Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3it4_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 SER 39.A OG no hydrogen 2.796 N/A MET 2.A N ASP 42.A OD1 no hydrogen 2.890 N/A CYS 4.A N THR 43.A O no hydrogen 2.994 N/A LEU 6.A N LEU 45.A O no hydrogen 2.853 N/A THR 8.A N LEU 47.A O no hydrogen 2.845 N/A ALA 10.A N THR 8.A OG1 no hydrogen 3.188 N/A ALA 11.A N ILE 54.A O no hydrogen 2.767 N/A ALA 16.A N GLU 13.A O no hydrogen 2.886 N/A LEU 17.A N GLU 13.A O no hydrogen 3.200 N/A GLU 18.A N PRO 14.A O no hydrogen 2.790 N/A ARG 19.A N ALA 15.A O no hydrogen 3.069 N/A ARG 19.A NE ASP 62.A OD2 no hydrogen 2.998 N/A ARG 19.A NH2 ASP 62.A OD2 no hydrogen 3.273 N/A ALA 20.A N ALA 16.A O no hydrogen 3.072 N/A LEU 21.A N LEU 17.A O no hydrogen 2.899 N/A ARG 22.A N GLU 18.A O no hydrogen 2.917 N/A ARG 22.A NE GLU 18.A OE2 no hydrogen 2.849 N/A ARG 22.A NH2 GLU 18.A OE2 no hydrogen 2.987 N/A ARG 23.A N ARG 19.A O no hydrogen 3.048 N/A ARG 23.A NH1 ASP 62.A OD2 no hydrogen 3.217 N/A ALA 24.A N ALA 20.A O no hydrogen 3.039 N/A ALA 25.A N LEU 21.A O no hydrogen 2.808 N/A ALA 26.A N ARG 22.A O no hydrogen 3.152 N/A ALA 27.A N ALA 24.A O no hydrogen 3.112 N/A THR 28.A OG1 ALA 24.A O no hydrogen 2.773 N/A PHE 29.A N THR 28.A OG1 no hydrogen 2.742 N/A ASP 30.A N ALA 25.A O no hydrogen 2.844 N/A ARG 31.A N THR 28.A O no hydrogen 2.898 N/A ARG 31.A NE ALA 26.A O no hydrogen 3.295 N/A ARG 31.A NH2 GLU 97.A OE2 no hydrogen 3.257 N/A LEU 32.A N PHE 29.A O no hydrogen 3.209 N/A ASP 33.A N ARG 188.A O no hydrogen 2.800 N/A SER 39.A OG THR 1.A OG1 no hydrogen 2.796 N/A SER 39.A OG ASP 42.A OD1 no hydrogen 3.090 N/A ASN 41.A N SER 39.A OG no hydrogen 2.913 N/A ASN 41.A ND2 THR 40.A OG1 no hydrogen 2.694 N/A THR 43.A N MET 2.A O no hydrogen 3.257 N/A THR 43.A OG1 ASN 41.A O no hydrogen 3.058 N/A LEU 45.A N CYS 4.A O no hydrogen 3.109 N/A LEU 47.A N LEU 6.A O no hydrogen 2.895 N/A SER 48.A OG ALA 10.A O no hydrogen 2.578 N/A SER 49.A N THR 8.A O no hydrogen 2.951 N/A SER 49.A OG THR 8.A O no hydrogen 3.532 N/A ALA 51.A N SER 49.A OG no hydrogen 3.349 N/A SER 52.A N ASP 9.A O no hydrogen 2.863 N/A SER 52.A OG ASP 9.A O no hydrogen 2.828 N/A GLU 53.A N GLY 50.A O no hydrogen 2.874 N/A ILE 54.A N SER 52.A OG no hydrogen 2.946 N/A GLN 58.A NE2 ALA 16.A O no hydrogen 3.071 N/A GLN 58.A NE2 GLN 58.A O no hydrogen 3.659 N/A GLN 58.A NE2 ASP 62.A OD1 no hydrogen 2.884 N/A LEU 61.A N ALA 57.A O no hydrogen 3.026 N/A ASP 62.A N GLN 58.A O no hydrogen 2.842 N/A GLU 63.A N ALA 59.A O no hydrogen 3.049 N/A ALA 64.A N ASP 60.A O no hydrogen 3.090 N/A VAL 65.A N LEU 61.A O no hydrogen 3.057 N/A LEU 66.A N ASP 62.A O no hydrogen 2.824 N/A ARG 67.A N GLU 63.A O no hydrogen 2.864 N/A VAL 68.A N ALA 64.A O no hydrogen 3.033 N/A CYS 69.A N VAL 65.A O no hydrogen 2.937 N/A CYS 69.A SG VAL 65.A O no hydrogen 3.377 N/A ASP 70.A N LEU 66.A O no hydrogen 2.872 N/A ASP 71.A N ARG 67.A O no hydrogen 2.980 N/A LEU 72.A N VAL 68.A O no hydrogen 2.997 N/A CYS 73.A N CYS 69.A O no hydrogen 2.921 N/A