Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1y1k_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N SER 78.A O no hydrogen 3.123 N/A GLN 2.A NE2 ASN 76.A OD1 no hydrogen 3.131 N/A SER 3.A N GLY 80.A O no hydrogen 2.898 N/A SER 3.A OG.A GLY 80.A O no hydrogen 3.174 N/A TYR 6.A OH VAL 203.A O no hydrogen 2.618 N/A VAL 8.A N PRO 5.A O no hydrogen 3.057 N/A GLN 10.A N TYR 6.A O no hydrogen 2.800 N/A GLN 10.A NE2 ASP 181.A O no hydrogen 3.175 N/A GLN 10.A NE2 ASN 184.A OD1 no hydrogen 2.755 N/A ILE 11.A N GLY 7.A O no hydrogen 3.183 N/A LYS 12.A N SER 9.A O no hydrogen 2.958 N/A ALA 13.A N VAL 8.A O no hydrogen 3.225 N/A ALA 15.A N LYS 12.A O no hydrogen 3.191 N/A HIS 17.A N ALA 13.A O no hydrogen 3.106 N/A HIS 17.A NE2 VAL 84.A O no hydrogen 2.801 N/A SER 18.A N PRO 14.A O no hydrogen 2.907 N/A SER 18.A OG.A PRO 14.A O no hydrogen 3.169 N/A SER 18.A OG.B ALA 15.A O no hydrogen 2.989 N/A GLN 19.A N ALA 15.A O no hydrogen 3.239 N/A GLN 19.A NE2 ALA 15.A O no hydrogen 3.355 N/A GLY 20.A N HIS 17.A O no hydrogen 2.933 N/A TYR 21.A N LEU 16.A O no hydrogen 2.990 N/A THR 22.A OG1 SER 87.A OG no hydrogen 2.718 N/A GLY 23.A N SER 236.A OG no hydrogen 3.023 N/A VAL 26.A N GLY 23.A O no hydrogen 3.090 N/A LYS 27.A N ASP 120.A OD2 no hydrogen 2.853 N/A VAL 28.A N SER 89.A O no hydrogen 2.827 N/A ALA 29.A N VAL 121.A O no hydrogen 2.899 N/A VAL 30.A N TYR 91.A O no hydrogen 2.913 N/A ILE 31.A N ASN 123.A O no hydrogen 3.088 N/A ASP 32.A N VAL 93.A O no hydrogen 2.984 N/A SER 33.A N ASP 32.A OD1 no hydrogen 2.729 N/A SER 33.A OG ASP 60.A OD1 no hydrogen 2.816 N/A ILE 35.A N PRO 57.A O no hydrogen 3.084 N/A ASP 36.A N THR 66.A OG1 no hydrogen 2.935 N/A SER 37.A N PHE 58.A O no hydrogen 3.380 N/A SER 38.A N ASP 36.A OD1 no hydrogen 3.013 N/A SER 38.A OG.A ASP 36.A OD1 no hydrogen 2.524 N/A SER 38.A OG.A ASP 36.A OD2 no hydrogen 3.339 N/A HIS 39.A N ASP 36.A O no hydrogen 3.191 N/A HIS 39.A NE2 LYS 213.A O no hydrogen 2.937 N/A ASP 41.A N HIS 39.A ND1 no hydrogen 2.960 N/A LEU 42.A N HIS 39.A O no hydrogen 3.142 N/A ALA 45.A N LEU 90.A O no hydrogen 2.701 N/A ALA 48.A N ALA 92.A O no hydrogen 2.962 N/A SER 49.A OG GLU 54.A O no hydrogen 2.646 N/A MET 50.A N LYS 94.A O no hydrogen 2.750 N/A VAL 51.A N SER 49.A OG no hydrogen 3.123 N/A GLU 54.A N VAL 51.A O no hydrogen 3.053 N/A PHE 58.A N ASN 56.A OD1 no hydrogen 2.912 N/A GLN 59.A N ASN 56.A O no hydrogen 3.447 N/A ASN 61.A ND2 GLU 54.A OE1 no hydrogen 3.192 N/A ASN 62.A N ASP 60.A OD1 no hydrogen 3.049 N/A