Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pby_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A NE2 SER 52.A O no hydrogen 2.871 N/A GLU 7.A N ASN 4.A OD1 no hydrogen 2.997 N/A LEU 8.A N ASN 4.A O no hydrogen 2.891 N/A VAL 9.A N GLN 5.A O no hydrogen 2.976 N/A ARG 10.A N GLU 6.A O no hydrogen 3.247 N/A PHE 11.A N GLU 7.A O no hydrogen 3.150 N/A VAL 12.A N LEU 8.A O no hydrogen 2.960 N/A GLU 13.A N VAL 9.A O no hydrogen 2.991 N/A GLU 14.A N ARG 10.A O no hydrogen 3.022 N/A ALA 15.A N PHE 11.A O no hydrogen 2.853 N/A LYS 16.A N VAL 12.A O no hydrogen 2.997 N/A LYS 16.A NZ ASP 55.A OD2 no hydrogen 2.627 N/A GLN 17.A N GLU 14.A O no hydrogen 3.210 N/A GLN 17.A NE2 GLU 13.A O no hydrogen 3.059 N/A TYR 18.A N ALA 15.A O no hydrogen 2.993 N/A ALA 19.A N LYS 16.A O no hydrogen 2.933 N/A TYR 21.A N TYR 18.A O no hydrogen 2.846 N/A GLY 22.A N ALA 19.A O no hydrogen 3.188 N/A LYS 23.A N LEU 266.A O no hydrogen 3.043 N/A ALA 30.A N SER 143.A OG no hydrogen 3.206 N/A LEU 31.A N ILE 28.A O no hydrogen 2.836 N/A GLY 32.A N PRO 29.A O no hydrogen 3.068 N/A LYS 33.A NZ GLU 139.A OE2 no hydrogen 3.304 N/A ALA 34.A N LEU 31.A O no hydrogen 3.075 N/A ASN 37.A N ASN 35.A OD1 no hydrogen 2.932 N/A GLU 38.A N ASN 35.A O no hydrogen 3.047 N/A LEU 39.A N ASP 55.A OD2 no hydrogen 3.116 N/A SER 40.A N PHE 262.A O no hydrogen 2.912 N/A ILE 41.A N ALA 53.A O no hydrogen 2.955 N/A ALA 42.A N GLY 260.A O no hydrogen 2.916 N/A ILE 43.A N VAL 51.A O no hydrogen 2.707 N/A TYR 44.A N GLY 258.A O no hydrogen 2.826 N/A THR 45.A N GLU 49.A O no hydrogen 2.936 N/A THR 45.A OG1 ASP 47.A OD1 no hydrogen 2.555 N/A THR 45.A OG1 GLU 49.A O no hydrogen 3.503 N/A ASP 48.A N THR 45.A O no hydrogen 2.823 N/A GLU 49.A N ASP 47.A OD1 no hydrogen 3.138 N/A VAL 51.A N ILE 43.A O no hydrogen 2.881 N/A ALA 53.A N ILE 41.A O no hydrogen 2.964 N/A ASP 55.A N LEU 39.A O no hydrogen 2.906 N/A VAL 56.A N GLY 54.A O no hydrogen 2.889 N/A VAL 58.A N ASP 55.A O no hydrogen 3.358 N/A VAL 60.A N MET 183.A O no hydrogen 2.768 N/A LEU 62.A N ILE 181.A O no hydrogen 2.758 N/A GLN 63.A N CYS 179.A O no hydrogen 2.822 N/A GLN 63.A NE2 THR 61.A OG1 no hydrogen 2.870 N/A GLN 63.A NE2 GLU 144.A OE2 no hydrogen 2.828 N/A ILE 65.A N LEU 62.A O no hydrogen 3.119 N/A SER 66.A N GLN 63.A O no hydrogen 2.932 N/A SER 66.A OG GLN 63.A O no hydrogen 2.757 N/A LYS 67.A N SER 64.A O no hydrogen 3.014 N/A LYS 67.A NZ SER 64.A OG no hydrogen 3.044 N/A LYS 67.A NZ MET 97.A O no hydrogen 3.116 N/A LYS 67.A NZ ASN 99.A OD1 no hydrogen 2.554 N/A ILE 68.A N ILE 65.A O no hydrogen 3.117 N/A ALA 70.A