CYS 73.A SG CYS 69.A O no hydrogen 3.452 N/A ALA 74.A N ASP 70.A O no hydrogen 3.049 N/A GLN 75.A N ASP 71.A O no hydrogen 2.989 N/A GLN 75.A NE2 ASP 71.A OD2 no hydrogen 2.986 N/A LEU 76.A N LEU 72.A O no hydrogen 2.854 N/A GLN 77.A N CYS 73.A O no hydrogen 2.958 N/A GLN 77.A NE2 THR 189.A O no hydrogen 2.909 N/A ALA 78.A N ALA 74.A O no hydrogen 3.017 N/A ASP 79.A N GLN 75.A O no hydrogen 3.181 N/A ASP 79.A N LEU 76.A O no hydrogen 3.256 N/A ALA 80.A N GLN 77.A O no hydrogen 3.242 N/A VAL 83.A N ALA 80.A O no hydrogen 3.085 N/A THR 84.A N ASP 191.A OD1 no hydrogen 2.981 N/A THR 84.A OG1 ASP 191.A OD2 no hydrogen 2.553 N/A LYS 85.A N ASP 191.A OD1 no hydrogen 2.891 N/A LYS 85.A NZ SER 120.A OG no hydrogen 2.746 N/A LYS 85.A NZ LEU 167.A O no hydrogen 2.819 N/A LYS 85.A NZ ASP 169.A O no hydrogen 3.079 N/A ARG 86.A N ALA 170.A O no hydrogen 2.830 N/A ARG 86.A NE ASP 171.A OD1 no hydrogen 2.941 N/A ARG 86.A NH2 ASP 171.A OD1 no hydrogen 3.292 N/A ARG 86.A NH2 ASP 171.A OD2 no hydrogen 2.940 N/A VAL 87.A N THR 189.A O no hydrogen 3.032 N/A THR 88.A N ILE 172.A O no hydrogen 2.901 N/A VAL 89.A N ILE 187.A O no hydrogen 2.883 N/A THR 90.A N ILE 174.A O no hydrogen 2.779 N/A VAL 91.A N ALA 185.A O no hydrogen 2.883 N/A THR 92.A N VAL 176.A O no hydrogen 2.844 N/A THR 92.A OG1 ASP 177.A OD2 no hydrogen 2.651 N/A ALA 94.A N GLY 183.A O no hydrogen 3.012 N/A ASP 99.A N THR 96.A OG1 no hydrogen 2.797 N/A ALA 100.A N THR 96.A O no hydrogen 3.176 N/A LEU 101.A N GLU 97.A O no hydrogen 3.095 N/A VAL 102.A N ASP 98.A O no hydrogen 2.924 N/A ALA 103.A N ASP 99.A O no hydrogen 2.906 N/A ALA 104.A N ALA 100.A O no hydrogen 2.920 N/A ARG 105.A N LEU 101.A O no hydrogen 2.952 N/A ARG 105.A NH1 ASP 33.A OD2 no hydrogen 2.960 N/A ARG 105.A NH2 ASP 30.A O no hydrogen 2.776 N/A GLN 106.A N VAL 102.A O no hydrogen 2.981 N/A ILE 107.A N ALA 103.A O no hydrogen 3.066 N/A ALA 108.A N ALA 104.A O no hydrogen 2.948 N/A ARG 109.A N ARG 105.A O no hydrogen 3.020 N/A ARG 109.A NE ASP 33.A OD2 no hydrogen 2.630 N/A ARG 109.A NH2 ASP 33.A OD2 no hydrogen 3.091 N/A ASP 110.A N ILE 107.A O no hydrogen 3.172 N/A VAL 113.A N ASP 110.A OD2 no hydrogen 2.804 N/A LYS 114.A N ASP 110.A O no hydrogen 2.901 N/A LYS 114.A NZ ILE 34.A O no hydrogen 2.907 N/A LYS 114.A NZ ALA 108.A O no hydrogen 2.823 N/A LYS 114.A NZ THR 190.A O no hydrogen 2.958 N/A THR 115.A N SER 111.A O no hydrogen 2.961 N/A THR 115.A OG1 SER 111.A O no hydrogen 2.909 N/A THR 115.A OG1 LEU 112.A O no hydrogen 3.237 N/A ALA 116.A N LEU 112.A O no hydrogen 2.965 N/A LEU 117.A N VAL 113.A O no hydrogen 2.996 N/A PHE 118.A N LYS 114.A O no hydrogen 3.133 N/A GLY 119.A N THR 115.A O no hydrogen 3.136 N/A SER 120.A N LEU 117.A O no hydrogen 2.980 N/A SER 120.A OG LEU 167.A O no hydrogen 3.248 N/A ASP 121.A N ALA 116.A O no hydrogen 2.915 N/A ASN 123.A N ASP 121.A O no hydrogen 2.753 N/A TRP 124.A N PRO 122.A O no hydrogen 2.888 N/A ARG 126.A N ASN 123.A O no hydrogen 2.984 N/A ARG 126.A NH1 LEU 112.A O no hydrogen 2.975 N/A LEU 128.A N