Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xko_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH2 LEU 12.A O no hydrogen 2.606 N/A GLU 4.A N MET 1.A O no hydrogen 3.223 N/A LEU 5.A N PHE 2.A O no hydrogen 2.909 N/A GLY 6.A N ARG 3.A O no hydrogen 2.807 N/A SER 7.A N LEU 10.A O no hydrogen 3.039 N/A LYS 9.A NZ GLU 103.A OE2 no hydrogen 2.746 N/A LEU 10.A N SER 7.A OG no hydrogen 2.982 N/A LEU 12.A N LEU 10.A O no hydrogen 2.650 N/A GLN 13.A N SER 91.A O no hydrogen 2.806 N/A GLU 15.A N LEU 89.A O no hydrogen 2.952 N/A PHE 17.A N VAL 87.A O no hydrogen 3.020 N/A GLY 20.A N ALA 83.A O no hydrogen 2.671 N/A LYS 21.A N GLU 18.A O no hydrogen 3.072 N/A THR 22.A OG1 HIS 80.A NE2 no hydrogen 2.664 N/A ILE 23.A N ALA 81.A O no hydrogen 2.678 N/A PHE 24.A N ALA 81.A O no hydrogen 3.304 N/A PHE 25.A N ASP 28.A OD2 no hydrogen 2.943 N/A GLY 27.A N ARG 77.A O no hydrogen 2.838 N/A ASP 28.A N PHE 25.A O no hydrogen 3.191 N/A ALA 30.A N SER 75.A O no hydrogen 2.966 N/A ARG 32.A NH1 GLN 13.A OE1 no hydrogen 2.733 N/A ARG 32.A NH2 GLN 13.A OE1 no hydrogen 3.043 N/A VAL 33.A N VAL 92.A O no hydrogen 2.995 N/A TYR 34.A N PHE 64.A O no hydrogen 2.829 N/A LEU 35.A N PHE 90.A O no hydrogen 3.028 N/A LEU 36.A N SER 62.A O no hydrogen 2.893 N/A VAL 37.A N GLN 88.A O no hydrogen 2.923 N/A LYS 38.A N GLN 88.A O no hydrogen 3.083 N/A ALA 40.A N THR 85.A OG1 no hydrogen 3.019 N/A VAL 41.A N LEU 58.A O no hydrogen 3.338 N/A LYS 42.A N VAL 82.A O no hydrogen 2.880 N/A LEU 43.A N ALA 56.A O no hydrogen 2.833 N/A SER 44.A N HIS 80.A O no hydrogen 2.870 N/A SER 44.A OG GLU 52.A OE1 no hydrogen 2.745 N/A ARG 45.A N ILE 53.A O no hydrogen 2.734 N/A TYR 47.A N GLU 51.A O no hydrogen 3.041 N/A GLY 50.A N TYR 47.A O no hydrogen 2.972 N/A GLU 51.A N SER 49.A OG no hydrogen 2.865 N/A ILE 53.A N ARG 45.A O no hydrogen 2.905 N/A THR 54.A N GLU 170.A O no hydrogen 2.977 N/A VAL 55.A N LEU 43.A O no hydrogen 2.631 N/A ALA 56.A N LEU 43.A O no hydrogen 3.193 N/A LEU 58.A N VAL 41.A O no hydrogen 2.764 N/A ARG 59.A NH1 ASP 148.A O no hydrogen 3.009 N/A ASN 61.A N LEU 36.A O no hydrogen 2.729 N/A SER 62.A OG ARG 59.A O no hydrogen 2.239 N/A PHE 64.A N TYR 34.A O no hydrogen 2.942 N/A SER 68.A N GLY 65.A O no hydrogen 3.108 N/A SER 68.A OG ARG 32.A O no hydrogen 2.936 N/A SER 68.A OG GLY 65.A O no hydrogen 2.710 N/A LEU 69.A N VAL 66.A O no hydrogen 2.841 N/A LEU 70.A N LEU 67.A O no hydrogen 2.870 N/A THR 71.A N LEU 67.A O no hydrogen 3.098 N/A THR 71.A OG1 LEU 67.A O no hydrogen 3.200 N/A THR 71.A OG1 GLY 72.A O no hydrogen 3.363 N/A GLY 72.A N SER 68.A O no hydrogen 2.858 N/A SER 75.A N GLY 72.A O no hydrogen 3.297 N/A ARG 77.A N ASP 28.A O no hydrogen 2.858 N/A ARG 77.A NH1 GLY 65.A O no hydrogen 3.103 N/A ARG 77.A NH2 ARG 32.A O no hydrogen 2.885 N/A HIS 80.A N SER 44.A O no hydrogen 2.945 N/A HIS 80.A ND1 GLU 52.A OE1 no hydrogen 3.376 N/A HIS 80.A NE2 THR 22.A OG1 no hydrogen 2.664 N/A ALA 81.A N PHE 24.A O no hydrogen 2.957 N/A VAL 82.A N LYS 42.A O no hydrogen 2.829 N/A ALA 83.A N LYS 21.A O no hydrogen 2.765 N/A