| 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 | 55 | Low | 52.4 | Low | 221 Ų | 221 | 130.8 Ų | 130.8 | 100% | 1.089 | 69% | 0.69 | S | S | * | * | 0 | -36.8 | 0 | -86.2 | 178.7 | 168.1 | 0 | 0 | 114.9 | V3 N4 | M1-V3 PolarHBondContact O-N 3.21Å; M1-N4 PolarHBondContact O-N 2.66Å | |||
| 2 | I | 52.2 | Low | 52.3 | Low | 143 Ų | 143 | 124.8 Ų | 124.8 | 73% | 0.733 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -35 | -172 | -65.4 | 171.4 | 0 | 0 | 0 | 114.5 | N4 L5 | I2-N4 VanDerWaalsContact C-N 3.26Å; I2-N4 PolarHBondContact O-N 3.19Å; I2-L5 PolarHBondContact O-N 3.43Å |
| 3 | V | 54.3 | Low | 51.9 | Low | 107 Ų | 107 | 123 Ų | 123 | 65% | 0.648 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -61.3 | -28.9 | -176.8 | -176.3 | 0 | 0 | 0 | 0 | 113.6 | M1 L5 | M1-V3 PolarHBondContact O-N 3.21Å; V3-L5 VanDerWaalsContact C-N 3.31Å; V3-L5 PolarHBondContact O-N 2.83Å |
| 4 | N | 51.7 | Low | 51.5 | Low | 120 Ų | 120 | 128.7 Ų | 128.7 | 64% | 0.642 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -77.7 | -10.7 | -177.1 | -75 | 1.1 | 0 | 0 | 0 | 114.3 | M1 I2 | M1-N4 PolarHBondContact O-N 2.66Å; I2-N4 VanDerWaalsContact C-N 3.26Å; I2-N4 PolarHBondContact O-N 3.19Å |
| 5 | L | 54.1 | Low | 50.9 | Low | 129 Ų | 129 | 130.7 Ų | 130.7 | 68% | 0.675 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -82.1 | -42 | 176.6 | -82.9 | 161.4 | 0 | 0 | 0 | 112 | I2 V3 L7 L8 E9 | I2-L5 PolarHBondContact O-N 3.43Å; V3-L5 VanDerWaalsContact C-N 3.31Å; V3-L5 PolarHBondContact O-N 2.83Å; L5-L7 VanDerWaalsContact C-N 3.31Å; L5-L7 PolarHBondContact O-N 2.9Å; L5-L8 PolarHBondContact O-N 3.35Å; L5-L8 VanDerWaalsContact O-N 3.14Å; L5-E9 PolarHBondContact O-N 2.91Å |
| 6 | L | 51.1 | Low | 50.6 | Low | 117 Ų | 117 | 132.7 Ų | 132.7 | 61% | 0.613 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -64.9 | -33.6 | -178.3 | -70 | 164.8 | 0 | 0 | 0 | 112.8 | L8 E9 E10 | L6-L8 PolarHBondContact O-N 2.99Å; L6-E9 PolarHBondContact O-N 3.26Å; L6-E10 PolarHBondContact O-N 3.28Å |
| 7 | L | 53 | Low | 50.3 | Low | 125 Ų | 125 | 130.9 Ų | 130.9 | 65% | 0.654 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -69.6 | -16.9 | 176.5 | -87.3 | 164.1 | 0 | 0 | 0 | 114.4 | L5 | L5-L7 VanDerWaalsContact C-N 3.31Å; L5-L7 PolarHBondContact O-N 2.9Å |
| 8 | L | 52.9 | Low | 49.8 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 69% | 0.691 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -90.2 | -26 | 175.7 | -98.9 | 150.5 | 0 | 0 | 0 | 112.5 | L5 L6 | L5-L8 PolarHBondContact O-N 3.35Å; L5-L8 VanDerWaalsContact O-N 3.14Å; L6-L8 PolarHBondContact O-N 2.99Å |
| 9 | E | 51.9 | Low | 49.5 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 66% | 0.664 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -80.9 | -42.6 | -179.1 | -161.4 | 163.4 | -157.1 | 0 | 0 | 111.9 | L5 L6 A11 A12 | L5-E9 PolarHBondContact O-N 2.91Å; L6-E9 PolarHBondContact O-N 3.26Å; E9-A11 PolarHBondContact O-N 2.85Å; E9-A12 WeakPolarHBondContact O-CB 3.4Å; E9-A12 PolarHBondContact O-N 3.17Å |
| 10 | E | 48.8 | Very low | 49 | Very low | 138 Ų | 138 | 131.5 Ų | 131.5 | 65% | 0.645 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -64.1 | -24.1 | 176.8 | -163.2 | -178.5 | 161.6 | 0 | 0 | 112.9 | L6 A12 | L6-E10 PolarHBondContact O-N 3.28Å; E10-A12 VanDerWaalsContact C-N 3.32Å; E10-A12 PolarHBondContact O-N 2.84Å |
| 11 | A | 50.9 | Low | 48.7 | Very low | 65 Ų | 65 | 131 Ų | 131 | 54% | 0.537 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -70.9 | -24.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E9 | E9-A11 PolarHBondContact O-N 2.85Å |
| 12 | A | 51.1 | Low | 48.1 | Very low | 58 Ų | 58 | 129.2 Ų | 129.2 | 48% | 0.479 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -80.9 | -33.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114 | E9 E10 | E9-A12 WeakPolarHBondContact O-CB 3.4Å; E9-A12 PolarHBondContact O-N 3.17Å; E10-A12 VanDerWaalsContact C-N 3.32Å; E10-A12 PolarHBondContact O-N 2.84Å |
| 13 | D | 47.6 | Very low | 47.1 | Very low | 102 Ų | 102 | 125.7 Ų | 125.7 | 55% | 0.545 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -86.6 | -17.2 | -173.1 | -94 | -15.1 | 0 | 0 | 0 | 114.7 | L15 K16 | D13-L15 PolarHBondContact O-N 2.94Å; D13-L15 VanDerWaalsContact O-N 3.12Å; D13-K16 PolarHBondContact O-N 3.45Å; D13-K16 WeakPolarHBondContact OD1-CE 3.28Å; D13-K16 IonicContact OD1-NZ 2.65Å; D13-K16 PolarHBondContact OD1-NZ 3.18Å |
| 14 | R | 45.9 | Very low | 46.1 | Very low | 203 Ų | 203 | 127.2 Ų | 127.2 | 77% | 0.766 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -0.7 | 178.4 | -76.8 | -177.4 | 168.8 | -87 | -0.5 | 115.1 | ||
| 15 | L | 43.5 | Very low | 45.3 | Very low | 159 Ų | 159 | 127.2 Ų | 127.2 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 0.8 | 176.4 | -91 | 162.3 | 0 | 0 | 0 | 114.8 | D13 | D13-L15 PolarHBondContact O-N 2.94Å; D13-L15 VanDerWaalsContact O-N 3.12Å |
| 16 | K | 45.9 | Very low | 44.2 | Very low | 162 Ų | 162 | 124.4 Ų | 124.4 | 70% | 0.704 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -100.2 | 4.2 | -169.5 | -69.4 | 175.2 | -174.4 | 161.8 | 0 | 116.8 | D13 | D13-K16 PolarHBondContact O-N 3.45Å; D13-K16 WeakPolarHBondContact OD1-CE 3.28Å; D13-K16 IonicContact OD1-NZ 2.65Å; D13-K16 PolarHBondContact OD1-NZ 3.18Å |
| 17 | S | 45 | Very low | 43.3 | Very low | 102 Ų | 102 | 124.5 Ų | 124.5 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | trans | -133.4 | 73 | -173.6 | 59.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 18 | L | 41.3 | Very low | 42.3 | Very low | 166 Ų | 166 | 128.3 Ų | 128.3 | 87% | 0.869 | 75% | 0.751 | S | S | * | * | trans | -130.8 | 143.8 | 153.3 | -76.5 | 176.5 | 0 | 0 | 0 | 110 | ||||
| 19 | P | 44.6 | Very low | 41.2 | Very low | 124 Ų | 124 | 125.6 Ų | 125.6 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 138.7 | -168.4 | 32.1 | -35.4 | 0 | 0 | 0 | 113.8 | ||
| 20 | S | 39.7 | Very low | 40.1 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -76 | 144.5 | 172.4 | -54.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 21 | P | 42.8 | Very low | 39.4 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 162.8 | 167.2 | 32.8 | -34.6 | 0 | 0 | 0 | 112.3 | ||
| 22 | L | 40.8 | Very low | 38.7 | Very low | 182 Ų | 182 | 132.7 Ų | 132.7 | 95% | 0.953 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 152 | 173.4 | -64.2 | 160.1 | 0 | 0 | 0 | 111 | ||
| 23 | G | 32.5 | Very low | 38.5 | Very low | 69 Ų | 69 | 134.8 Ų | 134.8 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -148.1 | -175.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 24 | C | 32.4 | Very low | 37.9 | Very low | 139 Ų | 139 | 138.2 Ų | 138.2 | 94% | 0.939 | 81% | 0.81 | S | S | * | * | trans | 61.3 | 149.9 | 171.4 | -63.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 25 | S | 35 | Very low | 37.3 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | cis | -150.2 | 175.4 | 25.5 | 58.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 26 | G | 30.4 | Very low | 36.7 | Very low | 69 Ų | 69 | 137.1 Ų | 137.1 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | trans | 97 | 124.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 27 | C | 32.7 | Very low | 35.9 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | cis | 159.8 | 133.1 | -21.5 | -95 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 28 | E | 32.2 | Very low | 35.3 | Very low | 205 Ų | 205 | 143 Ų | 143 | 96% | 0.958 | 83% | 0.826 | S | S | * | * | trans | 65.3 | 155.4 | 169.2 | -52.5 | -170.4 | 152 | 0 | 0 | 118.5 | ||||
| 29 | G | 30.2 | Very low | 34.7 | Very low | 75 Ų | 75 | 138.5 Ų | 138.5 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | 136.3 | 55 | 164.5 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 30 | F | 29.1 | Very low | 34.1 | Very low | 197 Ų | 197 | 138.4 Ų | 138.4 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | trans | 46.6 | 121.3 | 139.8 | -138.3 | -97.8 | 0 | 0 | 0 | 123.8 | ||||