TRP 124.A O no hydrogen 3.154 N/A ALA 129.A N GLY 125.A O no hydrogen 2.909 N/A ALA 130.A N ARG 126.A O no hydrogen 3.066 N/A VAL 131.A N VAL 127.A O no hydrogen 2.961 N/A GLY 132.A N LEU 128.A O no hydrogen 3.015 N/A MET 133.A N ALA 130.A O no hydrogen 3.011 N/A ALA 134.A N VAL 131.A O no hydrogen 3.048 N/A ILE 136.A N ALA 134.A O no hydrogen 2.780 N/A THR 137.A N ASP 99.A OD2 no hydrogen 3.211 N/A ASP 141.A N ASP 139.A OD1 no hydrogen 2.865 N/A ARG 142.A N ASP 139.A O no hydrogen 3.001 N/A ARG 142.A NE GLY 179.A O no hydrogen 2.743 N/A ARG 142.A NH2 GLY 179.A O no hydrogen 3.379 N/A SER 144.A N ASP 177.A O no hydrogen 2.912 N/A VAL 145.A N CYS 153.A O no hydrogen 2.950 N/A SER 146.A N THR 175.A O no hydrogen 2.863 N/A PHE 147.A N ALA 150.A O no hydrogen 2.838 N/A ASN 148.A N ASP 173.A O no hydrogen 2.806 N/A ALA 150.A N PHE 147.A O no hydrogen 2.990 N/A VAL 152.A N VAL 145.A O no hydrogen 2.850 N/A CYS 153.A N VAL 145.A O no hydrogen 3.131 N/A CYS 153.A SG ILE 143.A O no hydrogen 3.599 N/A CYS 153.A SG VAL 157.A O no hydrogen 3.522 N/A VAL 154.A N VAL 157.A O no hydrogen 2.733 N/A GLY 156.A N ILE 143.A O no hydrogen 2.809 N/A VAL 157.A N VAL 154.A O no hydrogen 2.909 N/A ALA 159.A N VAL 152.A O no hydrogen 2.958 N/A ALA 162.A N ALA 159.A O no hydrogen 3.120 N/A GLU 164.A N GLY 161.A O no hydrogen 2.955 N/A VAL 165.A N ALA 162.A O no hydrogen 3.192 N/A SER 168.A N ASP 166.A OD1 no hydrogen 3.009 N/A SER 168.A OG ASP 166.A OD1 no hydrogen 2.675 N/A ILE 172.A N ARG 86.A O no hydrogen 2.964 N/A ASP 173.A N ASN 148.A OD1 no hydrogen 2.879 N/A ILE 174.A N THR 88.A O no hydrogen 2.882 N/A THR 175.A N SER 146.A O no hydrogen 3.029 N/A THR 175.A OG1 ASP 173.A OD2 no hydrogen 2.889 N/A VAL 176.A N THR 90.A O no hydrogen 2.809 N/A ASP 177.A N SER 144.A O no hydrogen 2.720 N/A LEU 178.A N THR 92.A O no hydrogen 2.928 N/A GLY 179.A N ASP 177.A OD1 no hydrogen 3.045 N/A VAL 180.A N GLY 93.A O no hydrogen 2.811 N/A GLY 183.A N ALA 94.A O no hydrogen 2.849 N/A ALA 185.A N VAL 91.A O no hydrogen 2.947 N/A ARG 186.A NE THR 90.A OG1 no hydrogen 2.993 N/A ILE 187.A N VAL 89.A O no hydrogen 2.796 N/A ARG 188.A N ARG 31.A O no hydrogen 2.967 N/A ARG 188.A NH1 ASP 70.A OD1 no hydrogen 2.825 N/A ARG 188.A NH2 ASP 70.A OD1 no hydrogen 2.986 N/A ARG 188.A NH2 ASP 70.A OD2 no hydrogen 3.452 N/A THR 189.A N VAL 87.A O no hydrogen 2.762 N/A THR 189.A OG1 ASP 33.A O no hydrogen 2.518 N/A THR 189.A OG1 ALA 108.A O no hydrogen 3.564 N/A THR 190.A OG1 ASP 191.A O no hydrogen 3.460 N/A LEU 192.A N LYS 114.A O no hydrogen 3.189 N/A SER 193.A OG GLY 82.A O no hydrogen 2.571 N/A TYR 196.A N SER 193.A OG no hydrogen 3.021 N/A TYR 196.A OH ASP 35.A OD2 no hydrogen 2.720 N/A VAL 197.A N SER 193.A O no hydrogen 3.272 N/A GLU 198.A N HIS 194.A O no hydrogen 2.805 N/A GLU 199.A N ALA 195.A O no hydrogen 2.955 N/A ASN 200.A N TYR 196.A O no hydrogen 3.108 N/A ASN 200.A ND2 GLU 81.A OE1 no hydrogen 3.376 N/A SER 201.A N GLU 198.A O no hydrogen 3.399 N/A SER 201.A OG VAL 197.A O no hydrogen 2.680 N/A