Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ek2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N GLU 31.A OE1 no hydrogen 2.991 N/A LEU 4.A N GLU 31.A O no hydrogen 2.838 N/A ASP 5.A N GLY 2.A O no hydrogen 3.138 N/A LYS 7.A N LEU 4.A O no hydrogen 2.884 N/A LYS 7.A NZ ASP 138.A OD2 no hydrogen 3.524 N/A LYS 7.A NZ ASP 230.A OD1 no hydrogen 2.968 N/A ARG 8.A N ASP 86.A OD2 no hydrogen 2.845 N/A ARG 8.A NE GLU 34.A OE1 no hydrogen 3.202 N/A ARG 8.A NH2 GLU 34.A OE1 no hydrogen 3.359 N/A ILE 9.A N GLU 34.A O no hydrogen 2.948 N/A LEU 10.A N GLY 87.A O no hydrogen 3.000 N/A LEU 11.A N ALA 36.A O no hydrogen 2.950 N/A THR 12.A N VAL 89.A O no hydrogen 3.028 N/A THR 12.A OG1 VAL 89.A O no hydrogen 2.793 N/A LEU 15.A N SER 19.A OG no hydrogen 3.069 N/A SER 16.A N SER 19.A OG no hydrogen 3.096 N/A ARG 18.A N SER 16.A OG no hydrogen 3.098 N/A SER 19.A N SER 16.A O no hydrogen 3.122 N/A SER 19.A OG SER 16.A O no hydrogen 3.286 N/A TYR 22.A OH GLU 54.A OE2 no hydrogen 2.316 N/A GLY 23.A N SER 19.A O no hydrogen 3.163 N/A ILE 24.A N ILE 20.A O no hydrogen 3.051 N/A ALA 25.A N ALA 21.A O no hydrogen 2.862 N/A LYS 26.A N TYR 22.A O no hydrogen 2.845 N/A LYS 26.A NZ GLU 218.A OE2 no hydrogen 2.708 N/A ALA 27.A N GLY 23.A O no hydrogen 3.208 N/A CYS 28.A N ILE 24.A O no hydrogen 3.025 N/A CYS 28.A SG ILE 24.A O no hydrogen 3.264 N/A LYS 29.A N ALA 25.A O no hydrogen 2.960 N/A ARG 30.A N LYS 26.A O no hydrogen 2.919 N/A ARG 30.A NE GLU 31.A OE2 no hydrogen 3.022 N/A ARG 30.A NH1 ASN 222.A OD1 no hydrogen 3.024 N/A ARG 30.A NH2 GLU 31.A OE2 no hydrogen 2.810 N/A ARG 30.A NH2 ASN 222.A OD1 no hydrogen 2.886 N/A GLU 31.A N ALA 27.A O no hydrogen 3.066 N/A GLY 32.A N LYS 29.A O no hydrogen 3.006 N/A ALA 33.A N CYS 28.A O no hydrogen 2.954 N/A GLU 34.A N LYS 7.A O no hydrogen 2.810 N/A ALA 36.A N ILE 9.A O no hydrogen 2.954 N/A PHE 37.A N LEU 59.A O no hydrogen 2.932 N/A THR 38.A N LEU 11.A O no hydrogen 3.133 N/A TYR 39.A N PHE 61.A O no hydrogen 3.058 N/A PHE 44.A N GLY 41.A O no hydrogen 2.996 N/A LYS 45.A N ASP 42.A O no hydrogen 3.187 N/A ARG 47.A NH2 ARG 43.A O no hydrogen 3.072 N/A ILE 48.A N PHE 44.A O no hydrogen 3.011 N/A THR 49.A N LYS 45.A O no hydrogen 2.951 N/A THR 49.A OG1 LYS 45.A O no hydrogen 2.719 N/A GLU 50.A N ASP 46.A O no hydrogen 3.051 N/A PHE 51.A N ARG 47.A O no hydrogen 3.227 N/A ALA 52.A N ILE 48.A O no hydrogen 2.840 N/A ALA 53.A N THR 49.A O no hydrogen 3.062 N/A GLU 54.A N GLU 50.A O no hydrogen 3.130 N/A PHE 55.A N PHE 51.A O no hydrogen 3.322 N/A PHE 55.A N ALA 52.A O no hydrogen 2.910 N/A GLY 56.A N ALA 53.A O no hydrogen 2.950 N/A SER 57.A N ALA 52.A O no hydrogen 2.887 N/A SER 57.A OG LEU 35.A O no hydrogen 2.769 N/A LEU 59.A N SER 57.A OG no hydrogen 3.092 N/A PHE 61.A N PHE 