ASN 62.A ND2 ALA 98.A O no hydrogen 3.014 N/A SER 63.A N ASP 60.A OD1 no hydrogen 2.864 N/A SER 63.A OG.A ASN 62.A O no hydrogen 2.692 N/A SER 63.A OG.A TYR 217.A OH no hydrogen 2.610 N/A HIS 64.A N ASN 62.A OD1 no hydrogen 3.032 N/A HIS 64.A ND1 ASP 32.A OD1 no hydrogen 2.691 N/A HIS 64.A NE2 SER 221.A OG no hydrogen 2.754 N/A GLY 65.A N SER 33.A OG no hydrogen 2.911 N/A THR 66.A N ASP 60.A OD2 no hydrogen 2.987 N/A THR 66.A OG1 ASP 60.A OD2 no hydrogen 2.720 N/A HIS 67.A N SER 63.A O no hydrogen 3.160 N/A HIS 67.A NE2 GLY 215.A O no hydrogen 2.952 N/A VAL 68.A N HIS 64.A O no hydrogen 2.980 N/A ALA 69.A N GLY 65.A O no hydrogen 2.855 N/A GLY 70.A N THR 66.A O no hydrogen 3.035 N/A THR 71.A N HIS 67.A O no hydrogen 3.190 N/A VAL 72.A N VAL 68.A O no hydrogen 3.135 N/A ALA 73.A N ALA 69.A O no hydrogen 2.866 N/A ALA 74.A N GLY 70.A O no hydrogen 2.947 N/A LEU 75.A N ASP 41.A O no hydrogen 2.877 N/A ASN 77.A N GLN 2.A OE1 no hydrogen 2.972 N/A ASN 77.A ND2 ASP 41.A OD1 no hydrogen 3.304 N/A ILE 79.A N ASN 77.A OD1 no hydrogen 3.048 N/A VAL 81.A N ASP 41.A OD2 no hydrogen 3.037 N/A LEU 82.A N SER 3.A O no hydrogen 3.109 N/A GLY 83.A N ALA 74.A O no hydrogen 2.869 N/A VAL 84.A N THR 71.A O no hydrogen 3.003 N/A ALA 85.A N VAL 72.A O no hydrogen 2.760 N/A SER 87.A N THR 22.A O no hydrogen 2.901 N/A SER 87.A OG THR 22.A OG1 no hydrogen 2.718 N/A ALA 88.A N ALA 85.A O no hydrogen 2.994 N/A SER 89.A N VAL 26.A O no hydrogen 2.856 N/A TYR 91.A N VAL 28.A O no hydrogen 2.849 N/A ALA 92.A N GLY 46.A O no hydrogen 2.919 N/A VAL 93.A N VAL 30.A O no hydrogen 3.058 N/A LYS 94.A N ALA 48.A O no hydrogen 2.938 N/A LYS 94.A NZ GLU 54.A OE1 no hydrogen 2.980 N/A LYS 94.A NZ ASN 56.A O no hydrogen 3.093 N/A LYS 94.A NZ GLN 59.A O no hydrogen 2.870 N/A VAL 95.A N ASP 32.A O no hydrogen 2.775 N/A LEU 96.A N ASP 32.A O no hydrogen 3.119 N/A GLY 97.A N SER 101.A O no hydrogen 3.005 N/A ALA 98.A N GLU 54.A OE2 no hydrogen 2.706 N/A GLY 100.A N GLY 97.A O no hydrogen 2.832 N/A SER 101.A N ASP 99.A OD1 no hydrogen 3.070 N/A SER 101.A OG ASP 99.A OD1 no hydrogen 2.908 N/A TYR 104.A OH SER 130.A O no hydrogen 2.357 N/A TRP 106.A N GLN 103.A O no hydrogen 2.903 N/A ILE 107.A N GLN 103.A O no hydrogen 3.289 N/A ILE 108.A N TYR 104.A O no hydrogen 2.944 N/A ASN 109.A N SER 105.A O no hydrogen 2.916 N/A GLY 110.A N TRP 106.A O no hydrogen 2.998 N/A ILE 111.A N ILE 107.A O no hydrogen 2.922 N/A GLU 112.A N ILE 108.A O no hydrogen 2.860 N/A TRP 113.A N ASN 109.A O no hydrogen 2.950 N/A