Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2r3e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N PRO 194.A O no hydrogen 2.880 N/A ARG 1.A NH1 GLU 10.A OE1 no hydrogen 3.068 N/A ARG 1.A NH2 ASP 6.A OD1 no hydrogen 3.427 N/A ARG 1.A NH2 GLU 10.A OE1 no hydrogen 3.090 N/A LEU 3.A N GLN 196.A O no hydrogen 2.843 N/A SER 4.A OG ASP 6.A OD1 no hydrogen 2.507 N/A ASP 6.A N SER 4.A OG no hydrogen 3.420 N/A ILE 7.A N SER 4.A O no hydrogen 2.900 N/A LEU 8.A N LYS 5.A O no hydrogen 2.781 N/A GLU 9.A N LYS 5.A O no hydrogen 3.144 N/A GLU 10.A N ASP 6.A O no hydrogen 3.019 N/A VAL 11.A N ILE 7.A O no hydrogen 3.041 N/A ILE 12.A N LEU 8.A O no hydrogen 2.973 N/A ARG 15.A NH2 GLY 50.A O no hydrogen 2.810 N/A ARG 15.A NH2 GLN 222.A OE1 no hydrogen 3.027 N/A SER 19.A OG PRO 16.A O no hydrogen 2.281 N/A TYR 20.A N ASN 23.A OD1 no hydrogen 3.187 N/A ASN 23.A N ASN 23.A OD1 no hydrogen 2.669 N/A PHE 24.A N LYS 21.A O no hydrogen 2.787 N/A GLY 25.A N SER 22.A O no hydrogen 2.853 N/A ARG 26.A N ASP 91.A OD2 no hydrogen 2.694 N/A VAL 27.A N LEU 53.A O no hydrogen 2.947 N/A VAL 28.A N VAL 92.A O no hydrogen 2.904 N/A LEU 29.A N THR 55.A O no hydrogen 2.853 N/A ILE 30.A N LEU 94.A O no hydrogen 2.713 N/A GLY 31.A N ILE 57.A O no hydrogen 3.146 N/A GLY 32.A N PRO 97.A O no hydrogen 2.872 N/A ASN 33.A N GLY 98.A O no hydrogen 2.924 N/A GLN 35.A N ASN 33.A OD1 no hydrogen 3.086 N/A TYR 36.A N ASN 33.A OD1 no hydrogen 2.913 N/A ALA 39.A N TYR 36.A O no hydrogen 3.054 N/A ILE 41.A N GLY 37.A O no hydrogen 3.148 N/A SER 42.A OG ALA 39.A O no hydrogen 3.510 N/A SER 42.A OG ASP 210.A O no hydrogen 2.652 N/A THR 43.A N ILE 40.A O no hydrogen 2.949 N/A THR 43.A OG1 ILE 40.A O no hydrogen 2.710 N/A GLU 44.A N ILE 41.A O no hydrogen 2.972 N/A CYS 46.A N SER 42.A O no hydrogen 2.941 N/A CYS 46.A SG THR 54.A OG1 no hydrogen 3.584 N/A ILE 47.A N THR 43.A O no hydrogen 2.976 N/A ASN 48.A N GLU 44.A O no hydrogen 3.034 N/A ASN 48.A ND2 GLU 44.A O no hydrogen 2.863 N/A SER 49.A N ALA 45.A O no hydrogen 2.910 N/A SER 49.A OG CYS 46.A O no hydrogen 2.586 N/A GLY 50.A N ILE 47.A O no hydrogen 3.169 N/A ALA 51.A N CYS 46.A O no hydrogen 3.358 N/A GLY 52.A N PHE 24.A O no hydrogen 2.862 N/A LEU 53.A N GLY 25.A O no hydrogen 3.175 N/A THR 55.A N VAL 27.A O no hydrogen 2.846 N/A ILE 57.A N LEU 29.A O no hydrogen 2.819 N/A