| 31 | V | 33.1 | Very low | 33.7 | Very low | 116 Ų | 116 | 141 Ų | 141 | 70% | 0.703 | 82% | 0.821 | S | S | * | * | trans | 3.9 | 138.1 | 146.2 | -156.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 32 | M | 37.1 | Very low | 33.2 | Very low | 181 Ų | 181 | 141.4 Ų | 141.4 | 89% | 0.892 | 82% | 0.815 | S | S | * | * | trans | -56.8 | 162.9 | 166.6 | -68.9 | -175.4 | 150.2 | 0 | 0 | 114.8 | ||||
| 33 | P | 47.2 | Very low | 32.7 | Very low | 101 Ų | 101 | 140.3 Ų | 140.3 | 66% | 0.656 | 81% | 0.81 | S | S | * | * | trans | -136.7 | 144.7 | 133.9 | 39.4 | -29.1 | 0 | 0 | 0 | 115.9 | ||||
| 34 | L | 35.4 | Very low | 32.6 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | trans | -85.9 | 120.7 | 165.3 | 178 | 98.2 | 0 | 0 | 0 | 108.7 | ||||
| 35 | W | 31.3 | Very low | 32.7 | Very low | 225 Ų | 225 | 141.5 Ų | 141.5 | 85% | 0.852 | 81% | 0.805 | S | S | * | * | trans | -113.4 | 141 | -176 | -90.9 | 34.9 | 0 | 0 | 0 | 114.3 | ||||
| 36 | S | 31.8 | Very low | 32.4 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -154.1 | 122.4 | 169.8 | -81.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 37 | R | 29.8 | Very low | 32.4 | Very low | 231 Ų | 231 | 142.8 Ų | 142.8 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | 77.1 | 140.9 | 151 | -148.8 | -177.5 | -166.3 | -147.4 | 2.7 | 120 | ||||
| 38 | L | 32.4 | Very low | 32.3 | Very low | 157 Ų | 157 | 141.7 Ų | 141.7 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | 93.8 | 142 | 150.6 | -133 | 77.4 | 0 | 0 | 0 | 119.5 | ||||
| 39 | G | 27.4 | Very low | 32.3 | Very low | 71 Ų | 71 | 139.3 Ų | 139.3 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | 87.2 | 104.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 40 | S | 32.3 | Very low | 33.5 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | cis | 81 | 108.9 | 30.9 | -163.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 41 | Q | 31 | Very low | 33.5 | Very low | 169 Ų | 169 | 137 Ų | 137 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -162.4 | 145 | 150.9 | -126.8 | -178.7 | 89 | 0 | 0 | 112.7 | ||||
| 42 | I | 32.9 | Very low | 33.4 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 68% | 0.677 | 80% | 0.796 | S | S | * | * | trans | 28.5 | 130.9 | 158.9 | 50.3 | 173.1 | 0 | 0 | 0 | 120 | ||||
| 43 | D | 30.5 | Very low | 33.2 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | -143 | 169.8 | 67.4 | -134.4 | -27.6 | 0 | 0 | 0 | 116.5 | |||||
| 44 | T | 30.3 | Very low | 32.6 | Very low | 111 Ų | 111 | 137.6 Ų | 137.6 | 68% | 0.681 | 79% | 0.789 | S | S | * | * | trans | -123.8 | 136.2 | -167.7 | -50 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 45 | S | 34.7 | Very low | 32.5 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -142.1 | 149.8 | 160.7 | 64.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 46 | C | 29.4 | Very low | 32.7 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -115.3 | 151 | -165.8 | -57.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 47 | A | 30.3 | Very low | 33.5 | Very low | 100 Ų | 100 | 135.8 Ų | 135.8 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | 155.2 | 163.8 | 116.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 48 | A | 31.1 | Very low | 33.7 | Very low | 96 Ų | 96 | 127.6 Ų | 127.6 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | trans | 80.7 | 147 | 164.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 49 | N | 31.8 | Very low | 33.9 | Very low | 156 Ų | 156 | 128.3 Ų | 128.3 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | trans | -124.5 | -165.8 | 178.9 | -65.5 | -72 | 0 | 0 | 0 | 108 | ||||
| 50 | P | 55 | Low | 34.4 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | -125.5 | -139.3 | -75.3 | 41 | -24.5 | 0 | 0 | 0 | 111.1 | |||||
| 51 | C | 28.8 | Very low | 34.4 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 75% | 0.75 | 77% | 0.771 | S | S | * | * | trans | 81.9 | 144.8 | 179.4 | -53.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 52 | D | 31.6 | Very low | 34.5 | Very low | 141 Ų | 141 | 133 Ų | 133 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | cis | -148.8 | -179 | 3.5 | -139.6 | -24 | 0 | 0 | 0 | 114.8 | ||||
| 53 | E | 32.9 | Very low | 34.5 | Very low | 170 Ų | 170 | 132.9 Ų | 132.9 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | -27.3 | 157.6 | 164 | -85 | -155 | 139.8 | 0 | 0 | 119.5 | ||||
| 54 | T | 34.8 | Very low | 34.6 | Very low | 99 Ų | 99 | 134.5 Ų | 134.5 | 61% | 0.607 | 77% | 0.768 | S | S | * | * | cis | -134.8 | -166.7 | 0.3 | 56.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 55 | Q | 33.4 | Very low | 34.7 | Very low | 168 Ų | 168 | 133.6 Ų | 133.6 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | cis | -155.6 | -164.1 | 1.9 | -141.5 | 166.2 | 118.1 | 0 | 0 | 111.9 | ||||
| 56 | K | 34.4 | Very low | 34.5 | Very low | 187 Ų | 187 | 135.3 Ų | 135.3 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | -149.2 | -175 | -179.6 | -77.5 | 171.9 | -179.2 | 151.6 | 0 | 107.8 | ||||
| 57 | P | 49.3 | Very low | 34.5 | Very low | 121 Ų | 121 | 137 Ų | 137 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | cis | -126.3 | -169.7 | -0.9 | 39.4 | -19.8 | 0 | 0 | 0 | 113.2 | ||||
| 58 | G | 32.7 | Very low | 34.6 | Very low | 59 Ų | 59 | 141.1 Ų | 141.1 | 61% | 0.608 | 76% | 0.764 | S | S | * | * | cis | -164.2 | 159.4 | 3.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 59 | K | 38.3 | Very low | 34.7 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | 67.1 | 129.3 | 80.1 | -68.3 | 177.1 | 178.4 | 176 | 0 | 113 | |||||
| 60 | R | 38 | Very low | 34.7 | Very low | 219 Ų | 219 | 147.7 Ų | 147.7 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | cis | -152.5 | 162.7 | 2 | -85.3 | 142.5 | 170.4 | 172.8 | -8.6 | 107.8 | ||||
| 61 | M | 31.8 | Very low | 34.3 | Very low | 180 Ų | 180 | 147.3 Ų | 147.3 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | cis | 107.6 | 108.4 | 21.6 | -138.8 | -59.1 | -124 | 0 | 0 | 114.2 | ||||
| 62 | G | 33.2 | Very low | 34.4 | Very low | 60 Ų | 60 | 153.6 Ų | 153.6 | 62% | 0.619 | 78% | 0.778 | S | S | * | * | trans | 88.7 | 160.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 63 | T | 33.1 | Very low | 34.3 | Very low | 129 Ų | 129 | 157.6 Ų | 157.6 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | cis | -172.4 | 143.6 | -16 | 15.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 64 | F | 31.8 | Very low | 34.3 | Very low | 193 Ų | 193 | 156.5 Ų | 156.5 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | 65.3 | 120.5 | 146.4 | -91.8 | -113.1 | 0 | 0 | 0 | 125.8 | ||||
| 65 | C | 31.8 | Very low | 34.1 | Very low | 91 Ų | 91 | 157.9 Ų | 157.9 | 62% | 0.615 | 79% | 0.794 | S | S | * | * | trans | 72 | 125.9 | 131.3 | -78.8 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 66 | L | 31.9 | Very low | 33.9 | Very low | 158 Ų | 158 | 153.1 Ų | 153.1 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | 54.5 | 132 | 133.3 | -58 | 171.6 | 0 | 0 | 0 | 119.6 | ||||
| 67 | D | 29.4 | Very low | 33.7 | Very low | 154 Ų | 154 | 151.6 Ų | 151.6 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | -152.1 | -151.3 | 60.4 | -147.4 | -35.1 | 0 | 0 | 0 | 114.6 | |||||
| 68 | K | 32.3 | Very low | 32.8 | Very low | 186 Ų | 186 | 157.5 Ų | 157.5 | 81% | 0.809 | 80% | 0.797 | S | S | * | * | trans | -129.3 | 126.8 | -145.2 | 173.6 | -170.8 | -179.5 | -177.8 | 0 | 115.7 | ||||
| 69 | M | 32.3 | Very low | 33 | Very low | 193 Ų | 193 | 160.3 Ų | 160.3 | 95% | 0.951 | 80% | 0.802 | S | S | * | * | trans | -156.4 | 152.4 | 157.2 | -112.5 | 177.5 | -172.7 | 0 | 0 | 114.1 | ||||
| 70 | K | 32.9 | Very low | 32.6 | Very low | 198 Ų | 198 | 161 Ų | 161 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | trans | -168.2 | 170.6 | -179.4 | -121.2 | 177.9 | 178.6 | 172.8 | 0 | 107.3 | ||||
| 71 | P | 45 | Very low | 32.2 | Very low | 104 Ų | 104 | 154.9 Ų | 154.9 | 68% | 0.675 | 81% | 0.805 | S | S | * | * | cis | -136.7 | 168.5 | -5.3 | 40.6 | -24.5 | 0 | 0 | 0 | 115.8 | ||||
| 72 | R | 30.8 | Very low | 32.4 | Very low | 244 Ų | 244 | 151.4 Ų | 151.4 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -133 | 162.3 | 132.1 | -78.3 | -156.2 | 169.5 | -136.1 | -4.2 | 110.1 | ||||