ALA 114.A N GLY 110.A O no hydrogen 2.945 N/A ILE 115.A N ILE 111.A O no hydrogen 3.001 N/A ALA 116.A N GLU 112.A O no hydrogen 2.955 N/A ASN 117.A N TRP 113.A O no hydrogen 2.923 N/A ASN 117.A ND2 TRP 113.A O no hydrogen 2.947 N/A ASN 118.A N ILE 115.A O no hydrogen 3.136 N/A MET 119.A N ALA 114.A O no hydrogen 3.051 N/A ASP 120.A N LYS 27.A O no hydrogen 2.838 N/A VAL 121.A N LYS 27.A O no hydrogen 3.019 N/A ILE 122.A N VAL 148.A O no hydrogen 2.831 N/A ASN 123.A N ALA 29.A O no hydrogen 2.879 N/A ASN 123.A ND2 SER 125.A OG no hydrogen 3.012 N/A MET 124.A N VAL 150.A O no hydrogen 2.812 N/A SER 125.A OG SER 221.A O no hydrogen 2.729 N/A GLY 128.A N TYR 167.A O no hydrogen 2.897 N/A SER 132.A N TYR 171.A OH no hydrogen 3.044 N/A LEU 135.A N SER 132.A OG no hydrogen 2.991 N/A LYS 136.A N SER 132.A O no hydrogen 2.999 N/A LYS 136.A NZ ASP 140.A OD2 no hydrogen 2.777 N/A ALA 137.A N ALA 133.A O no hydrogen 2.866 N/A ALA 138.A N ALA 134.A O no hydrogen 3.096 N/A VAL 139.A N LEU 135.A O no hydrogen 3.057 N/A ASP 140.A N LYS 136.A O no hydrogen 2.929 N/A LYS 141.A N ALA 137.A O no hydrogen 2.840 N/A LYS 141.A NZ GLU 112.A OE1 no hydrogen 2.898 N/A ALA 142.A N ALA 138.A O no hydrogen 2.988 N/A VAL 143.A N VAL 139.A O no hydrogen 3.014 N/A ALA 144.A N ASP 140.A O no hydrogen 2.846 N/A SER 145.A N LYS 141.A O no hydrogen 2.930 N/A SER 145.A OG LYS 141.A O no hydrogen 2.813 N/A GLY 146.A N VAL 143.A O no hydrogen 2.998 N/A VAL 147.A N ALA 142.A O no hydrogen 2.987 N/A VAL 148.A N ASP 120.A O no hydrogen 3.005 N/A VAL 150.A N ILE 122.A O no hydrogen 2.938 N/A ALA 151.A N ILE 175.A O no hydrogen 2.934 N/A ALA 152.A N MET 124.A O no hydrogen 3.028 N/A ALA 153.A N VAL 177.A O no hydrogen 2.860 N/A GLY 154.A N THR 220.A OG1 no hydrogen 3.116 N/A GLU 156.A N SER 191.A OG no hydrogen 3.076 N/A GLY 157.A N PHE 189.A O no hydrogen 2.915 N/A SER 162.A N SER 159.A O no hydrogen 3.019 N/A SER 163.A OG VAL 192.A O no hydrogen 3.464 N/A SER 163.A OG GLU 195.A OE1 no hydrogen 2.706 N/A THR 164.A N VAL 192.A O no hydrogen 2.821 N/A THR 164.A OG1 GLY 157.A O no hydrogen 2.715 N/A VAL 165.A N SER 163.A OG no hydrogen 3.384 N/A GLY 166.A N ALA 153.A O no hydrogen 2.977 N/A TYR 167.A N GLY 128.A O no hydrogen 2.812 N/A LYS 170.A N GLY 166.A O no hydrogen 2.795 N/A TYR 171.A N PRO 168.A O no hydrogen 3.037 N/A SER 173.A OG ASP 140.A OD1 no hydrogen 2.821 N/A VAL 174.A N TYR 171.A O no hydrogen 3.041 N/A ILE 175.A N VAL 149.A O no hydrogen 2.985 N/A VAL 177.A N ALA 151.A O no hydrogen 