PHE 84.A N ALA 40.A O no hydrogen 2.777 N/A THR 85.A N ALA 40.A O no hydrogen 3.341 N/A THR 85.A OG1 PRO 86.A O no hydrogen 2.715 N/A VAL 87.A N PHE 17.A O no hydrogen 3.072 N/A GLN 88.A N LYS 38.A O no hydrogen 2.961 N/A LEU 89.A N GLU 15.A O no hydrogen 2.976 N/A PHE 90.A N LEU 35.A O no hydrogen 3.135 N/A SER 91.A N GLN 13.A O no hydrogen 2.758 N/A SER 91.A OG GLU 15.A OE1 no hydrogen 2.444 N/A VAL 92.A N VAL 33.A O no hydrogen 3.171 N/A ILE 94.A N GLU 31.A O no hydrogen 2.926 N/A PHE 96.A N PRO 93.A O no hydrogen 3.309 N/A MET 97.A N ILE 94.A O no hydrogen 3.065 N/A LYS 99.A NZ GLN 98.A OE1.B no hydrogen 3.443 N/A ALA 100.A N PHE 96.A O no hydrogen 3.275 N/A LEU 101.A N MET 97.A O no hydrogen 2.787 N/A ILE 102.A N GLN 98.A O no hydrogen 3.085 N/A GLU 103.A N ALA 100.A O no hydrogen 3.022 N/A ARG 104.A N ALA 100.A O no hydrogen 2.939 N/A ARG 104.A NH1 LEU 5.A O no hydrogen 2.920 N/A ARG 104.A NH2 LEU 5.A O no hydrogen 2.662 N/A LEU 107.A N ARG 104.A O no hydrogen 2.691 N/A ALA 108.A N PRO 105.A O no hydrogen 2.991 N/A VAL 110.A N GLU 106.A O no hydrogen 3.301 N/A MET 111.A N LEU 107.A O no hydrogen 2.934 N/A LEU 112.A N ALA 108.A O no hydrogen 2.659 N/A GLN 113.A N ASN 109.A O no hydrogen 2.983 N/A GLY 114.A N VAL 110.A O no hydrogen 3.051 N/A LEU 115.A N MET 111.A O no hydrogen 2.970 N/A SER 116.A N LEU 112.A O no hydrogen 2.973 N/A SER 116.A OG LEU 112.A O no hydrogen 2.697 N/A SER 117.A N GLN 113.A O no hydrogen 2.884 N/A ARG 118.A N GLY 114.A O no hydrogen 3.210 N/A ARG 118.A NH1 VAL 63.A O no hydrogen 2.739 N/A ILE 119.A N LEU 115.A O no hydrogen 3.094 N/A LEU 120.A N SER 116.A O no hydrogen 3.092 N/A GLN 121.A N SER 117.A O no hydrogen 2.897 N/A GLN 121.A NE2 SER 117.A OG no hydrogen 2.741 N/A THR 122.A N ARG 118.A O no hydrogen 2.947 N/A THR 122.A OG1 ARG 118.A O no hydrogen 2.973 N/A GLU 123.A N ILE 119.A O no hydrogen 3.020 N/A MET 124.A N LEU 120.A O no hydrogen 3.086 N/A MET 125.A N GLN 121.A O no hydrogen 3.155 N/A ILE 126.A N THR 122.A O no hydrogen 2.960 N/A GLU 127.A N GLU 123.A O no hydrogen 2.997 N/A THR 128.A N MET 124.A O no hydrogen 3.034 N/A THR 128.A OG1 MET 124.A O no hydrogen 3.059 N/A THR 128.A OG1 SER 140.A OG no hydrogen 2.555 N/A LEU 129.A N MET 125.A O no hydrogen 2.773 N/A ALA 130.A N ILE 126.A O no hydrogen 2.815 N/A HIS 131.A N THR 128.A O no hydrogen 3.304 N/A GLY 135.A N ASP 133.A OD1 no hydrogen 3.138 N/A SER 136.A OG ASP 133.A OD2 no hydrogen 2.608 N/A ARG 137.A N ASP 133.A O no hydrogen 2.977 N/A ARG 137.A NE HIS 131.A O no hydrogen 3.117 N/A ARG 137.A NH1 ILE 172.A O no hydrogen 2.972 N/A ARG 137.A NH2 HIS 131.A O no hydrogen 2.745 N/A LEU 138.A N MET 134.A O no hydrogen 2.985 N/A VAL 139.A N GLY 135.A O no hydrogen 2.867 N/A SER 140.A N SER 136.A O no hydrogen 2.979 N/A SER 140.A OG THR 128.A OG1 no hydrogen 2.555 N/A PHE 141.A N ARG 137.A O no hydrogen 3.028 N/A LEU 142.A N LEU 138.A O no hydrogen 2.853 N/A LEU 143.A N VAL 139.A O no hydrogen 2.725 N/A ILE 144.A N SER 140.A O no hydrogen 3.042 N/A LEU 145.A N PHE 141.A O no hydrogen 2.837 N/A CYS 