Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4r31_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A OH VAL 7.A O no hydrogen 2.891 N/A SER 5.A OG TYR 1.A OH no hydrogen 3.316 N/A SER 5.A OG VAL 7.A O no hydrogen 2.726 N/A SER 5.A OG LEU 12.A O no hydrogen 3.203 N/A GLU 6.A N LEU 12.A O no hydrogen 2.909 N/A VAL 7.A N SER 5.A OG no hydrogen 3.142 N/A HIS 9.A N GLU 79.A OE1 no hydrogen 2.842 N/A HIS 9.A ND1 GLU 79.A OE2 no hydrogen 2.733 N/A LEU 10.A N GLU 79.A OE1 no hydrogen 3.110 N/A GLY 11.A N TYR 1.A OH no hydrogen 3.206 N/A LYS 14.A N GLU 6.A OE1 no hydrogen 2.937 N/A LYS 17.A N ALA 15.A O no hydrogen 3.096 N/A LYS 17.A NZ GLU 41.A OE2 no hydrogen 2.650 N/A ALA 19.A N LEU 16.A O no hydrogen 3.029 N/A ALA 22.A N THR 87.A O no hydrogen 2.860 N/A VAL 23.A N VAL 62.A O no hydrogen 2.812 N/A ILE 24.A N LEU 89.A O no hydrogen 2.882 N/A ALA 29.A N ASP 27.A OD1 no hydrogen 2.998 N/A ARG 30.A N ASP 27.A O no hydrogen 2.913 N/A ARG 30.A NH1 GLU 233.A OE1 no hydrogen 2.760 N/A ARG 30.A NH2 GLU 233.A OE1 no hydrogen 3.185 N/A ARG 30.A NH2 GLU 233.A OE2 no hydrogen 3.237 N/A SER 31.A N PRO 28.A O no hydrogen 3.421 N/A SER 31.A OG THR 50.A O no hydrogen 2.758 N/A ILE 34.A N ARG 30.A O no hydrogen 3.157 N/A ALA 35.A N SER 31.A O no hydrogen 2.950 N/A GLN 36.A N GLU 32.A O no hydrogen 2.919 N/A ARG 37.A N ILE 34.A O no hydrogen 3.062 N/A ARG 37.A NH2 GLN 234.A O no hydrogen 3.419 N/A ARG 37.A NH2 GLN 234.A OE1 no hydrogen 2.432 N/A ASP 38.A N TYR 55.A O no hydrogen 2.866 N/A GLU 41.A N LEU 53.A O no hydrogen 2.786 N/A LEU 43.A N SER 51.A O no hydrogen 2.838 N/A ALA 44.A N SER 51.A O no hydrogen 3.315 N/A SER 45.A OG.A THR 50.A OG1 no hydrogen 3.104 N/A SER 45.A OG.B THR 50.A OG1 no hydrogen 2.630 N/A SER 46.A N PHE 49.A O no hydrogen 3.010 N/A SER 46.A OG HIS 9.A O no hydrogen 3.491 N/A GLU 48.A N GLU 48.A OE2 no hydrogen 2.889 N/A PHE 49.A N SER 46.A O no hydrogen 2.819 N/A THR 50.A N SER 65.A OG no hydrogen 2.813 N/A THR 50.A OG1 SER 45.A OG.A no hydrogen 3.104 N/A THR 50.A OG1 SER 45.A OG.B no hydrogen 2.630 N/A SER 51.A N ALA 44.A O no hydrogen 2.830 N/A SER 51.A OG ALA 44.A O no hydrogen 3.265 N/A TRP 52.A N VAL 63.A O no hydrogen 2.858 N/A LEU 53.A N GLU 41.A O no hydrogen 2.748 N/A GLY 54.A N VAL 61.A O no hydrogen 2.935 N/A TYR 55.A N ASP 38.A O no hydrogen 2.882 N/A LEU 56.A N GLU 59.A O no hydrogen 2.926 