37.A O no hydrogen 3.024 N/A CYS 63.A N TYR 39.A O no hydrogen 2.799 N/A ASP 64.A N GLN 70.A OE1 no hydrogen 2.886 N/A ALA 66.A N ASP 64.A OD1 no hydrogen 2.934 N/A ASP 67.A N ASP 64.A O no hydrogen 2.929 N/A ALA 69.A N ASP 67.A OD1 no hydrogen 2.991 N/A GLN 70.A N ASP 67.A O no hydrogen 3.065 N/A GLN 70.A NE2 ASP 67.A OD2 no hydrogen 3.473 N/A ILE 71.A N ASP 67.A O no hydrogen 3.196 N/A ASP 72.A N ASP 68.A O no hydrogen 2.804 N/A ALA 73.A N ALA 69.A O no hydrogen 3.052 N/A LEU 74.A N GLN 70.A O no hydrogen 3.047 N/A SER 77.A N ALA 73.A O no hydrogen 2.947 N/A SER 77.A OG ALA 73.A O no hydrogen 3.322 N/A LEU 78.A N LEU 74.A O no hydrogen 2.890 N/A LYS 79.A N PHE 75.A O no hydrogen 2.961 N/A LYS 79.A NZ ASP 83.A O no hydrogen 2.864 N/A LYS 79.A NZ ASP 83.A OD1 no hydrogen 3.182 N/A THR 80.A N SER 77.A O no hydrogen 3.011 N/A THR 80.A OG1 SER 77.A O no hydrogen 2.759 N/A HIS 81.A N LEU 78.A O no hydrogen 2.795 N/A TRP 82.A N LEU 78.A O no hydrogen 2.918 N/A LEU 85.A N MET 134.A O no hydrogen 2.787 N/A ASP 86.A N ARG 8.A O no hydrogen 2.909 N/A GLY 87.A N ARG 8.A O no hydrogen 3.169 N/A LEU 88.A N SER 140.A O no hydrogen 3.169 N/A VAL 89.A N LEU 10.A O no hydrogen 2.972 N/A HIS 90.A N LEU 142.A O no hydrogen 2.719 N/A HIS 90.A ND1 THR 143.A OG1 no hydrogen 2.808 N/A HIS 90.A NE2 SER 123.A OG no hydrogen 2.866 N/A SER 91.A N THR 12.A OG1 no hydrogen 2.992 N/A PHE 94.A N SER 120.A OG no hydrogen 3.052 N/A ALA 99.A N PRO 96.A O no hydrogen 2.844 N/A ILE 100.A N ARG 97.A O no hydrogen 3.306 N/A GLY 102.A N ASN 155.A OD1 no hydrogen 2.877 N/A ASP 106.A N ASP 103.A OD2 no hydrogen 2.886 N/A GLY 107.A N ASP 103.A O no hydrogen 3.377 N/A LEU 108.A N LEU 105.A O no hydrogen 3.046 N/A ASN 112.A N THR 109.A OG1 no hydrogen 3.005 N/A ASN 112.A ND2 GLU 98.A OE1 no hydrogen 3.004 N/A ASN 112.A ND2 GLY 107.A O no hydrogen 3.000 N/A PHE 113.A N THR 109.A O no hydrogen 3.069 N/A ARG 114.A N ARG 110.A O no hydrogen 2.842 N/A ARG 114.A NE GLU 111.A OE1 no hydrogen 2.952 N/A ARG 114.A NE GLU 111.A OE2 no hydrogen 3.410 N/A ARG 114.A NH2 GLU 111.A OE2 no hydrogen 2.622 N/A ILE 115.A N GLU 111.A O no hydrogen 2.920 N/A ALA 116.A N ASN 112.A O no hydrogen 2.966 N/A HIS 117.A N PHE 113.A O no hydrogen 3.099 N/A HIS 117.A ND1 PHE 113.A O no hydrogen 2.882 N/A ASP 118.A N ARG 114.A O no hydrogen 2.871 N/A ILE 119.A N ILE 115.A O no hydrogen 2.981 N/A SER 120.A N ALA 116.A O no hydrogen 3.024 N/A SER 120.A OG ALA 116.A O no hydrogen 2.811 N/A ALA 121.A N HIS 117.A O no hydrogen 3.132 N/A TYR 122.A N HIS 117.A O no hydrogen 2.901 N/A SER 123.A N ASP 118.A O no hydrogen 3.237 N/A SER 123.A OG HIS 90.A NE2 no hydrogen 2.866 N/A SER 123.A OG ILE 119.A O no hydrogen 2.624 N/A PHE 124.A N ALA 121.A O no hydrogen 3.301 N/A ALA 126.A N TYR 122.A