| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 49.5 | Very low | 50.8 | Low | 229 Ų | 229 | 163.1 Ų | 163.1 | 100% | 1.128 | 86% | 0.858 | S | S | * | * | 0 | 104.6 | 0 | -83.9 | 69.8 | 174.3 | 0 | 0 | 107.5 | |||||
| 2 | E | 42.4 | Very low | 51.4 | Low | 185 Ų | 185 | 159.4 Ų | 159.4 | 86% | 0.864 | 85% | 0.851 | S | S | * | * | trans | -77.1 | 136.8 | -170.3 | -55.8 | -76.8 | 115.6 | 0 | 0 | 111.5 | ||||
| 3 | H | 54.3 | Low | 50.6 | Low | 180 Ų | 180 | 159.1 Ų | 159.1 | 83% | 0.833 | 84% | 0.841 | S | S | * | * | trans | -113.6 | 120.5 | 163.8 | -76.3 | -79.5 | 0 | 0 | 0 | 109.1 | L5 | H3-L5 PolarHBondContact O-N 3.48Š| ||
| 4 | P | 58.1 | Low | 50 | Low | 114 Ų | 114 | 155.5 Ų | 155.5 | 74% | 0.74 | 85% | 0.845 | S | S | * | * | trans | -80.3 | 120.3 | 179.1 | 29.6 | -30.6 | 0 | 0 | 0 | 111.6 | ||||
| 5 | L | 57.2 | Low | 49.7 | Very low | 174 Ų | 174 | 151.9 Ų | 151.9 | 91% | 0.911 | 83% | 0.83 | S | S | * | * | trans | -78.8 | 115.1 | 166.9 | -75.8 | 160.8 | 0 | 0 | 0 | 109.7 | H3 G7 | H3-L5 PolarHBondContact O-N 3.48Å; L5-G7 PolarHBondContact O-N 3.41Å; L5-G7 VanDerWaalsContact O-N 3.08Å | ||
| 6 | F | 53 | Low | 49.4 | Very low | 201 Ų | 201 | 147.8 Ų | 147.8 | 88% | 0.882 | 82% | 0.823 | S | S | * | * | trans | -79.3 | 84.8 | 168.8 | -95.9 | -88.7 | 0 | 0 | 0 | 110.4 | ||||
| 7 | G | 48 | Very low | 49 | Very low | 61 Ų | 61 | 150.5 Ų | 150.5 | 63% | 0.629 | 83% | 0.828 | S | S | * | * | trans | -91.8 | 114.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | L5 L9 | L5-G7 PolarHBondContact O-N 3.41Å; L5-G7 VanDerWaalsContact O-N 3.08Å; G7-L9 VanDerWaalsContact C-N 3.31Å; G7-L9 PolarHBondContact O-N 3.32Å | ||
| 8 | C | 51 | Low | 48.6 | Very low | 129 Ų | 129 | 145.9 Ų | 145.9 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | trans | -77.3 | 84 | 168.8 | -66.2 | 0 | 0 | 0 | 0 | 109.7 | R10 | C8-R10 PolarHBondContact O-N 3.2Š| ||
| 9 | L | 46.1 | Very low | 48.2 | Very low | 167 Ų | 167 | 147.8 Ų | 147.8 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | -69.6 | 120 | 166.7 | -116.2 | 70 | 0 | 0 | 0 | 109.2 | G7 | G7-L9 VanDerWaalsContact C-N 3.31Å; G7-L9 PolarHBondContact O-N 3.32Å | ||
| 10 | R | 50.1 | Low | 48.1 | Very low | 239 Ų | 239 | 147.8 Ų | 147.8 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | trans | -83 | 113.2 | 170.8 | -168.9 | 81.5 | 73 | -172.5 | 1.4 | 107.9 | C8 | C8-R10 PolarHBondContact O-N 3.2Š| ||
| 11 | S | 49.8 | Very low | 48.4 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -57.9 | 142.1 | 176.8 | -77.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 12 | P | 57.1 | Low | 48.1 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -94.7 | 145.3 | 171.1 | 35.9 | -28.9 | 0 | 0 | 0 | 112.5 | ||||
| 13 | H | 40.9 | Very low | 47.8 | Very low | 155 Ų | 155 | 139.5 Ų | 139.5 | 72% | 0.718 | 79% | 0.794 | S | S | * | * | trans | 67.6 | 109.6 | 142.5 | -149.4 | -103.5 | 0 | 0 | 0 | 120.7 | T15 | H13-T15 WeakPolarHBondContact CE1-CG2 3.18Å; H13-T15 PolarHBondContact CE1-OG1 3.42Å; H13-T15 PolarHBondContact ND1-OG1 3.06Å; H13-T15 WeakPolarHBondContact NE2-CG2 3.38Å | ||
| 14 | A | 43.1 | Very low | 47.1 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | trans | -126.7 | 117.6 | 146.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 15 | T | 44.5 | Very low | 46.5 | Very low | 101 Ų | 101 | 139.4 Ų | 139.4 | 62% | 0.62 | 80% | 0.798 | S | S | * | * | trans | -91.2 | 138.6 | -179.7 | 14.8 | 0 | 0 | 0 | 0 | 112.7 | H13 | H13-T15 WeakPolarHBondContact CE1-CG2 3.18Å; H13-T15 PolarHBondContact CE1-OG1 3.42Å; H13-T15 PolarHBondContact ND1-OG1 3.06Å; H13-T15 WeakPolarHBondContact NE2-CG2 3.38Å | ||
| 16 | A | 46.2 | Very low | 45.6 | Very low | 87 Ų | 87 | 136 Ų | 136 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | trans | 63.9 | 142.9 | 136.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 17 | Q | 42.2 | Very low | 45 | Very low | 194 Ų | 194 | 135.2 Ų | 135.2 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | cis | -154.1 | 156.8 | 22.7 | -64.8 | 179.6 | -30.1 | 0 | 0 | 105.9 | ||||
| 18 | G | 42.3 | Very low | 44.7 | Very low | 67 Ų | 67 | 136.8 Ų | 136.8 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | cis | 141.8 | 127.8 | 20.2 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 19 | L | 39.3 | Very low | 44.9 | Very low | 183 Ų | 183 | 138.5 Ų | 138.5 | 96% | 0.958 | 80% | 0.799 | S | S | * | * | trans | 169.3 | 111.7 | 138.8 | -85.6 | 173.4 | 0 | 0 | 0 | 109.9 | ||||
| 20 | H | 47.9 | Very low | 44.7 | Very low | 146 Ų | 146 | 139.8 Ų | 139.8 | 68% | 0.676 | 80% | 0.8 | S | S | * | * | trans | -71.5 | 170.9 | 169.7 | -113.4 | -118.1 | 0 | 0 | 0 | 110.6 | F22 | H20-F22 AromaticContact CE1-CE2 3.88Å; H20-F22 AromaticContact ND1-CD2 3.21Å; H20-F22 WeakPolarHBondContact ND1-CD2 3.46Å; H20-F22 AromaticContact ND1-CE2 3.24Å; H20-F22 WeakPolarHBondContact ND1-CE2 3.41Å; H20-F22 AromaticContact ND1-CG 3.9Å; H20-F22 AromaticContact ND1-CZ 3.96Å | ||
| 21 | P | 54.3 | Low | 44 | Very low | 113 Ų | 113 | 131.9 Ų | 131.9 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | cis | -142.6 | 141.9 | 43.4 | 33.1 | -9.8 | 0 | 0 | 0 | 119.6 | ||||
| 22 | F | 41.7 | Very low | 43.8 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | trans | 49.5 | 123.6 | 130.9 | -71.9 | -89.1 | 0 | 0 | 0 | 121.2 | H20 | H20-F22 AromaticContact CE1-CE2 3.88Å; H20-F22 AromaticContact ND1-CD2 3.21Å; H20-F22 WeakPolarHBondContact ND1-CD2 3.46Å; H20-F22 AromaticContact ND1-CE2 3.24Å; H20-F22 WeakPolarHBondContact ND1-CE2 3.41Å; H20-F22 AromaticContact ND1-CG 3.9Å; H20-F22 AromaticContact ND1-CZ 3.96Å | ||
| 23 | S | 37 | Very low | 42.9 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | 179.7 | 149.7 | 83.9 | -170.9 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 24 | Q | 39.4 | Very low | 43.1 | Very low | 163 Ų | 163 | 137 Ų | 137 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | -80.9 | 141.9 | -160.8 | -60.6 | 172.1 | 16.2 | 0 | 0 | 113.5 | ||||
| 25 | S | 45.7 | Very low | 43 | Very low | 129 Ų | 129 | 140 Ų | 140 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -87.9 | 121.8 | 155.1 | -74.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 26 | S | 39 | Very low | 43.3 | Very low | 102 Ų | 102 | 142.4 Ų | 142.4 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | trans | -130.5 | 108.2 | 171.3 | -163.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 27 | L | 39.3 | Very low | 43 | Very low | 184 Ų | 184 | 142.9 Ų | 142.9 | 96% | 0.963 | 80% | 0.799 | S | S | * | * | trans | -98.6 | 101 | 169.2 | -69.9 | -178.8 | 0 | 0 | 0 | 108.2 | ||||
| 28 | A | 41.8 | Very low | 42.9 | Very low | 94 Ų | 94 | 143.3 Ų | 143.3 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | trans | -94.9 | 129.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 29 | L | 55.3 | Low | 43.4 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -83.9 | 123.8 | 174.7 | -164.3 | 127.7 | 0 | 0 | 0 | 108.7 | ||||
| 30 | H | 42.8 | Very low | 43.5 | Very low | 194 Ų | 194 | 146 Ų | 146 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | trans | -158.7 | 137.8 | 157.9 | -93.9 | 78.4 | 0 | 0 | 0 | 105.4 | ||||
| 31 | G | 34.9 | Very low | 43.4 | Very low | 73 Ų | 73 | 146.3 Ų | 146.3 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | cis | 117.7 | 115.7 | 47.7 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 32 | R | 45.8 | Very low | 42.6 | Very low | 249 Ų | 249 | 146 Ų | 146 | 94% | 0.94 | 80% | 0.8 | S | S | * | * | trans | -63.1 | 140.1 | -178 | -57.3 | 166.2 | 68.9 | -173.6 | 1.8 | 110.5 | ||||
| 33 | S | 37.8 | Very low | 42.4 | Very low | 101 Ų | 101 | 144.7 Ų | 144.7 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | 173.2 | 128.9 | 127.5 | -112.8 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 34 | D | 44.4 | Very low | 42.4 | Very low | 146 Ų | 146 | 144 Ų | 144 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | trans | 48.5 | 99.5 | 137.3 | -48.6 | -51.9 | 0 | 0 | 0 | 119.4 | ||||
| 35 | H | 41.3 | Very low | 42.2 | Very low | 172 Ų | 172 | 141 Ų | 141 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | trans | -148.2 | 112.9 | 136.7 | -169.1 | -107.4 | 0 | 0 | 0 | 110.9 | S37 | H35-S37 PolarHBondContact CE1-OG 3.01Å; H35-S37 PolarHBondContact ND1-OG 3.26Å | ||
| 36 | M | 51.4 | Low | 41.8 | Very low | 153 Ų | 153 | 139.5 Ų | 139.5 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | -64 | 127.5 | 167.7 | -72.1 | -99.6 | 77.9 | 0 | 0 | 110.3 | ||||
| 37 | S | 39.9 | Very low | 41.8 | Very low | 96 Ų | 96 | 139.4 Ų | 139.4 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | trans | -136.3 | 112.8 | 156.7 | -73.2 | 0 | 0 | 0 | 0 | 108.7 | H35 | H35-S37 PolarHBondContact CE1-OG 3.01Å; H35-S37 PolarHBondContact ND1-OG 3.26Å | ||
| 38 | Y | 39.5 | Very low | 41.6 | Very low | 203 Ų | 203 | 135.9 Ų | 135.9 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 140.9 | 177.2 | -86 | -102.8 | 0 | 0 | 0 | 111.7 | ||
| 39 | P | 53.6 | Low | 41.6 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 133.8 | 143 | -1 | 20.4 | 0 | 0 | 0 | 109.1 | ||
| 40 | E | 40.3 | Very low | 40.8 | Very low | 188 Ų | 188 | 137.1 Ų | 137.1 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 143.6 | -179.7 | -159.5 | -168 | 166.6 | 0 | 0 | 112.8 | ||
| 41 | L | 46.5 | Very low | 40.5 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 134 | 178.4 | -67.6 | 153.5 | 0 | 0 | 0 | 110.8 | ||
| 42 | S | 37.9 | Very low | 40.4 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | -158.6 | 107.7 | 143 | -86.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 43 | T | 36.1 | Very low | 40.1 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | 84.5 | 121 | 131.4 | -38 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 44 | S | 38.2 | Very low | 41.2 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | 78.6 | 110.5 | 148 | -97.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 45 | S | 35.2 | Very low | 40.9 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | 87.2 | 119.2 | 112.6 | -154.5 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 46 | S | 36.8 | Very low | 40.8 | Very low | 97 Ų | 97 | 131.5 Ų | 131.5 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | trans | 77.3 | 109.7 | 134.8 | -63.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 47 | S | 38.8 | Very low | 40.4 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | 71.9 | 125.4 | 113.1 | -49.5 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 48 | C | 35.2 | Very low | 40.3 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | 73.7 | 121 | 126.2 | 75.4 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 49 | I | 41.4 | Very low | 40.3 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 73% | 0.728 | 77% | 0.767 | S | S | * | * | 86.7 | 116.2 | 117.6 | -69.8 | -68.7 | 0 | 0 | 0 | 119.4 | |||||
| 50 | I | 39 | Very low | 39.5 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | 78 | 139 | 131.7 | -69.1 | -179.1 | 0 | 0 | 0 | 121.3 | ||||
| 51 | A | 37.7 | Very low | 39.3 | Very low | 96 Ų | 96 | 130 Ų | 130 | 79% | 0.793 | 77% | 0.765 | S | S | * | * | trans | 9.6 | 150 | 147.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 52 | G | 31.8 | Very low | 38.9 | Very low | 66 Ų | 66 | 127.8 Ų | 127.8 | 68% | 0.68 | 76% | 0.762 | S | S | * | * | cis | 162.8 | -167.3 | 13 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 53 | Y | 39.2 | Very low | 39.1 | Very low | 236 Ų | 236 | 131 Ų | 131 | 93% | 0.925 | 77% | 0.765 | S | S | * | * | trans | 80 | 151.5 | 165.7 | -88.5 | -102.9 | 0 | 0 | 0 | 121 | ||||
| 54 | P | 61.2 | Low | 39.2 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | trans | -116.8 | -175 | -158.1 | 43.3 | -29 | 0 | 0 | 0 | 114.1 | ||||
| 55 | N | 38.2 | Very low | 39.3 | Very low | 134 Ų | 134 | 135.6 Ų | 135.6 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | trans | 92.7 | 124.5 | 150.7 | -160.4 | 39.9 | 0 | 0 | 0 | 119.2 | ||||
| 56 | E | 39.5 | Very low | 39.4 | Very low | 180 Ų | 180 | 141.3 Ų | 141.3 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | trans | 171.6 | 106.1 | 141.3 | 54.5 | -162.8 | 142.3 | 0 | 0 | 108.6 | ||||
| 57 | E | 42.3 | Very low | 39.4 | Very low | 181 Ų | 181 | 140.7 Ų | 140.7 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | 42.1 | 126.2 | 92.1 | -87 | -166.4 | 115.6 | 0 | 0 | 117.9 | |||||