THR 58.A N VAL 75.A O no hydrogen 2.970 N/A THR 58.A OG1 GLY 31.A O no hydrogen 2.829 N/A THR 58.A OG1 GLY 32.A O no hydrogen 2.775 N/A ASP 59.A N GLY 32.A O no hydrogen 3.219 N/A LYS 61.A N ASP 59.A OD1 no hydrogen 2.944 N/A LYS 61.A NZ ARG 34.A O no hydrogen 2.735 N/A ASN 62.A N ASP 59.A O no hydrogen 2.775 N/A ASN 62.A ND2 ASN 33.A O no hydrogen 3.092 N/A ASN 62.A ND2 THR 58.A OG1 no hydrogen 3.109 N/A HIS 63.A N VAL 60.A O no hydrogen 3.161 N/A HIS 63.A NE2 THR 58.A O no hydrogen 3.051 N/A LEU 66.A N ASN 62.A O no hydrogen 3.096 N/A HIS 67.A N HIS 63.A O no hydrogen 2.919 N/A HIS 67.A NE2 ALA 73.A O no hydrogen 2.742 N/A ALA 68.A N GLY 64.A O no hydrogen 2.989 N/A ARG 69.A N PRO 65.A O no hydrogen 3.350 N/A ARG 69.A N LEU 66.A O no hydrogen 3.260 N/A ARG 69.A NH2 GLU 44.A OE1 no hydrogen 3.087 N/A CYS 70.A N LEU 66.A O no hydrogen 2.616 N/A GLU 72.A N GLU 72.A OE1 no hydrogen 2.672 N/A ALA 73.A N CYS 70.A O no hydrogen 3.247 N/A VAL 75.A N VAL 56.A O no hydrogen 2.890 N/A GLY 76.A N GLU 79.A OE2 no hydrogen 2.838 N/A GLU 78.A N GLU 78.A OE1 no hydrogen 2.827 N/A GLU 79.A N GLY 76.A O no hydrogen 3.102 N/A THR 80.A OG1.B GLU 78.A O no hydrogen 3.556 N/A LEU 83.A N GLU 79.A O no hydrogen 2.864 N/A THR 84.A N THR 80.A O no hydrogen 3.097 N/A THR 84.A OG1 THR 80.A O no hydrogen 2.613 N/A ASN 85.A N VAL 81.A O no hydrogen 2.998 N/A VAL 86.A N LEU 82.A O no hydrogen 2.923 N/A VAL 87.A N LEU 83.A O no hydrogen 3.136 N/A GLU 88.A N THR 84.A O no hydrogen 3.095 N/A GLN 89.A N ASN 85.A O no hydrogen 3.102 N/A ALA 90.A N VAL 87.A O no hydrogen 3.330 N/A ASP 91.A N ARG 26.A O no hydrogen 2.727 N/A VAL 92.A N ARG 26.A O no hydrogen 3.118 N/A ILE 93.A N TRP 120.A O no hydrogen 2.925 N/A LEU 94.A N VAL 28.A O no hydrogen 2.917 N/A ILE 95.A N ILE 122.A O no hydrogen 2.876 N/A GLY 96.A N ILE 30.A O no hydrogen 2.913 N/A LEU 99.A N GLY 96.A O no hydrogen 2.873 N/A THR 104.A OG1 ASP 102.A OD1 no hydrogen 2.434 N/A ALA 105.A N ASP 102.A OD1 no hydrogen 3.193 N/A GLN 106.A N ASP 102.A O no hydrogen 2.988 N/A GLN 106.A NE2 LEU 101.A O no hydrogen 3.124 N/A GLN 107.A N ALA 103.A O no hydrogen 2.834 N/A ILE 108.A N THR 104.A O no hydrogen 2.945 N/A LEU 109.A N ALA 105.A O no hydrogen 3.159 N/A LYS 110.A N GLN 106.A O no hydrogen 2.925 N/A LEU 112.A N LEU 109.A O no hydrogen 2.906 N/A ALA 113.A N LYS 110.A O no