Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ku0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLY 48.A O no hydrogen 3.430 N/A VAL 5.A N LEU 53.A O no hydrogen 2.784 N/A PHE 7.A N ALA 55.A O no hydrogen 2.966 N/A THR 9.A N SER 57.A O no hydrogen 3.010 N/A THR 9.A OG1 SER 57.A O no hydrogen 3.454 N/A THR 9.A OG1 ASP 59.A OD1 no hydrogen 2.902 N/A LYS 10.A N SER 8.A OG no hydrogen 3.238 N/A ALA 12.A N THR 9.A O no hydrogen 3.008 N/A THR 13.A N THR 16.A OG1 no hydrogen 3.018 N/A ILE 15.A N THR 13.A OG1 no hydrogen 3.195 N/A THR 16.A N THR 13.A OG1 no hydrogen 3.252 N/A THR 16.A OG1 THR 13.A O no hydrogen 2.998 N/A TYR 17.A N THR 13.A O no hydrogen 3.143 N/A TYR 17.A OH MET 163.A O no hydrogen 2.729 N/A VAL 18.A N TYR 14.A O no hydrogen 3.182 N/A ASN 19.A N ILE 15.A O no hydrogen 3.021 N/A PHE 20.A N THR 16.A O no hydrogen 3.061 N/A LEU 21.A N TYR 17.A O no hydrogen 3.012 N/A ASN 22.A N VAL 18.A O no hydrogen 3.041 N/A GLU 23.A N ASN 19.A O no hydrogen 3.057 N/A GLU 23.A N PHE 20.A O no hydrogen 2.971 N/A LEU 24.A N PHE 20.A O no hydrogen 2.989 N/A ARG 25.A N LEU 21.A O no hydrogen 2.931 N/A ARG 25.A NE ALA 168.A O no hydrogen 2.854 N/A ARG 25.A NH1 ASN 22.A OD1 no hydrogen 2.994 N/A ARG 25.A NH1 GLU 174.A OE1 no hydrogen 2.990 N/A ARG 25.A NH2 ALA 167.A O no hydrogen 2.701 N/A ARG 25.A NH2 ALA 168.A O no hydrogen 3.526 N/A ARG 25.A NH2 GLU 174.A OE1 no hydrogen 2.892 N/A VAL 26.A N ASN 22.A O no hydrogen 3.341 N/A VAL 26.A N GLU 23.A O no hydrogen 3.251 N/A LYS 27.A N GLU 23.A O no hydrogen 3.062 N/A LYS 27.A NZ THR 4.A O no hydrogen 2.622 N/A LYS 27.A NZ GLU 23.A OE2 no hydrogen 3.199 N/A LEU 28.A N LEU 24.A O no hydrogen 3.048 N/A LYS 29.A N VAL 26.A O no hydrogen 2.934 N/A LYS 29.A NZ ASP 3.A OD2 no hydrogen 2.746 N/A GLU 31.A N LEU 39.A O no hydrogen 2.715 N/A SER 34.A N ILE 37.A O no hydrogen 2.832 N/A SER 34.A OG ILE 205.A O no hydrogen 3.564 N/A GLY 36.A N ASN 33.A OD1 no hydrogen 3.033 N/A ILE 37.A N SER 34.A O no hydrogen 2.943 N/A LEU 39.A N GLY 32.A O no hydrogen 3.134 N/A LEU 40.A N LEU 243.A O no hydrogen 2.841 N/A ARG 41.A NH1 LEU 28.A O no hydrogen 3.205 N/A LYS 42.A NZ ASP 247.A OD1 no hydrogen 3.206 N/A CYS 44.A SG LYS 49.A O no hydrogen 3.815 N/A GLY 48.A N ASP 46.A OD1 no hydrogen 3.315 N/A LYS 49.A N ASP 46.A O no hydrogen 2.933 N/A CYS 50.A SG ASP 46.A O no hydrogen 3.092 N/A VAL 52.A N ILE 68.A O no hydrogen 2.978 N/A LEU 53.A N ASP 3.A O no hydrogen 2.962 N/A VAL 54.A N ILE 66.A O no hydrogen 2.844 N/A ALA 55.A N VAL 5.A O no hydrogen 2.704 N/A LEU 56.A N ALA 64.A O no hydrogen 2.851 N/A SER 57.A N PHE 7.A O no hydrogen 3.227 N/A ASN 58.A N GLN 62.A O no hydrogen 3.081 N/A ASN 58.A ND2 GLN 62.A OE1 no hydrogen 3.071 N/A ASN 58.A ND2 ARG 134.A O no hydrogen 3.354 N/A ASN 60.A N ASN 58.A OD1 no hydrogen 3.013 N/A GLY 61.A N ASN 58.A O no hydrogen 3.087 N/A GLN 62.A N ASN 58.A OD1 no hydrogen 