| 58 | G | 37.3 | Very low | 39.8 | Very low | 69 Ų | 69 | 142 Ų | 142 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | 153.6 | 81.9 | 169 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 59 | M | 40.6 | Very low | 40.7 | Very low | 186 Ų | 186 | 144 Ų | 144 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | 57.6 | 101.7 | 99.5 | -67.8 | 174.9 | 160.3 | 0 | 0 | 115.6 | |||||
| 60 | F | 36.6 | Very low | 41.2 | Very low | 210 Ų | 210 | 146.5 Ų | 146.5 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | trans | -154.8 | 124.6 | 135.4 | -136.1 | -94.5 | 0 | 0 | 0 | 111.4 | ||||
| 61 | A | 36.6 | Very low | 41.9 | Very low | 82 Ų | 82 | 147.5 Ų | 147.5 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | trans | -98.9 | 137.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 62 | S | 36.7 | Very low | 42.8 | Very low | 105 Ų | 105 | 151.8 Ų | 151.8 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | 175.3 | 121.2 | 137.6 | -88.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 63 | Q | 42.5 | Very low | 44 | Very low | 176 Ų | 176 | 157.4 Ų | 157.4 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | 87.1 | 126.1 | 121.4 | -149.5 | 155 | 21.5 | 0 | 0 | 121 | |||||
| 64 | H | 39.3 | Very low | 44.7 | Very low | 160 Ų | 160 | 153.4 Ų | 153.4 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | trans | -64.3 | 152.4 | 179.6 | -62 | -116.9 | 0 | 0 | 0 | 112 | ||||
| 65 | H | 40.6 | Very low | 44.4 | Very low | 170 Ų | 170 | 156.8 Ų | 156.8 | 79% | 0.787 | 79% | 0.79 | S | S | * | * | -173.9 | 156.3 | 71.5 | -72.1 | -65.9 | 0 | 0 | 0 | 113.2 | |||||
| 66 | R | 36.7 | Very low | 45.2 | Very low | 220 Ų | 220 | 158.5 Ų | 158.5 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | trans | 84.1 | 77.5 | 146.5 | -115 | 176.3 | -171.7 | -168.4 | 3.3 | 119.5 | ||||
| 67 | G | 36.1 | Very low | 45.8 | Very low | 84 Ų | 84 | 156.4 Ų | 156.4 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | trans | -102.9 | 113.9 | 153.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 68 | H | 47.8 | Very low | 46.3 | Very low | 128 Ų | 128 | 153.7 Ų | 153.7 | 59% | 0.593 | 77% | 0.771 | S | S | * | * | trans | -101.1 | 124.8 | 174.3 | -100.5 | -71.8 | 0 | 0 | 0 | 109.9 | ||||
| 69 | H | 53.3 | Low | 47 | Very low | 151 Ų | 151 | 156.4 Ų | 156.4 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | trans | 66.8 | 111.5 | 157.7 | -55.6 | -66.8 | 0 | 0 | 0 | 118.4 | ||||
| 70 | H | 52.9 | Low | 47.8 | Very low | 194 Ų | 194 | 154 Ų | 154 | 90% | 0.898 | 75% | 0.751 | S | S | * | * | 175.9 | 77.5 | 123.7 | -91.4 | 71.9 | 0 | 0 | 0 | 107.7 | |||||
| 71 | H | 53.7 | Low | 48.6 | Very low | 165 Ų | 165 | 150.8 Ų | 150.8 | 76% | 0.764 | 74% | 0.739 | S | S | * | * | trans | -127.4 | 88.3 | 179.1 | -124.2 | 84.7 | 0 | 0 | 0 | 109 | ||||
| 72 | H | 57.1 | Low | 49.4 | Very low | 186 Ų | 186 | 152.7 Ų | 152.7 | 86% | 0.861 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -153.9 | 24.2 | 165 | -118.9 | 68.4 | 0 | 0 | 0 | 115.8 | ||
| 73 | H | 56.7 | Low | 50.2 | Low | 183 Ų | 183 | 154.2 Ų | 154.2 | 85% | 0.847 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -132.5 | 0.4 | 177.2 | -113.8 | 60.5 | 0 | 0 | 0 | 117.1 | ||
| 74 | H | 54.4 | Low | 50.5 | Low | 153 Ų | 153 | 152.3 Ų | 152.3 | 71% | 0.708 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -92.5 | -11.9 | -176.6 | -104.6 | -43.2 | 0 | 0 | 0 | 116.3 | H76 | H74-H76 VanDerWaalsContact C-N 3.35Å; H74-H76 PolarHBondContact O-N 3.43Å |
| 75 | H | 54.1 | Low | 50.9 | Low | 176 Ų | 176 | 152 Ų | 152 | 82% | 0.815 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -72.6 | -24.3 | -176.5 | -102.5 | -67 | 0 | 0 | 0 | 114.3 | ||
| 76 | H | 54 | Low | 51.3 | Low | 169 Ų | 169 | 147.8 Ų | 147.8 | 78% | 0.782 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -78.2 | -26.5 | -174.6 | -145.1 | -26.1 | 0 | 0 | 0 | 113.6 | H74 | H74-H76 VanDerWaalsContact C-N 3.35Å; H74-H76 PolarHBondContact O-N 3.43Å |
| 77 | H | 52.9 | Low | 51.9 | Low | 136 Ų | 136 | 145 Ų | 145 | 63% | 0.63 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -82.6 | -24.7 | -175.9 | -144.7 | -72.1 | 0 | 0 | 0 | 113.3 | ||
| 78 | H | 52 | Low | 52.6 | Low | 125 Ų | 125 | 148.9 Ų | 148.9 | 58% | 0.579 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -79.1 | -27.4 | -178 | -151 | -80.4 | 0 | 0 | 0 | 112.9 | ||
| 79 | H | 53.5 | Low | 52.9 | Low | 125 Ų | 125 | 148.6 Ų | 148.6 | 58% | 0.579 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -74.6 | -30.2 | 177.8 | -158.6 | 68.8 | 0 | 0 | 0 | 112.5 | ||
| 80 | Q | 56.5 | Low | 52.5 | Low | 137 Ų | 137 | 147.7 Ų | 147.7 | 64% | 0.64 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -74.1 | -26.1 | 179.2 | -164.5 | 165 | 50.1 | 0 | 0 | 112.7 | H84 | Q80-H84 PolarHBondContact O-CD2 3.18Å |
| 81 | Q | 53.4 | Low | 52.1 | Low | 141 Ų | 141 | 150.9 Ų | 150.9 | 66% | 0.659 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -81.3 | -26.1 | 179.2 | -160 | 164.5 | 16 | 0 | 0 | 113.5 | Q83 H84 | Q81-Q83 PolarHBondContact O-N 2.61Å; Q81-H84 PolarHBondContact O-N 2.88Å |
| 82 | Q | 53.2 | Low | 51.6 | Low | 123 Ų | 123 | 151.2 Ų | 151.2 | 58% | 0.575 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -70.7 | -27.1 | 177.5 | -88.7 | 178.7 | 2.7 | 0 | 0 | 113.7 | H84 Q85 | Q82-H84 VanDerWaalsContact C-N 3.32Å; Q82-H84 PolarHBondContact O-N 3.17Å; Q82-Q85 PolarHBondContact O-N 3.27Å |
| 83 | Q | 54.1 | Low | 51.3 | Low | 136 Ų | 136 | 149.8 Ų | 149.8 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -22.3 | 177.5 | -65.3 | -158.1 | 1.5 | 0 | 0 | 113.5 | Q81 Q85 | Q81-Q83 PolarHBondContact O-N 2.61Å; Q83-Q85 VanDerWaalsContact C-N 3.33Å |
| 84 | H | 48.2 | Very low | 50.7 | Low | 137 Ų | 137 | 145.6 Ų | 145.6 | 63% | 0.634 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -14.8 | 179.3 | -73.5 | -130.5 | 0 | 0 | 0 | 113.1 | Q80 Q81 Q82 | Q80-H84 PolarHBondContact O-CD2 3.18Å; Q81-H84 PolarHBondContact O-N 2.88Å; Q82-H84 VanDerWaalsContact C-N 3.32Å; Q82-H84 PolarHBondContact O-N 3.17Å |
| 85 | Q | 48.3 | Very low | 50.4 | Low | 154 Ų | 154 | 146.7 Ų | 146.7 | 72% | 0.72 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -20.9 | -179.6 | -141.9 | 168.3 | 66.5 | 0 | 0 | 112.9 | Q82 Q83 L87 Q88 | Q82-Q85 PolarHBondContact O-N 3.27Å; Q83-Q85 VanDerWaalsContact C-N 3.33Å; Q85-L87 PolarHBondContact O-N 2.68Å; Q85-Q88 PolarHBondContact O-N 3.48Å |
| 86 | A | 48.9 | Very low | 49.7 | Very low | 80 Ų | 80 | 146 Ų | 146 | 66% | 0.661 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -3.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 87 | L | 49.2 | Very low | 49.2 | Very low | 163 Ų | 163 | 143 Ų | 143 | 85% | 0.853 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | 13.2 | 175.4 | -65.7 | 176.2 | 0 | 0 | 0 | 113.8 | Q85 | Q85-L87 PolarHBondContact O-N 2.68Š|
| 88 | Q | 51.2 | Low | 49.3 | Very low | 164 Ų | 164 | 141.9 Ų | 141.9 | 77% | 0.766 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -121.1 | 21.2 | -178.8 | -75.9 | -164.2 | 72.8 | 0 | 0 | 115.8 | Q85 | Q85-Q88 PolarHBondContact O-N 3.48Š|
| 89 | T | 54.3 | Low | 49.5 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | trans | -135.1 | 76.5 | 170.8 | 58 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 90 | N | 44.4 | Very low | 49.6 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | trans | -157.8 | 79.2 | 153 | -155.7 | 53.4 | 0 | 0 | 0 | 112.7 | ||||
| 91 | W | 43.3 | Very low | 49.2 | Very low | 261 Ų | 261 | 141.4 Ų | 141.4 | 99% | 0.989 | 75% | 0.754 | S | S | * | * | trans | -125.6 | 45.7 | 159.4 | -75.6 | 111.8 | 0 | 0 | 0 | 110.4 | L93 | W91-L93 PolarHBondContact O-N 2.84Š| ||
| 92 | H | 44.7 | Very low | 48.6 | Very low | 172 Ų | 172 | 138.8 Ų | 138.8 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | trans | -79.3 | 106.2 | 164.7 | -80.3 | -65.6 | 0 | 0 | 0 | 109.3 | ||||
| 93 | L | 49.7 | Very low | 48.1 | Very low | 157 Ų | 157 | 137.4 Ų | 137.4 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -62.3 | 124.5 | 163.8 | -176.7 | 66.1 | 0 | 0 | 0 | 108.8 | W91 Q95 | W91-L93 PolarHBondContact O-N 2.84Å; L93-Q95 PolarHBondContact O-N 2.88Å | ||
| 94 | P | 44.2 | Very low | 47.6 | Very low | 95 Ų | 95 | 140.8 Ų | 140.8 | 62% | 0.617 | 77% | 0.773 | S | S | * | * | trans | -73.6 | 114.5 | 169.3 | 1 | 14.7 | 0 | 0 | 0 | 108.1 | M96 | P94-M96 PolarHBondContact O-N 3.13Š| ||
| 95 | Q | 47.7 | Very low | 47.3 | Very low | 175 Ų | 175 | 143.3 Ų | 143.3 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -65.8 | 115.1 | 162.7 | -166.1 | -160 | 90 | 0 | 0 | 107.1 | L93 | L93-Q95 PolarHBondContact O-N 2.88Š| ||
| 96 | M | 41 | Very low | 47 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | trans | -113.8 | 133.3 | 172.7 | -68.4 | -81.1 | 98 | 0 | 0 | 109.6 | P94 | P94-M96 PolarHBondContact O-N 3.13Š| ||
| 97 | S | 43.4 | Very low | 46.8 | Very low | 107 Ų | 107 | 145.7 Ų | 145.7 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -68 | 145.9 | -165.6 | -28.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 98 | S | 54.1 | Low | 46.5 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 146.7 | 169.7 | -47.5 | 0 | 0 | 0 | 0 | 112.6 | ||
| 99 | P | 57.1 | Low | 45.8 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 142.8 | 167.4 | 32.8 | -29.6 | 0 | 0 | 0 | 110.6 | ||
| 100 | P | 53.8 | Low | 45.3 | Very low | 130 Ų | 130 | 146 Ų | 146 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 143.1 | 172.2 | 31.3 | -31.4 | 0 | 0 | 0 | 111.6 | ||
| 101 | S | 49.8 | Very low | 46.2 | Very low | 126 Ų | 126 | 145 Ų | 145 | 88% | 0.881 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 129.6 | 168.1 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | ||
| 102 | A | 39.6 | Very low | 45.7 | Very low | 87 Ų | 87 | 139.7 Ų | 139.7 | 72% | 0.719 | 80% | 0.795 | S | S | * | * | trans | 164.2 | 113.2 | 147.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 103 | A | 44 | Very low | 45.6 | Very low | 94 Ų | 94 | 136.3 Ų | 136.3 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | 58.7 | 123.7 | 96.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 104 | R | 43 | Very low | 45 | Very low | 207 Ų | 207 | 132.7 Ų | 132.7 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | cis | -152.3 | 164.8 | 41.8 | -55.9 | 175.8 | 83.1 | 172.8 | 1 | 105.9 | ||||
| 105 | H | 40.7 | Very low | 44.7 | Very low | 190 Ų | 190 | 131.7 Ų | 131.7 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | -159.8 | 130.2 | 83.8 | -69 | -81.8 | 0 | 0 | 0 | 109.4 | |||||
| 106 | S | 43 | Very low | 45 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | trans | -66.6 | 130 | 168.5 | -52.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 107 | L | 44.7 | Very low | 46.2 | Very low | 182 Ų | 182 | 127.1 Ų | 127.1 | 95% | 0.953 | 80% | 0.795 | S | S | * | * | trans | -128.9 | 112.2 | 139.9 | -74.9 | 177.9 | 0 | 0 | 0 | 107.8 | ||||
| 108 | C | 43.3 | Very low | 46 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -77.4 | 138.6 | 173.6 | -165.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 109 | L | 36 | Very low | 45.5 | Very low | 177 Ų | 177 | 131.8 Ų | 131.8 | 93% | 0.927 | 80% | 0.797 | S | S | * | * | trans | -173.7 | 103.9 | 141.2 | -91.4 | 143.3 | 0 | 0 | 0 | 108 | ||||
| 110 | Q | 44.7 | Very low | 44.4 | Very low | 170 Ų | 170 | 129.3 Ų | 129.3 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -92.5 | -168.5 | 153.2 | -51.2 | -176.8 | 32.3 | 0 | 0 | 107.7 | ||||
| 111 | P | 63.1 | Low | 43.7 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | cis | -132.6 | 176.2 | -30.2 | 20 | 3.7 | 0 | 0 | 0 | 112.2 | ||||
| 112 | D | 31.2 | Very low | 43.5 | Very low | 149 Ų | 149 | 128.9 Ų | 128.9 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -166.5 | 97.6 | 137.8 | -158.9 | -127.7 | 0 | 0 | 0 | 108.1 | ||||
| 113 | S | 42.6 | Very low | 44.7 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | 84.3 | 130.5 | 81.6 | 93.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 114 | G | 38 | Very low | 45.4 | Very low | 80 Ų | 80 | 131.6 Ų | 131.6 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | 139.6 | 72.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 115 | G | 37 | Very low | 45.7 | Very low | 75 Ų | 75 | 128 Ų | 128 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -73.1 | -159.8 | 159.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 116 | P | 54.9 | Low | 45.9 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | cis | -138 | -173.2 | 9.7 | 42.9 | -22.4 | 0 | 0 | 0 | 114.4 | ||||