hydrogen 2.879 N/A GLN 114.A NE2 VAL 111.A O no hydrogen 3.047 N/A GLN 114.A NE2 GLN 119.A OE1 no hydrogen 3.183 N/A HIS 115.A N LEU 112.A O no hydrogen 3.314 N/A HIS 115.A NE2 GLN 119.A O no hydrogen 2.696 N/A GLN 116.A N GLN 119.A OE1 no hydrogen 3.312 N/A GLN 116.A NE2 GLN 118.A OE1 no hydrogen 2.868 N/A LYS 117.A NZ GLU 142.A OE2 no hydrogen 2.909 N/A GLN 119.A N GLN 116.A O no hydrogen 2.944 N/A GLN 119.A NE2 VAL 87.A O no hydrogen 2.793 N/A GLN 119.A NE2 ALA 90.A O no hydrogen 2.680 N/A TRP 120.A N ASP 91.A O no hydrogen 3.005 N/A LEU 121.A N LYS 143.A O no hydrogen 2.877 N/A ILE 122.A N ILE 93.A O no hydrogen 2.826 N/A ILE 123.A N VAL 145.A O no hydrogen 2.780 N/A ASP 124.A N ILE 95.A O no hydrogen 2.942 N/A SER 126.A OG GLY 100.A O no hydrogen 2.922 N/A ALA 127.A N ASP 124.A O no hydrogen 3.003 N/A ILE 128.A N GLY 125.A O no hydrogen 2.750 N/A LEU 130.A N SER 126.A O no hydrogen 2.985 N/A PHE 131.A N ALA 127.A O no hydrogen 2.903 N/A SER 132.A N ILE 128.A O no hydrogen 2.836 N/A SER 132.A OG THR 129.A O no hydrogen 2.780 N/A GLN 133.A N THR 129.A O no hydrogen 3.021 N/A GLN 133.A N LEU 130.A O no hydrogen 2.908 N/A GLY 134.A N PHE 131.A O no hydrogen 3.278 N/A GLU 142.A N GLU 142.A OE1 no hydrogen 2.795 N/A LYS 143.A N TYR 140.A O no hydrogen 3.159 N/A VAL 144.A N PRO 141.A O no hydrogen 3.118 N/A VAL 145.A N LEU 121.A O no hydrogen 2.664 N/A PHE 146.A N THR 178.A O no hydrogen 2.833 N/A THR 147.A N ILE 123.A O no hydrogen 3.177 N/A THR 147.A OG1 ILE 123.A O no hydrogen 3.497 N/A THR 147.A OG1 ASP 124.A OD1 no hydrogen 2.616 N/A HIS 149.A N GLU 151.A OE1 no hydrogen 3.039 N/A GLN 150.A NE2 GLN 163.A OE1 no hydrogen 2.941 N/A TRP 152.A N HIS 149.A O no hydrogen 3.001 N/A TRP 152.A NE1 ASN 168.A OD1 no hydrogen 2.899 N/A GLN 153.A N GLN 150.A O no hydrogen 3.065 N/A LEU 155.A N GLU 151.A O no hydrogen 2.931 N/A SER 156.A N TRP 152.A O no hydrogen 2.736 N/A SER 156.A OG TRP 152.A O no hydrogen 2.665 N/A HIS 157.A N GLN 153.A O no hydrogen 2.772 N/A LEU 158.A N SER 156.A OG no hydrogen 2.907 N/A GLN 162.A N PRO 159.A O no hydrogen 2.915 N/A GLN 163.A N ILE 160.A O no hydrogen 3.044 N/A GLN 163.A NE2 GLN 150.A O no hydrogen 2.818 N/A GLN 163.A NE2 LEU 158.A O no hydrogen 3.000 N/A THR 164.A N GLN 162.A O no hydrogen 2.712 N/A ASN 167.A N THR 164.A OG1 no hydrogen 3.357 N/A ASN 167.A ND2 