N/A GLU 59.A N LEU 56.A O no hydrogen 2.835 N/A VAL 61.A N GLY 54.A O no hydrogen 2.683 N/A VAL 62.A N ILE 21.A O no hydrogen 3.106 N/A VAL 63.A N TRP 52.A O no hydrogen 2.847 N/A CYS 64.A N VAL 23.A O no hydrogen 2.997 N/A CYS 64.A SG SER 65.A O no hydrogen 3.528 N/A SER 65.A N THR 50.A O no hydrogen 3.075 N/A SER 65.A OG GLU 48.A O no hydrogen 2.673 N/A THR 66.A N PRO 25.A O no hydrogen 3.016 N/A THR 66.A OG1 GLY 67.A O no hydrogen 2.751 N/A GLY 67.A N GLY 26.A O no hydrogen 2.926 N/A GLY 69.A N GLU 195.A OE2 no hydrogen 2.937 N/A SER 72.A OG THR 66.A O no hydrogen 2.771 N/A SER 72.A OG ILE 68.A O no hydrogen 3.143 N/A SER 72.A OG GLY 69.A O no hydrogen 3.205 N/A VAL 73.A N GLY 69.A O no hydrogen 3.090 N/A SER 74.A N GLY 70.A O no hydrogen 2.764 N/A SER 74.A OG PRO 71.A O no hydrogen 2.822 N/A ILE 75.A N PRO 71.A O no hydrogen 3.335 N/A CYS 76.A N SER 72.A O no hydrogen 3.087 N/A CYS 76.A SG SER 65.A O no hydrogen 4.038 N/A VAL 77.A N VAL 73.A O no hydrogen 2.919 N/A GLU 78.A N SER 74.A O no hydrogen 3.122 N/A GLU 79.A N ILE 75.A O no hydrogen 3.049 N/A LEU 80.A N CYS 76.A O no hydrogen 2.970 N/A ALA 81.A N VAL 77.A O no hydrogen 2.842 N/A GLN 82.A N GLU 78.A O no hydrogen 3.016 N/A GLN 82.A NE2 GLU 78.A OE2 no hydrogen 2.741 N/A LEU 83.A N GLU 79.A O no hydrogen 3.232 N/A LEU 83.A N LEU 80.A O no hydrogen 3.033 N/A GLY 84.A N ALA 81.A O no hydrogen 3.066 N/A VAL 85.A N LEU 80.A O no hydrogen 3.070 N/A GLY 86.A N LYS 20.A O no hydrogen 2.843 N/A THR 87.A N LYS 20.A O no hydrogen 3.201 N/A PHE 88.A N LYS 208.A O no hydrogen 2.734 N/A LEU 89.A N ALA 22.A O no hydrogen 2.895 N/A ARG 90.A N GLY 210.A O no hydrogen 2.943 N/A ARG 90.A NH1 ILE 24.A O no hydrogen 3.112 N/A ARG 90.A NH1 THR 66.A OG1 no hydrogen 2.886 N/A GLY 92.A N VAL 211.A O no hydrogen 3.252 N/A THR 94.A N GLY 213.A O no hydrogen 2.879 N/A THR 94.A OG1 GLY 95.A O no hydrogen 3.031 N/A THR 94.A OG1 TYR 193.A O no hydrogen 2.862 N/A ALA 96.A N VAL 216.A O no hydrogen 2.931 N/A GLN 98.A NE2 GLN 187.A O no hydrogen 3.012 N/A GLN 98.A NE2 VAL 191.A O no hydrogen 2.849 N/A ILE 101.A N GLN 98.A O no hydrogen 3.194 N/A ASN 102.A N ASP 105.A OD2 no hydrogen 2.920 N/A GLY 104.A N VAL 214.A O no hydrogen 2.807 N/A ASP 105.A N ASN 102.A O no hydrogen 2.989 N/A LEU 107.A N ALA 212.A O no hydrogen 2.815 N/A VAL 108.A N TYR 151.A O no hydrogen 2.884 N/A THR 109.A