| 117 | P | 65.2 | Low | 45.6 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | trans | -107.6 | 174.6 | -168.5 | 40 | -28.7 | 0 | 0 | 0 | 113.2 | ||||
| 118 | E | 40.6 | Very low | 45.3 | Very low | 163 Ų | 163 | 124.1 Ų | 124.1 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | 171.8 | 153.3 | 134.5 | -103.1 | -82.5 | 77.1 | 0 | 0 | 115.3 | ||||
| 119 | L | 42.5 | Very low | 45 | Very low | 154 Ų | 154 | 126.5 Ų | 126.5 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | trans | 75.8 | 129.1 | 165 | -41.5 | -179.6 | 0 | 0 | 0 | 117.7 | ||||
| 120 | G | 35.7 | Very low | 45.2 | Very low | 67 Ų | 67 | 122.7 Ų | 122.7 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | cis | 153 | 152.3 | 7.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 121 | S | 39.1 | Very low | 45 | Very low | 131 Ų | 131 | 120.1 Ų | 120.1 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | trans | 90.9 | 122.5 | 152.6 | -54.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 122 | S | 43.9 | Very low | 43.9 | Very low | 116 Ų | 116 | 119.5 Ų | 119.5 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | -75.1 | -179.8 | 172.6 | -62.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 123 | P | 66.4 | Low | 44.7 | Very low | 117 Ų | 117 | 120.7 Ų | 120.7 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | trans | -91.4 | -178.4 | -156.7 | 41.7 | -37 | 0 | 0 | 0 | 113.8 | ||||
| 124 | P | 57.4 | Low | 44.2 | Very low | 121 Ų | 121 | 119.3 Ų | 119.3 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | -153.8 | 178.7 | 98.1 | 37.5 | -16.6 | 0 | 0 | 0 | 117.2 | |||||
| 125 | V | 50.6 | Low | 44.5 | Very low | 133 Ų | 133 | 121.3 Ų | 121.3 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | trans | -60 | 175 | 169.7 | -111.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 126 | L | 44.4 | Very low | 44.8 | Very low | 172 Ų | 172 | 122.6 Ų | 122.6 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | trans | 108.2 | 137.5 | 173.6 | -57.3 | 175.7 | 0 | 0 | 0 | 111.9 | ||||
| 127 | C | 36.3 | Very low | 44.4 | Very low | 108 Ų | 108 | 122.5 Ų | 122.5 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | cis | -161.4 | 141.5 | 15.9 | 51.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 128 | S | 38 | Very low | 44 | Very low | 111 Ų | 111 | 123.1 Ų | 123.1 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | 54.2 | 120.3 | 107.1 | -51.6 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 129 | N | 37.9 | Very low | 44.4 | Very low | 159 Ų | 159 | 122.2 Ų | 122.2 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -127.8 | 107 | 136.8 | -153.2 | 60 | 0 | 0 | 0 | 109.1 | ||||
| 130 | S | 39.1 | Very low | 44.2 | Very low | 97 Ų | 97 | 118.1 Ų | 118.1 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | -76.9 | 139.9 | 166.4 | 52.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 131 | S | 41.4 | Very low | 44.5 | Very low | 116 Ų | 116 | 119.8 Ų | 119.8 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -136.2 | 123.3 | 142.1 | -67.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 132 | S | 40.7 | Very low | 44.5 | Very low | 98 Ų | 98 | 117.8 Ų | 117.8 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | trans | -86.3 | 175.4 | -164.6 | 48.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 133 | L | 46.1 | Very low | 44.3 | Very low | 175 Ų | 175 | 118.3 Ų | 118.3 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | trans | 103.8 | 119 | 159.1 | -56.8 | 153 | 0 | 0 | 0 | 112.6 | ||||
| 134 | G | 33.8 | Very low | 43.6 | Very low | 72 Ų | 72 | 117.2 Ų | 117.2 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | cis | -174.1 | 163.8 | 6.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 135 | S | 42.6 | Very low | 43.4 | Very low | 121 Ų | 121 | 117.9 Ų | 117.9 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -30.6 | 143.3 | 165.6 | -158.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 136 | S | 44 | Very low | 43 | Very low | 102 Ų | 102 | 114 Ų | 114 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | -172 | 146.2 | 62 | 50.8 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 137 | T | 47.3 | Very low | 43.3 | Very low | 125 Ų | 125 | 113.1 Ų | 113.1 | 77% | 0.767 | 78% | 0.78 | S | S | * | * | trans | -57.4 | 158.1 | 157.5 | 52.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 138 | P | 55.5 | Low | 43.9 | Very low | 127 Ų | 127 | 117.9 Ų | 117.9 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | -140.3 | 152.2 | 91 | 34.6 | -18.9 | 0 | 0 | 0 | 115.4 | |||||
| 139 | T | 48.9 | Very low | 44.2 | Very low | 144 Ų | 144 | 115.5 Ų | 115.5 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | -66.6 | 142.2 | 163 | -63.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 140 | G | 38.6 | Very low | 44.4 | Very low | 68 Ų | 68 | 117.2 Ų | 117.2 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | 139.8 | 140.1 | 146.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 141 | A | 43 | Very low | 44.6 | Very low | 102 Ų | 102 | 119.5 Ų | 119.5 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | 79.3 | 109.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 142 | A | 38.8 | Very low | 44.8 | Very low | 90 Ų | 90 | 118.4 Ų | 118.4 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | 98 | 132.6 | 50.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 143 | C | 39.6 | Very low | 45.1 | Very low | 127 Ų | 127 | 121.5 Ų | 121.5 | 86% | 0.858 | 78% | 0.777 | S | S | * | * | trans | 82.3 | 114.9 | 152.7 | -59.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 144 | A | 51.8 | Low | 45.1 | Very low | 94 Ų | 94 | 118.3 Ų | 118.3 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | trans | 94.7 | 134.5 | 133.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 145 | P | 52.7 | Low | 46 | Very low | 134 Ų | 134 | 121 Ų | 121 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | trans | -84.1 | 131.5 | 168.4 | 34.6 | -28.5 | 0 | 0 | 0 | 109.9 | ||||
| 146 | G | 43.5 | Very low | 46.1 | Very low | 51 Ų | 51 | 118.6 Ų | 118.6 | 53% | 0.526 | 76% | 0.761 | S | S | . | * | trans | -108.3 | 106.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 147 | D | 49 | Very low | 46 | Very low | 155 Ų | 155 | 122.3 Ų | 122.3 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | trans | -62.7 | 129.3 | 160.9 | -179.3 | -87.4 | 0 | 0 | 0 | 110.6 | ||||
| 148 | Y | 49.3 | Very low | 45.8 | Very low | 208 Ų | 208 | 120.4 Ų | 120.4 | 82% | 0.816 | 76% | 0.764 | S | S | * | * | trans | -148.7 | 98.8 | 156 | 4.9 | -92.1 | 0 | 0 | 0 | 110 | ||||
| 149 | G | 44.3 | Very low | 45.1 | Very low | 61 Ų | 61 | 121.5 Ų | 121.5 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | trans | -72.9 | 145.1 | 150.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 150 | R | 43.1 | Very low | 45 | Very low | 195 Ų | 195 | 121.8 Ų | 121.8 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | trans | -152.2 | 102.2 | 150.4 | -121 | -152.3 | -178.3 | -78.7 | -8.7 | 113.3 | ||||
| 151 | Q | 42.2 | Very low | 45.3 | Very low | 144 Ų | 144 | 128.5 Ų | 128.5 | 67% | 0.673 | 75% | 0.752 | S | S | * | * | 53.3 | 118.9 | 117.7 | -60.3 | 179.2 | 30.4 | 0 | 0 | 119.8 | |||||
| 152 | A | 45.7 | Very low | 45.3 | Very low | 93 Ų | 93 | 129.1 Ų | 129.1 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | -46.8 | 143.9 | 154.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 153 | L | 48.3 | Very low | 45.1 | Very low | 164 Ų | 164 | 128.9 Ų | 128.9 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | trans | -141.8 | 119.6 | 150.5 | -71.9 | 178.5 | 0 | 0 | 0 | 109.5 | ||||
| 154 | S | 44.7 | Very low | 45.2 | Very low | 107 Ų | 107 | 127 Ų | 127 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | -78.5 | 157.1 | 158.3 | -170.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 155 | P | 53.6 | Low | 45 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | trans | -128.1 | 139.6 | 138.7 | 26.5 | -10.6 | 0 | 0 | 0 | 111.6 | ||||
| 156 | A | 43.8 | Very low | 45 | Very low | 72 Ų | 72 | 137.3 Ų | 137.3 | 60% | 0.595 | 77% | 0.765 | S | S | * | * | trans | -104.8 | 171.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 157 | E | 42.8 | Very low | 45.3 | Very low | 179 Ų | 179 | 144.2 Ų | 144.2 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | 91.7 | 120.7 | 155.3 | -45.8 | -53.6 | 125.5 | 0 | 0 | 120.4 | ||||
| 158 | A | 42.1 | Very low | 45.3 | Very low | 85 Ų | 85 | 142.8 Ų | 142.8 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | 123.4 | 93.8 | 118.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 159 | E | 41.8 | Very low | 45.1 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | 78.2 | 131.3 | 117.3 | -96.3 | -170.1 | 84.3 | 0 | 0 | 125.2 | |||||
| 160 | K | 45.8 | Very low | 45.2 | Very low | 149 Ų | 149 | 142 Ų | 142 | 65% | 0.648 | 79% | 0.787 | S | S | * | * | trans | 76.6 | 139.7 | 143.6 | -81.7 | -179.7 | 169.8 | 133.1 | 0 | 118.5 | ||||
| 161 | R | 45.1 | Very low | 45.4 | Very low | 209 Ų | 209 | 138 Ų | 138 | 79% | 0.789 | 79% | 0.789 | S | S | * | * | cis | -168 | 140.1 | 27.3 | -128.3 | 162.1 | -177.9 | -173.9 | 1.5 | 112.5 | ||||
| 162 | S | 42.8 | Very low | 45.3 | Very low | 116 Ų | 116 | 138 Ų | 138 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | 43.8 | 132.1 | 142.1 | 76.8 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 163 | G | 35.5 | Very low | 45.2 | Very low | 84 Ų | 84 | 137.8 Ų | 137.8 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | 126.2 | 108.5 | 112.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 164 | G | 40.8 | Very low | 45.2 | Very low | 87 Ų | 87 | 138.4 Ų | 138.4 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | 178.9 | 68.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 165 | K | 48.4 | Very low | 45 | Very low | 195 Ų | 195 | 140.7 Ų | 140.7 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | -77.5 | 124.8 | 178.2 | 172.5 | 161.9 | 168.9 | 172.3 | 0 | 111.6 | ||||
| 166 | R | 52.1 | Low | 44.6 | Very low | 251 Ų | 251 | 138 Ų | 138 | 95% | 0.947 | 78% | 0.778 | S | S | * | * | trans | -144.4 | 143.2 | 146.3 | -68.3 | -160.7 | 172.5 | -159.4 | -3 | 111.5 | ||||
| 167 | K | 51 | Low | 45.1 | Very low | 196 Ų | 196 | 141.6 Ų | 141.6 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | trans | -106.5 | 136.7 | -161.8 | 167.7 | 158.2 | 64.9 | 173.1 | 0 | 108.6 | ||||
| 168 | S | 47.4 | Very low | 45.3 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | -157.2 | 128.7 | 149.8 | -167.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 169 | D | 45.8 | Very low | 45.6 | Very low | 138 Ų | 138 | 146.2 Ų | 146.2 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | trans | -72.3 | 140.2 | 178.7 | -176.9 | -89.3 | 0 | 0 | 0 | 111.5 | ||||
| 170 | S | 46.5 | Very low | 45.9 | Very low | 116 Ų | 116 | 144.4 Ų | 144.4 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -170.7 | 116.3 | 137.8 | -144.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 171 | S | 47 | Very low | 46.1 | Very low | 110 Ų | 110 | 146.4 Ų | 146.4 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -68.7 | 135.7 | 168 | -68.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 172 | D | 41 | Very low | 46.6 | Very low | 145 Ų | 145 | 142.6 Ų | 142.6 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | trans | -154.9 | 110.6 | 140.2 | -161.6 | -127.6 | 0 | 0 | 0 | 111.7 | ||||
| 173 | S | 42.7 | Very low | 47 | Very low | 87 Ų | 87 | 142.8 Ų | 142.8 | 61% | 0.608 | 79% | 0.793 | S | S | * | * | trans | 44.4 | 134.4 | 133.4 | -45.4 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 174 | Q | 48.3 | Very low | 48 | Very low | 178 Ų | 178 | 144 Ų | 144 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | 100.3 | 88 | 139.9 | -135 | 90.6 | -16.5 | 0 | 0 | 119.2 | ||||
| 175 | E | 41.9 | Very low | 49.1 | Very low | 155 Ų | 155 | 147.5 Ų | 147.5 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | 15.6 | 123.6 | 124 | -95.5 | -91.8 | 142.3 | 0 | 0 | 118 | Y178 | E175-Y178 PolarHBondContact OE2-OH 3.4Š| |||