GLN 162.A O no hydrogen 2.925 N/A ASN 168.A N THR 164.A O no hydrogen 2.715 N/A ASN 168.A ND2 GLN 163.A O no hydrogen 3.099 N/A GLN 169.A N LEU 165.A O no hydrogen 3.002 N/A ARG 170.A N ALA 166.A O no hydrogen 3.095 N/A GLN 171.A N ASN 167.A O no hydrogen 2.999 N/A GLN 172.A N ASN 168.A O no hydrogen 2.952 N/A GLN 172.A NE2 GLN 169.A O no hydrogen 3.619 N/A GLN 172.A NE2 GLN 169.A OE1 no hydrogen 2.634 N/A ALA 173.A N GLN 169.A O no hydrogen 2.842 N/A LYS 174.A N ARG 170.A O no hydrogen 3.026 N/A LEU 175.A N GLN 171.A O no hydrogen 3.271 N/A GLY 176.A N GLN 172.A O no hydrogen 2.741 N/A SER 177.A OG PRO 141.A O no hydrogen 2.867 N/A THR 178.A N VAL 144.A O no hydrogen 3.042 N/A ILE 179.A N PHE 189.A O no hydrogen 2.905 N/A VAL 180.A N PHE 146.A O no hydrogen 2.755 N/A LEU 181.A N THR 187.A O no hydrogen 2.852 N/A LYS 182.A N PRO 148.A O no hydrogen 2.791 N/A LYS 182.A NZ HIS 149.A NE2.B no hydrogen 3.019 N/A SER 183.A N THR 186.A OG1 no hydrogen 3.371 N/A ARG 185.A NH1 HIS 184.A O no hydrogen 2.882 N/A THR 186.A OG1 SER 183.A O no hydrogen 3.504 N/A THR 187.A N LEU 181.A O no hydrogen 3.151 N/A THR 187.A OG1 ARG 185.A O no hydrogen 3.406 N/A THR 187.A OG1 GLN 196.A OE1 no hydrogen 2.983 N/A ILE 188.A N PHE 195.A O no hydrogen 2.830 N/A PHE 189.A N ILE 179.A O no hydrogen 2.893 N/A HIS 190.A NE2 GLU 193.A O no hydrogen 2.919 N/A PHE 195.A N ILE 188.A O no hydrogen 2.976 N/A GLN 196.A N ARG 1.A O no hydrogen 2.809 N/A GLN 196.A NE2 ARG 185.A O no hydrogen 3.052 N/A GLN 196.A NE2 ASN 197.A O no hydrogen 3.045 N/A ASN 197.A N THR 186.A O no hydrogen 2.795 N/A ASN 197.A ND2 SER 238.A OG no hydrogen 2.899 N/A THR 198.A OG1 LEU 3.A O no hydrogen 2.709 N/A GLY 200.A N ASP 242.A OD1 no hydrogen 3.175 N/A GLY 200.A N ASP 242.A OD2 no hydrogen 3.145 N/A ASN 201.A ND2 ASP 242.A OD1 no hydrogen 2.763 N/A THR 208.A N THR 205.A O no hydrogen 3.280 N/A THR 208.A OG1 THR 205.A O no hydrogen 2.963 N/A THR 211.A N GLY 207.A O no hydrogen 3.042 N/A THR 211.A OG1 GLY 207.A O no hydrogen 3.304 N/A LEU 212.A N THR 208.A O no hydrogen 3.138 N/A ALA 213.A N GLY 209.A O no hydrogen 3.003 N/A GLY 214.A N ASP 210.A O no hydrogen 3.104 N/A ILE 215.A N THR 211.A O no hydrogen 3.016 N/A ILE 216.A N LEU 212.A O no hydrogen 2.863 N/A ALA 217.A N ALA 213.A O no hydrogen 3.002 N/A GLY 218.A N GLY 214.A O no hydrogen 2.913 