N LEU 154.A O no hydrogen 2.957 N/A HIS 158.A ND1 LEU 154.A O no hydrogen 2.964 N/A ASN 159.A N LYS 155.A O no hydrogen 2.948 N/A TYR 160.A N LEU 156.A O no hydrogen 3.006 N/A TYR 160.A N ALA 157.A O no hydrogen 3.202 N/A GLY 161.A N HIS 158.A O no hydrogen 3.493 N/A ILE 166.A N ASP 162.A O no hydrogen 2.889 N/A ALA 167.A N GLU 163.A O no hydrogen 2.982 N/A ARG 168.A N ALA 164.A O no hydrogen 2.997 N/A CYS 169.A N ASP 165.A O no hydrogen 2.968 N/A CYS 169.A SG ASP 108.A OD1 no hydrogen 3.250 N/A VAL 170.A N ILE 166.A O no hydrogen 2.918 N/A GLU 171.A N ALA 167.A O no hydrogen 3.054 N/A LEU 172.A N ARG 168.A O no hydrogen 2.907 N/A VAL 173.A N CYS 169.A O no hydrogen 2.795 N/A ARG 174.A N VAL 170.A O no hydrogen 2.843 N/A ARG 174.A NH1 PHE 8.A O no hydrogen 2.744 N/A ALA 175.A N GLU 171.A O no hydrogen 3.397 N/A ALA 176.A N LEU 172.A O no hydrogen 3.300 N/A GLU 177.A N VAL 173.A O no hydrogen 2.922 N/A LEU 179.A N ALA 176.A O no hydrogen 3.040 N/A ILE 180.A N GLU 177.A O no hydrogen 2.963 N/A SER 182.A N GLU 178.A O no hydrogen 2.942 N/A ASP 184.A N ILE 193.A O no hydrogen 2.704 N/A ARG 188.A N SER 191.A OG no hydrogen 2.980 N/A ARG 188.A NE SER 86.A O no hydrogen 2.701 N/A ARG 188.A NH1 LEU 187.A O no hydrogen 2.683 N/A ARG 188.A NH2 SER 86.A OG no hydrogen 3.062 N/A PHE 189.A N ASP 31.A OD2 no hydrogen 2.743 N/A HIS 190.A NE2 SER 120.A OG no hydrogen 2.877 N/A SER 191.A N ARG 188.A O no hydrogen 3.297 N/A SER 191.A OG GLU 186.A O no hydrogen 3.444 N/A SER 191.A OG ARG 188.A O no hydrogen 2.950 N/A SER 191.A OG GLY 192.A O no hydrogen 3.305 N/A GLY 192.A N ASP 184.A OD2 no hydrogen 3.072 N/A ILE 193.A N SER 182.A O no hydrogen 2.958 N/A GLN 195.A N ASP 184.A O no hydrogen 3.087 N/A