| 176 | G | 44.1 | Very low | 49.9 | Very low | 70 Ų | 70 | 144 Ų | 144 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | 156.5 | 31.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 177 | N | 54.8 | Low | 50.8 | Low | 149 Ų | 149 | 143.7 Ų | 143.7 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -109.3 | 81.1 | 178 | -178.7 | 42.8 | 0 | 0 | 0 | 111.4 | ||||
| 178 | Y | 46.2 | Very low | 52.1 | Low | 161 Ų | 161 | 144 Ų | 144 | 63% | 0.631 | 78% | 0.776 | S | S | * | * | trans | -155.9 | 118.7 | 157.4 | 24.2 | -94 | 0 | 0 | 0 | 111.7 | E175 | E175-Y178 PolarHBondContact OE2-OH 3.4Š| ||
| 179 | K | 49.3 | Very low | 53.7 | Low | 200 Ų | 200 | 146.7 Ų | 146.7 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | trans | 88 | 89.8 | 153.2 | -57 | -175.6 | 179.2 | -172.5 | 0 | 118.2 | ||||
| 180 | S | 47.4 | Very low | 55.7 | Low | 112 Ų | 112 | 151.4 Ų | 151.4 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -146 | 55.4 | 136.1 | -163.7 | 0 | 0 | 0 | 0 | 110.8 | V182 | S180-V182 VanDerWaalsContact C-N 3.34Å; S180-V182 PolarHBondContact O-N 3.49Å | ||
| 181 | E | 49.8 | Very low | 57.6 | Low | 192 Ų | 192 | 151 Ų | 151 | 90% | 0.897 | 78% | 0.775 | S | S | * | * | trans | -89.8 | 73.3 | 161.7 | -75.6 | -143.6 | 144.8 | 0 | 0 | 109.4 | ||||
| 182 | V | 55.8 | Low | 59.9 | Low | 128 Ų | 128 | 150 Ų | 150 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -157.7 | 111.7 | 157.2 | -115.3 | 0 | 0 | 0 | 0 | 110.6 | S180 | S180-V182 VanDerWaalsContact C-N 3.34Å; S180-V182 PolarHBondContact O-N 3.49Å |
| 183 | N | 52.4 | Low | 62.6 | Low | 121 Ų | 121 | 145.8 Ų | 145.8 | 65% | 0.647 | 75% | 0.748 | S | S | * | * | trans | 83.3 | 25.4 | 154.7 | -158.3 | 53.4 | 0 | 0 | 0 | 120.4 | K185 | N183-K185 PolarHBondContact O-N 3.47Å; N183-K185 PolarHBondContact OD1-NZ 2.95Å | ||
| 184 | S | 56.4 | Low | 65.2 | Low | 110 Ų | 110 | 145.3 Ų | 145.3 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | trans | -86.3 | 80.2 | 160.4 | -64.7 | 0 | 0 | 0 | 0 | 109.5 | P186 | S184-P186 WeakPolarHBondContact O-CD 3.47Å; S184-P186 VanDerWaalsContact O-N 3.09Å | ||
| 185 | K | 64 | Low | 67.6 | Low | 159 Ų | 159 | 145.9 Ų | 145.9 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 122.5 | 163 | -80.2 | 90.7 | 175 | -178.3 | 0 | 106.2 | N183 R187 | N183-K185 PolarHBondContact O-N 3.47Å; N183-K185 PolarHBondContact OD1-NZ 2.95Å; K185-R187 PolarHBondContact O-N 3.01Å |
| 186 | P | 63.8 | Low | 70.3 | Confident | 122 Ų | 122 | 144.5 Ų | 144.5 | 79% | 0.792 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -56 | 116.5 | -178.5 | 20.6 | -30.8 | 0 | 0 | 0 | 107.7 | S184 K188 | S184-P186 WeakPolarHBondContact O-CD 3.47Å; S184-P186 VanDerWaalsContact O-N 3.09Å; P186-K188 PolarHBondContact O-N 3.34Å |
| 187 | R | 72 | Confident | 72.9 | Confident | 244 Ų | 244 | 142.6 Ų | 142.6 | 92% | 0.921 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 117.4 | 177.3 | -160.7 | -179.5 | -155 | -138.8 | 6.8 | 105.5 | K185 E189 | K185-R187 PolarHBondContact O-N 3.01Å; R187-E189 PolarHBondContact O-N 3.1Å |
| 188 | K | 77.6 | Confident | 74.9 | Confident | 202 Ų | 202 | 138.4 Ų | 138.4 | 88% | 0.878 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -46 | 117.6 | -179.2 | -78 | 164.6 | 176.6 | 169.6 | 0 | 108.6 | P186 R190 | P186-K188 PolarHBondContact O-N 3.34Å; K188-R190 PolarHBondContact O-N 3.43Å |
| 189 | E | 82.2 | Confident | 77.4 | Confident | 181 Ų | 181 | 137.2 Ų | 137.2 | 85% | 0.846 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 138.5 | -178.2 | -173.6 | 147.5 | -165.1 | 0 | 0 | 109.4 | R187 T191 | R187-E189 PolarHBondContact O-N 3.1Å; E189-T191 PolarHBondContact O-N 3.35Å; E189-T191 VanDerWaalsContact O-N 3.11Å |
| 190 | R | 86.8 | Confident | 79.8 | Confident | 238 Ų | 238 | 131 Ų | 131 | 90% | 0.898 | 65% | 0.653 | S | S | * | * | trans | -75.9 | 107.6 | -173.1 | -168.3 | 178.7 | -175.4 | -178.7 | 0.6 | 108.2 | K188 A192 | K188-R190 PolarHBondContact O-N 3.43Å; R190-A192 PolarHBondContact O-N 3.24Å | ||
| 191 | T | 87.3 | Confident | 82.2 | Confident | 107 Ų | 107 | 125.6 Ų | 125.6 | 66% | 0.656 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -68 | 126.1 | 174 | -36.2 | 0 | 0 | 0 | 0 | 110 | E189 | E189-T191 PolarHBondContact O-N 3.35Å; E189-T191 VanDerWaalsContact O-N 3.11Å |
| 192 | A | 94.4 | Very high | 84.5 | Confident | 88 Ų | 88 | 120.4 Ų | 120.4 | 73% | 0.727 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 144.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110 | R190 | R190-A192 PolarHBondContact O-N 3.24Š|
| 193 | F | 97.6 | Very high | 86.5 | Confident | 57 Ų | 57 | 116.4 Ų | 116.4 | 25% | 0.25 | 57% | 0.571 | C | S | . | * | P | Polyproline II helix | trans | -81.2 | 147 | 172.2 | -58.6 | -50.2 | 0 | 0 | 0 | 110.2 | Q197 I198 L225 Q229 W233 | F193-Q197 HydrophobicContact CB-CB 4.28Å; F193-I198 HydrophobicContact CB-CD1 4.39Å; F193-I198 HydrophobicContact CB-CG1 3.99Å; F193-L225 HydrophobicContact CD1-CD1 4.11Å; F193-L225 HydrophobicContact CD1-CD2 3.74Å; F193-L225 HydrophobicContact CE1-CD1 4.07Å; F193-L225 HydrophobicContact CE1-CD2 3.69Å; F193-Q229 HydrophobicContact CE1-CB 4.16Å; F193-Q229 HydrophobicContact CE1-CG 4.26Å; F193-Q229 HydrophobicContact CZ-CB 4.02Å; F193-Q229 HydrophobicContact CZ-CG 4.27Å; F193-W233 AromaticContact CD2-CD1 3.71Å; F193-W233 HydrophobicContact CE2-CB 4.39Å; F193-W233 AromaticContact CE2-CD1 3.62Å; F193-W233 HydrophobicContact CE2-CG 4.39Å |
| 194 | T | 98.3 | Very high | 88.7 | Confident | 77 Ų | 77 | 111.6 Ų | 111.6 | 47% | 0.472 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -68 | 160.4 | 174.9 | 74 | 0 | 0 | 0 | 0 | 110.6 | E196 Q197 I198 | T194-E196 PolarHBondContact O-N 3.23Å; T194-Q197 PolarHBondContact O-N 2.92Å; T194-Q197 VanDerWaalsContact OG1-CG 3.26Å; T194-Q197 WeakPolarHBondContact OG1-CG 3.27Å; T194-Q197 PolarHBondContact OG1-N 3.04Å; T194-I198 WeakPolarHBondContact O-CG1 3.34Å; T194-I198 PolarHBondContact O-N 2.93Å |
| 195 | K | 98 | Very high | 90.7 | Very high | 190 Ų | 190 | 106.8 Ų | 106.8 | 83% | 0.826 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.4 | -38.2 | 177.3 | -173.1 | 179.8 | 178.7 | -175 | 0 | 111.8 | I198 R199 | K195-I198 PolarHBondContact O-N 2.83Å; K195-R199 PolarHBondContact O-N 3.31Å |
| 196 | E | 98.1 | Very high | 92.3 | Very high | 127 Ų | 127 | 103 Ų | 103 | 59% | 0.593 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.7 | -47.3 | 177.7 | -178.5 | 168 | -154.1 | 0 | 0 | 112 | T194 I198 R199 E200 | T194-E196 PolarHBondContact O-N 3.23Å; E196-I198 VanDerWaalsContact C-N 3.26Å; E196-I198 PolarHBondContact O-N 3.11Å; E196-R199 WeakPolarHBondContact O-CB 3.36Å; E196-R199 PolarHBondContact O-N 3.02Å; E196-R199 VanDerWaalsContact O-N 3.08Å; E196-E200 PolarHBondContact O-N 2.9Å; E196-E200 VanDerWaalsContact O-N 3.07Å |
| 197 | Q | 98.4 | Very high | 93.9 | Very high | 30 Ų | 30 | 103.9 Ų | 103.9 | 14% | 0.14 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -56.3 | -42.9 | 174.7 | -72.9 | 171.5 | -24.8 | 0 | 0 | 111.5 | F193 T194 L201 L223 | F193-Q197 HydrophobicContact CB-CB 4.28Å; T194-Q197 PolarHBondContact O-N 2.92Å; T194-Q197 VanDerWaalsContact OG1-CG 3.26Å; T194-Q197 WeakPolarHBondContact OG1-CG 3.27Å; T194-Q197 PolarHBondContact OG1-N 3.04Å; Q197-L201 WeakPolarHBondContact O-CB 3.24Å; Q197-L201 WeakPolarHBondContact O-CD1 3.35Å; Q197-L201 WeakPolarHBondContact O-CG 3.3Å; Q197-L201 PolarHBondContact O-N 3.19Å; Q197-L223 HydrophobicContact CG-CB 4.33Å; Q197-L223 PolarHBondContact NE2-O 3.24Å |
| 198 | I | 98.3 | Very high | 95.1 | Very high | 61 Ų | 61 | 97.4 Ų | 97.4 | 31% | 0.313 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 177.2 | -65 | 165.6 | 0 | 0 | 0 | 110.9 | F193 T194 K195 E196 E200 L201 E202 | F193-I198 HydrophobicContact CB-CD1 4.39Å; F193-I198 HydrophobicContact CB-CG1 3.99Å; T194-I198 WeakPolarHBondContact O-CG1 3.34Å; T194-I198 PolarHBondContact O-N 2.93Å; K195-I198 PolarHBondContact O-N 2.83Å; E196-I198 VanDerWaalsContact C-N 3.26Å; E196-I198 PolarHBondContact O-N 3.11Å; I198-E200 VanDerWaalsContact C-N 3.33Å; I198-E200 PolarHBondContact O-N 2.79Å; I198-L201 PolarHBondContact O-N 3.38Å; I198-E202 HydrophobicContact CG2-CG 4.22Å; I198-E202 WeakPolarHBondContact O-CB 3.29Å; I198-E202 WeakPolarHBondContact O-CG 3.38Å; I198-E202 PolarHBondContact O-N 3.42Å |
| 199 | R | 98.4 | Very high | 96 | Very high | 136 Ų | 136 | 90 Ų | 90 | 51% | 0.513 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -56.9 | -46.4 | 179.5 | -175 | -167.9 | 64.1 | 72 | 3.8 | 111.3 | K195 E196 E202 A203 | K195-R199 PolarHBondContact O-N 3.31Å; E196-R199 WeakPolarHBondContact O-CB 3.36Å; E196-R199 PolarHBondContact O-N 3.02Å; E196-R199 VanDerWaalsContact O-N 3.08Å; R199-E202 PolarHBondContact O-N 3.12Å; R199-A203 WeakPolarHBondContact O-CB 3.44Å; R199-A203 PolarHBondContact O-N 3.06Å |
| 200 | E | 98.4 | Very high | 96.8 | Very high | 68 Ų | 68 | 89 Ų | 89 | 32% | 0.318 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.8 | -41.2 | -180 | -63.7 | -147.1 | 177.6 | 0 | 0 | 112.9 | E196 I198 E202 A203 E204 L223 | E196-E200 PolarHBondContact O-N 2.9Å; E196-E200 VanDerWaalsContact O-N 3.07Å; I198-E200 VanDerWaalsContact C-N 3.33Å; I198-E200 PolarHBondContact O-N 2.79Å; E200-E202 VanDerWaalsContact C-N 3.28Å; E200-E202 PolarHBondContact O-N 3.25Å; E200-A203 PolarHBondContact O-N 3.44Å; E200-E204 PolarHBondContact O-N 3.28Å; E200-L223 HydrophobicContact CB-CD1 4.08Å; E200-L223 HydrophobicContact CB-CD2 3.73Å; E200-L223 HydrophobicContact CB-CG 4.47Å; E200-L223 HydrophobicContact CG-CD2 3.94Å; E200-L223 WeakPolarHBondContact OE2-CD2 3.24Å |
| 201 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.4 | -37.9 | 174.7 | -70.6 | 167.2 | 0 | 0 | 0 | 111.9 | Q197 I198 F205 I219 L223 L225 V230 W233 F234 | Q197-L201 WeakPolarHBondContact O-CB 3.24Å; Q197-L201 WeakPolarHBondContact O-CD1 3.35Å; Q197-L201 WeakPolarHBondContact O-CG 3.3Å; Q197-L201 PolarHBondContact O-N 3.19Å; I198-L201 PolarHBondContact O-N 3.38Å; L201-F205 VanDerWaalsContact O-CB 3.3Å; L201-F205 WeakPolarHBondContact O-CB 3.29Å; L201-F205 PolarHBondContact O-N 3.3Å; L201-I219 HydrophobicContact CD2-CG2 3.86Å; L201-L223 HydrophobicContact CD1-CD1 4.43Å; L201-L223 HydrophobicContact CD2-CD1 3.88Å; L201-L223 HydrophobicContact CG-CD1 3.71Å; L201-L225 HydrophobicContact CD1-CD1 4.17Å; L201-V230 HydrophobicContact CD2-CG1 4.17Å; L201-W233 VanDerWaalsContact C-CH2 3.45Å; L201-W233 HydrophobicContact CB-CD2 3.92Å; L201-W233 HydrophobicContact CB-CE3 3.86Å; L201-W233 HydrophobicContact CB-CH2 3.6Å; L201-W233 HydrophobicContact CB-CZ2 3.63Å; L201-W233 HydrophobicContact CB-CZ3 3.71Å; L201-W233 HydrophobicContact CD1-CB 4.5Å; L201-W233 HydrophobicContact CD1-CD2 3.85Å; L201-W233 HydrophobicContact CD1-CE3 4.46Å; L201-W233 HydrophobicContact CD1-CG 3.83Å; L201-W233 HydrophobicContact CD2-CD2 4.49Å; L201-W233 HydrophobicContact CD2-CE3 4.33Å; L201-W233 HydrophobicContact CG-CD2 4.32Å; L201-W233 HydrophobicContact CG-CE3 4.45Å; L201-W233 WeakPolarHBondContact O-CH2 3.39Å; L201-W233 WeakPolarHBondContact O-CZ3 3.44Å; L201-F234 HydrophobicContact CD2-CD2 4.5Å; L201-F234 HydrophobicContact CD2-CE2 3.93Å |
| 202 | E | 98.4 | Very high | 97.8 | Very high | 83 Ų | 83 | 78.2 Ų | 78.2 | 39% | 0.388 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -70.6 | -41.9 | 175.3 | -73.5 | -170.7 | 151 | 0 | 0 | 112.6 | I198 R199 E200 E204 F205 A206 W233 R237 | I198-E202 HydrophobicContact CG2-CG 4.22Å; I198-E202 WeakPolarHBondContact O-CB 3.29Å; I198-E202 WeakPolarHBondContact O-CG 3.38Å; I198-E202 PolarHBondContact O-N 3.42Å; R199-E202 PolarHBondContact O-N 3.12Å; E200-E202 VanDerWaalsContact C-N 3.28Å; E200-E202 PolarHBondContact O-N 3.25Å; E202-E204 VanDerWaalsContact C-N 3.35Å; E202-F205 PolarHBondContact O-N 3.23Å; E202-A206 PolarHBondContact O-N 3.29Å; E202-W233 HydrophobicContact CG-CH2 3.78Å; E202-W233 HydrophobicContact CG-CZ2 3.8Å; E202-R237 IonicContact OE1-NH1 3.42Å; E202-R237 PolarHBondContact OE1-NH1 2.91Å |
| 203 | A | 98.2 | Very high | 98 | Very high | 43 Ų | 43 | 81.5 Ų | 81.5 | 36% | 0.355 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -57.9 | -49.7 | 174 | 0 | 0 | 0 | 0 | 0 | 110.2 | R199 E200 F205 A206 H207 | R199-A203 WeakPolarHBondContact O-CB 3.44Å; R199-A203 PolarHBondContact O-N 3.06Å; E200-A203 PolarHBondContact O-N 3.44Å; A203-F205 VanDerWaalsContact C-N 3.34Å; A203-F205 PolarHBondContact O-N 3.33Å; A203-A206 WeakPolarHBondContact O-CB 3.34Å; A203-A206 PolarHBondContact O-N 2.95Å; A203-H207 PolarHBondContact O-CE1 3.5Å; A203-H207 PolarHBondContact O-N 3.21Å; A203-H207 PolarHBondContact O-ND1 2.71Å |
