Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kev_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 2.A N ASP 71.A OD2 no hydrogen 2.827 N/A LYS 4.A N ASP 2.A OD1 no hydrogen 2.886 N/A ILE 6.A N ASP 2.A O no hydrogen 3.053 N/A LEU 7.A N LYS 3.A O no hydrogen 2.820 N/A GLU 8.A N.A LYS 4.A O no hydrogen 3.020 N/A GLU 8.A N.B LYS 4.A O no hydrogen 3.032 N/A LEU 9.A N ALA 5.A O no hydrogen 3.032 N/A PHE 10.A N ILE 6.A O no hydrogen 2.906 N/A GLN 11.A N.A LEU 7.A O no hydrogen 2.918 N/A GLN 11.A N.B LEU 7.A O no hydrogen 2.923 N/A THR 12.A N GLU 8.A O.A no hydrogen 3.201 N/A THR 12.A N GLU 8.A O.B no hydrogen 3.202 N/A THR 12.A OG1 GLU 8.A O.A no hydrogen 2.990 N/A THR 12.A OG1 GLU 8.A O.B no hydrogen 2.989 N/A TYR 13.A N LEU 9.A O no hydrogen 3.301 N/A TYR 13.A N PHE 10.A O no hydrogen 3.132 N/A TYR 13.A OH ASP 32.A OD2 no hydrogen 2.594 N/A LYS 14.A N PHE 10.A O no hydrogen 2.914 N/A GLU 15.A N TYR 20.A O no hydrogen 2.920 N/A GLY 18.A N GLU 15.A O no hydrogen 2.856 N/A ILE 21.A N PHE 56.A O no hydrogen 2.820 N/A GLY 22.A N GLU 15.A OE2 no hydrogen 2.763 N/A GLY 25.A N GLU 15.A OE2 no hydrogen 2.838 N/A LEU 26.A N GLY 22.A O no hydrogen 2.872 N/A GLN 27.A N.A ALA 23.A O no hydrogen 3.045 N/A GLN 27.A N.B ALA 23.A O no hydrogen 3.072 N/A GLN 27.A N.C ALA 23.A O no hydrogen 3.083 N/A GLN 27.A NE2.C GLU 31.A OE1.A no hydrogen 2.934 N/A ARG 28.A N GLU 24.A O no hydrogen 3.176 N/A LEU 29.A N GLY 25.A O no hydrogen 2.894 N/A PHE 30.A N LEU 26.A O no hydrogen 2.909 N/A GLU 31.A N.A GLN 27.A O.A no hydrogen 2.979 N/A GLU 31.A N.A GLN 27.A O.B no hydrogen 3.006 N/A GLU 31.A N.A GLN 27.A O.C no hydrogen 3.002 N/A GLU 31.A N.B GLN 27.A O.A no hydrogen 2.977 N/A GLU 31.A N.B GLN 27.A O.B no hydrogen 3.004 N/A GLU 31.A N.B GLN 27.A O.C no hydrogen 3.000 N/A ASP 32.A N ARG 28.A O no hydrogen 2.944 N/A ILE 33.A N LEU 29.A O no hydrogen 3.202 N/A ILE 33.A N PHE 30.A O no hydrogen 3.194 N/A GLN 34.A N GLU 31.A O.A no hydrogen 3.108 N/A GLN 34.A N GLU 31.A O.B no hydrogen 3.110 N/A GLN 34.A NE2 ASP 32.A O no hydrogen 3.281 N/A VAL 35.A N PHE 30.A O no hydrogen 2.948 N/A SER 38.A N.A ASP 36.A OD1 no hydrogen 2.676 N/A SER 38.A N.B ASP 36.A OD1 no hydrogen 2.668 N/A SER 38.A OG.B ASP 36.A OD1 no hydrogen 3.138 N/A ASP 39.A N ASP 36.A O no hydrogen 2.916 N/A VAL 41.A N.A ASP 39.A OD1 no hydrogen 2.983 N/A VAL 41.A N.B ASP 39.A OD1 no hydrogen 3.000 N/A THR 42.A N ASP 39.A O no