| 73 | R | 30.6 | Very low | 32.5 | Very low | 225 Ų | 225 | 154.2 Ų | 154.2 | 85% | 0.849 | 81% | 0.809 | S | S | * | * | trans | -48.9 | 136 | -165.2 | -51.9 | -66.6 | -176.3 | 177.6 | 0.2 | 112.4 | ||||
| 74 | L | 31.9 | Very low | 32.5 | Very low | 147 Ų | 147 | 154.7 Ų | 154.7 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | 58.6 | 133.1 | 67.3 | -87.2 | 76.5 | 0 | 0 | 0 | 112.5 | |||||
| 75 | C | 31.2 | Very low | 32.7 | Very low | 128 Ų | 128 | 151.9 Ų | 151.9 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | cis | -160.1 | 149.5 | -0.5 | -161.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 76 | G | 29.8 | Very low | 32.9 | Very low | 67 Ų | 67 | 153.6 Ų | 153.6 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | cis | -178.8 | 156.7 | -6.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 77 | D | 29 | Very low | 33.3 | Very low | 156 Ų | 156 | 153.3 Ų | 153.3 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | -66.8 | 145.5 | -178.4 | -78.5 | -66.2 | 0 | 0 | 0 | 114.3 | ||||
| 78 | R | 30 | Very low | 33.7 | Very low | 245 Ų | 245 | 149.4 Ų | 149.4 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | -167.8 | 140.7 | 106.6 | -108.9 | 175.4 | 157.7 | -154 | -13.7 | 115.6 | |||||
| 79 | T | 36.9 | Very low | 33.9 | Very low | 117 Ų | 117 | 146 Ų | 146 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | trans | -80.2 | 145.1 | 167 | 49.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 80 | E | 30.3 | Very low | 34.1 | Very low | 188 Ų | 188 | 145.8 Ų | 145.8 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | -177.5 | 161 | 117.6 | -102.8 | 171.4 | -160.2 | 0 | 0 | 114 | |||||
| 81 | A | 29.8 | Very low | 34.1 | Very low | 90 Ų | 90 | 143.7 Ų | 143.7 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | trans | 18.2 | 117.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 82 | A | 36.1 | Very low | 33.6 | Very low | 107 Ų | 107 | 146.5 Ų | 146.5 | 88% | 0.884 | 78% | 0.78 | S | S | * | * | trans | -79.6 | 123.3 | 166 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 83 | V | 34.7 | Very low | 33.6 | Very low | 118 Ų | 118 | 144.6 Ų | 144.6 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | trans | -128.9 | 108.8 | 166.2 | 179.4 | 0 | 0 | 0 | 0 | 108.6 | N85 | V83-N85 PolarHBondContact O-N 2.88Š| ||
| 84 | N | 34.9 | Very low | 33.5 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | -91 | 90.1 | -164.8 | -164.9 | -1.4 | 0 | 0 | 0 | 112.4 | N86 | N84-N86 VanDerWaalsContact CG-ND2 3.33Å; N84-N86 PolarHBondContact O-N 2.89Å; N84-N86 PolarHBondContact OD1-ND2 2.95Å | ||
| 85 | N | 34.2 | Very low | 33.7 | Very low | 134 Ų | 134 | 139.5 Ų | 139.5 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | trans | -74.5 | 86.1 | -177.5 | -77.9 | -72.3 | 0 | 0 | 0 | 112.9 | V83 | V83-N85 PolarHBondContact O-N 2.88Š| ||
| 86 | N | 37.9 | Very low | 34 | Very low | 127 Ų | 127 | 139.8 Ų | 139.8 | 68% | 0.679 | 76% | 0.758 | S | S | * | * | trans | -96.1 | 94.4 | 169.1 | -74.3 | -83.1 | 0 | 0 | 0 | 110.9 | N84 | N84-N86 VanDerWaalsContact CG-ND2 3.33Å; N84-N86 PolarHBondContact O-N 2.89Å; N84-N86 PolarHBondContact OD1-ND2 2.95Å | ||
| 87 | I | 39.4 | Very low | 34.5 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | -118.1 | 87.4 | 168.4 | -57.8 | 179.2 | 0 | 0 | 0 | 107.9 | ||||
| 88 | S | 38.5 | Very low | 35 | Very low | 73 Ų | 73 | 141.5 Ų | 141.5 | 51% | 0.51 | 76% | 0.759 | S | S | . | * | trans | -85.6 | 122.9 | 175.4 | 48.6 | 0 | 0 | 0 | 0 | 111 | F90 | S88-F90 WeakPolarHBondContact O-CD2 3.39Å; S88-F90 PolarHBondContact O-N 3.2Å | ||
| 89 | P | 36.4 | Very low | 35.3 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | trans | -78 | 106.7 | 174.7 | 30 | -32.4 | 0 | 0 | 0 | 110.4 | M91 | P89-M91 PolarHBondContact O-N 2.97Š| ||
| 90 | F | 34.8 | Very low | 35.1 | Very low | 188 Ų | 188 | 138.3 Ų | 138.3 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | trans | -70.8 | 88 | 176.4 | -68.6 | -83.4 | 0 | 0 | 0 | 111.9 | S88 I92 | S88-F90 WeakPolarHBondContact O-CD2 3.39Å; S88-F90 PolarHBondContact O-N 3.2Å; F90-I92 PolarHBondContact O-N 2.94Å | ||
| 91 | M | 34.6 | Very low | 35.3 | Very low | 154 Ų | 154 | 136 Ų | 136 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | trans | -69.6 | 114.8 | 166.1 | -83.6 | -171.3 | -79.2 | 0 | 0 | 110.9 | P89 R93 | P89-M91 PolarHBondContact O-N 2.97Å; M91-R93 PolarHBondContact O-N 3.05Å | ||
| 92 | I | 34.3 | Very low | 35.7 | Very low | 164 Ų | 164 | 140.3 Ų | 140.3 | 84% | 0.841 | 74% | 0.741 | S | S | * | * | trans | -75.7 | 91.1 | 166.2 | -59.7 | 173.6 | 0 | 0 | 0 | 108.5 | F90 C94 | F90-I92 PolarHBondContact O-N 2.94Å; I92-C94 PolarHBondContact O-N 3.36Å; I92-C94 VanDerWaalsContact O-N 3.14Å | ||
| 93 | R | 29.3 | Very low | 35.6 | Very low | 203 Ų | 203 | 142.4 Ų | 142.4 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | trans | -70.7 | 99.5 | 166.9 | -79.7 | -170 | 173.5 | -163.8 | 0.2 | 109.8 | M91 Q95 | M91-R93 PolarHBondContact O-N 3.05Å; R93-Q95 PolarHBondContact O-N 2.76Å; R93-Q95 VanDerWaalsContact O-N 3.11Å | ||
| 94 | C | 29.6 | Very low | 35.6 | Very low | 110 Ų | 110 | 141 Ų | 141 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | trans | -77.1 | 92.4 | 171.8 | -169.9 | 0 | 0 | 0 | 0 | 110.7 | I92 I96 | I92-C94 PolarHBondContact O-N 3.36Å; I92-C94 VanDerWaalsContact O-N 3.14Å; C94-I96 VanDerWaalsContact C-N 3.35Å; C94-I96 PolarHBondContact O-N 2.88Å | ||
| 95 | Q | 35.2 | Very low | 35.9 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 73% | 0.729 | 73% | 0.733 | S | S | * | * | trans | -91.7 | 47.4 | -175.1 | -162.4 | 65.9 | 58.4 | 0 | 0 | 113.1 | R93 | R93-Q95 PolarHBondContact O-N 2.76Å; R93-Q95 VanDerWaalsContact O-N 3.11Å | ||
| 96 | I | 38.6 | Very low | 36.1 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 69% | 0.687 | 74% | 0.737 | S | S | * | * | trans | -126.3 | 92.3 | 172 | -58.6 | 87.2 | 0 | 0 | 0 | 111 | C94 | C94-I96 VanDerWaalsContact C-N 3.35Å; C94-I96 PolarHBondContact O-N 2.88Å | ||
| 97 | G | 39.1 | Very low | 36.1 | Very low | 73 Ų | 73 | 139.4 Ų | 139.4 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | trans | -100.3 | 90.3 | 151.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 98 | K | 40 | Very low | 35.9 | Very low | 186 Ų | 186 | 142.3 Ų | 142.3 | 81% | 0.809 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -168.9 | 159.8 | 169.4 | -102.7 | 142.5 | -172.5 | 178 | 0 | 110 | ||
| 99 | E | 36.9 | Very low | 35.9 | Very low | 138 Ų | 138 | 142.9 Ų | 142.9 | 65% | 0.645 | 76% | 0.762 | S | S | * | * | trans | -55.3 | 133.2 | -166.3 | -57.3 | 161 | 92.9 | 0 | 0 | 115.2 | K101 | E99-K101 VanDerWaalsContact C-N 3.26Å; E99-K101 HydrophobicContact CB-CG 4.21Å; E99-K101 PolarHBondContact O-N 3.27Å; E99-K101 WeakPolarHBondContact OE1-CE 3.38Å; E99-K101 IonicContact OE1-NZ 2.69Å; E99-K101 PolarHBondContact OE1-NZ 2.73Å; E99-K101 WeakPolarHBondContact OE2-CE 3.39Å; E99-K101 IonicContact OE2-NZ 2.91Å; E99-K101 PolarHBondContact OE2-NZ 2.88Å | ||
| 100 | I | 32.5 | Very low | 35.9 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | trans | -78.9 | 81.9 | 157.3 | -57.4 | 179.6 | 0 | 0 | 0 | 108.3 | H102 | I100-H102 PolarHBondContact O-N 2.87Š| ||
| 101 | K | 35 | Very low | 36.3 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 61% | 0.613 | 77% | 0.765 | S | S | * | * | trans | -71.5 | 111.5 | 165.8 | -87 | 167.1 | 167.5 | 142.7 | 0 | 109 | E99 I103 | E99-K101 VanDerWaalsContact C-N 3.26Å; E99-K101 HydrophobicContact CB-CG 4.21Å; E99-K101 PolarHBondContact O-N 3.27Å; E99-K101 WeakPolarHBondContact OE1-CE 3.38Å; E99-K101 IonicContact OE1-NZ 2.69Å; E99-K101 PolarHBondContact OE1-NZ 2.73Å; E99-K101 WeakPolarHBondContact OE2-CE 3.39Å; E99-K101 IonicContact OE2-NZ 2.91Å; E99-K101 PolarHBondContact OE2-NZ 2.88Å; K101-I103 PolarHBondContact O-N 3.07Å | ||
| 102 | H | 37.3 | Very low | 36.5 | Very low | 180 Ų | 180 | 139.8 Ų | 139.8 | 83% | 0.833 | 77% | 0.766 | S | S | * | * | trans | -66.7 | 95.5 | 174.2 | -85.1 | -79.3 | 0 | 0 | 0 | 110.9 | I100 C104 | I100-H102 PolarHBondContact O-N 2.87Å; H102-C104 PolarHBondContact O-N 3.14Å; H102-C104 VanDerWaalsContact O-N 3.08Å | ||