| 204 | E | 98.3 | Very high | 98.1 | Very high | 20 Ų | 20 | 84.2 Ų | 84.2 | 9% | 0.093 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 177.4 | -170.9 | 68.7 | -153.1 | 0 | 0 | 112.1 | E200 E202 A206 H207 H208 L211 R215 I219 F234 | E200-E204 PolarHBondContact O-N 3.28Å; E202-E204 VanDerWaalsContact C-N 3.35Å; E204-A206 PolarHBondContact O-N 3.05Å; E204-H207 PolarHBondContact O-N 2.71Å; E204-H208 PolarHBondContact O-N 3.05Å; E204-H208 IonicContact OE1-ND1 3.43Å; E204-L211 HydrophobicContact CG-CD2 3.98Å; E204-R215 VanDerWaalsContact CD-NE 3.32Å; E204-R215 IonicContact OE1-CZ 3.67Å; E204-R215 IonicContact OE1-NE 3.27Å; E204-R215 PolarHBondContact OE1-NE 3.3Å; E204-R215 IonicContact OE1-NH2 3.51Å; E204-R215 PolarHBondContact OE1-NH2 3.33Å; E204-R215 IonicContact OE2-CZ 3.94Å; E204-R215 IonicContact OE2-NE 3.68Å; E204-R215 PolarHBondContact OE2-NE 2.84Å; E204-R215 IonicContact OE2-NH2 2.61Å; E204-R215 PolarHBondContact OE2-NH2 3.42Å; E204-I219 HydrophobicContact CB-CD1 4.43Å; E204-I219 HydrophobicContact CG-CD1 3.62Å; E204-F234 HydrophobicContact CB-CZ 4.18Å; E204-F234 HydrophobicContact CG-CZ 4.02Å |
| 205 | F | 98.3 | Very high | 98.1 | Very high | 9 Ų | 9 | 85 Ų | 85 | 4% | 0.039 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.1 | -33.2 | 179.7 | -174.4 | -95.3 | 0 | 0 | 0 | 113 | L201 E202 A203 H207 H208 N209 W233 F234 R237 R238 W241 | L201-F205 VanDerWaalsContact O-CB 3.3Å; L201-F205 WeakPolarHBondContact O-CB 3.29Å; L201-F205 PolarHBondContact O-N 3.3Å; E202-F205 PolarHBondContact O-N 3.23Å; A203-F205 VanDerWaalsContact C-N 3.34Å; A203-F205 PolarHBondContact O-N 3.33Å; F205-H207 VanDerWaalsContact C-N 3.29Å; F205-H207 PolarHBondContact O-N 3.4Å; F205-H208 WeakPolarHBondContact CA-O 3.16Å; F205-H208 CarbonylContact O-C 3.48Å; F205-N209 WeakPolarHBondContact CE1-OD1 3.5Å; F205-N209 HydrophobicContact CE2-CB 4.01Å; F205-N209 HydrophobicContact CZ-CB 4.14Å; F205-N209 WeakPolarHBondContact CZ-OD1 3.29Å; F205-N209 PolarHBondContact O-ND2 2.89Å; F205-W233 HydrophobicContact CB-CH2 4.41Å; F205-W233 HydrophobicContact CB-CZ3 4.16Å; F205-F234 HydrophobicContact CB-CE1 4.26Å; F205-F234 HydrophobicContact CB-CZ 4.36Å; F205-F234 AromaticContact CD2-CD1 3.89Å; F205-F234 HydrophobicContact CD2-CD1 3.89Å; F205-F234 AromaticContact CD2-CE1 3.83Å; F205-F234 HydrophobicContact CD2-CE1 3.83Å; F205-R237 HydrophobicContact CB-CG 4.4Å; F205-R237 HydrophobicContact CD1-CG 3.71Å; F205-R237 HydrophobicContact CD2-CB 4.24Å; F205-R237 HydrophobicContact CD2-CG 3.54Å; F205-R237 HydrophobicContact CE1-CG 3.79Å; F205-R237 HydrophobicContact CE2-CB 4.21Å; F205-R237 HydrophobicContact CE2-CG 3.63Å; F205-R237 HydrophobicContact CG-CG 3.58Å; F205-R237 HydrophobicContact CZ-CG 3.75Å; F205-R238 HydrophobicContact CE2-CG 3.69Å; F205-R238 HydrophobicContact CZ-CG 4.06Å; F205-W241 HydrophobicContact CE1-CB 4.34Å; F205-W241 HydrophobicContact CE1-CG 4.38Å; F205-W241 HydrophobicContact CZ-CB 4.23Å; F205-W241 HydrophobicContact CZ-CG 4.42Å |
| 206 | A | 97.4 | Very high | 98.1 | Very high | 81 Ų | 81 | 78.5 Ų | 78.5 | 67% | 0.669 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.3 | -35.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | E202 A203 E204 | E202-A206 PolarHBondContact O-N 3.29Å; A203-A206 WeakPolarHBondContact O-CB 3.34Å; A203-A206 PolarHBondContact O-N 2.95Å; E204-A206 PolarHBondContact O-N 3.05Å |
| 207 | H | 97 | Very high | 98.1 | Very high | 140 Ų | 140 | 78.9 Ų | 78.9 | 65% | 0.648 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -78.5 | -48.8 | 175.6 | -58.5 | 93.9 | 0 | 0 | 0 | 111.6 | A203 E204 F205 | A203-H207 PolarHBondContact O-CE1 3.5Å; A203-H207 PolarHBondContact O-N 3.21Å; A203-H207 PolarHBondContact O-ND1 2.71Å; E204-H207 PolarHBondContact O-N 2.71Å; F205-H207 VanDerWaalsContact C-N 3.29Å; F205-H207 PolarHBondContact O-N 3.4Å |
| 208 | H | 96.8 | Very high | 98.2 | Very high | 108 Ų | 108 | 80.7 Ų | 80.7 | 50% | 0.5 | 38% | 0.381 | S | S | . | . | trans | -136.4 | 115.7 | -175.3 | -58.5 | 101.2 | 0 | 0 | 0 | 110.8 | E204 F205 Y210 F234 | E204-H208 PolarHBondContact O-N 3.05Å; E204-H208 IonicContact OE1-ND1 3.43Å; F205-H208 WeakPolarHBondContact CA-O 3.16Å; F205-H208 CarbonylContact O-C 3.48Å; H208-Y210 PolarHBondContact O-N 3.48Å; H208-F234 WeakPolarHBondContact O-CE1 3.26Å | ||
| 209 | N | 97.1 | Very high | 98.2 | Very high | 45 Ų | 45 | 78.3 Ų | 78.3 | 24% | 0.241 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -74.6 | -13.6 | -179 | -76.2 | -117.3 | 0 | 0 | 0 | 112.6 | F205 R238 | F205-N209 WeakPolarHBondContact CE1-OD1 3.5Å; F205-N209 HydrophobicContact CE2-CB 4.01Å; F205-N209 HydrophobicContact CZ-CB 4.14Å; F205-N209 WeakPolarHBondContact CZ-OD1 3.29Å; F205-N209 PolarHBondContact O-ND2 2.89Å; N209-R238 WeakPolarHBondContact O-CD 3.43Å |
| 210 | Y | 98.1 | Very high | 98.2 | Very high | 161 Ų | 161 | 72.1 Ų | 72.1 | 63% | 0.631 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -135.6 | 136.7 | -178.1 | -66.1 | -110.6 | 0 | 0 | 0 | 108.7 | H208 R238 | H208-Y210 PolarHBondContact O-N 3.48Å; Y210-R238 VanDerWaalsContact CD1-NH1 3.32Å |
| 211 | L | 98.2 | Very high | 98.2 | Very high | 27 Ų | 27 | 72.5 Ų | 72.5 | 14% | 0.141 | 35% | 0.354 | C | S | . | . | trans | -101.4 | 138.2 | -179 | -61.5 | 178.5 | 0 | 0 | 0 | 111.8 | E204 R215 R216 I219 V230 F234 | E204-L211 HydrophobicContact CG-CD2 3.98Å; L211-R215 HydrophobicContact CD2-CG 3.93Å; L211-R216 HydrophobicContact CB-CB 4.31Å; L211-R216 HydrophobicContact CD1-CB 4.25Å; L211-R216 HydrophobicContact CD1-CG 4.45Å; L211-I219 HydrophobicContact CD1-CD1 3.78Å; L211-I219 HydrophobicContact CD2-CD1 3.7Å; L211-I219 HydrophobicContact CG-CD1 4.39Å; L211-V230 HydrophobicContact CD1-CG1 3.61Å; L211-F234 HydrophobicContact CD1-CD1 4.04Å; L211-F234 HydrophobicContact CD1-CD2 3.59Å; L211-F234 HydrophobicContact CD1-CE1 3.91Å; L211-F234 HydrophobicContact CD1-CE2 3.48Å; L211-F234 VanDerWaalsContact CD1-CE2 3.48Å; L211-F234 HydrophobicContact CD1-CG 3.89Å; L211-F234 HydrophobicContact CD1-CZ 3.65Å; L211-F234 HydrophobicContact CD2-CD1 4.37Å; L211-F234 HydrophobicContact CD2-CE1 3.65Å; L211-F234 HydrophobicContact CD2-CE2 4.37Å; L211-F234 HydrophobicContact CD2-CZ 3.66Å; L211-F234 HydrophobicContact CG-CD1 3.74Å; L211-F234 HydrophobicContact CG-CD2 4.23Å; L211-F234 HydrophobicContact CG-CE1 3.52Å; L211-F234 HydrophobicContact CG-CE2 4.06Å; L211-F234 HydrophobicContact CG-CG 4.09Å; L211-F234 HydrophobicContact CG-CZ 3.71Å | ||
| 212 | T | 98.5 | Very high | 98.1 | Very high | 91 Ų | 91 | 78 Ų | 78 | 56% | 0.558 | 38% | 0.383 | S | S | * | . | trans | -69.8 | 169 | 163.2 | 67.8 | 0 | 0 | 0 | 0 | 110.6 | R215 R216 | T212-R215 WeakPolarHBondContact OG1-CB 3.41Å; T212-R215 PolarHBondContact OG1-N 3.07Å; T212-R216 WeakPolarHBondContact O-CB 3.43Å; T212-R216 PolarHBondContact O-N 3.4Å; T212-R216 VanDerWaalsContact O-N 3.11Å | ||
| 213 | R | 98.4 | Very high | 98.1 | Very high | 157 Ų | 157 | 74.6 Ų | 74.6 | 59% | 0.592 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62.7 | -47 | 177.1 | 180 | 133.5 | -171.9 | 68.5 | 6.1 | 111.4 | R216 Y217 E227 | R213-R216 PolarHBondContact O-N 3.24Å; R213-Y217 PolarHBondContact O-N 3.28Å; R213-E227 IonicContact CZ-OE1 3.38Å; R213-E227 IonicContact CZ-OE2 3.48Å; R213-E227 VanDerWaalsContact NH1-CD 3.35Å; R213-E227 IonicContact NH1-OE1 3.49Å; R213-E227 PolarHBondContact NH1-OE1 3.07Å; R213-E227 IonicContact NH1-OE2 2.88Å; R213-E227 PolarHBondContact NH1-OE2 3.43Å; R213-E227 IonicContact NH2-OE1 3.66Å; R213-E227 PolarHBondContact NH2-OE1 2.79Å; R213-E227 IonicContact NH2-OE2 2.84Å |
| 214 | L | 98.4 | Very high | 98.1 | Very high | 115 Ų | 115 | 79.5 Ų | 79.5 | 60% | 0.602 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.8 | -50.1 | 179.4 | -178.7 | 60.8 | 0 | 0 | 0 | 111.4 | R216 Y217 E218 | L214-R216 VanDerWaalsContact C-N 3.28Å; L214-R216 PolarHBondContact O-N 2.91Å; L214-Y217 WeakPolarHBondContact O-CB 3.44Å; L214-Y217 PolarHBondContact O-N 3.4Å; L214-E218 PolarHBondContact O-N 3.27Å |
| 215 | R | 98.4 | Very high | 98.1 | Very high | 94 Ų | 94 | 79.4 Ų | 79.4 | 36% | 0.355 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.5 | -37.1 | -178.7 | -171.1 | 56.6 | 175 | 172.2 | 2.3 | 112.6 | E204 L211 T212 Y217 E218 I219 | E204-R215 VanDerWaalsContact CD-NE 3.32Å; E204-R215 IonicContact OE1-CZ 3.67Å; E204-R215 IonicContact OE1-NE 3.27Å; E204-R215 PolarHBondContact OE1-NE 3.3Å; E204-R215 IonicContact OE1-NH2 3.51Å; E204-R215 PolarHBondContact OE1-NH2 3.33Å; E204-R215 IonicContact OE2-CZ 3.94Å; E204-R215 IonicContact OE2-NE 3.68Å; E204-R215 PolarHBondContact OE2-NE 2.84Å; E204-R215 IonicContact OE2-NH2 2.61Å; E204-R215 PolarHBondContact OE2-NH2 3.42Å; L211-R215 HydrophobicContact CD2-CG 3.93Å; T212-R215 WeakPolarHBondContact OG1-CB 3.41Å; T212-R215 PolarHBondContact OG1-N 3.07Å; R215-Y217 VanDerWaalsContact C-N 3.33Å; R215-Y217 PolarHBondContact O-N 3.43Å; R215-E218 WeakPolarHBondContact CD-OE2 3.4Å; R215-E218 IonicContact CZ-OE2 3.5Å; R215-E218 IonicContact NE-OE2 2.68Å; R215-E218 IonicContact NH1-OE2 2.88Å; R215-E218 PolarHBondContact NH1-OE2 3.08Å; R215-E218 PolarHBondContact O-N 2.86Å; R215-I219 HydrophobicContact CG-CD1 3.95Å; R215-I219 VanDerWaalsContact O-CD1 3.29Å; R215-I219 WeakPolarHBondContact O-CD1 3.39Å; R215-I219 VanDerWaalsContact O-CG1 3.27Å; R215-I219 WeakPolarHBondContact O-CG1 3.34Å; R215-I219 PolarHBondContact O-N 3.04Å; R215-I219 VanDerWaalsContact O-N 3.13Å |
| 216 | R | 98.8 | Very high | 98.1 | Very high | 53 Ų | 53 | 82.8 Ų | 82.8 | 20% | 0.2 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.9 | -41.1 | 174.3 | -174.6 | -167.1 | -54.4 | 162.6 | 9.3 | 112.3 | L211 T212 R213 L214 A220 E227 V230 | L211-R216 HydrophobicContact CB-CB 4.31Å; L211-R216 HydrophobicContact CD1-CB 4.25Å; L211-R216 HydrophobicContact CD1-CG 4.45Å; T212-R216 WeakPolarHBondContact O-CB 3.43Å; T212-R216 PolarHBondContact O-N 3.4Å; T212-R216 VanDerWaalsContact O-N 3.11Å; R213-R216 PolarHBondContact O-N 3.24Å; L214-R216 VanDerWaalsContact C-N 3.28Å; L214-R216 PolarHBondContact O-N 2.91Å; R216-A220 VanDerWaalsContact O-CB 3.24Å; R216-A220 WeakPolarHBondContact O-CB 3.48Å; R216-A220 PolarHBondContact O-N 2.99Å; R216-E227 WeakPolarHBondContact CD-O 3.46Å; R216-E227 HydrophobicContact CG-CB 4.35Å; R216-V230 HydrophobicContact CG-CB 4.24Å; R216-V230 HydrophobicContact CG-CG1 4.11Å |
| 217 | Y | 98.7 | Very high | 98.2 | Very high | 135 Ų | 135 | 81.4 Ų | 81.4 | 53% | 0.529 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.1 | -46.7 | 177.7 | 170.4 | -97.5 | 0 | 0 | 0 | 111 | R213 L214 R215 I219 A220 V221 | R213-Y217 PolarHBondContact O-N 3.28Å; L214-Y217 WeakPolarHBondContact O-CB 3.44Å; L214-Y217 PolarHBondContact O-N 3.4Å; R215-Y217 VanDerWaalsContact C-N 3.33Å; R215-Y217 PolarHBondContact O-N 3.43Å; Y217-I219 PolarHBondContact O-N 3.27Å; Y217-A220 WeakPolarHBondContact O-CB 3.3Å; Y217-A220 PolarHBondContact O-N 3.32Å; Y217-A220 VanDerWaalsContact O-N 3.17Å; Y217-V221 HydrophobicContact CD2-CG2 4.34Å; Y217-V221 HydrophobicContact CE1-CG2 4.09Å; Y217-V221 HydrophobicContact CE2-CG2 3.85Å; Y217-V221 WeakPolarHBondContact O-CG2 3.34Å; Y217-V221 PolarHBondContact O-N 2.88Å |
| 218 | E | 98.6 | Very high | 98.2 | Very high | 67 Ų | 67 | 84 Ų | 84 | 31% | 0.313 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -56.4 | -48.4 | 177.5 | -66.4 | 171 | 171.5 | 0 | 0 | 112.1 | L214 R215 A220 V221 N222 | L214-E218 PolarHBondContact O-N 3.27Å; R215-E218 WeakPolarHBondContact CD-OE2 3.4Å; R215-E218 IonicContact CZ-OE2 3.5Å; R215-E218 IonicContact NE-OE2 2.68Å; R215-E218 IonicContact NH1-OE2 2.88Å; R215-E218 PolarHBondContact NH1-OE2 3.08Å; R215-E218 PolarHBondContact O-N 2.86Å; E218-A220 VanDerWaalsContact C-N 3.32Å; E218-A220 PolarHBondContact O-N 3.28Å; E218-V221 PolarHBondContact O-N 3.33Å; E218-N222 WeakPolarHBondContact O-CB 3.34Å; E218-N222 VanDerWaalsContact O-CG 3.23Å; E218-N222 PolarHBondContact O-N 3.06Å; E218-N222 PolarHBondContact O-OD1 3.31Å |