3.128 N/A GLN 62.A NE2 ASP 141.A OD1 no hydrogen 3.105 N/A ALA 64.A N LEU 56.A O no hydrogen 2.808 N/A GLU 65.A N GLN 79.A O no hydrogen 2.954 N/A ILE 66.A N VAL 54.A O no hydrogen 2.891 N/A ALA 67.A N GLY 77.A O no hydrogen 2.906 N/A ILE 68.A N VAL 52.A O no hydrogen 3.024 N/A ASP 69.A N TYR 74.A O no hydrogen 2.809 N/A VAL 70.A N CYS 50.A O no hydrogen 3.225 N/A THR 71.A N ASP 69.A OD1 no hydrogen 2.615 N/A THR 71.A OG1 ASP 69.A OD1 no hydrogen 2.563 N/A SER 72.A N ASP 69.A OD1 no hydrogen 3.207 N/A VAL 73.A N ASP 69.A O no hydrogen 2.717 N/A TYR 74.A N SER 72.A OG no hydrogen 3.237 N/A TYR 74.A OH ASP 89.A OD2 no hydrogen 3.144 N/A VAL 76.A N ALA 67.A O no hydrogen 3.114 N/A TYR 78.A N TYR 85.A O no hydrogen 2.928 N/A GLN 79.A N GLU 65.A O no hydrogen 2.858 N/A GLN 79.A NE2 ARG 81.A O no hydrogen 2.858 N/A VAL 80.A N ARG 83.A O no hydrogen 2.944 N/A ARG 81.A NE ASP 141.A OD2 no hydrogen 2.892 N/A ARG 81.A NH2 ASP 141.A OD1 no hydrogen 2.679 N/A ARG 83.A N VAL 80.A O no hydrogen 2.962 N/A ARG 83.A NH2 ASP 146.A OD1 no hydrogen 3.229 N/A ARG 83.A NH2 ASP 146.A OD2 no hydrogen 3.083 N/A SER 84.A N ILE 103.A O no hydrogen 3.112 N/A SER 84.A OG THR 102.A OG1 no hydrogen 2.804 N/A TYR 85.A N TYR 78.A O no hydrogen 2.908 N/A TYR 85.A OH ILE 145.A O no hydrogen 3.084 N/A PHE 86.A N THR 105.A O no hydrogen 3.079 N/A PHE 87.A N VAL 76.A O no hydrogen 3.084 N/A LYS 88.A N PHE 109.A O no hydrogen 2.964 N/A ALA 90.A N PHE 87.A O no hydrogen 2.947 N/A TYR 95.A N PRO 91.A O no hydrogen 3.078 N/A GLU 96.A N ASP 92.A O no hydrogen 3.039 N/A GLY 97.A N ALA 93.A O no hydrogen 2.812 N/A LEU 98.A N ALA 94.A O no hydrogen 2.832 N/A LYS 100.A NZ GLU 96.A O no hydrogen 2.725 N/A THR 102.A OG1 SER 84.A OG no hydrogen 2.804 N/A THR 102.A OG1 PHE 99.A O no hydrogen 2.731 N/A ILE 103.A N ASN 82.A O no hydrogen 2.871 N/A LYS 104.A NZ TYR 95.A O no hydrogen 2.656 N/A LYS 104.A NZ LEU 98.A O no hydrogen 2.816 N/A THR 105.A N SER 84.A O no hydrogen 3.048 N/A ARG 106.A NH1 ALA 90.A O no hydrogen 2.901 N/A ARG 106.A NH2 ALA 90.A O no hydrogen 3.315 N/A LEU 107.A N PHE 86.A O no hydrogen 2.674 N/A GLY 111.A N ASP 89.A OD1 no hydrogen 2.834 N/A SER 112.A OG SER 115.A OG no hydrogen 2.946 N/A TYR 113.A OH GLU 166.A OE2 no hydrogen 2.486 N/A SER 115.A N SER 112.A OG no hydrogen 3.195 N/A SER 115.A OG SER 112.A OG no hydrogen 2.946 N/A LEU 116.A N SER 112.A O no hydrogen 2.902 N/A GLU 117.A N TYR 113.A O no hydrogen 2.925 N/A GLY 118.A N PRO 114.A O no hydrogen 3.257 N/A GLY 118.A N SER 115.A O no hydrogen 3.142 N/A GLU 119.A N LEU 116.A O no hydrogen 2.911 N/A LYS 120.A N GLU 117.A O no hydrogen 2.959 N/A ALA 121.A N LEU 116.A O no hydrogen 3.080 N/A ARG 123.A NH1 GLU 195.A OE1 no hydrogen 2.915 N/A ARG 123.A NH1 ASN 196.A OD1 no hydrogen 2.907 N/A ARG 123.A NH2 ASN 196.A OD1 no hydrogen 2.993 N/A GLU 124.A N GLU 124.A OE1 no hydrogen 2.629 N/A THR 