| 103 | I | 35 | Very low | 37.1 | Very low | 150 Ų | 150 | 137.3 Ų | 137.3 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | -75.1 | 95.9 | 168.5 | -60 | 178.7 | 0 | 0 | 0 | 108.4 | K101 S105 | K101-I103 PolarHBondContact O-N 3.07Å; I103-S105 PolarHBondContact O-N 3.13Å | ||
| 104 | C | 34.9 | Very low | 37.8 | Very low | 88 Ų | 88 | 134.1 Ų | 134.1 | 60% | 0.595 | 76% | 0.757 | S | S | * | * | trans | -79.4 | 93.1 | 164.9 | -172.8 | 0 | 0 | 0 | 0 | 108.8 | H102 N106 C107 | H102-C104 PolarHBondContact O-N 3.14Å; H102-C104 VanDerWaalsContact O-N 3.08Å; C104-N106 PolarHBondContact O-N 3.11Å; C104-C107 VanDerWaalsContact SG-SG 3.62Å | ||
| 105 | S | 39.6 | Very low | 38.4 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 25.3 | -176.7 | 45.9 | 0 | 0 | 0 | 0 | 114.9 | I103 | I103-S105 PolarHBondContact O-N 3.13Š|
| 106 | N | 39.7 | Very low | 39.3 | Very low | 151 Ų | 151 | 131.2 Ų | 131.2 | 81% | 0.807 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.7 | 32.3 | 176.3 | -149.2 | 94.1 | 0 | 0 | 0 | 113.6 | C104 | C104-N106 PolarHBondContact O-N 3.11Š|
| 107 | C | 38.4 | Very low | 39.5 | Very low | 102 Ų | 102 | 130.6 Ų | 130.6 | 69% | 0.689 | 74% | 0.739 | S | S | * | * | trans | -122 | 87.2 | 173 | -66.2 | 0 | 0 | 0 | 0 | 111 | C104 | C104-C107 VanDerWaalsContact SG-SG 3.62Š| ||
| 108 | K | 35 | Very low | 39.9 | Very low | 213 Ų | 213 | 132.1 Ų | 132.1 | 93% | 0.926 | 73% | 0.734 | S | S | * | * | trans | -138.5 | 131.4 | 163.3 | -80 | -166.6 | 173.3 | -171.8 | 0 | 109.4 | ||||
| 109 | G | 38.7 | Very low | 40.3 | Very low | 85 Ų | 85 | 130.8 Ų | 130.8 | 88% | 0.876 | 73% | 0.73 | S | S | * | * | trans | 78.1 | 74.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 110 | A | 35.5 | Very low | 40.7 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | trans | -155.5 | 128.7 | 152.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 111 | E | 42.3 | Very low | 41.1 | Very low | 171 Ų | 171 | 129.7 Ų | 129.7 | 80% | 0.799 | 72% | 0.719 | S | S | * | * | trans | -69.7 | 157.4 | 171.8 | -80.1 | -64.5 | 112.3 | 0 | 0 | 111.3 | V113 | E111-V113 PolarHBondContact O-N 3.08Å; E111-V113 VanDerWaalsContact O-N 3.11Å | ||
| 112 | P | 39.6 | Very low | 41.7 | Very low | 121 Ų | 121 | 126.9 Ų | 126.9 | 79% | 0.786 | 72% | 0.721 | S | S | * | * | trans | -74.7 | 102.5 | -175.3 | 30 | -33.8 | 0 | 0 | 0 | 112.2 | ||||
| 113 | V | 47.1 | Very low | 41.9 | Very low | 111 Ų | 111 | 123.1 Ų | 123.1 | 67% | 0.673 | 72% | 0.715 | S | S | * | * | trans | -87.3 | 139.8 | 165.2 | 179.7 | 0 | 0 | 0 | 0 | 109.6 | E111 | E111-V113 PolarHBondContact O-N 3.08Å; E111-V113 VanDerWaalsContact O-N 3.11Å | ||
| 114 | D | 43.3 | Very low | 42 | Very low | 137 Ų | 137 | 123.8 Ų | 123.8 | 73% | 0.733 | 72% | 0.717 | S | S | * | * | trans | -71.6 | 155.2 | -171.5 | -151.1 | -18.3 | 0 | 0 | 0 | 113.3 | E116 | D114-E116 VanDerWaalsContact C-N 3.3Å; D114-E116 PolarHBondContact O-N 3.27Å | ||
| 115 | A | 43.5 | Very low | 42.3 | Very low | 76 Ų | 76 | 130.4 Ų | 130.4 | 63% | 0.628 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -70.4 | -18.8 | -166.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E117 | A115-E117 PolarHBondContact O-N 2.8Å |
| 116 | E | 52.4 | Low | 41.8 | Very low | 128 Ų | 128 | 130 Ų | 130 | 60% | 0.598 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -74.4 | -22.1 | -173.3 | -144.9 | -167.2 | 139.2 | 0 | 0 | 113.8 | D114 R120 | D114-E116 VanDerWaalsContact C-N 3.3Å; D114-E116 PolarHBondContact O-N 3.27Å; E116-R120 VanDerWaalsContact CD-NH1 3.33Å; E116-R120 IonicContact OE1-CZ 4Å; E116-R120 IonicContact OE1-NH1 3.07Å; E116-R120 PolarHBondContact OE1-NH1 2.86Å; E116-R120 IonicContact OE1-NH2 3.34Å; E116-R120 PolarHBondContact OE1-NH2 3.28Å; E116-R120 VanDerWaalsContact OE1-NH2 3.07Å |
| 117 | E | 43.8 | Very low | 41.5 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 57% | 0.565 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -82.3 | -35.2 | -177.4 | -169.4 | 163.4 | -163.5 | 0 | 0 | 112.5 | A115 E119 R120 L121 | A115-E117 PolarHBondContact O-N 2.8Å; E117-E119 VanDerWaalsContact C-N 3.29Å; E117-E119 PolarHBondContact O-N 3.28Å; E117-R120 PolarHBondContact O-N 2.87Å; E117-L121 PolarHBondContact O-N 2.95Å; E117-L121 VanDerWaalsContact O-N 3.15Å |
| 118 | V | 46.9 | Very low | 41.1 | Very low | 106 Ų | 106 | 131.4 Ų | 131.4 | 64% | 0.642 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -64.1 | -34.7 | 177 | -177.8 | 0 | 0 | 0 | 0 | 111.5 | A122 | V118-A122 PolarHBondContact O-N 3.21Å |
| 119 | E | 48.7 | Very low | 41 | Very low | 158 Ų | 158 | 128.6 Ų | 128.6 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -74.6 | -33.3 | 177.6 | -167.9 | 154 | -148.9 | 0 | 0 | 112.3 | E117 A122 | E117-E119 VanDerWaalsContact C-N 3.29Å; E117-E119 PolarHBondContact O-N 3.28Å; E119-A122 PolarHBondContact O-N 3.31Å |
| 120 | R | 44.8 | Very low | 40.7 | Very low | 152 Ų | 152 | 130.5 Ų | 130.5 | 57% | 0.574 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -64.3 | -44.2 | 172.3 | -83.5 | -174.9 | 175.1 | 71.5 | -5.8 | 112.7 | E116 E117 A122 S123 | E116-R120 VanDerWaalsContact CD-NH1 3.33Å; E116-R120 IonicContact OE1-CZ 4Å; E116-R120 IonicContact OE1-NH1 3.07Å; E116-R120 PolarHBondContact OE1-NH1 2.86Å; E116-R120 IonicContact OE1-NH2 3.34Å; E116-R120 PolarHBondContact OE1-NH2 3.28Å; E116-R120 VanDerWaalsContact OE1-NH2 3.07Å; E117-R120 PolarHBondContact O-N 2.87Å; R120-A122 PolarHBondContact O-N 3.14Å; R120-S123 PolarHBondContact O-N 3.38Å; R120-S123 VanDerWaalsContact O-N 3.12Å |
| 121 | L | 42.4 | Very low | 41 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 62% | 0.623 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -66 | -22.9 | -179.6 | -70.2 | 172 | 0 | 0 | 0 | 113.6 | E117 | E117-L121 PolarHBondContact O-N 2.95Å; E117-L121 VanDerWaalsContact O-N 3.15Å |
| 122 | A | 46 | Very low | 40.4 | Very low | 81 Ų | 81 | 126.5 Ų | 126.5 | 67% | 0.669 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -75.6 | -24.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V118 E119 R120 | V118-A122 PolarHBondContact O-N 3.21Å; E119-A122 PolarHBondContact O-N 3.31Å; R120-A122 PolarHBondContact O-N 3.14Å |
| 123 | S | 42.5 | Very low | 40 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -13.5 | -170.2 | -160.7 | 0 | 0 | 0 | 0 | 114.6 | R120 R125 | R120-S123 PolarHBondContact O-N 3.38Å; R120-S123 VanDerWaalsContact O-N 3.12Å; S123-R125 PolarHBondContact O-N 2.8Å |
| 124 | M | 37.4 | Very low | 39.2 | Very low | 164 Ų | 164 | 131 Ų | 131 | 81% | 0.808 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | 22.9 | -170.1 | -65.7 | -171.4 | 69.5 | 0 | 0 | 115.7 | ||
| 125 | R | 40.5 | Very low | 39.1 | Very low | 227 Ų | 227 | 130 Ų | 130 | 86% | 0.857 | 73% | 0.731 | S | S | * | * | trans | -140 | 67.8 | -177.4 | -74 | -165 | 172.1 | 100.7 | -2.4 | 115.7 | S123 | S123-R125 PolarHBondContact O-N 2.8Š| ||
| 126 | S | 30.3 | Very low | 40 | Very low | 106 Ų | 106 | 131.4 Ų | 131.4 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | trans | -160.4 | 90 | 158.4 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 127 | D | 32 | Very low | 40 | Very low | 162 Ų | 162 | 130.8 Ų | 130.8 | 87% | 0.866 | 74% | 0.74 | S | S | * | * | trans | -157.5 | 114.5 | 158.8 | -117.2 | -32.1 | 0 | 0 | 0 | 113 | ||||
| 128 | S | 29.9 | Very low | 39.6 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | trans | 178.2 | 154.7 | 148.7 | 56.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 129 | L | 34.2 | Very low | 39.3 | Very low | 153 Ų | 153 | 138.6 Ų | 138.6 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | trans | -115.4 | 131.1 | -163.8 | -70.6 | 147.6 | 0 | 0 | 0 | 112.4 | ||||
| 130 | V | 31.2 | Very low | 39.5 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | 51.2 | 148.5 | 118.4 | -177.3 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 131 | P | 42.4 | Very low | 39.3 | Very low | 120 Ų | 120 | 147.1 Ų | 147.1 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | cis | -131.9 | 166.8 | -10.4 | 33.3 | -14.1 | 0 | 0 | 0 | 117.4 | ||||