2.961 N/A GLY 178.A N VAL 198.A O no hydrogen 2.925 N/A ALA 179.A N SER 190.A OG no hydrogen 2.977 N/A VAL 180.A N ALA 200.A O no hydrogen 2.974 N/A ASP 181.A N GLN 185.A O no hydrogen 2.913 N/A SER 183.A N ASP 181.A OD1 no hydrogen 2.968 N/A SER 183.A OG.B ASP 181.A OD1 no hydrogen 2.734 N/A ASN 184.A N ASP 181.A O no hydrogen 2.997 N/A GLN 185.A N ASP 181.A OD1 no hydrogen 3.019 N/A ARG 186.A N TYR 263.A OH no hydrogen 3.027 N/A ARG 186.A NH2 SER 188.A O no hydrogen 3.097 N/A ARG 186.A NH2 SER 190.A O no hydrogen 2.821 N/A ALA 187.A N ALA 179.A O no hydrogen 2.915 N/A SER 190.A N ALA 187.A O no hydrogen 2.980 N/A SER 191.A N GLY 154.A O no hydrogen 2.888 N/A SER 191.A OG THR 164.A O no hydrogen 2.886 N/A VAL 192.A N THR 164.A OG1 no hydrogen 3.033 N/A GLY 193.A N PHE 261.A O no hydrogen 2.902 N/A GLU 195.A N GLU 195.A OE1 no hydrogen 2.816 N/A LEU 196.A N GLY 193.A O no hydrogen 3.083 N/A ASP 197.A N ALA 176.A O no hydrogen 2.972 N/A VAL 198.A N ALA 176.A O no hydrogen 3.318 N/A MET 199.A N GLY 266.A O no hydrogen 2.812 N/A ALA 200.A N GLY 178.A O no hydrogen 2.963 N/A GLY 202.A N VAL 180.A O no hydrogen 2.880 N/A SER 204.A N ASN 218.A OD1 no hydrogen 2.720 N/A ILE 205.A N TYR 217.A O no hydrogen 2.860 N/A SER 207.A N GLY 215.A O no hydrogen 3.057 N/A SER 207.A OG HIS 67.A O no hydrogen 2.676 N/A THR 208.A N SER 207.A OG no hydrogen 2.783 N/A THR 208.A OG1 THR 66.A O no hydrogen 2.842 N/A LEU 209.A N LYS 213.A O no hydrogen 2.859 N/A GLY 211.A N ASP 36.A OD2 no hydrogen 2.930 N/A LYS 213.A N LEU 209.A O no hydrogen 3.088 N/A LYS 213.A NZ.B GLY 211.A O no hydrogen 3.049 N/A GLY 215.A N SER 207.A O no hydrogen 2.970 N/A TYR 217.A N ILE 205.A O no hydrogen 3.010 N/A TYR 217.A OH SER 63.A OG.A no hydrogen 2.610 N/A GLY 219.A N GLY 202.A O no hydrogen 2.862 N/A THR 220.A N ASN 155.A OD1 no hydrogen 2.989 N/A THR 220.A OG1 ASN 155.A OD1 no hydrogen 2.867 N/A SER 221.A OG HIS 64.A NE2 no hydrogen 2.754 N/A SER 221.A OG SER 125.A O no hydrogen 3.170 N/A MET 222.A N GLY 219.A O no hydrogen 3.026 N/A SER 224.A N THR 220.A O no hydrogen 3.029 N/A SER 224.A OG ASN 123.A OD1 no hydrogen 2.769 N/A HIS 226.A N ALA 223.A O no hydrogen 3.017 N/A HIS 226.A ND1 MET 222.A O no hydrogen 2.856 N/A ALA 228.A N SER 224.A O no hydrogen 2.942 N/A GLY 229.A N PRO 225.A O no hydrogen 2.821 N/A ALA 230.A N HIS 226.A O no hydrogen 2.922 N/A ALA 231.A N VAL 227.A O no hydrogen 2.897 N/A ALA 232.A N ALA 228.A O no hydrogen 3.084 N/A LEU 233.A N GLY 229.A O no hydrogen 2.996 N/A