125.A N TYR 122.A O no hydrogen 2.998 N/A THR 125.A OG1 TYR 122.A O no hydrogen 3.514 N/A THR 126.A N ARG 123.A O no hydrogen 3.426 N/A THR 126.A OG1 TYR 122.A O no hydrogen 2.863 N/A LEU 128.A N ILE 185.A O no hydrogen 2.767 N/A ILE 130.A N PHE 181.A O no hydrogen 3.081 N/A LEU 133.A N GLY 129.A O no hydrogen 3.061 N/A ARG 134.A N ILE 130.A O no hydrogen 2.928 N/A ARG 134.A NE ASP 59.A OD1 no hydrogen 2.895 N/A ARG 134.A NH1 GLU 131.A OE2 no hydrogen 3.076 N/A ARG 134.A NH2 THR 9.A O no hydrogen 2.976 N/A ILE 135.A N GLU 131.A O no hydrogen 2.972 N/A GLY 136.A N PRO 132.A O no hydrogen 3.022 N/A ILE 137.A N LEU 133.A O no hydrogen 3.034 N/A LYS 138.A N ARG 134.A O no hydrogen 3.039 N/A LYS 138.A NZ GLU 142.A OE1 no hydrogen 2.612 N/A LYS 139.A N ILE 135.A O no hydrogen 2.850 N/A LEU 140.A N GLY 136.A O no hydrogen 2.997 N/A ASP 141.A N ILE 137.A O no hydrogen 3.082 N/A GLU 142.A N LYS 138.A O no hydrogen 2.931 N/A ASN 143.A N LYS 139.A O no hydrogen 2.983 N/A ASN 143.A ND2 LYS 139.A O no hydrogen 2.744 N/A ASN 143.A ND2 GLU 152.A OE2 no hydrogen 2.817 N/A ALA 144.A N ASP 141.A O no hydrogen 2.964 N/A LYS 149.A N ASN 143.A OD1 no hydrogen 2.842 N/A GLU 152.A N LYS 149.A O no hydrogen 3.115 N/A ILE 153.A N LYS 149.A O no hydrogen 3.260 N/A ALA 154.A N PRO 150.A O no hydrogen 2.883 N/A SER 155.A N THR 151.A O no hydrogen 3.072 N/A SER 155.A OG THR 151.A O no hydrogen 3.560 N/A SER 155.A OG GLU 152.A O no hydrogen 3.278 N/A SER 156.A N GLU 152.A O no hydrogen 2.997 N/A SER 156.A OG GLY 136.A O no hydrogen 3.395 N/A SER 156.A OG GLU 152.A O no hydrogen 2.798 N/A LEU 157.A N ILE 153.A O no hydrogen 2.848 N/A LEU 158.A N ALA 154.A O no hydrogen 2.955 N/A VAL 159.A N SER 155.A O no hydrogen 3.144 N/A VAL 160.A N SER 156.A O no hydrogen 3.015 N/A ILE 161.A N LEU 157.A O no hydrogen 2.654 N/A GLN 162.A N LEU 158.A O no hydrogen 3.281 N/A GLN 162.A NE2 LEU 158.A O no hydrogen 3.516 N/A MET 163.A N VAL 159.A O no hydrogen 2.907 N/A VAL 164.A N VAL 160.A O no hydrogen 2.879 N/A SER 165.A OG VAL 73.A O no hydrogen 2.623 N/A GLU 166.A N ILE 161.A O no hydrogen 3.019 N/A ALA 167.A N GLN 162.A O no hydrogen 3.130 N/A ALA 168.A N VAL 164.A O no hydrogen 2.937 N/A ARG 169.A N SER 165.A O no hydrogen 3.056 N/A ARG 169.A NE SER 72.A O no hydrogen 3.331 N/A ARG 169.A NH1 GLU 166.A OE1 no hydrogen 2.978 N/A ARG 169.A NH2 SER 72.A O no hydrogen 2.855 N/A PHE 170.A N GLU 166.A O no hydrogen 2.867 N/A THR 171.A OG1 PRO 238.A O no hydrogen 2.645 N/A PHE 172.A N LYS 239.A O no hydrogen 3.269 N/A GLU 174.A N PHE 170.A O no hydrogen 3.095 N/A ASN 175.A N THR 171.A O no hydrogen 3.030 N/A GLN 176.A N PHE 172.A O no hydrogen 3.153 N/A GLN 176.A NE2 THR 191.A OG1 no hydrogen 3.307 N/A ILE 177.A N ILE 173.A O no hydrogen 3.122 N/A ARG 178.A N GLU 174.A O no hydrogen 2.840 N/A ASN 179.A N ASN 175.A O no hydrogen 3.145 N/A ASN 180.A N ILE 177.A O no hydrogen 