| 132 | G | 30.3 | Very low | 39.8 | Very low | 66 Ų | 66 | 145.5 Ų | 145.5 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | 108.8 | 121.8 | 125 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 133 | T | 31.3 | Very low | 40.3 | Very low | 148 Ų | 148 | 151.3 Ų | 151.3 | 91% | 0.908 | 80% | 0.796 | S | S | * | * | 178 | 130.3 | 106.1 | 33.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 134 | H | 29.7 | Very low | 40.8 | Very low | 178 Ų | 178 | 154.2 Ų | 154.2 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | 59.6 | 123.3 | 146.9 | -149 | -94.8 | 0 | 0 | 0 | 124.3 | ||||
| 135 | T | 41.7 | Very low | 41.6 | Very low | 117 Ų | 117 | 150.7 Ų | 150.7 | 72% | 0.718 | 79% | 0.793 | S | S | * | * | trans | -151.7 | 175.4 | 159.3 | 58.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 136 | P | 61.3 | Low | 42.2 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | cis | -127.7 | -148.5 | 0.8 | 32.5 | -7 | 0 | 0 | 0 | 111.9 | ||||
| 137 | P | 52.3 | Low | 43.5 | Very low | 115 Ų | 115 | 147.9 Ų | 147.9 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | -144.6 | 142 | 81 | 37.3 | -19.4 | 0 | 0 | 0 | 118 | |||||
| 138 | I | 36.5 | Very low | 44.5 | Very low | 141 Ų | 141 | 143.5 Ų | 143.5 | 72% | 0.723 | 79% | 0.785 | S | S | * | * | trans | 52.6 | 109.7 | 140.7 | -56.8 | 174 | 0 | 0 | 0 | 119.9 | ||||
| 139 | R | 40.8 | Very low | 46 | Very low | 250 Ų | 250 | 148.4 Ų | 148.4 | 94% | 0.943 | 79% | 0.785 | S | S | * | * | -134.1 | 148.1 | 114.5 | -118.5 | -177 | 170.4 | 120.2 | -1 | 110.3 | |||||
| 140 | R | 51.5 | Low | 47.2 | Very low | 239 Ų | 239 | 148.5 Ų | 148.5 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -76.7 | 131.4 | -163.8 | -59.1 | 160.1 | 94.3 | 157.9 | 2.7 | 111.4 | ||||
| 141 | R | 41.4 | Very low | 48.2 | Very low | 250 Ų | 250 | 151.4 Ų | 151.4 | 94% | 0.943 | 79% | 0.788 | S | S | * | * | trans | -131 | 153.2 | 162.3 | -89 | -168.5 | 174 | -93.3 | -1.5 | 111.5 | ||||
| 142 | S | 52 | Low | 49.1 | Very low | 86 Ų | 86 | 154 Ų | 154 | 60% | 0.601 | 79% | 0.787 | S | S | * | * | trans | -79 | 156.5 | -165.7 | -171 | 0 | 0 | 0 | 0 | 114.3 | F144 | S142-F144 PolarHBondContact O-N 2.74Š| ||
| 143 | K | 56.8 | Low | 49.9 | Very low | 203 Ų | 203 | 156 Ų | 156 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 23.2 | -175.8 | -68.4 | -172.3 | 174.4 | -176.9 | 0 | 115.2 | ||
| 144 | F | 53.2 | Low | 50.9 | Low | 161 Ų | 161 | 159.6 Ų | 159.6 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | 11.1 | 179.9 | -67.1 | -66.9 | 0 | 0 | 0 | 114.5 | S142 T146 L147 | S142-F144 PolarHBondContact O-N 2.74Å; F144-T146 PolarHBondContact O-N 2.76Å; F144-L147 PolarHBondContact O-N 3.44Å |
| 145 | A | 54.3 | Low | 52 | Low | 90 Ų | 90 | 160.1 Ų | 160.1 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | G | 310 helix | trans | -62.3 | -12.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 146 | T | 53.6 | Low | 52.3 | Low | 132 Ų | 132 | 165.3 Ų | 165.3 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -73.7 | -22.3 | -178.7 | -36.6 | 0 | 0 | 0 | 0 | 113.7 | F144 | F144-T146 PolarHBondContact O-N 2.76Š|
| 147 | L | 56.5 | Low | 51.4 | Low | 142 Ų | 142 | 172 Ų | 172 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | G | 310 helix | trans | -79.8 | -14.8 | -179.4 | -70.1 | 171.4 | 0 | 0 | 0 | 113.8 | F144 R149 | F144-L147 PolarHBondContact O-N 3.44Å; L147-R149 PolarHBondContact O-N 3.4Å |
| 148 | G | 54.3 | Low | 51.3 | Low | 71 Ų | 71 | 174.7 Ų | 174.7 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 18 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 149 | R | 61.6 | Low | 52.1 | Low | 225 Ų | 225 | 177.4 Ų | 177.4 | 85% | 0.849 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.9 | -9.3 | -179.8 | -78.5 | -169.4 | 170.2 | -148.3 | -1.6 | 115.6 | L147 | L147-R149 PolarHBondContact O-N 3.4Š|
| 150 | L | 59 | Low | 52.7 | Low | 155 Ų | 155 | 172.7 Ų | 172.7 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -80.6 | -27.7 | -179.1 | -123.1 | 70.9 | 0 | 0 | 0 | 114 | ||
| 151 | F | 52.1 | Low | 53.5 | Low | 187 Ų | 187 | 164 Ų | 164 | 82% | 0.82 | 77% | 0.772 | S | S | * | * | trans | -117.7 | 80.7 | 174.8 | -73.8 | -82 | 0 | 0 | 0 | 111.3 | ||||
| 152 | K | 61.9 | Low | 55 | Low | 174 Ų | 174 | 159.8 Ų | 159.8 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | trans | -63.2 | 133.8 | 150.9 | -64.9 | 174.9 | -177.6 | 172.5 | 0 | 106.7 | W154 | K152-W154 PolarHBondContact O-N 2.84Š| ||
| 153 | P | 46.8 | Very low | 55.8 | Low | 107 Ų | 107 | 163.5 Ų | 163.5 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | trans | -58.1 | 133.9 | 173.7 | 25 | -33.4 | 0 | 0 | 0 | 109.1 | K155 | P153-K155 VanDerWaalsContact C-N 3.29Å; P153-K155 PolarHBondContact O-N 3.16Å | ||
| 154 | W | 50.8 | Low | 56.5 | Low | 224 Ų | 224 | 159.6 Ų | 159.6 | 85% | 0.848 | 75% | 0.751 | S | S | * | * | trans | -63.7 | 86.2 | -178.3 | -81.7 | -19.6 | 0 | 0 | 0 | 111.2 | K152 W156 | K152-W154 PolarHBondContact O-N 2.84Å; W154-W156 PolarHBondContact O-N 2.8Å | ||
| 155 | K | 53.7 | Low | 57.6 | Low | 190 Ų | 190 | 157.9 Ų | 157.9 | 83% | 0.826 | 74% | 0.744 | S | S | * | * | trans | -71.3 | 95.5 | 165.7 | -69.7 | -165.9 | 175.9 | -170.4 | 0 | 108 | P153 R157 | P153-K155 VanDerWaalsContact C-N 3.29Å; P153-K155 PolarHBondContact O-N 3.16Å; K155-R157 PolarHBondContact O-N 3.24Å | ||
| 156 | W | 47.1 | Very low | 58.6 | Low | 226 Ų | 226 | 159.9 Ų | 159.9 | 86% | 0.856 | 74% | 0.737 | S | S | * | * | trans | -58.4 | 83.7 | 171.4 | -67.7 | 85.3 | 0 | 0 | 0 | 110.4 | W154 K158 | W154-W156 PolarHBondContact O-N 2.8Å; W156-K158 VanDerWaalsContact C-N 3.27Å; W156-K158 PolarHBondContact O-N 3.11Å | ||
| 157 | R | 43.9 | Very low | 60 | Low | 243 Ų | 243 | 157.5 Ų | 157.5 | 92% | 0.917 | 72% | 0.723 | S | S | * | * | trans | -69.8 | 91.4 | 171.3 | -142.1 | -171.1 | -166.4 | -144.2 | 4 | 106.5 | K155 K159 | K155-R157 PolarHBondContact O-N 3.24Å; R157-K159 PolarHBondContact O-N 3.31Å | ||
| 158 | K | 49.4 | Very low | 61.1 | Low | 172 Ų | 172 | 152.4 Ų | 152.4 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | trans | -66 | 77.2 | -177 | -168.8 | 169.5 | -178.5 | 170.7 | 0 | 110 | W156 K160 | W156-K158 VanDerWaalsContact C-N 3.27Å; W156-K158 PolarHBondContact O-N 3.11Å; K158-K160 VanDerWaalsContact C-N 3.26Å; K158-K160 PolarHBondContact O-N 3.31Å | ||
| 159 | K | 53.5 | Low | 62.1 | Low | 199 Ų | 199 | 151 Ų | 151 | 87% | 0.865 | 68% | 0.681 | S | S | * | * | trans | -60.5 | 92.7 | 168 | -175.5 | 175.5 | -176.6 | 177.2 | 0 | 105.9 | R157 S161 | R157-K159 PolarHBondContact O-N 3.31Å; K159-S161 VanDerWaalsContact C-N 3.28Å; K159-S161 PolarHBondContact O-N 3.11Å | ||
| 160 | K | 53.6 | Low | 63 | Low | 150 Ų | 150 | 143.5 Ų | 143.5 | 65% | 0.652 | 66% | 0.66 | S | S | * | * | trans | -59.4 | 95 | 173.9 | -73.4 | -172.4 | 172.8 | -175.9 | 0 | 106.5 | K158 E162 | K158-K160 VanDerWaalsContact C-N 3.26Å; K158-K160 PolarHBondContact O-N 3.31Å; K160-E162 PolarHBondContact O-N 3.18Å | ||
| 161 | S | 67.9 | Low | 63.6 | Low | 58 Ų | 58 | 141.8 Ų | 141.8 | 41% | 0.406 | 65% | 0.651 | S | S | . | * | trans | -62.2 | 139.7 | 175 | 60.6 | 0 | 0 | 0 | 0 | 107.7 | K159 K163 F164 K165 | K159-S161 VanDerWaalsContact C-N 3.28Å; K159-S161 PolarHBondContact O-N 3.11Å; S161-K163 PolarHBondContact O-N 3.18Å; S161-F164 WeakPolarHBondContact O-CB 3.46Å; S161-F164 PolarHBondContact O-N 3.23Å; S161-F164 VanDerWaalsContact OG-CB 3.26Å; S161-F164 WeakPolarHBondContact OG-CB 3.41Å; S161-F164 PolarHBondContact OG-N 3.29Å; S161-K165 PolarHBondContact O-N 3.19Å; S161-K165 VanDerWaalsContact O-N 3.15Å | ||
| 162 | E | 72.8 | Confident | 64.7 | Low | 161 Ų | 161 | 138.3 Ų | 138.3 | 75% | 0.752 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -54.6 | -42.4 | 174.3 | -175.9 | 175.1 | -168.2 | 0 | 0 | 110.6 | K160 F164 K165 Q166 | K160-E162 PolarHBondContact O-N 3.18Å; E162-F164 VanDerWaalsContact C-N 3.29Å; E162-F164 PolarHBondContact O-N 3.34Å; E162-K165 WeakPolarHBondContact O-CA 3.28Å; E162-K165 WeakPolarHBondContact O-CB 3.49Å; E162-K165 PolarHBondContact O-N 3.2Å; E162-Q166 WeakPolarHBondContact O-CB 3.47Å; E162-Q166 PolarHBondContact O-N 2.71Å |
