Protein Data Bank File : 1cmr Title : CURAREMIMETIC PROTEIN 15-MAR-96 1CMR Number of Amino Acid Residues : 31 Amino Acid Sequence : 1 2 3 4 5 6 7 8 9 10 0 CYS THR THR SER LYS GLU CYS TRP SER VAL 10 CYS GLN ARG LEU HIS ASN THR SER LYS GLY 20 TRP CYS ASP HIS ARG GLY CYS ILE CYS GLU 30 SER Main and Side Chain Dihedral Angles : Residue Type Phi Psi Omega Chi 1 Chi 2 Chi 3 Chi 4 1 CYS 0.0 176.8 168.7 66.9 2 THR -105.5 -63.1 175.0 43.2 3 THR -139.2 -150.7 173.0 47.4 4 SER -62.6 -27.2 -171.4 54.6 5 LYS -80.2 -4.9 179.5 73.1 -168.9 -172.0 -61.9 6 GLU -103.6 1.3 174.8 -165.1 58.6 62.6 7 CYS -107.9 10.7 178.8 -57.3 8 TRP -96.2 -21.8 -178.4 -63.5 0.0 9 SER -131.6 68.6 -174.3 -170.3 10 VAL -142.9 -52.0 179.1 74.6 11 CYS -107.5 5.2 173.8 -69.7 12 GLN -93.6 -29.8 179.7 179.6 177.6 96.5 13 ARG -97.4 -4.1 -179.8 -56.8 -57.5 -58.9 175.5 14 LEU -115.4 -55.7 -179.4 -147.2 171.1 15 HIS -106.9 -124.9 -169.3 -47.2 -66.9 16 ASN -154.2 38.0 -173.7 -67.3 110.9 17 THR -112.2 -165.1 -166.0 59.5 18 SER -125.9 -105.4 -164.7 -169.3 19 LYS -85.1 -178.3 -175.9 -148.9 173.4 -179.3 -180.0 20 GLY -178.3 178.3 169.5 21 TRP -150.2 160.7 -174.7 49.9 88.5 22 CYS -106.7 121.9 169.0 -159.4 23 ASP -105.9 178.0 -175.6 -74.4 -59.8 24 HIS -89.8 17.4 174.5 -54.6 -65.8 25 ARG -114.3 -16.4 179.1 45.6 75.6 54.2 -168.1 26 GLY 144.5 -161.5 176.2 27 CYS -90.3 135.6 168.5 -82.1 28 ILE -84.9 138.2 -175.8 -54.3 -72.7 29 CYS -126.2 113.6 177.4 -70.4 30 GLU -112.3 148.6 -178.4 -57.9 -61.9 -61.9 31 SER -84.8 -31.3 0.0 -60.0 Alpha Carbon Cartesian Coordinates : Residue Type X Y Z 1 CYS -1.956 4.438 7.132 2 THR -0.336 7.901 7.217 3 THR -0.821 8.800 3.510 4 SER -0.266 6.798 0.229 5 LYS 3.359 5.936 1.284 6 GLU 2.323 3.450 4.054 7 CYS 0.553 1.288 1.407 8 TRP 3.967 0.822 -0.344 9 SER 5.196 -1.480 2.459 10 VAL 1.957 -3.405 3.248 11 CYS 1.463 -6.058 0.513 12 GLN 5.245 -5.997 -0.208 13 ARG 5.836 -7.283 3.357 14 LEU 2.850 -9.721 3.128 15 HIS 2.831 -10.816 -0.561 16 ASN 5.307 -9.848 -3.362 17 THR 3.902 -6.569 -4.790 18 SER 4.998 -2.906 -4.847 19 LYS 3.082 0.395 -4.549 20 GLY -0.307 1.538 -3.239 21 TRP -2.353 4.502 -2.101 22 CYS -4.625 4.944 0.931 23 ASP -8.419 5.238 0.644 24 HIS -10.856 5.297 3.647 25 ARG -11.539 1.534 3.266 26 GLY -7.851 0.549 3.725 27 CYS -4.680 0.263 1.607 28 ILE -4.726 -0.381 -2.166 29 CYS -2.025 -2.868 -3.291 30 GLU -0.618 -2.637 -6.858 31 SER 2.077 -4.929 -8.329 Richards-Kundrot Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 C C C C H H H H 3 3/H 10 H H H H H/S S S S S S 20 S S S/T T T T/S S S S S 30 S Kabsch-Sander Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 g G G G g S S S 10 t T T T t S 20 e E E T T E E e 30 Buried Surface Area Percentages : Residue Type Buried Area % Buried % Polar Cover 1 CYS 74.8 75.4 54.9 2 THR 36.6 34.2 75.9 3 THR 29.0 27.1 78.8 4 SER 38.7 46.3 65.5 5 LYS 65.3 37.7 73.7 6 GLU 59.1 42.6 74.8 7 CYS 99.2 100.0 47.6 8 TRP 101.2 49.4 68.9 9 SER 39.7 47.5 68.7 10 VAL 70.1 59.0 61.4 11 CYS 79.2 79.9 51.2 12 GLN 74.7 50.3 77.2 13 ARG 39.2 18.8 88.1 14 LEU 39.8 26.9 80.3 15 HIS 51.7 34.4 67.1 16 ASN 0.0 0.0 84.0 17 THR 75.8 70.9 64.0 18 SER 36.4 43.6 77.4 19 LYS 49.4 28.5 72.2 20 GLY 34.8 100.0 46.2 21 TRP 80.8 39.4 66.3 22 CYS 88.2 88.9 50.2 23 ASP 55.3 50.1 62.4 24 HIS 0.0 0.0 88.4 25 ARG 60.5 28.9 77.0 26 GLY 4.5 13.0 78.5 27 CYS 83.7 84.4 48.7 28 ILE 102.1 71.2 66.3 29 CYS 77.5 78.1 56.3 30 GLU 63.7 46.0 64.5 31 SER 17.1 20.4 72.7