hydrogen 3.007 N/A THR 42.A OG1 PRO 37.A O no hydrogen 3.285 N/A THR 42.A OG1 ASP 39.A O no hydrogen 2.836 N/A VAL 44.A N VAL 40.A O no hydrogen 3.056 N/A LEU 45.A N VAL 41.A O.A no hydrogen 2.912 N/A LEU 45.A N VAL 41.A O.B no hydrogen 2.891 N/A ALA 46.A N THR 42.A O no hydrogen 3.133 N/A TRP 47.A N LEU 43.A O no hydrogen 2.910 N/A LYS 48.A N VAL 44.A O no hydrogen 2.986 N/A LYS 48.A NZ GLU 86.A OE2 no hydrogen 2.685 N/A LEU 49.A N LEU 45.A O no hydrogen 2.924 N/A LYS 50.A N TRP 47.A O no hydrogen 3.050 N/A ALA 51.A N ALA 46.A O no hydrogen 2.983 N/A SER 52.A N.A GLU 60.A OE2 no hydrogen 3.019 N/A SER 52.A N.B GLU 60.A OE2 no hydrogen 3.030 N/A SER 52.A OG.A GLU 60.A OE2 no hydrogen 3.360 N/A SER 52.A OG.B GLU 60.A OE2 no hydrogen 3.017 N/A THR 54.A OG1 TYR 103.A O no hydrogen 2.675 N/A PHE 56.A N ILE 21.A O no hydrogen 2.882 N/A SER 57.A N GLU 60.A OE1 no hydrogen 2.897 N/A GLU 58.A N ASN 19.A O no hydrogen 2.945 N/A GLU 60.A N SER 57.A OG no hydrogen 3.004 N/A PHE 61.A N SER 57.A O no hydrogen 2.928 N/A VAL 62.A N GLU 58.A O no hydrogen 2.930 N/A GLU 63.A N.A LYS 59.A O no hydrogen 2.929 N/A GLU 63.A N.B LYS 59.A O no hydrogen 2.964 N/A GLY 64.A N GLU 60.A O no hydrogen 2.871 N/A LEU 65.A N PHE 61.A O no hydrogen 2.930 N/A ALA 66.A N VAL 62.A O no hydrogen 3.104 N/A ASN 67.A N.A GLU 63.A O.A no hydrogen 2.920 N/A ASN 67.A N.A GLU 63.A O.B no hydrogen 2.934 N/A ASN 67.A N.B GLU 63.A O.A no hydrogen 2.935 N/A ASN 67.A N.B GLU 63.A O.B no hydrogen 2.949 N/A LEU 68.A N GLY 64.A O no hydrogen 3.001 N/A GLN 69.A N ALA 66.A O no hydrogen 2.985 N/A VAL 70.A N LEU 65.A O no hydrogen 2.889 N/A LYS 75.A N.A SER 72.A OG no hydrogen 2.963 N/A LYS 75.A N.B SER 72.A OG no hydrogen 2.988 N/A LYS 75.A NZ.A GLN 69.A O no hydrogen 3.024 N/A LYS 75.A NZ.A ASP 71.A OD1 no hydrogen 3.202 N/A LYS 75.A NZ.B ASP 71.A OD1 no hydrogen 2.490 N/A LEU 76.A N SER 72.A O no hydrogen 3.022 N/A LYS 77.A N LEU 73.A O no hydrogen 2.942 N/A LYS 77.A NZ GLN 34.A OE1 no hydrogen 3.249 N/A LYS 77.A NZ GLU 74.A OE1 no hydrogen 2.744 N/A ARG 78.A N GLU 74.A O no hydrogen 3.075 N/A LYS 79.A N.A LYS 75.A O.A no hydrogen 2.818 N/A LYS 79.A N.A LYS 75.A O.B no hydrogen 2.868 N/A LYS 79.A N.B LYS 75.A O.A no hydrogen 2.811 N/A LYS 79.A N.B LYS 75.A O.B no hydrogen 2.861 N/A LEU 80.A N LEU 76.A O no hydrogen 3.001 N/A SER 81.A N.B LYS 77.A O no hydrogen 3.409 N/A SER 82.A N.A ARG 78.A O no hydrogen 3.202 N/A SER 