| 163 | K | 69.6 | Low | 65.2 | Low | 164 Ų | 164 | 138.4 Ų | 138.4 | 71% | 0.713 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -54 | -38.6 | 171.6 | -60.7 | -170.9 | 176.9 | -172.4 | 0 | 113.2 | S161 Q166 T167 | S161-K163 PolarHBondContact O-N 3.18Å; K163-Q166 PolarHBondContact O-N 2.94Å; K163-T167 WeakPolarHBondContact O-CG2 3.44Å; K163-T167 PolarHBondContact O-N 3.33Å; K163-T167 PolarHBondContact O-OG1 2.98Å; K163-T167 VanDerWaalsContact O-OG1 3.14Å |
| 164 | F | 70.9 | Confident | 66.3 | Low | 120 Ų | 120 | 139.9 Ų | 139.9 | 53% | 0.526 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -70.4 | -38.7 | 175 | -176.1 | -88.1 | 0 | 0 | 0 | 112.6 | S161 E162 Q166 T167 S168 | S161-F164 WeakPolarHBondContact O-CB 3.46Å; S161-F164 PolarHBondContact O-N 3.23Å; S161-F164 VanDerWaalsContact OG-CB 3.26Å; S161-F164 WeakPolarHBondContact OG-CB 3.41Å; S161-F164 PolarHBondContact OG-N 3.29Å; E162-F164 VanDerWaalsContact C-N 3.29Å; E162-F164 PolarHBondContact O-N 3.34Å; F164-Q166 VanDerWaalsContact C-N 3.31Å; F164-T167 WeakPolarHBondContact CA-OG1 3.33Å; F164-T167 PolarHBondContact O-N 2.98Å; F164-T167 PolarHBondContact O-OG1 2.97Å; F164-S168 WeakPolarHBondContact O-CB 3.39Å; F164-S168 PolarHBondContact O-N 3.36Å; F164-S168 PolarHBondContact O-OG 3.08Å |
| 165 | K | 75.4 | Confident | 66.5 | Low | 126 Ų | 126 | 135.7 Ų | 135.7 | 55% | 0.548 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.4 | -39.7 | 172.7 | -60 | -177.3 | -176.3 | 176.7 | 0 | 111.2 | S161 E162 S168 A169 | S161-K165 PolarHBondContact O-N 3.19Å; S161-K165 VanDerWaalsContact O-N 3.15Å; E162-K165 WeakPolarHBondContact O-CA 3.28Å; E162-K165 WeakPolarHBondContact O-CB 3.49Å; E162-K165 PolarHBondContact O-N 3.2Å; K165-S168 PolarHBondContact O-N 2.86Å; K165-S168 PolarHBondContact O-OG 2.91Å; K165-A169 WeakPolarHBondContact O-CB 3.35Å; K165-A169 PolarHBondContact O-N 3.47Å |
| 166 | Q | 77.3 | Confident | 66.5 | Low | 131 Ų | 131 | 131.6 Ų | 131.6 | 61% | 0.612 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.5 | -43.6 | 178.9 | -165 | 177.9 | 23.8 | 0 | 0 | 110.8 | E162 K163 F164 V170 | E162-Q166 WeakPolarHBondContact O-CB 3.47Å; E162-Q166 PolarHBondContact O-N 2.71Å; K163-Q166 PolarHBondContact O-N 2.94Å; F164-Q166 VanDerWaalsContact C-N 3.31Å; Q166-V170 WeakPolarHBondContact O-CB 3.47Å; Q166-V170 VanDerWaalsContact O-CG2 3.27Å; Q166-V170 WeakPolarHBondContact O-CG2 3.49Å; Q166-V170 PolarHBondContact O-N 2.7Å |
| 167 | T | 81.1 | Confident | 66.9 | Low | 83 Ų | 83 | 126 Ų | 126 | 51% | 0.509 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.2 | -36 | 173.6 | 54.7 | 0 | 0 | 0 | 0 | 112.5 | K163 F164 V170 L171 | K163-T167 WeakPolarHBondContact O-CG2 3.44Å; K163-T167 PolarHBondContact O-N 3.33Å; K163-T167 PolarHBondContact O-OG1 2.98Å; K163-T167 VanDerWaalsContact O-OG1 3.14Å; F164-T167 WeakPolarHBondContact CA-OG1 3.33Å; F164-T167 PolarHBondContact O-N 2.98Å; F164-T167 PolarHBondContact O-OG1 2.97Å; T167-V170 PolarHBondContact O-N 2.81Å; T167-L171 WeakPolarHBondContact O-CB 3.24Å; T167-L171 PolarHBondContact O-N 3.26Å |
| 168 | S | 80.6 | Confident | 67.9 | Low | 35 Ų | 35 | 124.2 Ų | 124.2 | 25% | 0.245 | 60% | 0.599 | C | S | . | * | H | α-helix | trans | -67.6 | -45.2 | 176.1 | 73.2 | 0 | 0 | 0 | 0 | 111.5 | F164 K165 V170 L171 E172 | F164-S168 WeakPolarHBondContact O-CB 3.39Å; F164-S168 PolarHBondContact O-N 3.36Å; F164-S168 PolarHBondContact O-OG 3.08Å; K165-S168 PolarHBondContact O-N 2.86Å; K165-S168 PolarHBondContact O-OG 2.91Å; S168-V170 VanDerWaalsContact C-N 3.31Å; S168-V170 PolarHBondContact O-N 2.99Å; S168-L171 CarbonylContact O-C 3.56Å; S168-L171 WeakPolarHBondContact O-CA 3.49Å; S168-L171 WeakPolarHBondContact O-CB 3.27Å; S168-L171 PolarHBondContact O-N 3.16Å; S168-E172 WeakPolarHBondContact O-CB 3.39Å; S168-E172 VanDerWaalsContact O-CG 3.3Å; S168-E172 WeakPolarHBondContact O-CG 3.44Å; S168-E172 PolarHBondContact O-N 2.92Å |
| 169 | A | 75.9 | Confident | 69.1 | Low | 41 Ų | 41 | 120.7 Ų | 120.7 | 34% | 0.339 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.6 | -33.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | K165 R173 | K165-A169 WeakPolarHBondContact O-CB 3.35Å; K165-A169 PolarHBondContact O-N 3.47Å; A169-R173 WeakPolarHBondContact O-CB 3.17Å; A169-R173 PolarHBondContact O-N 3.11Å |
| 170 | V | 79 | Confident | 70.3 | Confident | 67 Ų | 67 | 113 Ų | 113 | 41% | 0.406 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -70.5 | -34.7 | 171.4 | 169.1 | 0 | 0 | 0 | 0 | 111.6 | Q166 T167 S168 K174 | Q166-V170 WeakPolarHBondContact O-CB 3.47Å; Q166-V170 VanDerWaalsContact O-CG2 3.27Å; Q166-V170 WeakPolarHBondContact O-CG2 3.49Å; Q166-V170 PolarHBondContact O-N 2.7Å; T167-V170 PolarHBondContact O-N 2.81Å; S168-V170 VanDerWaalsContact C-N 3.31Å; S168-V170 PolarHBondContact O-N 2.99Å; V170-K174 HydrophobicContact CG1-CD 4.38Å; V170-K174 WeakPolarHBondContact O-CB 3.39Å; V170-K174 WeakPolarHBondContact O-CG 3.48Å; V170-K174 PolarHBondContact O-N 3.25Å |
| 171 | L | 71.9 | Confident | 71.3 | Confident | 120 Ų | 120 | 112.2 Ų | 112.2 | 63% | 0.628 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -68.7 | -46.5 | 174 | -137.9 | 78.6 | 0 | 0 | 0 | 111.4 | T167 S168 R173 K174 M175 | T167-L171 WeakPolarHBondContact O-CB 3.24Å; T167-L171 PolarHBondContact O-N 3.26Å; S168-L171 CarbonylContact O-C 3.56Å; S168-L171 WeakPolarHBondContact O-CA 3.49Å; S168-L171 WeakPolarHBondContact O-CB 3.27Å; S168-L171 PolarHBondContact O-N 3.16Å; L171-R173 VanDerWaalsContact C-N 3.35Å; L171-R173 PolarHBondContact O-N 3.05Å; L171-K174 CarbonylContact O-C 3.51Å; L171-K174 PolarHBondContact O-N 2.89Å; L171-K174 VanDerWaalsContact O-N 3.09Å; L171-M175 WeakPolarHBondContact O-CG 3.43Å; L171-M175 PolarHBondContact O-N 3.28Å |
| 172 | E | 75.6 | Confident | 71.7 | Confident | 113 Ų | 113 | 115.6 Ų | 115.6 | 53% | 0.528 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -58.5 | -44.5 | 176.7 | -74.4 | 158.9 | -173 | 0 | 0 | 110.9 | S168 M175 S176 | S168-E172 WeakPolarHBondContact O-CB 3.39Å; S168-E172 VanDerWaalsContact O-CG 3.3Å; S168-E172 WeakPolarHBondContact O-CG 3.44Å; S168-E172 PolarHBondContact O-N 2.92Å; E172-M175 WeakPolarHBondContact O-CG 3.49Å; E172-S176 WeakPolarHBondContact O-CB 3.11Å; E172-S176 PolarHBondContact O-N 2.83Å |
| 173 | R | 73.5 | Confident | 72 | Confident | 177 Ų | 177 | 112.4 Ų | 112.4 | 67% | 0.668 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.1 | -43.5 | 172 | -168.3 | 173.2 | -64.9 | 142.5 | 2.9 | 112.1 | A169 L171 S176 T177 | A169-R173 WeakPolarHBondContact O-CB 3.17Å; A169-R173 PolarHBondContact O-N 3.11Å; L171-R173 VanDerWaalsContact C-N 3.35Å; L171-R173 PolarHBondContact O-N 3.05Å; R173-S176 CarbonylContact O-C 3.56Å; R173-S176 WeakPolarHBondContact O-CA 3.15Å; R173-S176 WeakPolarHBondContact O-CB 3.21Å; R173-S176 PolarHBondContact O-N 3.47Å; R173-T177 PolarHBondContact O-N 2.91Å; R173-T177 PolarHBondContact O-OG1 3.25Å |
| 174 | K | 67.8 | Low | 72.5 | Confident | 138 Ų | 138 | 107.2 Ų | 107.2 | 60% | 0.6 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.8 | -32.5 | -179.2 | -80.6 | -173.2 | 173.2 | -170.2 | 0 | 114.4 | V170 L171 T177 R178 | V170-K174 HydrophobicContact CG1-CD 4.38Å; V170-K174 WeakPolarHBondContact O-CB 3.39Å; V170-K174 WeakPolarHBondContact O-CG 3.48Å; V170-K174 PolarHBondContact O-N 3.25Å; L171-K174 CarbonylContact O-C 3.51Å; L171-K174 PolarHBondContact O-N 2.89Å; L171-K174 VanDerWaalsContact O-N 3.09Å; K174-T177 PolarHBondContact O-N 2.96Å; K174-R178 PolarHBondContact O-N 3.47Å |
| 175 | M | 55.3 | Low | 73 | Confident | 135 Ų | 135 | 103.1 Ų | 103.1 | 67% | 0.665 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.7 | -36.4 | 169.4 | 62.2 | -170.6 | -80.3 | 0 | 0 | 110.7 | L171 E172 T177 R178 | L171-M175 WeakPolarHBondContact O-CG 3.43Å; L171-M175 PolarHBondContact O-N 3.28Å; E172-M175 WeakPolarHBondContact O-CG 3.49Å; M175-T177 PolarHBondContact O-N 3.11Å; M175-R178 PolarHBondContact O-N 3.38Å |