| 219 | I | 98.4 | Very high | 98.3 | Very high | 12 Ų | 12 | 81.4 Ų | 81.4 | 6% | 0.062 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 179 | -64.1 | 158.7 | 0 | 0 | 0 | 111.4 | L201 E204 L211 R215 Y217 V221 N222 L223 V230 | L201-I219 HydrophobicContact CD2-CG2 3.86Å; E204-I219 HydrophobicContact CB-CD1 4.43Å; E204-I219 HydrophobicContact CG-CD1 3.62Å; L211-I219 HydrophobicContact CD1-CD1 3.78Å; L211-I219 HydrophobicContact CD2-CD1 3.7Å; L211-I219 HydrophobicContact CG-CD1 4.39Å; R215-I219 HydrophobicContact CG-CD1 3.95Å; R215-I219 VanDerWaalsContact O-CD1 3.29Å; R215-I219 WeakPolarHBondContact O-CD1 3.39Å; R215-I219 VanDerWaalsContact O-CG1 3.27Å; R215-I219 WeakPolarHBondContact O-CG1 3.34Å; R215-I219 PolarHBondContact O-N 3.04Å; R215-I219 VanDerWaalsContact O-N 3.13Å; Y217-I219 PolarHBondContact O-N 3.27Å; I219-V221 VanDerWaalsContact C-N 3.34Å; I219-N222 PolarHBondContact O-N 3.07Å; I219-L223 HydrophobicContact CG2-CD1 3.68Å; I219-L223 HydrophobicContact CG2-CG 4.3Å; I219-L223 WeakPolarHBondContact O-CB 3.42Å; I219-L223 WeakPolarHBondContact O-CG 3.4Å; I219-L223 PolarHBondContact O-N 3.01Å; I219-L223 VanDerWaalsContact O-N 3.1Å; I219-V230 HydrophobicContact CB-CG1 4.48Å; I219-V230 HydrophobicContact CG2-CG1 4.04Å; I219-V230 HydrophobicContact CG2-CG2 4.22Å |
| 220 | A | 98.6 | Very high | 98.4 | Very high | 6 Ų | 6 | 79.3 Ų | 79.3 | 5% | 0.05 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111 | R216 Y217 E218 D224 L225 E227 V230 | R216-A220 VanDerWaalsContact O-CB 3.24Å; R216-A220 WeakPolarHBondContact O-CB 3.48Å; R216-A220 PolarHBondContact O-N 2.99Å; Y217-A220 WeakPolarHBondContact O-CB 3.3Å; Y217-A220 PolarHBondContact O-N 3.32Å; Y217-A220 VanDerWaalsContact O-N 3.17Å; E218-A220 VanDerWaalsContact C-N 3.32Å; E218-A220 PolarHBondContact O-N 3.28Å; A220-D224 PolarHBondContact O-N 2.93Å; A220-L225 CarbonylContact C-O 3.38Å; A220-L225 WeakPolarHBondContact CA-O 3.42Å; A220-L225 VanDerWaalsContact CB-O 3.24Å; A220-L225 WeakPolarHBondContact CB-O 3.37Å; A220-L225 PolarHBondContact O-N 3.39Å; A220-E227 HydrophobicContact CB-CG 4.14Å; A220-V230 HydrophobicContact CB-CG2 4.14Å |
| 221 | V | 98.6 | Very high | 98.4 | Very high | 76 Ų | 76 | 77.3 Ų | 77.3 | 46% | 0.461 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.1 | -48.8 | 176.5 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | Y217 E218 I219 L223 D224 | Y217-V221 HydrophobicContact CD2-CG2 4.34Å; Y217-V221 HydrophobicContact CE1-CG2 4.09Å; Y217-V221 HydrophobicContact CE2-CG2 3.85Å; Y217-V221 WeakPolarHBondContact O-CG2 3.34Å; Y217-V221 PolarHBondContact O-N 2.88Å; E218-V221 PolarHBondContact O-N 3.33Å; I219-V221 VanDerWaalsContact C-N 3.34Å; V221-L223 PolarHBondContact O-N 3.18Å; V221-D224 PolarHBondContact O-N 3.4Å |
| 222 | N | 98.1 | Very high | 98.4 | Very high | 115 Ų | 115 | 78.9 Ų | 78.9 | 62% | 0.615 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.9 | -27.1 | -175.5 | -69.2 | 1.8 | 0 | 0 | 0 | 113.8 | E218 I219 | E218-N222 WeakPolarHBondContact O-CB 3.34Å; E218-N222 VanDerWaalsContact O-CG 3.23Å; E218-N222 PolarHBondContact O-N 3.06Å; E218-N222 PolarHBondContact O-OD1 3.31Å; I219-N222 PolarHBondContact O-N 3.07Å |
| 223 | L | 98.1 | Very high | 98.3 | Very high | 11 Ų | 11 | 76 Ų | 76 | 6% | 0.058 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 4.1 | -176.2 | -62.4 | -175.7 | 0 | 0 | 0 | 114 | Q197 E200 L201 I219 V221 L225 | Q197-L223 HydrophobicContact CG-CB 4.33Å; Q197-L223 PolarHBondContact NE2-O 3.24Å; E200-L223 HydrophobicContact CB-CD1 4.08Å; E200-L223 HydrophobicContact CB-CD2 3.73Å; E200-L223 HydrophobicContact CB-CG 4.47Å; E200-L223 HydrophobicContact CG-CD2 3.94Å; E200-L223 WeakPolarHBondContact OE2-CD2 3.24Å; L201-L223 HydrophobicContact CD1-CD1 4.43Å; L201-L223 HydrophobicContact CD2-CD1 3.88Å; L201-L223 HydrophobicContact CG-CD1 3.71Å; I219-L223 HydrophobicContact CG2-CD1 3.68Å; I219-L223 HydrophobicContact CG2-CG 4.3Å; I219-L223 WeakPolarHBondContact O-CB 3.42Å; I219-L223 WeakPolarHBondContact O-CG 3.4Å; I219-L223 PolarHBondContact O-N 3.01Å; I219-L223 VanDerWaalsContact O-N 3.1Å; V221-L223 PolarHBondContact O-N 3.18Å; L223-L225 HydrophobicContact CB-CD1 4.16Å; L223-L225 HydrophobicContact CB-CG 4.06Å; L223-L225 PolarHBondContact O-N 3.18Å |
| 224 | D | 98.3 | Very high | 98.4 | Very high | 147 Ų | 147 | 68.8 Ų | 68.8 | 79% | 0.786 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 42.5 | -172.1 | -64.3 | -52.4 | 0 | 0 | 0 | 112.8 | A220 V221 | A220-D224 PolarHBondContact O-N 2.93Å; V221-D224 PolarHBondContact O-N 3.4Å |
| 225 | L | 97.9 | Very high | 98.4 | Very high | 18 Ų | 18 | 68.4 Ų | 68.4 | 9% | 0.094 | 32% | 0.322 | C | S | . | . | trans | -115.2 | 155.3 | 177.3 | -65 | -177.7 | 0 | 0 | 0 | 110.6 | F193 L201 A220 L223 Q229 V230 | F193-L225 HydrophobicContact CD1-CD1 4.11Å; F193-L225 HydrophobicContact CD1-CD2 3.74Å; F193-L225 HydrophobicContact CE1-CD1 4.07Å; F193-L225 HydrophobicContact CE1-CD2 3.69Å; L201-L225 HydrophobicContact CD1-CD1 4.17Å; A220-L225 CarbonylContact C-O 3.38Å; A220-L225 WeakPolarHBondContact CA-O 3.42Å; A220-L225 VanDerWaalsContact CB-O 3.24Å; A220-L225 WeakPolarHBondContact CB-O 3.37Å; A220-L225 PolarHBondContact O-N 3.39Å; L223-L225 HydrophobicContact CB-CD1 4.16Å; L223-L225 HydrophobicContact CB-CG 4.06Å; L223-L225 PolarHBondContact O-N 3.18Å; L225-Q229 HydrophobicContact CB-CB 4.44Å; L225-V230 HydrophobicContact CB-CG2 4.07Å; L225-V230 HydrophobicContact CD1-CG2 4.4Å | ||
| 226 | T | 98.4 | Very high | 98.3 | Very high | 79 Ų | 79 | 68.5 Ų | 68.5 | 49% | 0.485 | 33% | 0.33 | S | S | . | . | trans | -74.6 | 148.1 | 169 | 64 | 0 | 0 | 0 | 0 | 110.8 | R228 Q229 V230 | T226-R228 PolarHBondContact O-N 3.39Å; T226-Q229 WeakPolarHBondContact O-CB 3.39Å; T226-Q229 PolarHBondContact O-N 3.08Å; T226-Q229 VanDerWaalsContact OG1-CG 3.29Å; T226-Q229 WeakPolarHBondContact OG1-CG 3.34Å; T226-Q229 PolarHBondContact OG1-N 3.34Å; T226-Q229 PolarHBondContact OG1-OE1 3.44Å; T226-V230 PolarHBondContact O-N 3.36Å; T226-V230 VanDerWaalsContact O-N 3.12Å | ||
| 227 | E | 98.5 | Very high | 98.3 | Very high | 52 Ų | 52 | 69 Ų | 69 | 24% | 0.243 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -51.5 | -34.3 | 172.5 | -66.4 | -160.8 | -96 | 0 | 0 | 112.6 | R213 R216 A220 K231 | R213-E227 IonicContact CZ-OE1 3.38Å; R213-E227 IonicContact CZ-OE2 3.48Å; R213-E227 VanDerWaalsContact NH1-CD 3.35Å; R213-E227 IonicContact NH1-OE1 3.49Å; R213-E227 PolarHBondContact NH1-OE1 3.07Å; R213-E227 IonicContact NH1-OE2 2.88Å; R213-E227 PolarHBondContact NH1-OE2 3.43Å; R213-E227 IonicContact NH2-OE1 3.66Å; R213-E227 PolarHBondContact NH2-OE1 2.79Å; R213-E227 IonicContact NH2-OE2 2.84Å; R216-E227 WeakPolarHBondContact CD-O 3.46Å; R216-E227 HydrophobicContact CG-CB 4.35Å; A220-E227 HydrophobicContact CB-CG 4.14Å; E227-K231 VanDerWaalsContact O-CB 3.3Å; E227-K231 WeakPolarHBondContact O-CB 3.35Å; E227-K231 PolarHBondContact O-N 3.26Å |
| 228 | R | 98 | Very high | 98.2 | Very high | 194 Ų | 194 | 65.9 Ų | 65.9 | 73% | 0.732 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64.7 | -45.1 | 176 | 175.5 | 178.8 | -95.2 | -99.7 | 4.6 | 111.5 | T226 K231 V232 | T226-R228 PolarHBondContact O-N 3.39Å; R228-K231 PolarHBondContact O-N 3.4Å; R228-V232 HydrophobicContact CG-CG2 4.44Å; R228-V232 WeakPolarHBondContact O-CB 3.37Å; R228-V232 VanDerWaalsContact O-CG2 3.29Å; R228-V232 WeakPolarHBondContact O-CG2 3.06Å; R228-V232 PolarHBondContact O-N 2.86Å |
| 229 | Q | 98.1 | Very high | 98.1 | Very high | 55 Ų | 55 | 66.8 Ų | 66.8 | 26% | 0.257 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 177.6 | -78.1 | 162 | -52.5 | 0 | 0 | 111.1 | F193 L225 T226 K231 V232 W233 | F193-Q229 HydrophobicContact CE1-CB 4.16Å; F193-Q229 HydrophobicContact CE1-CG 4.26Å; F193-Q229 HydrophobicContact CZ-CB 4.02Å; F193-Q229 HydrophobicContact CZ-CG 4.27Å; L225-Q229 HydrophobicContact CB-CB 4.44Å; T226-Q229 WeakPolarHBondContact O-CB 3.39Å; T226-Q229 PolarHBondContact O-N 3.08Å; T226-Q229 VanDerWaalsContact OG1-CG 3.29Å; T226-Q229 WeakPolarHBondContact OG1-CG 3.34Å; T226-Q229 PolarHBondContact OG1-N 3.34Å; T226-Q229 PolarHBondContact OG1-OE1 3.44Å; Q229-K231 VanDerWaalsContact C-N 3.34Å; Q229-K231 PolarHBondContact O-N 3.49Å; Q229-V232 PolarHBondContact O-N 3.42Å; Q229-W233 WeakPolarHBondContact O-CB 3.47Å; Q229-W233 PolarHBondContact O-N 3.11Å |
| 230 | V | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 175.9 | -179 | 0 | 0 | 0 | 0 | 110.5 | L201 L211 R216 I219 A220 L225 T226 V232 W233 F234 | L201-V230 HydrophobicContact CD2-CG1 4.17Å; L211-V230 HydrophobicContact CD1-CG1 3.61Å; R216-V230 HydrophobicContact CG-CB 4.24Å; R216-V230 HydrophobicContact CG-CG1 4.11Å; I219-V230 HydrophobicContact CB-CG1 4.48Å; I219-V230 HydrophobicContact CG2-CG1 4.04Å; I219-V230 HydrophobicContact CG2-CG2 4.22Å; A220-V230 HydrophobicContact CB-CG2 4.14Å; L225-V230 HydrophobicContact CB-CG2 4.07Å; L225-V230 HydrophobicContact CD1-CG2 4.4Å; T226-V230 PolarHBondContact O-N 3.36Å; T226-V230 VanDerWaalsContact O-N 3.12Å; V230-V232 PolarHBondContact O-N 3.25Å; V230-W233 PolarHBondContact O-N 2.99Å; V230-F234 HydrophobicContact CG1-CD2 4Å; V230-F234 HydrophobicContact CG1-CE2 4.15Å; V230-F234 WeakPolarHBondContact O-CD2 3.3Å; V230-F234 PolarHBondContact O-N 2.95Å |
| 231 | K | 98.1 | Very high | 97.7 | Very high | 119 Ų | 119 | 76.7 Ų | 76.7 | 52% | 0.517 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58 | -46.6 | 176.5 | -177.7 | -177 | 179.2 | -178 | 0 | 112.3 | E227 R228 Q229 Q235 | E227-K231 VanDerWaalsContact O-CB 3.3Å; E227-K231 WeakPolarHBondContact O-CB 3.35Å; E227-K231 PolarHBondContact O-N 3.26Å; R228-K231 PolarHBondContact O-N 3.4Å; Q229-K231 VanDerWaalsContact C-N 3.34Å; Q229-K231 PolarHBondContact O-N 3.49Å; K231-Q235 PolarHBondContact O-N 3.21Å |
| 232 | V | 98.3 | Very high | 97.5 | Very high | 61 Ų | 61 | 79.2 Ų | 79.2 | 37% | 0.37 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.4 | -41.7 | 179.5 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | R228 Q229 V230 Q235 N236 | R228-V232 HydrophobicContact CG-CG2 4.44Å; R228-V232 WeakPolarHBondContact O-CB 3.37Å; R228-V232 VanDerWaalsContact O-CG2 3.29Å; R228-V232 WeakPolarHBondContact O-CG2 3.06Å; R228-V232 PolarHBondContact O-N 2.86Å; Q229-V232 PolarHBondContact O-N 3.42Å; V230-V232 PolarHBondContact O-N 3.25Å; V232-Q235 PolarHBondContact O-N 2.87Å; V232-N236 PolarHBondContact O-N 3.13Å; V232-N236 PolarHBondContact O-ND2 2.89Å |
| 233 | W | 98.3 | Very high | 97.1 | Very high | 30 Ų | 30 | 81.6 Ų | 81.6 | 11% | 0.114 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.4 | -48.3 | 176.9 | -170.8 | 101.5 | 0 | 0 | 0 | 111.2 | F193 L201 E202 F205 Q229 V230 Q235 N236 R237 | F193-W233 AromaticContact CD2-CD1 3.71Å; F193-W233 HydrophobicContact CE2-CB 4.39Å; F193-W233 AromaticContact CE2-CD1 3.62Å; F193-W233 HydrophobicContact CE2-CG 4.39Å; L201-W233 VanDerWaalsContact C-CH2 3.45Å; L201-W233 HydrophobicContact CB-CD2 3.92Å; L201-W233 HydrophobicContact CB-CE3 3.86Å; L201-W233 HydrophobicContact CB-CH2 3.6Å; L201-W233 HydrophobicContact CB-CZ2 3.63Å; L201-W233 HydrophobicContact CB-CZ3 3.71Å; L201-W233 HydrophobicContact CD1-CB 4.5Å; L201-W233 HydrophobicContact CD1-CD2 3.85Å; L201-W233 HydrophobicContact CD1-CE3 4.46Å; L201-W233 HydrophobicContact CD1-CG 3.83Å; L201-W233 HydrophobicContact CD2-CD2 4.49Å; L201-W233 HydrophobicContact CD2-CE3 4.33Å; L201-W233 HydrophobicContact CG-CD2 4.32Å; L201-W233 HydrophobicContact CG-CE3 4.45Å; L201-W233 WeakPolarHBondContact O-CH2 3.39Å; L201-W233 WeakPolarHBondContact O-CZ3 3.44Å; E202-W233 HydrophobicContact CG-CH2 3.78Å; E202-W233 HydrophobicContact CG-CZ2 3.8Å; F205-W233 HydrophobicContact CB-CH2 4.41Å; F205-W233 HydrophobicContact CB-CZ3 4.16Å; Q229-W233 WeakPolarHBondContact O-CB 3.47Å; Q229-W233 PolarHBondContact O-N 3.11Å; V230-W233 PolarHBondContact O-N 2.99Å; W233-Q235 VanDerWaalsContact C-N 3.3Å; W233-Q235 PolarHBondContact O-N 3.18Å; W233-N236 PolarHBondContact O-N 3.42Å; W233-R237 HydrophobicContact CD2-CB 4.47Å; W233-R237 HydrophobicContact CE3-CB 3.92Å; W233-R237 HydrophobicContact CE3-CG 4.42Å; W233-R237 HydrophobicContact CH2-CB 4.07Å; W233-R237 HydrophobicContact CH2-CG 3.76Å; W233-R237 HydrophobicContact CZ3-CB 3.69Å; W233-R237 HydrophobicContact CZ3-CG 3.69Å; W233-R237 VanDerWaalsContact O-CB 3.3Å; W233-R237 WeakPolarHBondContact O-CB 3.39Å; W233-R237 PolarHBondContact O-N 2.95Å |