OG1 THR 155.A OG1 no hydrogen 2.719 N/A THR 110.A N GLY 153.A O no hydrogen 2.888 N/A ALA 112.A N ALA 129.A O no hydrogen 2.887 N/A VAL 113.A N THR 155.A O no hydrogen 2.782 N/A ARG 114.A NE SER 119.A OG no hydrogen 2.934 N/A ARG 114.A NH1 PRO 124.A O no hydrogen 2.762 N/A ARG 114.A NH1 TYR 127.A O no hydrogen 2.760 N/A ARG 114.A NH2 SER 119.A OG no hydrogen 3.133 N/A ARG 114.A NH2 ALA 123.A O no hydrogen 2.954 N/A LEU 115.A N VAL 113.A O no hydrogen 3.028 N/A LEU 115.A N SER 157.A O no hydrogen 2.965 N/A SER 119.A N ASP 116.A OD2 no hydrogen 2.846 N/A SER 119.A OG ASP 116.A OD1 no hydrogen 2.600 N/A SER 119.A OG ASP 116.A OD2 no hydrogen 3.196 N/A ARG 120.A N GLY 117.A O no hydrogen 3.084 N/A HIS 121.A N ALA 118.A O no hydrogen 2.828 N/A PHE 122.A N SER 119.A O no hydrogen 2.945 N/A ALA 123.A N SER 119.A O no hydrogen 3.149 N/A GLU 126.A N GLU 126.A OE1 no hydrogen 2.808 N/A TYR 127.A N PRO 124.A O no hydrogen 3.063 N/A ALA 131.A N THR 110.A O no hydrogen 2.858 N/A ASP 132.A N ALA 209.A O no hydrogen 2.858 N/A SER 134.A OG ASP 132.A OD2 no hydrogen 2.623 N/A CYS 135.A N ASP 132.A OD2 no hydrogen 2.971 N/A CYS 135.A SG ASP 132.A OD2 no hydrogen 3.509 N/A THR 136.A N ASP 132.A O no hydrogen 3.083 N/A THR 136.A OG1 ASP 132.A O no hydrogen 2.894 N/A ASN 137.A N.A PHE 133.A O no hydrogen 2.928 N/A ASN 137.A N.B PHE 133.A O no hydrogen 2.942 N/A ALA 138.A N SER 134.A O no hydrogen 2.939 N/A LEU 139.A N CYS 135.A O no hydrogen 2.961 N/A TYR 140.A N THR 136.A O no hydrogen 2.970 N/A SER 141.A N ASN 137.A O.A no hydrogen 2.859 N/A SER 141.A N ASN 137.A O.B no hydrogen 2.790 N/A SER 141.A OG ASN 137.A O.A no hydrogen 2.814 N/A SER 141.A OG ASN 137.A O.B no hydrogen 2.877 N/A ALA 142.A N ALA 138.A O no hydrogen 2.877 N/A ALA 143.A N LEU 139.A O no hydrogen 3.037 N/A VAL 144.A N TYR 140.A O no hydrogen 2.992 N/A ALA 145.A N SER 141.A O no hydrogen 2.945 N/A GLN 146.A N ALA 143.A O no hydrogen 2.873 N/A GLN 146.A NE2 ALA 238.A O no hydrogen 3.111 N/A GLY 147.A N VAL 144.A O no hydrogen 3.148 N/A ILE 148.A N ALA 143.A O no hydrogen 3.008 N/A TYR 151.A N VAL 106.A O no hydrogen 2.978 N/A GLY 153.A N VAL 108.A O no hydrogen 3.072 N/A THR 155.A N GLY 111.A O no hydrogen 3.045 N/A THR 155.A OG1 THR 109.A OG1 no hydrogen 2.719 N/A THR 155.A OG1 ASN 192.A OD1 no hydrogen 2.684 N/A ALA 156.A N ASN 192.A O no hydrogen 2.794 N/A SER 157.A