146.A N LEU 142.A O no hydrogen 2.854 N/A CYS 146.A SG LEU 142.A O no hydrogen 3.304 N/A ARG 147.A N LEU 143.A O no hydrogen 3.120 N/A ARG 147.A NE ASP 148.A OD1 no hydrogen 2.786 N/A ARG 147.A NH2 ASP 148.A OD1 no hydrogen 3.271 N/A ARG 147.A NH2 ASP 148.A OD2 no hydrogen 3.217 N/A ASP 148.A N ILE 144.A O no hydrogen 2.977 N/A PHE 149.A N LEU 145.A O no hydrogen 2.686 N/A GLY 150.A N CYS 146.A O no hydrogen 2.922 N/A ILE 151.A N THR 158.A O no hydrogen 2.755 N/A SER 153.A N GLY 156.A O no hydrogen 2.870 N/A SER 153.A OG THR 158.A OG1 no hydrogen 2.702 N/A GLY 156.A N SER 153.A O no hydrogen 3.112 N/A ILE 157.A N VAL 201.A O no hydrogen 2.993 N/A THR 158.A N ILE 151.A O no hydrogen 2.937 N/A THR 158.A OG1 SER 153.A OG no hydrogen 2.702 N/A THR 158.A OG1 THR 200.A OG1 no hydrogen 2.892 N/A ILE 159.A N ILE 199.A O no hydrogen 2.850 N/A ASP 160.A N PHE 149.A O no hydrogen 2.865 N/A LEU 161.A N ILE 159.A O no hydrogen 2.671 N/A LEU 163.A N LYS 197.A O no hydrogen 3.008 N/A HIS 165.A ND1 THR 180.A OG1 no hydrogen 2.817 N/A GLN 166.A NE2 GLU 170.A OE2 no hydrogen 3.102 N/A ALA 167.A N SER 164.A OG no hydrogen 2.907 N/A ILE 168.A N SER 164.A O no hydrogen 3.122 N/A ALA 169.A N HIS 165.A O no hydrogen 2.906 N/A GLU 170.A N GLN 166.A O no hydrogen 2.865 N/A ALA 171.A N ILE 168.A O no hydrogen 2.969 N/A ILE 172.A N ILE 168.A O no hydrogen 3.082 N/A ILE 172.A N ALA 169.A O no hydrogen 3.354 N/A SER 174.A N ALA 169.A O no hydrogen 3.050 N/A THR 175.A OG1 THR 178.A OG1 no hydrogen 2.900 N/A THR 178.A N THR 175.A O no hydrogen 3.074 N/A THR 178.A N THR 175.A OG1 no hydrogen 3.172 N/A THR 178.A OG1 THR 175.A OG1 no hydrogen 2.900 N/A VAL 179.A N THR 175.A O no hydrogen 3.007 N/A THR 180.A N ARG 176.A O no hydrogen 3.127 N/A THR 180.A OG1 HIS 165.A ND1 no hydrogen 2.817 N/A THR 180.A OG1 ARG 176.A O no hydrogen 3.180 N/A ARG 181.A N VAL 177.A O no hydrogen 3.346 N/A LEU 182.A N THR 178.A O no hydrogen 3.235 N/A LEU 183.A N VAL 179.A O no hydrogen 2.827 N/A GLY 184.A N THR 180.A O no hydrogen 2.878 N/A ASP 185.A N ARG 181.A O no hydrogen 3.025 N/A LEU 186.A N LEU 182.A O no hydrogen 2.987 N/A ARG 187.A N LEU 183.A O no hydrogen 2.927 N/A GLU 188.A N GLY 184.A O no hydrogen 2.966 N/A SER 189.A N ASP 185.A O no hydrogen 2.855 N/A SER 189.A OG ASP 185.A O no hydrogen 3.285 N/A LYS 190.A N ARG 187.A O no hydrogen 2.961 N/A LEU 191.A N LEU 186.A O no hydrogen 2.983 N/A ALA 193.A N THR 200.A O no hydrogen 2.895 N/A HIS 195.A N ARG 198.A O no hydrogen 3.071 N/A ARG 198.A N HIS 195.A O no hydrogen 2.908 N/A THR 200.A N ALA 193.A O no hydrogen 2.892 N/A THR 200.A OG1 THR 158.A OG1 no hydrogen 2.892 N/A VAL 201.A N ILE 157.A O no hydrogen 2.670 N/A PHE 202.A N LEU 191.A O no hydrogen 3.130 N/A LEU 207.A N ASN 203.A O no hydrogen 2.998 N/A SER 208.A N PRO 204.A O no hydrogen 3.070 N/A SER 208.A OG VAL 205.A O no hydrogen 2.854 N/A GLN 209.A N VAL 205.A O no hydrogen 3.367 N/A GLN 210.A N LEU 207.A O no hydrogen 3.151 N/A GLN 210.A NE2.B ALA 206.A O no hydrogen 3.655 N/A PHE 211.A N SER 208.A O no hydrogen 2.970 N/A