ILE 234.A N ALA 230.A O no hydrogen 2.937 N/A LEU 235.A N ALA 231.A O no hydrogen 2.979 N/A SER 236.A N ALA 232.A O no hydrogen 2.949 N/A SER 236.A OG ALA 232.A O no hydrogen 3.570 N/A SER 236.A OG LEU 233.A O no hydrogen 2.830 N/A LYS 237.A N LEU 233.A O no hydrogen 3.169 N/A LYS 237.A N ILE 234.A O no hydrogen 3.174 N/A LYS 237.A NZ GLN 19.A OE1 no hydrogen 2.779 N/A LYS 237.A NZ ALA 274.A O no hydrogen 3.195 N/A HIS 238.A N ILE 234.A O no hydrogen 2.808 N/A HIS 238.A NE2 ALA 274.A O no hydrogen 2.827 N/A TRP 241.A N HIS 238.A O no hydrogen 2.999 N/A ASN 243.A ND2 VAL 143.A O no hydrogen 2.898 N/A ASN 243.A ND2 VAL 147.A O no hydrogen 2.951 N/A THR 244.A N ASN 243.A OD1 no hydrogen 3.007 N/A GLN 245.A N THR 242.A OG1 no hydrogen 3.045 N/A VAL 246.A N THR 242.A O no hydrogen 2.895 N/A ARG 247.A N ASN 243.A O no hydrogen 2.867 N/A ARG 247.A NE GLU 251.A OE2 no hydrogen 2.839 N/A ARG 247.A NH1 PRO 172.A O no hydrogen 2.886 N/A ARG 247.A NH2 PRO 172.A O no hydrogen 3.295 N/A SER 248.A N THR 244.A O no hydrogen 2.937 N/A SER 248.A OG.A THR 244.A O no hydrogen 3.129 N/A SER 248.A OG.B THR 244.A O no hydrogen 3.352 N/A SER 248.A OG.B GLN 245.A O no hydrogen 3.124 N/A SER 249.A N GLN 245.A O no hydrogen 2.832 N/A SER 249.A OG.A GLN 245.A O no hydrogen 2.696 N/A SER 249.A OG.B VAL 246.A O no hydrogen 2.816 N/A LEU 250.A N VAL 246.A O no hydrogen 3.110 N/A GLU 251.A N ARG 247.A O no hydrogen 2.980 N/A ASN 252.A N SER 248.A O no hydrogen 2.843 N/A THR 253.A OG1 SER 249.A O no hydrogen 2.697 N/A THR 253.A OG1 ASN 269.A O no hydrogen 3.525 N/A THR 254.A OG1 GLU 251.A O no hydrogen 3.524 N/A THR 254.A OG1 LYS 265.A O no hydrogen 2.606 N/A THR 254.A OG1 HIS 280.A ND1 no hydrogen 3.018 N/A THR 255.A N LEU 267.A O no hydrogen 2.866 N/A PHE 261.A N ASP 259.A OD2 no hydrogen 2.887 N/A TYR 262.A N ASP 259.A O no hydrogen 2.994 N/A TYR 263.A N ASP 259.A O no hydrogen 2.970 N/A GLY 264.A N SER 260.A O no hydrogen 2.884 N/A LYS 265.A N ASP 197.A O no hydrogen 2.865 N/A LYS 265.A NZ ASP 197.A OD1 no hydrogen 2.915 N/A GLY 266.A N TYR 263.A O no hydrogen 2.938 N/A LEU 267.A N THR 255.A O no hydrogen 2.913 N/A ILE 268.A N MET 199.A O no hydrogen 3.182 N/A VAL 270.A N ILE 11.A O no hydrogen 2.950 N/A ALA 272.A N ASN 269.A OD1 no hydrogen 3.016 N/A ALA 273.A N ASN 269.A O no hydrogen 2.951 N/A ALA 274.A N VAL 270.A O no hydrogen 3.002 N/A GLN 275.A N ALA 272.A O no hydrogen 3.191 N/A HIS 278.A NE2 ALA 273.A O no hydrogen 2.892 N/A HIS 280.A ND1 THR 254.A O no hydrogen 2.844 N/A