N SER 66.A O no hydrogen 2.998 N/A LEU 71.A N LYS 67.A O no hydrogen 3.006 N/A ALA 72.A N ILE 68.A O no hydrogen 3.123 N/A LEU 73.A N ILE 69.A O no hydrogen 2.907 N/A VAL 74.A N ALA 70.A O no hydrogen 2.763 N/A LEU 75.A N LEU 71.A O no hydrogen 2.805 N/A ILE 76.A N ALA 72.A O no hydrogen 3.079 N/A ASP 77.A N LEU 73.A O no hydrogen 3.190 N/A ARG 78.A N VAL 74.A O no hydrogen 2.796 N/A ARG 78.A NE MET 108.A O no hydrogen 3.096 N/A ARG 78.A NH2 MET 108.A O no hydrogen 3.033 N/A GLY 79.A N LEU 75.A O no hydrogen 2.695 N/A VAL 83.A N GLY 79.A O no hydrogen 3.237 N/A PHE 84.A N GLU 80.A O no hydrogen 3.070 N/A HIS 85.A N ASP 81.A O no hydrogen 3.240 N/A HIS 85.A N GLU 82.A O no hydrogen 3.164 N/A LYS 86.A N VAL 83.A O no hydrogen 2.983 N/A LYS 86.A NZ ILE 163.A O no hydrogen 2.528 N/A VAL 87.A N VAL 83.A O no hydrogen 2.980 N/A GLY 88.A N LEU 94.A O no hydrogen 2.753 N/A ASN 95.A ND2 GLU 90.A O no hydrogen 2.750 N/A MET 97.A N ASN 95.A OD1 no hydrogen 2.739 N/A ILE 98.A N ASN 95.A O no hydrogen 3.273 N/A ASN 99.A ND2 ASN 151.A OD1 no hydrogen 3.102 N/A ALA 102.A N ILE 98.A O no hydrogen 2.928 N/A LEU 103.A N ASN 99.A O no hydrogen 3.128 N/A VAL 104.A N ALA 100.A O no hydrogen 3.463 N/A VAL 105.A N GLY 101.A O no hydrogen 3.043 N/A THR 106.A N ALA 102.A O no hydrogen 2.789 N/A THR 106.A OG1 ALA 102.A O no hydrogen 3.118 N/A THR 106.A OG1 GLN 178.A OE1 no hydrogen 2.734 N/A SER 107.A N LEU 103.A O no hydrogen 2.991 N/A SER 107.A OG VAL 104.A O no hydrogen 2.792 N/A MET 108.A N VAL 105.A O no hydrogen 2.991 N/A ILE 109.A N THR 106.A O no hydrogen 3.129 N/A GLY 112.A N GLU 116.A OE1 no hydrogen 3.077 N/A SER 113.A OG SER 115.A OG no hydrogen 3.251 N/A SER 115.A OG SER 113.A OG no hydrogen 3.251 N/A GLU 116.A N SER 113.A OG no hydrogen 3.361 N/A ARG 117.A N SER 113.A O no hydrogen 2.964 N/A ARG 117.A NE GLY 111.A O no hydrogen 2.949 N/A ARG 117.A NH2 GLY 111.A O no hydrogen 3.430 N/A LEU 118.A N VAL 114.A O no hydrogen 2.911 N/A GLU 119.A N SER 115.A O no hydrogen 2.932 N/A ARG 120.A N GLU 116.A O no hydrogen 3.060 N/A ARG 120.A NE ASP 77.A OD2 no hydrogen 2.720 N/A ARG 120.A NH2 ASP 77.A OD1 no hydrogen 2.618 N/A ARG 120.A NH2 ASP 77.A OD2 no hydrogen 3.159 N/A LEU 121.A N ARG 117.A O no hydrogen 3.180 N/A LEU 122.A N LEU 118.A O no hydrogen 2.798 N/A ALA 123.A N GLU 119.A O no hydrogen 2.869 N/A PHE 124.A N ARG 120.A O no hydrogen 3.246 N/A VAL 125.A N LEU 121.A O no hydrogen 2.909 N/A ARG 126.A N LEU 122.A O no hydrogen 2.880 N/A ARG 126.A NE ILE 134.A O no hydrogen 2.839 N/A ARG 126.A NH1 GLU 119.A OE2 no hydrogen 3.015 N/A ARG 126.A