N/A PHE 219.A N ILE 215.A O no hydrogen 2.844 N/A LEU 220.A N ILE 216.A O no hydrogen 3.018 N/A ALA 221.A N ALA 217.A O no hydrogen 2.994 N/A GLN 222.A N PHE 219.A O no hydrogen 3.098 N/A GLN 222.A NE2 SER 49.A O no hydrogen 2.841 N/A GLN 222.A NE2 GLY 218.A O no hydrogen 2.982 N/A PHE 223.A N PHE 219.A O no hydrogen 2.897 N/A THR 226.A N LYS 224.A O no hydrogen 2.873 N/A THR 226.A OG1 GLU 228.A OE1 no hydrogen 3.418 N/A GLU 228.A N GLU 228.A OE1 no hydrogen 2.913 N/A THR 229.A N THR 226.A O no hydrogen 3.001 N/A THR 229.A OG1 LYS 224.A O no hydrogen 2.614 N/A ALA 231.A N ILE 227.A O no hydrogen 3.099 N/A GLY 232.A N GLU 228.A O no hydrogen 2.913 N/A ALA 233.A N THR 229.A O no hydrogen 3.107 N/A VAL 234.A N ILE 230.A O no hydrogen 3.066 N/A TYR 235.A N ALA 231.A O no hydrogen 2.942 N/A LEU 236.A N GLY 232.A O no hydrogen 2.905 N/A HIS 237.A N ALA 233.A O no hydrogen 2.961 N/A SER 238.A N VAL 234.A O no hydrogen 3.301 N/A SER 238.A OG VAL 234.A O no hydrogen 3.413 N/A SER 238.A OG TYR 235.A O no hydrogen 3.330 N/A LEU 239.A N TYR 235.A O no hydrogen 2.891 N/A ILE 240.A N LEU 236.A O no hydrogen 2.956 N/A GLY 241.A N HIS 237.A O no hydrogen 3.077 N/A ASP 242.A N SER 238.A O no hydrogen 2.780 N/A ASP 243.A N LEU 239.A O no hydrogen 2.969 N/A LEU 244.A N ILE 240.A O no hydrogen 2.809 N/A ALA 245.A N GLY 241.A O no hydrogen 2.867 N/A LYS 246.A N ASP 243.A O no hydrogen 3.254 N/A LYS 246.A NZ ASP 243.A OD1 no hydrogen 2.950 N/A THR 247.A N LEU 244.A O no hydrogen 2.894 N/A THR 247.A OG1 LEU 244.A O no hydrogen 3.074 N/A THR 247.A OG1 ASP 248.A OD1 no hydrogen 3.123 N/A ASP 248.A N LEU 244.A O no hydrogen 2.913 N/A VAL 251.A N GLY 203.A O no hydrogen 2.824 N/A LYS 255.A N LEU 252.A O no hydrogen 2.938 N/A LYS 255.A NZ ASP 248.A OD2 no hydrogen 2.673 N/A ILE 256.A N PRO 253.A O no hydrogen 2.977 N/A SER 257.A N PRO 253.A O no hydrogen 3.152 N/A GLN 258.A N THR 254.A O no hydrogen 2.899 N/A ALA 259.A N LYS 255.A O no hydrogen 3.262 N/A ALA 259.A N ILE 256.A O no hydrogen 3.127 N/A LEU 260.A N SER 257.A O no hydrogen 3.097 N/A THR 262.A OG1 ALA 259.A O no hydrogen 3.226 N/A TYR 263.A N ALA 259.A O no hydrogen 3.180 N/A TYR 263.A OH ASP 243.A OD2 no hydrogen 2.517 N/A LYS 265.A N THR 262.A O no hydrogen 3.307 N/A TYR 266.A N TYR 263.A O no hydrogen 3.389 N/A GLN 268.A N ILE 12.A O no hydrogen 2.674 N/A