82.A N.B ARG 78.A O no hydrogen 3.246 N/A SER 82.A OG.B ARG 78.A O no hydrogen 3.544 N/A LEU 83.A N LYS 79.A O.A no hydrogen 2.786 N/A LEU 83.A N LYS 79.A O.B no hydrogen 2.775 N/A ARG 84.A N LEU 80.A O no hydrogen 2.995 N/A ARG 84.A NH1 ASP 39.A OD1 no hydrogen 2.893 N/A ARG 84.A NH2 ASP 39.A OD1 no hydrogen 3.361 N/A ARG 84.A NH2 ASP 39.A OD2 no hydrogen 2.895 N/A LYS 85.A N SER 81.A O.A no hydrogen 3.402 N/A GLU 86.A N SER 82.A O.A no hydrogen 3.028 N/A GLU 86.A N SER 82.A O.B no hydrogen 2.947 N/A GLU 86.A N LEU 83.A O no hydrogen 3.089 N/A ILE 87.A N LEU 83.A O no hydrogen 3.449 N/A GLU 88.A N LYS 85.A O no hydrogen 3.136 N/A ASP 89.A N GLU 86.A O no hydrogen 3.255 N/A SER 91.A N ASP 89.A OD1 no hydrogen 2.975 N/A SER 91.A OG ASP 89.A OD1 no hydrogen 3.404 N/A LYS 92.A N ASP 89.A OD1 no hydrogen 3.347 N/A LYS 92.A NZ GLU 86.A OE2 no hydrogen 2.647 N/A PHE 93.A N ASP 89.A O no hydrogen 2.861 N/A ARG 94.A N PRO 90.A O.A no hydrogen 2.968 N/A ARG 94.A N PRO 90.A O.B no hydrogen 2.998 N/A ARG 94.A NH1 ASP 155.A OD1.B no hydrogen 2.620 N/A ARG 94.A NH1 ASP 155.A OD2.A no hydrogen 2.778 N/A ARG 94.A NH2 ASP 155.A OD1.A no hydrogen 3.552 N/A ARG 94.A NH2 ASP 155.A OD1.B no hydrogen 3.224 N/A ALA 95.A N SER 91.A O no hydrogen 3.150 N/A PHE 96.A N LYS 92.A O no hydrogen 2.869 N/A TYR 97.A N PHE 93.A O no hydrogen 2.770 N/A TYR 97.A OH TRP 150.A O no hydrogen 2.682 N/A GLN 98.A N ARG 94.A O no hydrogen 2.971 N/A PHE 99.A N ALA 95.A O no hydrogen 2.986 N/A VAL 100.A N PHE 96.A O no hydrogen 3.017 N/A TYR 103.A N PHE 99.A O no hydrogen 2.924 N/A SER 104.A N VAL 100.A O no hydrogen 2.962 N/A SER 104.A OG VAL 100.A O no hydrogen 2.754 N/A LYS 105.A N PHE 101.A O no hydrogen 3.288 N/A LYS 105.A NZ GLU 106.A O no hydrogen 3.447 N/A LYS 105.A NZ GLN 109.A O no hydrogen 2.792 N/A GLN 109.A N GLU 106.A O no hydrogen 2.991 N/A SER 111.A OG.A SER 144.A OG.B no hydrogen 2.811 N/A LEU 112.A N ILE 145.A O no hydrogen 2.894 N/A ALA 117.A N PRO 113.A O no hydrogen 2.918 N/A LEU 119.A N THR 116.A O no hydrogen 2.994 N/A TRP 120.A N ALA 117.A O no hydrogen 2.800 N/A TRP 120.A NE1 TYR 97.A OH no hydrogen 2.928 N/A VAL 122.A N ALA 118.A O no hydrogen 3.251 N/A LEU 123.A N LEU 119.A O no hydrogen 2.757 N/A LEU 124.A N TRP 120.A O no hydrogen 2.884 N/A ARG 125.A NE ASP 121.A OD2 no hydrogen 2.856 N/A ARG 125.A NH1 ASP 132.A OD1 no hydrogen 3.068 N/A ARG 125.A NH1 ASP 132.A OD2 no hydrogen 3.557 