N VAL 113.A O no hydrogen 3.009 N/A SER 157.A OG GLU 194.A OE1 no hydrogen 3.062 N/A SER 158.A N GLU 194.A O no hydrogen 2.856 N/A SER 158.A OG THR 160.A O no hydrogen 2.726 N/A ASP 159.A N LEU 115.A O no hydrogen 3.022 N/A THR 160.A N SER 158.A OG no hydrogen 3.115 N/A GLY 164.A N THR 160.A OG1 no hydrogen 2.766 N/A GLN 165.A N TYR 162.A O no hydrogen 3.132 N/A GLN 165.A NE2 THR 160.A O no hydrogen 3.190 N/A GLU 166.A N PRO 163.A O no hydrogen 2.842 N/A ARG 167.A N TYR 162.A O no hydrogen 3.039 N/A ARG 167.A NE PHE 161.A O no hydrogen 2.734 N/A ARG 167.A NH2 PHE 161.A O no hydrogen 3.555 N/A TYR 168.A OH GLU 166.A OE2 no hydrogen 2.671 N/A THR 170.A N TYR 168.A O no hydrogen 2.880 N/A SER 172.A OG LYS 174.A O no hydrogen 3.454 N/A GLY 173.A N THR 170.A OG1 no hydrogen 3.020 N/A LYS 174.A N SER 172.A OG no hydrogen 3.114 N/A TYR 179.A N TYR 176.A O no hydrogen 2.993 N/A GLN 180.A N TYR 176.A O no hydrogen 3.191 N/A GLN 180.A N PRO 177.A O no hydrogen 3.115 N/A GLN 180.A NE2 VAL 175.A O no hydrogen 2.745 N/A GLY 181.A N GLU 166.A OE2 no hydrogen 2.836 N/A SER 182.A N TYR 179.A O no hydrogen 3.199 N/A SER 182.A OG TYR 179.A O no hydrogen 2.755 N/A LEU 183.A N GLU 166.A OE1 no hydrogen 2.984 N/A LYS 184.A NZ ASP 188.A OD1 no hydrogen 3.146 N/A GLN 185.A N GLY 181.A O no hydrogen 3.072 N/A TRP 186.A N SER 182.A O no hydrogen 3.043 N/A GLN 187.A N LEU 183.A O no hydrogen 2.924 N/A GLN 187.A NE2 ILE 97.A O no hydrogen 2.794 N/A ASP 188.A N LYS 184.A O no hydrogen 2.913 N/A LEU 189.A N GLN 185.A O no hydrogen 3.086 N/A LEU 189.A N TRP 186.A O no hydrogen 3.102 N/A ASN 190.A N GLN 187.A O no hydrogen 3.047 N/A VAL 191.A N TRP 186.A O no hydrogen 3.007 N/A ASN 192.A ND2 THR 94.A OG1 no hydrogen 3.028 N/A ASN 192.A ND2 TYR 193.A O no hydrogen 3.472 N/A GLU 194.A N ALA 156.A O no hydrogen 3.008 N/A SER 196.A N GLU 194.A OE1 no hydrogen 3.164 N/A SER 196.A OG GLU 194.A OE1 no hydrogen 2.745 N/A ALA 197.A N SER 157.A OG no hydrogen 3.058 N/A THR 198.A OG1 ASP 116.A OD2 no hydrogen 2.651 N/A LEU 199.A N GLU 195.A O no hydrogen 2.995 N/A PHE 200.A N SER 196.A O no hydrogen 2.759 N/A THR 201.A N ALA 197.A O no hydrogen 3.046 N/A THR 201.A OG1 ALA 197.A O no hydrogen 2.685 N/A CYS 202.A SG LEU 199.A O no hydrogen 3.271 N/A ALA 203.A N PHE 200.A O no hydrogen 3.018 N/A ALA 204.A N THR 201.A O no hydrogen 3.021 N/A GLY 206.A N ALA 