3.048 N/A ASN 180.A ND2 GLN 176.A O no hydrogen 2.665 N/A GLN 182.A NE2 ALA 12.A O no hydrogen 3.541 N/A GLN 183.A N ASN 180.A O no hydrogen 2.883 N/A ARG 184.A NH1 ASP 127.A OD1 no hydrogen 2.922 N/A ILE 185.A N LEU 128.A O no hydrogen 3.014 N/A ARG 186.A NE ASP 127.A OD2 no hydrogen 2.790 N/A ASN 189.A N ALA 223.A O no hydrogen 3.425 N/A ASN 189.A ND2 ALA 223.A O no hydrogen 2.479 N/A ILE 192.A N ALA 188.A O no hydrogen 3.094 N/A SER 193.A N ASN 189.A O no hydrogen 3.073 N/A SER 193.A OG ASN 189.A O no hydrogen 3.248 N/A SER 193.A OG ASN 190.A O no hydrogen 3.097 N/A LEU 194.A N ASN 190.A O no hydrogen 3.212 N/A GLU 195.A N THR 191.A O no hydrogen 3.098 N/A ASN 196.A N ILE 192.A O no hydrogen 3.013 N/A LYS 197.A N SER 193.A O no hydrogen 2.926 N/A LYS 197.A N LEU 194.A O no hydrogen 2.987 N/A TRP 198.A NE1 LEU 242.A O no hydrogen 2.861 N/A LEU 201.A N LYS 197.A O no hydrogen 2.898 N/A SER 202.A N TRP 198.A O no hydrogen 2.910 N/A SER 202.A OG TRP 198.A O no hydrogen 2.811 N/A PHE 203.A N GLY 199.A O no hydrogen 2.994 N/A GLN 204.A N LYS 200.A O no hydrogen 3.011 N/A ILE 205.A N LEU 201.A O no hydrogen 3.005 N/A ARG 206.A N SER 202.A O no hydrogen 3.142 N/A ARG 206.A NH2 VAL 246.A O no hydrogen 2.610 N/A THR 207.A N PHE 203.A O no hydrogen 3.025 N/A THR 207.A OG1 PHE 203.A O no hydrogen 2.811 N/A SER 208.A N ILE 205.A O no hydrogen 3.264 N/A SER 208.A OG HIS 35.A NE2 no hydrogen 2.698 N/A SER 208.A OG ILE 205.A O no hydrogen 2.691 N/A GLY 212.A N GLY 209.A O no hydrogen 2.867 N/A MET 213.A N ASN 211.A OD1 no hydrogen 2.910 N/A PHE 214.A N THR 231.A O no hydrogen 2.910 N/A SER 215.A OG GLN 204.A OE1 no hydrogen 2.880 N/A SER 215.A OG GLU 216.A OE1 no hydrogen 3.247 N/A GLU 216.A N GLN 204.A OE1 no hydrogen 2.985 N/A VAL 218.A N VAL 230.A O no hydrogen 2.860 N/A LEU 220.A N TYR 228.A O no hydrogen 2.839 N/A GLU 221.A N SER 193.A OG no hydrogen 3.083 N/A ARG 222.A N LYS 226.A O no hydrogen 2.837 N/A GLY 225.A N ARG 222.A O no hydrogen 2.986 N/A LYS 226.A N ASN 224.A OD1 no hydrogen 3.228 N/A LYS 226.A NZ ASN 224.A OD1 no hydrogen 3.444 N/A LYS 227.A NZ GLU 219.A OE2 no hydrogen 3.552 N/A LYS 227.A NZ GLU 221.A OE2 no hydrogen 3.221 N/A TYR 228.A N LEU 220.A O no hydrogen 2.996 N/A VAL 230.A N VAL 218.A O no hydrogen 2.758 N/A THR 231.A N GLN 235.A OE1 no hydrogen 2.996 N/A VAL 233.A N GLY 212.A O no hydrogen 2.955 N/A GLN 235.A N ALA 232.A O no hydrogen 3.082 N/A GLN 235.A NE2 THR 231.A OG1 no hydrogen 2.917 N/A VAL 236.A N VAL 233.A O no hydrogen 2.914 N/A LYS 237.A N VAL 233.A O no hydrogen 2.824 N/A LYS 237.A NZ HIS 35.A O no hydrogen 2.664 N/A LYS 239.A N VAL 236.A O no hydrogen 2.850 N/A ILE 240.A N LYS 237.A O no hydrogen 3.253 N/A ALA 241.A N ARG 169.A O no hydrogen 2.825 N/A LEU 242.A N ARG 169.A O no hydrogen 3.207 N/A LEU 243.A N PRO 38.A O no hydrogen 2.809 N/A LYS 244.A N SER 202.A OG no hydrogen 2.969 N/A