NH2 ILE 134.A O no hydrogen 2.966 N/A ARG 127.A N ALA 123.A O no hydrogen 3.120 N/A LEU 128.A N PHE 124.A O no hydrogen 3.069 N/A ALA 129.A N VAL 125.A O no hydrogen 2.948 N/A GLY 130.A N ARG 127.A O no hydrogen 3.379 N/A ASN 131.A N ARG 126.A O no hydrogen 3.127 N/A ASN 131.A ND2 ASP 187.A OD1 no hydrogen 3.439 N/A ASN 131.A ND2 ASP 187.A OD2 no hydrogen 2.940 N/A ARG 133.A N ASN 131.A OD1 no hydrogen 3.015 N/A ILE 134.A N ASN 131.A O no hydrogen 3.488 N/A SER 137.A N ALA 180.A O no hydrogen 2.732 N/A VAL 140.A N SER 137.A OG no hydrogen 3.217 N/A ALA 141.A N SER 137.A O no hydrogen 2.942 N/A ARG 142.A N ASP 138.A O no hydrogen 3.045 N/A SER 143.A N GLU 139.A O no hydrogen 2.956 N/A GLU 144.A N VAL 140.A O no hydrogen 2.908 N/A PHE 145.A N ALA 141.A O no hydrogen 2.999 N/A GLU 146.A N ARG 142.A O no hydrogen 3.055 N/A THR 147.A N GLU 144.A O no hydrogen 3.103 N/A THR 147.A OG1 SER 143.A O no hydrogen 2.725 N/A THR 147.A OG1 GLU 144.A O no hydrogen 3.139 N/A PHE 149.A N THR 147.A O no hydrogen 3.095 N/A ARG 152.A N ALA 148.A O no hydrogen 3.245 N/A ARG 152.A NH2 PHE 145.A O no hydrogen 2.904 N/A SER 153.A N PHE 149.A O no hydrogen 2.883 N/A LEU 154.A N LEU 150.A O no hydrogen 3.019 N/A CYS 155.A N ASN 151.A O no hydrogen 2.936 N/A CYS 155.A SG ASN 151.A O no hydrogen 3.426 N/A TYR 156.A N ARG 152.A O no hydrogen 3.020 N/A PHE 157.A N SER 153.A O no hydrogen 3.083 N/A LEU 158.A N LEU 154.A O no hydrogen 2.833 N/A LYS 159.A N CYS 155.A O no hydrogen 2.947 N/A LYS 159.A NZ GLU 166.A O no hydrogen 2.822 N/A GLN 160.A N TYR 156.A O no hydrogen 2.903 N/A HIS 161.A N PHE 157.A O no hydrogen 3.106 N/A ARG 162.A N LYS 159.A O no hydrogen 2.962 N/A ILE 163.A N LEU 158.A O no hydrogen 2.975 N/A GLU 170.A N ASP 167.A OD2 no hydrogen 3.089 N/A LEU 171.A N ASP 167.A O no hydrogen 2.884 N/A MET 172.A N VAL 168.A O no hydrogen 2.704 N/A GLU 173.A N GLU 169.A O no hydrogen 2.907 N/A LEU 174.A N GLU 170.A O no hydrogen 3.071 N/A TYR 175.A N LEU 171.A O no hydrogen 2.871 N/A THR 176.A N MET 172.A O no hydrogen 3.111 N/A THR 176.A OG1 MET 172.A O no hydrogen 2.933 N/A THR 176.A OG1 GLU 173.A O no hydrogen 3.306 N/A LYS 177.A N GLU 173.A O no hydrogen 3.263 N/A LYS 177.A NZ GLU 173.A OE2 no hydrogen 2.730 N/A GLN 178.A N LEU 174.A O no hydrogen 2.844 N/A GLN 178.A NE2 SER 66.A OG no hydrogen 3.225 N/A CYS 179.A N TYR 175.A O no hydrogen 2.901 N/A CYS 179.A SG GLN 63.A O no hydrogen 4.004 N/A CYS 179.A SG TYR 175.A O no hydrogen 3.393 N/A ALA 180.A N LYS 177.A O no hydrogen 3.173 N/A ILE 181.A N GLN 178.A O no hydrogen 3.465 N/A GLU 182.A N SER 