| 234 | F | 98.6 | Very high | 96.5 | Very high | 6 Ų | 6 | 85.2 Ų | 85.2 | 3% | 0.026 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.2 | -33.7 | 177.3 | -92.6 | -104.2 | 0 | 0 | 0 | 113 | L201 E204 F205 H208 L211 V230 R238 | L201-F234 HydrophobicContact CD2-CD2 4.5Å; L201-F234 HydrophobicContact CD2-CE2 3.93Å; E204-F234 HydrophobicContact CB-CZ 4.18Å; E204-F234 HydrophobicContact CG-CZ 4.02Å; F205-F234 HydrophobicContact CB-CE1 4.26Å; F205-F234 HydrophobicContact CB-CZ 4.36Å; F205-F234 AromaticContact CD2-CD1 3.89Å; F205-F234 HydrophobicContact CD2-CD1 3.89Å; F205-F234 AromaticContact CD2-CE1 3.83Å; F205-F234 HydrophobicContact CD2-CE1 3.83Å; H208-F234 WeakPolarHBondContact O-CE1 3.26Å; L211-F234 HydrophobicContact CD1-CD1 4.04Å; L211-F234 HydrophobicContact CD1-CD2 3.59Å; L211-F234 HydrophobicContact CD1-CE1 3.91Å; L211-F234 HydrophobicContact CD1-CE2 3.48Å; L211-F234 VanDerWaalsContact CD1-CE2 3.48Å; L211-F234 HydrophobicContact CD1-CG 3.89Å; L211-F234 HydrophobicContact CD1-CZ 3.65Å; L211-F234 HydrophobicContact CD2-CD1 4.37Å; L211-F234 HydrophobicContact CD2-CE1 3.65Å; L211-F234 HydrophobicContact CD2-CE2 4.37Å; L211-F234 HydrophobicContact CD2-CZ 3.66Å; L211-F234 HydrophobicContact CG-CD1 3.74Å; L211-F234 HydrophobicContact CG-CD2 4.23Å; L211-F234 HydrophobicContact CG-CE1 3.52Å; L211-F234 HydrophobicContact CG-CE2 4.06Å; L211-F234 HydrophobicContact CG-CG 4.09Å; L211-F234 HydrophobicContact CG-CZ 3.71Å; V230-F234 HydrophobicContact CG1-CD2 4Å; V230-F234 HydrophobicContact CG1-CE2 4.15Å; V230-F234 WeakPolarHBondContact O-CD2 3.3Å; V230-F234 PolarHBondContact O-N 2.95Å; F234-R238 WeakPolarHBondContact O-CG 3.49Å; F234-R238 PolarHBondContact O-N 3.41Å; F234-R238 VanDerWaalsContact O-N 3.07Å; F234-R238 PolarHBondContact O-NE 3.5Å |
| 235 | Q | 98.4 | Very high | 95.5 | Very high | 106 Ų | 106 | 85.1 Ų | 85.1 | 50% | 0.495 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.8 | -49.5 | 173 | -172.1 | 173.5 | 62.9 | 0 | 0 | 111.1 | K231 V232 W233 R237 R238 M239 | K231-Q235 PolarHBondContact O-N 3.21Å; V232-Q235 PolarHBondContact O-N 2.87Å; W233-Q235 VanDerWaalsContact C-N 3.3Å; W233-Q235 PolarHBondContact O-N 3.18Å; Q235-R237 VanDerWaalsContact C-N 3.3Å; Q235-R237 PolarHBondContact O-N 3.43Å; Q235-R238 PolarHBondContact O-N 3.34Å; Q235-M239 WeakPolarHBondContact O-CG 3.44Å; Q235-M239 PolarHBondContact O-N 2.98Å; Q235-M239 VanDerWaalsContact O-N 3.08Å |
| 236 | N | 97.7 | Very high | 93.8 | Very high | 97 Ų | 97 | 86.4 Ų | 86.4 | 52% | 0.519 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 177.3 | -71.5 | -22.6 | 0 | 0 | 0 | 112 | V232 W233 M239 K240 | V232-N236 PolarHBondContact O-N 3.13Å; V232-N236 PolarHBondContact O-ND2 2.89Å; W233-N236 PolarHBondContact O-N 3.42Å; N236-M239 PolarHBondContact O-N 2.97Å; N236-K240 PolarHBondContact O-N 3.49Å |
| 237 | R | 97.8 | Very high | 91.6 | Very high | 62 Ų | 62 | 83.5 Ų | 83.5 | 23% | 0.234 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 178.8 | -177.6 | 63.5 | -166.7 | 176.2 | 3.7 | 111.6 | E202 F205 W233 Q235 M239 K240 W241 | E202-R237 IonicContact OE1-NH1 3.42Å; E202-R237 PolarHBondContact OE1-NH1 2.91Å; F205-R237 HydrophobicContact CB-CG 4.4Å; F205-R237 HydrophobicContact CD1-CG 3.71Å; F205-R237 HydrophobicContact CD2-CB 4.24Å; F205-R237 HydrophobicContact CD2-CG 3.54Å; F205-R237 HydrophobicContact CE1-CG 3.79Å; F205-R237 HydrophobicContact CE2-CB 4.21Å; F205-R237 HydrophobicContact CE2-CG 3.63Å; F205-R237 HydrophobicContact CG-CG 3.58Å; F205-R237 HydrophobicContact CZ-CG 3.75Å; W233-R237 HydrophobicContact CD2-CB 4.47Å; W233-R237 HydrophobicContact CE3-CB 3.92Å; W233-R237 HydrophobicContact CE3-CG 4.42Å; W233-R237 HydrophobicContact CH2-CB 4.07Å; W233-R237 HydrophobicContact CH2-CG 3.76Å; W233-R237 HydrophobicContact CZ3-CB 3.69Å; W233-R237 HydrophobicContact CZ3-CG 3.69Å; W233-R237 VanDerWaalsContact O-CB 3.3Å; W233-R237 WeakPolarHBondContact O-CB 3.39Å; W233-R237 PolarHBondContact O-N 2.95Å; Q235-R237 VanDerWaalsContact C-N 3.3Å; Q235-R237 PolarHBondContact O-N 3.43Å; R237-M239 VanDerWaalsContact C-N 3.33Å; R237-M239 PolarHBondContact O-N 2.86Å; R237-K240 PolarHBondContact O-N 3.09Å; R237-W241 WeakPolarHBondContact O-CB 2.98Å; R237-W241 PolarHBondContact O-N 3.46Å |
| 238 | R | 97.3 | Very high | 89.4 | Confident | 71 Ų | 71 | 88.3 Ų | 88.3 | 27% | 0.268 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.3 | -40.2 | 173.6 | -74.1 | -179 | -70.9 | 157.3 | -1.7 | 112.5 | F205 N209 Y210 F234 Q235 W241 K242 | F205-R238 HydrophobicContact CE2-CG 3.69Å; F205-R238 HydrophobicContact CZ-CG 4.06Å; N209-R238 WeakPolarHBondContact O-CD 3.43Å; Y210-R238 VanDerWaalsContact CD1-NH1 3.32Å; F234-R238 WeakPolarHBondContact O-CG 3.49Å; F234-R238 PolarHBondContact O-N 3.41Å; F234-R238 VanDerWaalsContact O-N 3.07Å; F234-R238 PolarHBondContact O-NE 3.5Å; Q235-R238 PolarHBondContact O-N 3.34Å; R238-W241 PolarHBondContact O-N 3.49Å; R238-K242 WeakPolarHBondContact O-CB 3.45Å; R238-K242 PolarHBondContact O-N 3.23Å |
| 239 | M | 96.6 | Very high | 87 | Confident | 86 Ų | 86 | 87 Ų | 87 | 42% | 0.424 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 176 | -65.8 | -60.4 | -110.2 | 0 | 0 | 111.7 | Q235 N236 R237 R243 | Q235-M239 WeakPolarHBondContact O-CG 3.44Å; Q235-M239 PolarHBondContact O-N 2.98Å; Q235-M239 VanDerWaalsContact O-N 3.08Å; N236-M239 PolarHBondContact O-N 2.97Å; R237-M239 VanDerWaalsContact C-N 3.33Å; R237-M239 PolarHBondContact O-N 2.86Å; M239-R243 WeakPolarHBondContact O-CG 3.21Å; M239-R243 PolarHBondContact O-N 3.17Å; M239-R243 VanDerWaalsContact O-N 3.09Å; M239-R243 PolarHBondContact O-NH1 3.29Å |
| 240 | K | 94.9 | Very high | 84.6 | Confident | 116 Ų | 116 | 86.3 Ų | 86.3 | 50% | 0.504 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 174 | -175 | 178.2 | 176.8 | -179.6 | 0 | 111.4 | N236 R237 K242 R243 V244 | N236-K240 PolarHBondContact O-N 3.49Å; R237-K240 PolarHBondContact O-N 3.09Å; K240-K242 VanDerWaalsContact C-N 3.35Å; K240-K242 PolarHBondContact O-N 2.88Å; K240-R243 PolarHBondContact O-N 3.46Å; K240-R243 VanDerWaalsContact O-N 3.13Å; K240-V244 WeakPolarHBondContact O-CG2 3.41Å; K240-V244 PolarHBondContact O-N 3.43Å |
| 241 | W | 93.4 | Very high | 82.3 | Confident | 110 Ų | 110 | 89.3 Ų | 89.3 | 42% | 0.417 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58.1 | -45.2 | 178.4 | 178 | 74.6 | 0 | 0 | 0 | 112.2 | F205 R237 R238 R243 V244 K245 | F205-W241 HydrophobicContact CE1-CB 4.34Å; F205-W241 HydrophobicContact CE1-CG 4.38Å; F205-W241 HydrophobicContact CZ-CB 4.23Å; F205-W241 HydrophobicContact CZ-CG 4.42Å; R237-W241 WeakPolarHBondContact O-CB 2.98Å; R237-W241 PolarHBondContact O-N 3.46Å; R238-W241 PolarHBondContact O-N 3.49Å; W241-R243 VanDerWaalsContact C-N 3.34Å; W241-R243 PolarHBondContact O-N 3.36Å; W241-V244 PolarHBondContact O-N 3.33Å; W241-K245 HydrophobicContact CH2-CD 4.14Å; W241-K245 HydrophobicContact CZ2-CD 3.55Å; W241-K245 WeakPolarHBondContact O-CB 3.19Å; W241-K245 PolarHBondContact O-N 3.46Å |
| 242 | K | 93.4 | Very high | 80.1 | Confident | 129 Ų | 129 | 85.7 Ų | 85.7 | 56% | 0.561 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -61 | -41.2 | 175.2 | -173.4 | 175.1 | 65.7 | 175.1 | 0 | 112.2 | R238 K240 V244 G246 | R238-K242 WeakPolarHBondContact O-CB 3.45Å; R238-K242 PolarHBondContact O-N 3.23Å; K240-K242 VanDerWaalsContact C-N 3.35Å; K240-K242 PolarHBondContact O-N 2.88Å; K242-V244 VanDerWaalsContact C-N 3.33Å; K242-V244 PolarHBondContact O-N 3.45Å; K242-G246 WeakPolarHBondContact O-CA 3.24Å; K242-G246 PolarHBondContact O-N 2.72Å |
| 243 | R | 90.9 | Very high | 77.8 | Confident | 165 Ų | 165 | 85.5 Ų | 85.5 | 62% | 0.623 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -65.8 | -34.2 | 175.9 | -71.5 | -170 | -144.4 | 92.2 | -3.2 | 112.7 | M239 K240 W241 G247 | M239-R243 WeakPolarHBondContact O-CG 3.21Å; M239-R243 PolarHBondContact O-N 3.17Å; M239-R243 VanDerWaalsContact O-N 3.09Å; M239-R243 PolarHBondContact O-NH1 3.29Å; K240-R243 PolarHBondContact O-N 3.46Å; K240-R243 VanDerWaalsContact O-N 3.13Å; W241-R243 VanDerWaalsContact C-N 3.34Å; W241-R243 PolarHBondContact O-N 3.36Å; R243-G247 WeakPolarHBondContact O-CA 3.06Å; R243-G247 PolarHBondContact O-N 3.4Å |
| 244 | V | 85.8 | Confident | 75.6 | Confident | 86 Ų | 86 | 92.7 Ų | 92.7 | 52% | 0.521 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -76.7 | -44.1 | 178.1 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | K240 W241 K242 Q248 | K240-V244 WeakPolarHBondContact O-CG2 3.41Å; K240-V244 PolarHBondContact O-N 3.43Å; W241-V244 PolarHBondContact O-N 3.33Å; K242-V244 VanDerWaalsContact C-N 3.33Å; K242-V244 PolarHBondContact O-N 3.45Å; V244-Q248 PolarHBondContact O-N 3.38Å |
| 245 | K | 77.1 | Confident | 73.3 | Confident | 145 Ų | 145 | 98.9 Ų | 98.9 | 63% | 0.63 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -75.6 | -36.3 | -176.5 | -164.7 | 169.4 | -179 | 174.5 | 0 | 113.4 | W241 | W241-K245 HydrophobicContact CH2-CD 4.14Å; W241-K245 HydrophobicContact CZ2-CD 3.55Å; W241-K245 WeakPolarHBondContact O-CB 3.19Å; W241-K245 PolarHBondContact O-N 3.46Å |
| 246 | G | 62.2 | Low | 71 | Confident | 45 Ų | 45 | 100.7 Ų | 100.7 | 46% | 0.464 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -92.5 | -16.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | K242 | K242-G246 WeakPolarHBondContact O-CA 3.24Å; K242-G246 PolarHBondContact O-N 2.72Å |
| 247 | G | 51.8 | Low | 68.7 | Low | 19 Ų | 19 | 102.7 Ų | 102.7 | 20% | 0.196 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -100.3 | 4.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | R243 Q249 G250 A251 | R243-G247 WeakPolarHBondContact O-CA 3.06Å; R243-G247 PolarHBondContact O-N 3.4Å; G247-Q249 PolarHBondContact O-N 2.9Å; G247-G250 PolarHBondContact O-N 3.27Å; G247-A251 WeakPolarHBondContact O-CA 3.5Å; G247-A251 WeakPolarHBondContact O-CB 3.45Å; G247-A251 PolarHBondContact O-N 3.14Å |
| 248 | Q | 51.7 | Low | 66.5 | Low | 153 Ų | 153 | 104.9 Ų | 104.9 | 72% | 0.715 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.6 | -26 | 152.9 | -76.2 | -172.2 | 34.5 | 0 | 0 | 110.8 | V244 A252 | V244-Q248 PolarHBondContact O-N 3.38Å; Q248-A252 WeakPolarHBondContact O-CB 3.43Å |
| 249 | Q | 48.3 | Very low | 64.4 | Low | 165 Ų | 165 | 106 Ų | 106 | 77% | 0.771 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -80.9 | -24.3 | 172.9 | -58.4 | 176.6 | 22 | 0 | 0 | 112.8 | G247 | G247-Q249 PolarHBondContact O-N 2.9Å |
| 250 | G | 47.8 | Very low | 62.1 | Low | 42 Ų | 42 | 107.5 Ų | 107.5 | 43% | 0.433 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -103 | -30.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | G247 A253 R254 | G247-G250 PolarHBondContact O-N 3.27Å; G250-A253 PolarHBondContact O-N 3.18Å; G250-R254 PolarHBondContact O-N 3.47Å; G250-R254 VanDerWaalsContact O-N 3.17Å |
| 251 | A | 50 | Low | 60.2 | Low | 62 Ų | 62 | 107.8 Ų | 107.8 | 51% | 0.512 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -77.9 | -36.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | G247 A253 R254 E255 | G247-A251 WeakPolarHBondContact O-CA 3.5Å; G247-A251 WeakPolarHBondContact O-CB 3.45Å; G247-A251 PolarHBondContact O-N 3.14Å; A251-A253 PolarHBondContact O-N 2.79Å; A251-R254 PolarHBondContact O-N 3.45Å; A251-E255 WeakPolarHBondContact O-CB 3.1Å; A251-E255 PolarHBondContact O-N 3.36Å |
| 252 | A | 51.1 | Low | 58.3 | Low | 43 Ų | 43 | 111.6 Ų | 111.6 | 36% | 0.355 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.3 | -27.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q248 K256 | Q248-A252 WeakPolarHBondContact O-CB 3.43Å; A252-K256 WeakPolarHBondContact O-CD 3.37Å; A252-K256 WeakPolarHBondContact O-CG 3.19Å; A252-K256 PolarHBondContact O-N 3.44Å |
| 253 | A | 51.2 | Low | 56.3 | Low | 58 Ų | 58 | 113.6 Ų | 113.6 | 48% | 0.479 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -71.5 | -38.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | G250 A251 | G250-A253 PolarHBondContact O-N 3.18Å; A251-A253 PolarHBondContact O-N 2.79Å |
| 254 | R | 51.5 | Low | 54.4 | Low | 181 Ų | 181 | 109.3 Ų | 109.3 | 68% | 0.683 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -75.3 | -27.9 | 177 | -159.7 | -169.8 | 176.9 | -115.7 | -2.1 | 113.4 | G250 A251 | G250-R254 PolarHBondContact O-N 3.47Å; G250-R254 VanDerWaalsContact O-N 3.17Å; A251-R254 PolarHBondContact O-N 3.45Å |