| 176 | S | 55.5 | Low | 73.6 | Confident | 104 Ų | 104 | 106.2 Ų | 106.2 | 73% | 0.727 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -5.6 | 170.3 | -172.1 | 0 | 0 | 0 | 0 | 114.7 | E172 R173 | E172-S176 WeakPolarHBondContact O-CB 3.11Å; E172-S176 PolarHBondContact O-N 2.83Å; R173-S176 CarbonylContact O-C 3.56Å; R173-S176 WeakPolarHBondContact O-CA 3.15Å; R173-S176 WeakPolarHBondContact O-CB 3.21Å; R173-S176 PolarHBondContact O-N 3.47Å |
| 177 | T | 55 | Low | 73.8 | Confident | 110 Ų | 110 | 105.6 Ų | 105.6 | 68% | 0.675 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | 2.2 | 171.4 | -17.2 | 0 | 0 | 0 | 0 | 112.8 | R173 K174 M175 | R173-T177 PolarHBondContact O-N 2.91Å; R173-T177 PolarHBondContact O-OG1 3.25Å; K174-T177 PolarHBondContact O-N 2.96Å; M175-T177 PolarHBondContact O-N 3.11Å |
| 178 | R | 65.1 | Low | 73.5 | Confident | 205 Ų | 205 | 104.9 Ų | 104.9 | 77% | 0.774 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -100.8 | 145.3 | 170 | -70.5 | 178.3 | 173.7 | -154.8 | -7 | 107.8 | K174 M175 S180 | K174-R178 PolarHBondContact O-N 3.47Å; M175-R178 PolarHBondContact O-N 3.38Å; R178-S180 PolarHBondContact O-N 3.46Å |
| 179 | Q | 73.7 | Confident | 73.2 | Confident | 97 Ų | 97 | 109.3 Ų | 109.3 | 45% | 0.453 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 137.2 | 177.4 | -65.3 | 178.4 | 28.8 | 0 | 0 | 109.5 | E183 L184 K187 | Q179-E183 WeakPolarHBondContact CA-OE2 3.36Å; Q179-E183 HydrophobicContact CB-CB 4.24Å; Q179-E183 WeakPolarHBondContact CB-OE2 3.5Å; Q179-L184 HydrophobicContact CB-CD2 4.16Å; Q179-L184 HydrophobicContact CB-CG 4.24Å; Q179-K187 VanDerWaalsContact CD-NZ 3.31Å |
| 180 | S | 78.9 | Confident | 72.6 | Confident | 39 Ų | 39 | 110.9 Ų | 110.9 | 27% | 0.273 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 163.2 | -173.3 | 96.3 | 0 | 0 | 0 | 0 | 111.3 | R178 E182 E183 L184 | R178-S180 PolarHBondContact O-N 3.46Å; S180-E182 VanDerWaalsContact CB-OE2 3.27Å; S180-E182 WeakPolarHBondContact CB-OE2 3.41Å; S180-E182 PolarHBondContact O-N 3.26Å; S180-E182 PolarHBondContact OG-N 3.07Å; S180-E182 VanDerWaalsContact OG-N 3.11Å; S180-E182 PolarHBondContact OG-OE2 3.12Å; S180-E183 PolarHBondContact N-OE2 3.08Å; S180-E183 PolarHBondContact O-N 3.27Å; S180-E183 VanDerWaalsContact O-N 3.15Å; S180-E183 PolarHBondContact OG-N 3.44Å; S180-L184 WeakPolarHBondContact O-CG 3.47Å; S180-L184 PolarHBondContact O-N 3.15Å |
| 181 | R | 74.7 | Confident | 71.9 | Confident | 132 Ų | 132 | 116.6 Ų | 116.6 | 50% | 0.498 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -58 | -39 | 172.9 | -175.2 | -179.5 | 173.9 | -100.5 | 4.6 | 110.5 | I185 L190 V193 | R181-I185 HydrophobicContact CG-CD1 4.06Å; R181-I185 WeakPolarHBondContact O-CD1 3.43Å; R181-I185 VanDerWaalsContact O-CG1 3.24Å; R181-I185 WeakPolarHBondContact O-CG1 3.35Å; R181-I185 PolarHBondContact O-N 3.24Å; R181-L190 HydrophobicContact CG-CD2 3.72Å; R181-V193 PolarHBondContact NH2-O 2.64Å |
| 182 | E | 75.4 | Confident | 71.7 | Confident | 130 Ų | 130 | 116 Ų | 116 | 61% | 0.607 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.2 | -38.2 | 176.1 | -50.4 | 78.7 | -146.6 | 0 | 0 | 112.2 | S180 I185 K186 | S180-E182 VanDerWaalsContact CB-OE2 3.27Å; S180-E182 WeakPolarHBondContact CB-OE2 3.41Å; S180-E182 PolarHBondContact O-N 3.26Å; S180-E182 PolarHBondContact OG-N 3.07Å; S180-E182 VanDerWaalsContact OG-N 3.11Å; S180-E182 PolarHBondContact OG-OE2 3.12Å; E182-I185 PolarHBondContact O-N 2.66Å; E182-K186 VanDerWaalsContact O-CB 3.3Å; E182-K186 WeakPolarHBondContact O-CB 3.36Å; E182-K186 PolarHBondContact O-N 2.92Å |
| 183 | E | 79.8 | Confident | 71 | Confident | 93 Ų | 93 | 115.3 Ų | 115.3 | 44% | 0.435 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.2 | -38.8 | 175.9 | -69.2 | -177.5 | 139.5 | 0 | 0 | 112.6 | Q179 S180 K186 K187 | Q179-E183 WeakPolarHBondContact CA-OE2 3.36Å; Q179-E183 HydrophobicContact CB-CB 4.24Å; Q179-E183 WeakPolarHBondContact CB-OE2 3.5Å; S180-E183 PolarHBondContact N-OE2 3.08Å; S180-E183 PolarHBondContact O-N 3.27Å; S180-E183 VanDerWaalsContact O-N 3.15Å; S180-E183 PolarHBondContact OG-N 3.44Å; E183-K186 PolarHBondContact O-N 3.03Å; E183-K187 WeakPolarHBondContact O-CB 3.23Å; E183-K187 VanDerWaalsContact O-CG 3.29Å; E183-K187 WeakPolarHBondContact O-CG 3.32Å; E183-K187 PolarHBondContact O-N 2.96Å |
| 184 | L | 79.9 | Confident | 70 | Confident | 56 Ų | 56 | 114.9 Ų | 114.9 | 29% | 0.293 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.8 | -36 | 175.5 | -67.5 | 173.7 | 0 | 0 | 0 | 111.8 | Q179 S180 K187 G188 L189 L190 | Q179-L184 HydrophobicContact CB-CD2 4.16Å; Q179-L184 HydrophobicContact CB-CG 4.24Å; S180-L184 WeakPolarHBondContact O-CG 3.47Å; S180-L184 PolarHBondContact O-N 3.15Å; L184-K187 PolarHBondContact O-N 3.32Å; L184-G188 PolarHBondContact O-N 3.1Å; L184-L189 HydrophobicContact CD2-CB 4.29Å; L184-L189 HydrophobicContact CD2-CD1 3.96Å; L184-L189 PolarHBondContact O-N 3.08Å; L184-L190 HydrophobicContact CB-CB 4.06Å; L184-L190 PolarHBondContact O-N 2.91Å |
| 185 | I | 82.1 | Confident | 69 | Low | 33 Ų | 33 | 117.9 Ų | 117.9 | 17% | 0.169 | 58% | 0.58 | C | S | . | * | H | α-helix | trans | -64.5 | -48.1 | 170.6 | -70.1 | 163.8 | 0 | 0 | 0 | 110.5 | R181 E182 K187 G188 L190 E192 | R181-I185 HydrophobicContact CG-CD1 4.06Å; R181-I185 WeakPolarHBondContact O-CD1 3.43Å; R181-I185 VanDerWaalsContact O-CG1 3.24Å; R181-I185 WeakPolarHBondContact O-CG1 3.35Å; R181-I185 PolarHBondContact O-N 3.24Å; E182-I185 PolarHBondContact O-N 2.66Å; I185-K187 PolarHBondContact O-N 3.25Å; I185-K187 VanDerWaalsContact O-N 3.17Å; I185-G188 PolarHBondContact O-N 2.69Å; I185-L190 WeakPolarHBondContact CA-O 3.45Å; I185-L190 HydrophobicContact CG1-CB 4.1Å; I185-L190 HydrophobicContact CG1-CD2 4.19Å; I185-L190 HydrophobicContact CG1-CG 4.33Å; I185-L190 WeakPolarHBondContact CG1-O 3.46Å; I185-E192 HydrophobicContact CG2-CB 3.85Å; I185-E192 HydrophobicContact CG2-CG 4.1Å |
| 186 | K | 86.9 | Confident | 68.3 | Low | 191 Ų | 191 | 120.6 Ų | 120.6 | 83% | 0.83 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.6 | -22.6 | 178.9 | -171.2 | 174.6 | -179.5 | -178.5 | 0 | 113.3 | E182 E183 | E182-K186 VanDerWaalsContact O-CB 3.3Å; E182-K186 WeakPolarHBondContact O-CB 3.36Å; E182-K186 PolarHBondContact O-N 2.92Å; E183-K186 PolarHBondContact O-N 3.03Å |
| 187 | K | 82.1 | Confident | 67.5 | Low | 118 Ų | 118 | 123.5 Ų | 123.5 | 51% | 0.513 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.2 | 5.7 | 173.9 | -69.2 | 176.3 | -174.3 | -177.9 | 0 | 113.9 | Q179 E183 L184 I185 L189 | Q179-K187 VanDerWaalsContact CD-NZ 3.31Å; E183-K187 WeakPolarHBondContact O-CB 3.23Å; E183-K187 VanDerWaalsContact O-CG 3.29Å; E183-K187 WeakPolarHBondContact O-CG 3.32Å; E183-K187 PolarHBondContact O-N 2.96Å; L184-K187 PolarHBondContact O-N 3.32Å; I185-K187 PolarHBondContact O-N 3.25Å; I185-K187 VanDerWaalsContact O-N 3.17Å; K187-L189 HydrophobicContact CB-CD1 4.16Å; K187-L189 HydrophobicContact CB-CG 4.27Å; K187-L189 PolarHBondContact O-N 3.42Å; K187-L189 VanDerWaalsContact O-N 3.11Å |
| 188 | G | 74.1 | Confident | 66.5 | Low | 68 Ų | 68 | 121.4 Ų | 121.4 | 70% | 0.701 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.9 | -2.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L184 I185 L190 | L184-G188 PolarHBondContact O-N 3.1Å; I185-G188 PolarHBondContact O-N 2.69Å; G188-L190 PolarHBondContact O-N 3.27Å |
| 189 | L | 74.9 | Confident | 64.9 | Low | 128 Ų | 128 | 118.1 Ų | 118.1 | 67% | 0.67 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -74.7 | -12.2 | -177.9 | -67 | 170.7 | 0 | 0 | 0 | 113.4 | L184 K187 | L184-L189 HydrophobicContact CD2-CB 4.29Å; L184-L189 HydrophobicContact CD2-CD1 3.96Å; L184-L189 PolarHBondContact O-N 3.08Å; K187-L189 HydrophobicContact CB-CD1 4.16Å; K187-L189 HydrophobicContact CB-CG 4.27Å; K187-L189 PolarHBondContact O-N 3.42Å; K187-L189 VanDerWaalsContact O-N 3.11Å |