203.A O no hydrogen 3.412 N/A LEU 207.A N CYS 202.A O no hydrogen 2.731 N/A LYS 208.A N GLY 86.A O no hydrogen 2.872 N/A LYS 208.A NZ SER 134.A OG no hydrogen 2.837 N/A GLY 210.A N PHE 88.A O no hydrogen 3.150 N/A ALA 212.A N LEU 107.A O no hydrogen 2.944 N/A GLY 213.A N GLY 92.A O no hydrogen 2.977 N/A VAL 214.A N ASP 105.A O no hydrogen 2.854 N/A ILE 215.A N THR 94.A O no hydrogen 2.844 N/A ASN 217.A ND2 GLN 98.A O no hydrogen 2.806 N/A ASN 217.A ND2 ILE 101.A O no hydrogen 2.596 N/A ARG 218.A N ALA 96.A O no hydrogen 3.201 N/A ARG 218.A NH1 GLN 165.A O no hydrogen 2.621 N/A ARG 218.A NH2 GLN 165.A O no hydrogen 3.039 N/A ARG 218.A NH2 GLU 166.A O no hydrogen 3.269 N/A THR 219.A N ASN 217.A OD1 no hydrogen 2.777 N/A THR 219.A OG1 ASN 217.A OD1 no hydrogen 2.632 N/A GLN 220.A N ASN 217.A O no hydrogen 3.041 N/A GLN 220.A NE2 PRO 99.A O no hydrogen 3.162 N/A GLN 220.A NE2 ILE 101.A O no hydrogen 3.442 N/A GLN 220.A NE2 ASN 102.A OD1 no hydrogen 3.483 N/A ILE 229.A N ASN 225.A O no hydrogen 3.214 N/A LYS 230.A N GLU 226.A O no hydrogen 2.871 N/A SER 231.A N ALA 227.A O no hydrogen 2.869 N/A THR 232.A N THR 228.A O no hydrogen 2.940 N/A THR 232.A OG1 THR 228.A O no hydrogen 2.647 N/A GLU 233.A N ILE 229.A O no hydrogen 3.076 N/A GLN 234.A N LYS 230.A O no hydrogen 3.130 N/A LYS 235.A N SER 231.A O no hydrogen 2.920 N/A LYS 235.A NZ GLY 104.A O no hydrogen 2.746 N/A ALA 236.A N THR 232.A O no hydrogen 3.128 N/A VAL 237.A N GLU 233.A O no hydrogen 3.153 N/A ALA 238.A N GLN 234.A O no hydrogen 2.931 N/A VAL 239.A N LYS 235.A O no hydrogen 3.001 N/A VAL 240.A N ALA 236.A O no hydrogen 3.017 N/A ILE 241.A N VAL 237.A O no hydrogen 2.958 N/A GLU 242.A N ALA 238.A O no hydrogen 3.131 N/A ALA 243.A N VAL 239.A O no hydrogen 2.913 N/A ALA 244.A N VAL 240.A O no hydrogen 2.995 N/A ARG 245.A N ILE 241.A O no hydrogen 3.028 N/A ARG 245.A NH1 GLU 57.A OE2 no hydrogen 3.079 N/A ARG 246.A N GLU 242.A O no hydrogen 3.023 N/A LEU 247.A N ALA 243.A O no hydrogen 2.901 N/A ILE 248.A N ALA 244.A O no hydrogen 2.851 N/A SER 249.A N ARG 245.A O no hydrogen 2.977 N/A SER 249.A OG ARG 245.A O no hydrogen 3.551 N/A SER 249.A OG ARG 246.A O no hydrogen 3.543 N/A ALA 250.A N ARG 246.A O no hydrogen 2.973 N/A GLY 251.A N LEU 247.A O no hydrogen 3.195 N/A GLY 251.A N ILE 248.A O no hydrogen 3.188 N/A ARG 252.A N SER 249.A O no hydrogen 3.303 N/A