O no hydrogen 3.020 N/A LEU 127.A N SER 123.A O no hydrogen 2.902 N/A ALA 128.A N PHE 124.A O no hydrogen 3.008 N/A LYS 129.A N PRO 125.A O no hydrogen 2.912 N/A ALA 130.A N ALA 126.A O no hydrogen 3.125 N/A ALA 131.A N LEU 127.A O no hydrogen 2.809 N/A ALA 131.A N ALA 128.A O no hydrogen 3.124 N/A LEU 132.A N LYS 129.A O no hydrogen 3.223 N/A MET 134.A N ALA 131.A O no hydrogen 2.869 N/A LEU 135.A N LEU 132.A O no hydrogen 3.081 N/A SER 136.A N LEU 85.A O no hydrogen 2.935 N/A SER 136.A OG LEU 85.A O no hydrogen 3.247 N/A SER 136.A OG ASP 86.A OD1 no hydrogen 2.637 N/A SER 136.A OG ASP 138.A OD1 no hydrogen 3.415 N/A ALA 139.A N SER 136.A O no hydrogen 3.155 N/A SER 140.A N ASP 86.A O no hydrogen 2.977 N/A SER 140.A OG LEU 227.A O no hydrogen 2.868 N/A LEU 141.A N ARG 183.A O no hydrogen 2.899 N/A LEU 142.A N LEU 88.A O no hydrogen 2.886 N/A THR 143.A N ASN 185.A O no hydrogen 3.104 N/A THR 143.A OG1 HIS 90.A ND1 no hydrogen 2.808 N/A THR 143.A OG1 HIS 90.A O no hydrogen 3.544 N/A SER 145.A N ILE 187.A O no hydrogen 2.813 N/A SER 145.A OG GLU 167.A OE2 no hydrogen 2.563 N/A TYR 146.A N SER 145.A OG no hydrogen 2.742 N/A ALA 149.A N TYR 146.A O no hydrogen 2.899 N/A GLU 150.A N LEU 147.A O no hydrogen 2.833 N/A ARG 151.A N LEU 147.A O no hydrogen 3.170 N/A ARG 151.A NH1 ASN 247.A O no hydrogen 3.523 N/A ARG 151.A NH2 ASN 247.A O no hydrogen 3.071 N/A TYR 156.A N ILE 153.A O no hydrogen 3.163 N/A ASN 157.A ND2 GLY 102.A O no hydrogen 2.906 N/A THR 158.A N ALA 99.A O no hydrogen 3.139 N/A MET 159.A N TYR 156.A O no hydrogen 2.987 N/A GLY 160.A N ASN 157.A O no hydrogen 2.904 N/A ALA 162.A N THR 158.A O no hydrogen 3.233 N/A LYS 163.A N MET 159.A O no hydrogen 2.933 N/A LYS 163.A NZ LEU 144.A O no hydrogen 2.858 N/A ALA 164.A N GLY 160.A O no hydrogen 3.109 N/A ALA 165.A N LEU 161.A O no hydrogen 3.112 N/A LEU 166.A N ALA 162.A O no hydrogen 2.828 N/A GLU 167.A N LYS 163.A O no hydrogen 2.879 N/A ALA 168.A N ALA 164.A O no hydrogen 3.026 N/A SER 169.A N ALA 165.A O no hydrogen 3.019 N/A SER 169.A OG LEU 166.A O no hydrogen 2.605 N/A VAL 170.A N LEU 166.A O no hydrogen 3.146 N/A VAL 170.A N GLU 167.A O no hydrogen 3.200 N/A TYR 172.A N ALA 168.A O no hydrogen 3.126 N/A LEU 173.A N SER 169.A O no hydrogen 2.845 N/A ALA 174.A N VAL 170.A O no hydrogen 2.996 N/A VAL 175.A N ARG 171.A O no hydrogen 3.247 N/A SER 176.A N TYR 172.A O no hydrogen 3.019 N/A LEU 177.A N LEU 173.A O no hydrogen 2.884 N/A LYS 180.A NZ LEU 135.A O no hydrogen 2.925 N/A LYS 180.A NZ ASP 137.A OD1 no hydrogen 2.661 N/A VAL 182.A N LEU 177.A O no hydrogen 3.248 N/A ARG 183.A N ALA 139.A O no hydrogen 2.997 N/A ARG 183.A NH1 LEU 227.A O no hydrogen 3.029 N/A ARG 183.A NH1 VAL 235.A O no hydrogen 3.052 N/A ARG 183.A NH2 LEU 227.A O no hydrogen 