N/A ARG 125.A NH2 ASP 121.A OD1 no hydrogen 3.363 N/A ARG 125.A NH2 ASP 121.A OD2 no hydrogen 3.156 N/A ARG 125.A NH2 ASP 132.A OD1 no hydrogen 3.014 N/A ARG 127.A N LEU 124.A O no hydrogen 2.964 N/A LEU 131.A N PHE 128.A O no hydrogen 3.070 N/A TRP 134.A N LEU 130.A O no hydrogen 2.897 N/A LEU 135.A N LEU 131.A O no hydrogen 2.924 N/A GLU 136.A N ASP 132.A O no hydrogen 3.035 N/A PHE 137.A N SER 133.A O no hydrogen 2.874 N/A LEU 138.A N TRP 134.A O no hydrogen 2.968 N/A LYS 139.A N GLU 136.A O no hydrogen 2.968 N/A ASN 140.A N PHE 137.A O no hydrogen 3.282 N/A ASN 141.A N LEU 138.A O no hydrogen 3.011 N/A ASN 141.A ND2 PHE 137.A O no hydrogen 2.912 N/A SER 144.A OG.B SER 111.A OG.A no hydrogen 2.811 N/A ILE 145.A N LEU 112.A O no hydrogen 2.818 N/A SER 146.A OG THR 149.A OG1 no hydrogen 3.019 N/A ARG 147.A NH1 GLN 102.A OE1 no hydrogen 2.646 N/A ARG 147.A NH2 GLN 102.A OE1 no hydrogen 2.828 N/A THR 149.A N SER 146.A OG no hydrogen 3.102 N/A THR 149.A OG1 SER 146.A OG no hydrogen 3.019 N/A TRP 150.A N SER 146.A O no hydrogen 2.926 N/A TRP 150.A NE1 TYR 97.A O no hydrogen 2.913 N/A ASN 151.A N ARG 147.A O no hydrogen 2.846 N/A LEU 152.A N.A ASP 148.A O no hydrogen 2.823 N/A LEU 152.A N.B ASP 148.A O no hydrogen 2.787 N/A LEU 153.A N THR 149.A O no hydrogen 2.964 N/A TYR 154.A N ASN 151.A O no hydrogen 3.172 N/A PHE 156.A N LEU 152.A O.A no hydrogen 2.749 N/A PHE 156.A N LEU 152.A O.B no hydrogen 2.875 N/A SER 157.A N LEU 153.A O no hydrogen 2.852 N/A SER 157.A OG TYR 154.A O no hydrogen 2.658 N/A GLN 158.A N TYR 154.A O no hydrogen 3.102 N/A GLN 158.A N ASP 155.A O.A no hydrogen 3.191 N/A GLN 158.A N ASP 155.A O.B no hydrogen 3.145 N/A LEU 159.A N PHE 156.A O no hydrogen 3.175 N/A ASP 164.A N LYS 160.A O no hydrogen 2.856 N/A TYR 165.A N LEU 162.A O no hydrogen 3.065 N/A TYR 165.A OH ASP 173.A OD1.B no hydrogen 2.439 N/A ASP 173.A N.A PRO 169.A O no hydrogen 3.028 N/A ASP 173.A N.B PRO 169.A O no hydrogen 3.016 N/A ASP 174.A N VAL 170.A O no hydrogen 2.773 N/A PHE 175.A N LEU 171.A O no hydrogen 3.006 N/A VAL 176.A N ILE 172.A O no hydrogen 3.032 N/A LYS 177.A N ASP 173.A O.A no hydrogen 3.158 N/A LYS 177.A N ASP 173.A O.B no hydrogen 3.148 N/A TRP 178.A N ASP 174.A O no hydrogen 2.860 N/A LEU 179.A N PHE 175.A O no hydrogen 2.950 N/A LYS 180.A N LYS 177.A O no hydrogen 3.062 N/A HIS 181.A N TRP 178.A O no hydrogen 2.931 N/A GLU 182.A N LYS 177.A O no hydrogen 3.492 N/A