135.A O no hydrogen 2.979 N/A MET 183.A N VAL 60.A O no hydrogen 2.986 N/A CYS 185.A SG SER 40.A OG no hydrogen 3.609 N/A LEU 188.A N THR 184.A O no hydrogen 3.136 N/A ALA 189.A N CYS 185.A O no hydrogen 2.922 N/A ARG 190.A N ILE 186.A O no hydrogen 3.246 N/A ARG 190.A NH1 LEU 128.A O no hydrogen 2.873 N/A ARG 190.A NH1 ASP 201.A OD1 no hydrogen 3.280 N/A ARG 190.A NH2 ASP 201.A OD1 no hydrogen 2.496 N/A ILE 191.A N ASP 187.A O no hydrogen 3.214 N/A GLY 192.A N LEU 188.A O no hydrogen 3.040 N/A LEU 193.A N ALA 189.A O no hydrogen 2.870 N/A VAL 194.A N ARG 190.A O no hydrogen 3.047 N/A LEU 195.A N ILE 191.A O no hydrogen 3.199 N/A ALA 196.A N GLY 192.A O no hydrogen 2.941 N/A LEU 197.A N LEU 193.A O no hydrogen 2.914 N/A ASP 198.A N LEU 195.A O no hydrogen 2.975 N/A GLY 199.A N VAL 194.A O no hydrogen 2.837 N/A ARG 200.A N LEU 197.A O no hydrogen 3.312 N/A ASP 201.A N GLU 206.A O no hydrogen 2.627 N/A HIS 203.A N ASP 201.A OD2 no hydrogen 3.007 N/A HIS 203.A ND1 ASP 48.A OD2 no hydrogen 3.236 N/A SER 204.A N ASP 201.A OD2 no hydrogen 2.789 N/A SER 204.A OG ASP 201.A OD2 no hydrogen 2.951 N/A SER 205.A N ASP 201.A O no hydrogen 2.858 N/A LEU 208.A N GLY 199.A O no hydrogen 2.611 N/A MET 209.A N GLY 199.A O no hydrogen 3.224 N/A VAL 213.A N PRO 210.A O no hydrogen 3.034 N/A ALA 214.A N PRO 210.A O no hydrogen 3.049 N/A ARG 215.A N LEU 211.A O no hydrogen 2.992 N/A ILE 216.A N ASP 212.A O no hydrogen 2.990 N/A CYS 217.A N VAL 213.A O no hydrogen 2.988 N/A CYS 217.A SG ILE 68.A O no hydrogen 3.881 N/A CYS 217.A SG VAL 213.A O no hydrogen 3.396 N/A LYS 218.A N ALA 214.A O no hydrogen 3.124 N/A LYS 218.A NZ LEU 195.A O no hydrogen 3.048 N/A LYS 218.A NZ ASP 198.A OD1 no hydrogen 2.661 N/A THR 219.A N ARG 215.A O no hydrogen 2.979 N/A THR 219.A OG1 ILE 216.A O no hydrogen 2.768 N/A PHE 220.A N ILE 216.A O no hydrogen 3.271 N/A MET 221.A N CYS 217.A O no hydrogen 2.987 N/A VAL 222.A N LYS 218.A O no hydrogen 3.015 N/A VAL 222.A N THR 219.A O no hydrogen 3.003 N/A THR 223.A N THR 219.A O no hydrogen 2.885 N/A THR 223.A OG1 THR 219.A O no hydrogen 3.306 N/A CYS 224.A N PHE 220.A O no hydrogen 2.858 N/A CYS 224.A SG ASN 95.A OD1 no hydrogen 3.848 N/A CYS 224.A SG PHE 220.A O no hydrogen 3.720 N/A CYS 224.A SG THR 223.A OG1 no hydrogen 3.332 N/A MET 226.A N SER 230.A OG no hydrogen 3.098 N/A SER 229.A N MET 226.A O no hydrogen 3.120 N/A SER 229.A OG MET 226.A O no hydrogen 3.353 N/A PHE 233.A N SER 229.A O no hydrogen 3.000 N/A ALA 234.A N SER 230.A O no hydrogen 2.843 N/A ILE 235.A N GLY 231.A O no hydrogen 3.245 N/A LYS 236.A N GLU 232.A O