| 255 | E | 51.1 | Low | 52.6 | Low | 136 Ų | 136 | 110.2 Ų | 110.2 | 64% | 0.636 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.1 | -36 | 174.9 | -167 | 175.6 | 163.1 | 0 | 0 | 111.6 | A251 E257 L258 V259 | A251-E255 WeakPolarHBondContact O-CB 3.1Å; A251-E255 PolarHBondContact O-N 3.36Å; E255-E257 VanDerWaalsContact C-N 3.31Å; E255-E257 PolarHBondContact O-N 3.3Å; E255-L258 PolarHBondContact O-N 3.29Å; E255-V259 WeakPolarHBondContact O-CG2 3.5Å; E255-V259 PolarHBondContact O-N 3.38Å |
| 256 | K | 49.5 | Very low | 50.9 | Low | 144 Ų | 144 | 111.3 Ų | 111.3 | 63% | 0.626 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.3 | -35.3 | 174.7 | -72.4 | 172.6 | -175.8 | -170.2 | 0 | 112.7 | A252 L258 V259 N260 | A252-K256 WeakPolarHBondContact O-CD 3.37Å; A252-K256 WeakPolarHBondContact O-CG 3.19Å; A252-K256 PolarHBondContact O-N 3.44Å; K256-L258 VanDerWaalsContact C-N 3.28Å; K256-L258 PolarHBondContact O-N 3.49Å; K256-V259 PolarHBondContact O-N 3.25Å; K256-N260 PolarHBondContact O-N 3.08Å; K256-N260 PolarHBondContact O-OD1 3.01Å |
| 257 | E | 49 | Very low | 50.1 | Low | 139 Ų | 139 | 116.1 Ų | 116.1 | 65% | 0.65 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64.2 | -28.7 | 178.1 | -163.7 | -179.6 | 165.6 | 0 | 0 | 113.5 | E255 | E255-E257 VanDerWaalsContact C-N 3.31Å; E255-E257 PolarHBondContact O-N 3.3Å |
| 258 | L | 51.8 | Low | 49.8 | Very low | 107 Ų | 107 | 121 Ų | 121 | 56% | 0.56 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -88.4 | -15.2 | -179.3 | -65.3 | 168.7 | 0 | 0 | 0 | 113.7 | E255 K256 | E255-L258 PolarHBondContact O-N 3.29Å; K256-L258 VanDerWaalsContact C-N 3.28Å; K256-L258 PolarHBondContact O-N 3.49Å |
| 259 | V | 53.5 | Low | 49.4 | Very low | 96 Ų | 96 | 119.1 Ų | 119.1 | 58% | 0.582 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -85.3 | -28.6 | 173.8 | -171.9 | 0 | 0 | 0 | 0 | 110.9 | E255 K256 V261 K262 | E255-V259 WeakPolarHBondContact O-CG2 3.5Å; E255-V259 PolarHBondContact O-N 3.38Å; K256-V259 PolarHBondContact O-N 3.25Å; V259-V261 VanDerWaalsContact C-N 3.34Å; V259-V261 PolarHBondContact O-N 3.44Å; V259-K262 PolarHBondContact O-N 3.44Å |
| 260 | N | 48.6 | Very low | 49.1 | Very low | 117 Ų | 117 | 120.3 Ų | 120.3 | 63% | 0.626 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -19.1 | 176.4 | -73.9 | 99.8 | 0 | 0 | 0 | 114.6 | K256 | K256-N260 PolarHBondContact O-N 3.08Å; K256-N260 PolarHBondContact O-OD1 3.01Å |
| 261 | V | 54.3 | Low | 48.8 | Very low | 121 Ų | 121 | 126.2 Ų | 126.2 | 73% | 0.733 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -23.7 | 176.3 | 178.1 | 0 | 0 | 0 | 0 | 112.2 | V259 | V259-V261 VanDerWaalsContact C-N 3.34Å; V259-V261 PolarHBondContact O-N 3.44Å |
| 262 | K | 53.5 | Low | 48.3 | Very low | 190 Ų | 190 | 129 Ų | 129 | 83% | 0.826 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -15 | -175.7 | -66.1 | -178.9 | -179.9 | -176.2 | 0 | 114.3 | V259 | V259-K262 PolarHBondContact O-N 3.44Š|
| 263 | K | 51.4 | Low | 47.5 | Very low | 172 Ų | 172 | 129.9 Ų | 129.9 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -111.3 | 93 | 172.6 | -164.8 | 161.4 | -176.9 | 171.4 | 0 | 108.1 | T265 | K263-T265 PolarHBondContact O-N 3.46Å; K263-T265 PolarHBondContact O-OG1 3.15Å |
| 264 | G | 51.8 | Low | 47.1 | Very low | 75 Ų | 75 | 135.4 Ų | 135.4 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | trans | -41.5 | 106 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 265 | T | 47.3 | Very low | 46.3 | Very low | 104 Ų | 104 | 130.5 Ų | 130.5 | 64% | 0.638 | 74% | 0.741 | S | S | * | * | trans | -131 | 77.1 | 165.1 | -37.4 | 0 | 0 | 0 | 0 | 105.3 | K263 L267 | K263-T265 PolarHBondContact O-N 3.46Å; K263-T265 PolarHBondContact O-OG1 3.15Å; T265-L267 HydrophobicContact CG2-CD2 4.26Å; T265-L267 PolarHBondContact O-N 2.92Å | ||
| 266 | L | 42 | Very low | 45.6 | Very low | 169 Ų | 169 | 128.6 Ų | 128.6 | 89% | 0.885 | 75% | 0.748 | S | S | * | * | trans | -61.9 | 111.7 | 158.4 | -65.5 | 177.4 | 0 | 0 | 0 | 105.3 | P268 | L266-P268 WeakPolarHBondContact O-CD 3.41Š| ||
| 267 | L | 44.2 | Very low | 45 | Very low | 146 Ų | 146 | 125.9 Ų | 125.9 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 127.1 | 168 | -60.1 | -171 | 0 | 0 | 0 | 107.6 | T265 S269 | T265-L267 HydrophobicContact CG2-CD2 4.26Å; T265-L267 PolarHBondContact O-N 2.92Å; L267-S269 PolarHBondContact O-N 3.42Å |
| 268 | P | 45.4 | Very low | 44.5 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 118.4 | 167 | -12.2 | 28 | 0 | 0 | 0 | 108 | L266 E270 | L266-P268 WeakPolarHBondContact O-CD 3.41Å; P268-E270 PolarHBondContact O-N 3.17Å |
| 269 | S | 43.5 | Very low | 43.9 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 127 | 161.6 | -77.3 | 0 | 0 | 0 | 0 | 108.7 | L267 L271 | L267-S269 PolarHBondContact O-N 3.42Å; S269-L271 PolarHBondContact O-N 3.3Å; S269-L271 VanDerWaalsContact O-N 3.09Å |
| 270 | E | 41.8 | Very low | 43.3 | Very low | 190 Ų | 190 | 128.9 Ų | 128.9 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | trans | -47.9 | 109.7 | 167 | -63.5 | -79.4 | 113.8 | 0 | 0 | 110.3 | P268 | P268-E270 PolarHBondContact O-N 3.17Š| ||
| 271 | L | 42.2 | Very low | 42.9 | Very low | 166 Ų | 166 | 131.4 Ų | 131.4 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | trans | -117.2 | 109.2 | 163.1 | -159.6 | 80.6 | 0 | 0 | 0 | 107.8 | S269 | S269-L271 PolarHBondContact O-N 3.3Å; S269-L271 VanDerWaalsContact O-N 3.09Å | ||
| 272 | S | 40.4 | Very low | 42.1 | Very low | 121 Ų | 121 | 132 Ų | 132 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -59.1 | 141.8 | 171.1 | -77.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 273 | G | 34.6 | Very low | 41.5 | Very low | 60 Ų | 60 | 126.5 Ų | 126.5 | 62% | 0.619 | 78% | 0.779 | S | S | * | * | trans | 81.8 | 121.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 274 | I | 41.4 | Very low | 40.8 | Very low | 174 Ų | 174 | 126 Ų | 126 | 89% | 0.892 | 78% | 0.784 | S | S | * | * | -169.3 | 144.4 | 55.9 | 35.2 | 172 | 0 | 0 | 0 | 107.6 | |||||
| 275 | G | 35.2 | Very low | 40.3 | Very low | 79 Ų | 79 | 126.5 Ų | 126.5 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | trans | -75.5 | 163.2 | -168.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 276 | A | 35.4 | Very low | 40.3 | Very low | 96 Ų | 96 | 129.6 Ų | 129.6 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | trans | -176.8 | 120.4 | 136.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 277 | A | 37.3 | Very low | 40.6 | Very low | 87 Ų | 87 | 125.3 Ų | 125.3 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | trans | 54.7 | 114.2 | 134 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 278 | T | 38.1 | Very low | 40.9 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | 90.7 | 118.5 | 111.8 | -66.2 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 279 | L | 40.2 | Very low | 41.3 | Very low | 131 Ų | 131 | 129.1 Ų | 129.1 | 69% | 0.686 | 79% | 0.786 | S | S | * | * | trans | 92.1 | 127.7 | 140.2 | -113 | 74.1 | 0 | 0 | 0 | 122.4 | ||||
| 280 | Q | 40 | Very low | 41.6 | Very low | 152 Ų | 152 | 130.1 Ų | 130.1 | 71% | 0.71 | 78% | 0.782 | S | S | * | * | trans | 85.9 | 104.1 | 136.3 | -88.5 | 164.2 | 15.1 | 0 | 0 | 122.1 | ||||
| 281 | Q | 40.4 | Very low | 42.4 | Very low | 169 Ų | 169 | 126.4 Ų | 126.4 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | 52.8 | 150.7 | 110.3 | -78.2 | -179.4 | 10 | 0 | 0 | 123 | |||||
| 282 | T | 37.8 | Very low | 43 | Very low | 134 Ų | 134 | 125.6 Ų | 125.6 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | 87.8 | 114.7 | 164.5 | 73 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 283 | G | 41.1 | Very low | 43.8 | Very low | 74 Ų | 74 | 127.6 Ų | 127.6 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | 91.1 | 112.8 | 78.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 284 | D | 36.6 | Very low | 45 | Very low | 161 Ų | 161 | 128.9 Ų | 128.9 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | -179.7 | 177.2 | 86.4 | -156.2 | -93.8 | 0 | 0 | 0 | 110.3 | |||||
| 285 | S | 40.4 | Very low | 45.5 | Very low | 87 Ų | 87 | 127.5 Ų | 127.5 | 61% | 0.608 | 76% | 0.764 | S | S | * | * | trans | -105.9 | 160.9 | -144.8 | -60.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 286 | L | 47.8 | Very low | 46.1 | Very low | 168 Ų | 168 | 132.1 Ų | 132.1 | 88% | 0.88 | 76% | 0.764 | S | S | * | * | trans | 32.4 | 122.1 | 134.7 | -57.4 | 171.3 | 0 | 0 | 0 | 119.5 | ||||
| 287 | A | 49.2 | Very low | 46.9 | Very low | 80 Ų | 80 | 132.8 Ų | 132.8 | 66% | 0.661 | 76% | 0.763 | S | S | * | * | -172.1 | 101.8 | 123.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | E289 | A287-E289 HydrophobicContact CB-CG 4.1Š| |||
| 288 | N | 49.1 | Very low | 47.8 | Very low | 168 Ų | 168 | 133 Ų | 133 | 90% | 0.898 | 76% | 0.759 | S | S | * | * | trans | -88 | 109.3 | 154.7 | -87.3 | -17.5 | 0 | 0 | 0 | 105.6 | ||||
| 289 | E | 54.3 | Low | 48.7 | Very low | 178 Ų | 178 | 136 Ų | 136 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | -111.9 | 92.9 | 175.3 | -58.6 | -93.5 | 104.7 | 0 | 0 | 107.1 | A287 | A287-E289 HydrophobicContact CB-CG 4.1Š| ||
| 290 | D | 49.3 | Very low | 49.5 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | trans | -58.2 | 126.4 | 157.4 | 175.6 | -113.5 | 0 | 0 | 0 | 109 | H292 | D290-H292 IonicContact OD1-CD2 3.61Å; D290-H292 PolarHBondContact OD1-CD2 3.41Å; D290-H292 IonicContact OD2-CD2 3.79Å | ||
| 291 | S | 59 | Low | 50.6 | Low | 113 Ų | 113 | 134.7 Ų | 134.7 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -138.7 | 100.2 | 169.1 | -170.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 292 | H | 56 | Low | 51.4 | Low | 149 Ų | 149 | 135 Ų | 135 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | trans | -62.8 | 127.3 | 159.6 | -80.4 | -114.5 | 0 | 0 | 0 | 109.8 | D290 | D290-H292 IonicContact OD1-CD2 3.61Å; D290-H292 PolarHBondContact OD1-CD2 3.41Å; D290-H292 IonicContact OD2-CD2 3.79Å | ||
| 293 | D | 57.2 | Low | 52.3 | Low | 163 Ų | 163 | 140.2 Ų | 140.2 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | -115.7 | 118.2 | 157.7 | -160.1 | -114.4 | 0 | 0 | 0 | 108 | ||||
| 294 | S | 58.2 | Low | 52.9 | Low | 86 Ų | 86 | 143.5 Ų | 143.5 | 60% | 0.601 | 79% | 0.79 | S | S | * | * | trans | -91.1 | 149.5 | -177.8 | -55.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 295 | D | 53.5 | Low | 53.8 | Low | 146 Ų | 146 | 142.6 Ų | 142.6 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | trans | 41.2 | 133.3 | 146.9 | -88.3 | -73.1 | 0 | 0 | 0 | 120.2 | ||||
| 296 | H | 47.3 | Very low | 54.5 | Low | 175 Ų | 175 | 145.7 Ų | 145.7 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | -175 | 129.6 | 119 | -102.6 | -142.5 | 0 | 0 | 0 | 111.5 | |||||
| 297 | S | 52.1 | Low | 54.9 | Low | 111 Ų | 111 | 144.4 Ų | 144.4 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | 67.5 | 144.2 | 144.7 | -77.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 298 | S | 55.2 | Low | 55.3 | Low | 91 Ų | 91 | 148.4 Ų | 148.4 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | cis | -172.4 | 117.3 | -14.1 | 177.9 | 0 | 0 | 0 | 0 | 102.3 | H300 | S298-H300 PolarHBondContact O-N 3.09Š| ||
| 299 | E | 57.1 | Low | 55.7 | Low | 184 Ų | 184 | 147.1 Ų | 147.1 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -15.4 | 121.4 | 142.1 | 48.7 | -145.1 | 64.2 | 0 | 0 | 115.5 | ||||
| 300 | H | 57.3 | Low | 55.8 | Low | 186 Ų | 186 | 144.9 Ų | 144.9 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | -129.2 | 113 | 153 | -166.8 | -82.8 | 0 | 0 | 0 | 108.1 | S298 | S298-H300 PolarHBondContact O-N 3.09Š| ||
| 301 | A | 63.7 | Low | 56.3 | Low | 71 Ų | 71 | 145.6 Ų | 145.6 | 59% | 0.587 | 80% | 0.796 | S | S | * | * | trans | -79.8 | 158.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 302 | H | 56.4 | Low | 56 | Low | 176 Ų | 176 | 148.3 Ų | 148.3 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | trans | 32 | 116.7 | 138.8 | -84.6 | -105.3 | 0 | 0 | 0 | 118.8 | ||||
| 303 | L | 58.4 | Low | 56 | Low | 242 Ų | 242 | 148.3 Ų | 148.3 | 100% | 1.267 | 81% | 0.806 | S | S | * | * | -164.8 | 0 | 99.5 | -92.5 | 165.5 | 0 | 0 | 0 | 109.8 |
Retrieved 303 of 303 residues in 80.7 ms
(Link to these results)