3.041 N/A VAL 184.A N THR 236.A OG1 no hydrogen 2.958 N/A ASN 185.A N LEU 141.A O no hydrogen 2.964 N/A ASN 185.A ND2 VAL 235.A O no hydrogen 3.024 N/A ALA 186.A N GLU 238.A O no hydrogen 2.885 N/A ILE 187.A N THR 143.A O no hydrogen 2.878 N/A SER 188.A N MET 240.A O no hydrogen 2.786 N/A ALA 189.A N SER 145.A O no hydrogen 3.165 N/A GLY 190.A N VAL 242.A O no hydrogen 2.999 N/A GLY 199.A N ILE 195.A O no hydrogen 2.839 N/A LYS 200.A N LYS 196.A O no hydrogen 3.113 N/A ILE 201.A N SER 197.A O no hydrogen 3.326 N/A LEU 202.A N PHE 198.A O no hydrogen 3.015 N/A ASP 203.A N GLY 199.A O no hydrogen 2.977 N/A PHE 204.A N LYS 200.A O no hydrogen 3.040 N/A VAL 205.A N ILE 201.A O no hydrogen 2.865 N/A GLU 206.A N LEU 202.A O no hydrogen 2.986 N/A SER 207.A N ASP 203.A O no hydrogen 3.068 N/A SER 207.A OG ASP 203.A O no hydrogen 2.816 N/A ASN 208.A N PHE 204.A O no hydrogen 2.907 N/A ASN 208.A ND2 PHE 204.A O no hydrogen 3.048 N/A SER 209.A N VAL 205.A O no hydrogen 2.853 N/A SER 209.A OG VAL 205.A O no hydrogen 2.794 N/A SER 209.A OG ARG 213.A O no hydrogen 3.310 N/A LEU 211.A N SER 244.A O no hydrogen 3.364 N/A LYS 212.A N SER 209.A O no hydrogen 3.027 N/A LYS 212.A NZ SER 207.A O no hydrogen 2.623 N/A ARG 213.A N SER 209.A OG no hydrogen 3.253 N/A ASN 214.A ND2 LEU 202.A O no hydrogen 2.963 N/A THR 216.A N GLN 219.A OE1 no hydrogen 3.149 N/A GLN 219.A N THR 216.A OG1 no hydrogen 3.135 N/A VAL 220.A N THR 216.A O no hydrogen 3.051 N/A GLY 221.A N ILE 217.A O no hydrogen 2.745 N/A ASN 222.A N GLU 218.A O no hydrogen 3.059 N/A ALA 223.A N GLN 219.A O no hydrogen 3.260 N/A GLY 224.A N VAL 220.A O no hydrogen 2.988 N/A ALA 225.A N GLY 221.A O no hydrogen 2.776 N/A PHE 226.A N ASN 222.A O no hydrogen 2.938 N/A LEU 227.A N ALA 223.A O no hydrogen 2.963 N/A LEU 228.A N GLY 224.A O no hydrogen 2.923 N/A SER 229.A N PHE 226.A O no hydrogen 2.939 N/A SER 229.A OG PHE 226.A O no hydrogen 2.762 N/A LEU 231.A N SER 229.A OG no hydrogen 3.240 N/A ALA 232.A N SER 229.A O no hydrogen 3.062 N/A SER 233.A N ASP 230.A O no hydrogen 3.102 N/A SER 233.A OG ASP 230.A O no hydrogen 3.258 N/A VAL 235.A N ALA 232.A O no hydrogen 2.887 N/A THR 236.A OG1 VAL 184.A O no hydrogen 3.483 N/A ALA 237.A N VAL 184.A O no hydrogen 2.717 N/A GLU 238.A N ASN 185.A OD1 no hydrogen 2.963 N/A MET 240.A N ALA 186.A O no hydrogen 2.952 N/A HIS 241.A NE2 GLU 150.A OE2 no hydrogen 2.704 N/A VAL 242.A N SER 188.A O no hydrogen 3.014 N/A SER 244.A OG ARG 213.A O no hydrogen 2.686 N/A GLY 245.A N ASP 243.A OD1 no hydrogen 2.862 N/A PHE 246.A N ASP 243.A O no hydrogen 3.075 N/A ASN 247.A N ASP 243.A OD2 no hydrogen 2.902 N/A ALA 248.A N GLY 245.A O no hydrogen 3.050 N/A VAL 249.A N PHE 246.A O no hydrogen 3.380 N/A GLY 252.A N ASN 208.A OD1 no hydrogen 3.052 N/A