no hydrogen 2.973 N/A VAL 237.A N PHE 233.A O no hydrogen 2.683 N/A GLY 238.A N PHE 233.A O no hydrogen 2.908 N/A ALA 241.A N MET 221.A O no hydrogen 3.246 N/A LYS 242.A N LEU 250.A O no hydrogen 2.805 N/A LYS 242.A NZ GLY 225.A O no hydrogen 3.007 N/A LYS 242.A NZ SER 243.A O no hydrogen 2.826 N/A SER 243.A N GLY 225.A O no hydrogen 2.983 N/A SER 243.A OG ASN 271.A OD1 no hydrogen 2.658 N/A GLY 244.A N GLY 248.A O no hydrogen 3.033 N/A SER 246.A OG THR 61.A O no hydrogen 2.578 N/A GLY 247.A N GLY 244.A O no hydrogen 2.922 N/A ILE 249.A N VAL 261.A O no hydrogen 2.844 N/A LEU 250.A N LYS 242.A O no hydrogen 2.924 N/A ALA 251.A N ILE 259.A O no hydrogen 2.865 N/A ALA 252.A N PRO 240.A O no hydrogen 3.027 N/A VAL 253.A N CYS 257.A O no hydrogen 2.879 N/A GLY 255.A N ALA 196.A O no hydrogen 2.835 N/A ARG 256.A N VAL 253.A O no hydrogen 2.756 N/A ARG 256.A NH1 SER 287.A O no hydrogen 2.739 N/A ARG 256.A NH2 TYR 286.A O no hydrogen 2.987 N/A CYS 257.A N VAL 253.A O no hydrogen 3.158 N/A CYS 257.A SG TYR 3.A OH no hydrogen 3.497 N/A GLY 258.A N TYR 44.A O no hydrogen 2.985 N/A ILE 259.A N ALA 251.A O no hydrogen 2.881 N/A GLY 260.A N ALA 42.A O no hydrogen 3.035 N/A VAL 261.A N ILE 249.A O no hydrogen 2.899 N/A PHE 262.A N SER 40.A O no hydrogen 3.037 N/A GLY 263.A N GLY 247.A O no hydrogen 2.896 N/A LEU 266.A N LYS 23.A O no hydrogen 2.957 N/A ASP 267.A N ASN 271.A O no hydrogen 2.784 N/A LYS 269.A N ASP 267.A OD1 no hydrogen 2.851 N/A LYS 269.A NZ ASN 228.A O no hydrogen 3.011 N/A GLY 270.A N ASP 267.A O no hydrogen 3.113 N/A ASN 271.A N ASP 267.A OD1 no hydrogen 3.005 N/A ASN 271.A ND2 MET 226.A O no hydrogen 2.989 N/A SER 272.A OG GLY 263.A O no hydrogen 2.574 N/A LEU 273.A N ALA 265.A O no hydrogen 2.831 N/A THR 274.A OG1 SER 272.A OG no hydrogen 3.357 N/A GLY 275.A N SER 272.A OG no hydrogen 2.851 N/A VAL 276.A N SER 272.A O no hydrogen 2.968 N/A LYS 277.A N LEU 273.A O no hydrogen 3.169 N/A LEU 278.A N THR 274.A O no hydrogen 3.165 N/A LEU 279.A N GLY 275.A O no hydrogen 2.946 N/A GLU 280.A N VAL 276.A O no hydrogen 2.754 N/A ARG 281.A N LYS 277.A O no hydrogen 3.012 N/A LEU 282.A N LEU 278.A O no hydrogen 2.869 N/A SER 283.A N LEU 279.A O no hydrogen 2.872 N/A SER 283.A OG VAL 237.A O no hydrogen 2.611 N/A LYS 284.A N GLU 280.A O no hydrogen 3.189 N/A THR 285.A N ARG 281.A O no hydrogen 3.003 N/A THR 285.A OG1 ARG 281.A O no hydrogen 3.458 N/A TYR 286.A N LEU 282.A O no hydrogen 2.934 N/A LEU 288.A N SER 283.A O no hydrogen 3.041 N/A ILE 290.A N GLY 238.A O no hydrogen 2.881 N/A PHE 291.A N SER 289.A OG no hydrogen 3.225 N/A