| 190 | L | 62.8 | Low | 63 | Low | 74 Ų | 74 | 118.6 Ų | 118.6 | 39% | 0.387 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -140.6 | 127.5 | 176.3 | -170 | 70.1 | 0 | 0 | 0 | 110.1 | R181 L184 I185 G188 | R181-L190 HydrophobicContact CG-CD2 3.72Å; L184-L190 HydrophobicContact CB-CB 4.06Å; L184-L190 PolarHBondContact O-N 2.91Å; I185-L190 WeakPolarHBondContact CA-O 3.45Å; I185-L190 HydrophobicContact CG1-CB 4.1Å; I185-L190 HydrophobicContact CG1-CD2 4.19Å; I185-L190 HydrophobicContact CG1-CG 4.33Å; I185-L190 WeakPolarHBondContact CG1-O 3.46Å; G188-L190 PolarHBondContact O-N 3.27Å |
| 191 | K | 65.1 | Low | 60.9 | Low | 188 Ų | 188 | 121.9 Ų | 121.9 | 82% | 0.817 | 64% | 0.636 | S | S | * | * | trans | -69.9 | 132.4 | -179.1 | -161.8 | 166.4 | -173 | 170.5 | 0 | 110.7 | V193 | K191-V193 PolarHBondContact O-N 3.11Š| ||
| 192 | E | 67.8 | Low | 59.1 | Low | 108 Ų | 108 | 121.2 Ų | 121.2 | 51% | 0.505 | 65% | 0.648 | S | S | . | * | trans | -72.4 | 96.9 | -179.3 | -167.5 | 175.3 | -154.3 | 0 | 0 | 111.2 | I185 Y194 | I185-E192 HydrophobicContact CG2-CB 3.85Å; I185-E192 HydrophobicContact CG2-CG 4.1Å; E192-Y194 HydrophobicContact CG-CD2 4.04Å; E192-Y194 HydrophobicContact CG-CE2 3.61Å; E192-Y194 WeakPolarHBondContact OE1-CE2 3.28Å; E192-Y194 VanDerWaalsContact OE1-CZ 3.26Å; E192-Y194 PolarHBondContact OE1-OH 3.18Å | ||
| 193 | V | 60.8 | Low | 57.1 | Low | 98 Ų | 98 | 121.1 Ų | 121.1 | 59% | 0.594 | 66% | 0.656 | S | S | * | * | trans | -93.3 | 108.7 | 169.5 | -174.2 | 0 | 0 | 0 | 0 | 108.4 | R181 K191 | R181-V193 PolarHBondContact NH2-O 2.64Å; K191-V193 PolarHBondContact O-N 3.11Å | ||
| 194 | Y | 52 | Low | 54.7 | Low | 168 Ų | 168 | 124.3 Ų | 124.3 | 66% | 0.659 | 68% | 0.676 | S | S | * | * | trans | -74.2 | 121.4 | 164.6 | -79.6 | -89.4 | 0 | 0 | 0 | 109.5 | E192 K196 | E192-Y194 HydrophobicContact CG-CD2 4.04Å; E192-Y194 HydrophobicContact CG-CE2 3.61Å; E192-Y194 WeakPolarHBondContact OE1-CE2 3.28Å; E192-Y194 VanDerWaalsContact OE1-CZ 3.26Å; E192-Y194 PolarHBondContact OE1-OH 3.18Å; Y194-K196 PolarHBondContact O-N 3.2Å | ||
| 195 | E | 47.8 | Very low | 52.5 | Low | 200 Ų | 200 | 132 Ų | 132 | 94% | 0.935 | 70% | 0.701 | S | S | * | * | trans | -68.4 | 112.6 | 160.5 | -71.7 | -174.6 | 126.7 | 0 | 0 | 108 | ||||
| 196 | K | 40.3 | Very low | 50.1 | Low | 193 Ų | 193 | 139.6 Ų | 139.6 | 84% | 0.839 | 74% | 0.736 | S | S | * | * | trans | -133.2 | 108.2 | 178.6 | -170.1 | 177.4 | -177 | -179.3 | 0 | 109.7 | Y194 | Y194-K196 PolarHBondContact O-N 3.2Š| ||
| 197 | D | 37.8 | Very low | 47.3 | Very low | 164 Ų | 164 | 138.6 Ų | 138.6 | 88% | 0.877 | 73% | 0.734 | S | S | * | * | trans | -61.6 | 139.8 | 175.8 | -68.5 | -69.3 | 0 | 0 | 0 | 112.1 | ||||
| 198 | G | 34.8 | Very low | 44.9 | Very low | 66 Ų | 66 | 139 Ų | 139 | 68% | 0.68 | 75% | 0.746 | S | S | * | * | trans | 94.2 | 94.6 | 149.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 199 | T | 32 | Very low | 42.7 | Very low | 136 Ų | 136 | 143.5 Ų | 143.5 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | trans | 92.4 | 131.4 | 141.1 | -41.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 200 | S | 33.1 | Very low | 40.6 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | 53.5 | 104.5 | 162.3 | 58.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 201 | S | 35 | Very low | 38.9 | Very low | 108 Ų | 108 | 148.4 Ų | 148.4 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 134.5 | 148.3 | 177.8 | 0 | 0 | 0 | 0 | 109.4 | ||
| 202 | P | 36.2 | Very low | 37.3 | Very low | 117 Ų | 117 | 146.4 Ų | 146.4 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 128.9 | 166.4 | 33 | -29.7 | 0 | 0 | 0 | 110.7 | ||
| 203 | V | 33.8 | Very low | 35.5 | Very low | 128 Ų | 128 | 145 Ų | 145 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 121.8 | 170.1 | 175.5 | 0 | 0 | 0 | 0 | 109.5 | ||
| 204 | L | 30.3 | Very low | 34 | Very low | 160 Ų | 160 | 152.2 Ų | 152.2 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -125 | 126.7 | 152.5 | -64.6 | 174.2 | 0 | 0 | 0 | 104.8 | ||||
| 205 | R | 31.9 | Very low | 32.8 | Very low | 218 Ų | 218 | 149.3 Ų | 149.3 | 82% | 0.823 | 80% | 0.799 | S | S | * | * | 52.7 | 75.5 | 52.2 | -84.8 | -162.3 | 176 | -102.8 | 3.2 | 112.1 | |||||
| 206 | E | 31.9 | Very low | 32.6 | Very low | 193 Ų | 193 | 145.4 Ų | 145.4 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | -70.3 | 124.1 | 152.2 | 177.8 | -178.1 | 168.1 | 0 | 0 | 109.2 | ||||
| 207 | E | 29.6 | Very low | 31.9 | Very low | 169 Ų | 169 | 140.8 Ų | 140.8 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -151.3 | 124.7 | 143.1 | -89.9 | -163.1 | -169.9 | 0 | 0 | 109 | ||||
| 208 | V | 31.3 | Very low | 31.7 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | 14.4 | 129.8 | 146.7 | -152.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 209 | K | 26.8 | Very low | 31.3 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 71% | 0.709 | 79% | 0.794 | S | S | * | * | 152.4 | 116.4 | 109.4 | -165.1 | 143.6 | 178.4 | 160.2 | 0 | 116 | |||||
| 210 | M | 31 | Very low | 31 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | trans | 69.1 | 111.9 | 148.2 | -77 | 163.7 | -177.4 | 0 | 0 | 122.7 | ||||
| 211 | E | 28.5 | Very low | 30.8 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | 83.1 | 129.7 | 110.2 | -140.9 | -158.8 | 119.9 | 0 | 0 | 122.6 | |||||
| 212 | N | 31.7 | Very low | 31.3 | Very low | 147 Ų | 147 | 144.1 Ų | 144.1 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | 45.9 | 112.7 | 152.2 | -75 | -30.5 | 0 | 0 | 0 | 121.2 | ||||
| 213 | G | 29 | Very low | 30.9 | Very low | 79 Ų | 79 | 143.9 Ų | 143.9 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | trans | -162.5 | 17.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 214 | R | 28.6 | Very low | 30.6 | Very low | 249 Ų | 249 | 145.9 Ų | 145.9 | 94% | 0.94 | 79% | 0.793 | S | S | * | * | trans | 43.7 | 111.9 | 160.4 | -162.7 | -179.6 | -171.2 | -161.7 | 4.2 | 120.6 | ||||
| 215 | S | 27.8 | Very low | 31.2 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -71.5 | -178.7 | 166.2 | 4.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 216 | P | 43.5 | Very low | 30.9 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | cis | -140.9 | -173.7 | -24 | 38.6 | -19.9 | 0 | 0 | 0 | 115 | ||||
| 217 | A | 24.4 | Very low | 30.7 | Very low | 97 Ų | 97 | 135.8 Ų | 135.8 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | 70.1 | 168.6 | 142.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 218 | L | 33.8 | Very low | 31.5 | Very low | 163 Ų | 163 | 133.5 Ų | 133.5 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | -121.4 | 159.8 | -176 | -78 | 171.4 | 0 | 0 | 0 | 112.1 | ||||
| 219 | S | 26.6 | Very low | 31.4 | Very low | 116 Ų | 116 | 135 Ų | 135 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | trans | 77.6 | 151.6 | 153.1 | 78.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 220 | S | 25.9 | Very low | 31.8 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -130.6 | 115 | 171.2 | -59.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 221 | I | 28.6 | Very low | 32 | Very low | 155 Ų | 155 | 133.3 Ų | 133.3 | 80% | 0.795 | 77% | 0.774 | S | S | * | * | 48.3 | 135 | 110.7 | -73.3 | 170.4 | 0 | 0 | 0 | 117.4 | |||||
| 222 | P | 46.5 | Very low | 32.2 | Very low | 107 Ų | 107 | 134 Ų | 134 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | cis | -149 | -174.4 | -12.5 | 39.7 | -18.4 | 0 | 0 | 0 | 117.9 | ||||
| 223 | S | 27.1 | Very low | 32.1 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | 105.6 | 117.7 | 139 | -65.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 224 | E | 27.6 | Very low | 32.3 | Very low | 170 Ų | 170 | 131.3 Ų | 131.3 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | -56.7 | 175.6 | 152.8 | -74.1 | -69.1 | 125.3 | 0 | 0 | 113.5 | ||||
| 225 | P | 43.3 | Very low | 32.4 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | cis | -146 | -173 | 24.4 | 33.4 | -7.3 | 0 | 0 | 0 | 119.4 | ||||
| 226 | E | 26.5 | Very low | 32.6 | Very low | 184 Ų | 184 | 126.2 Ų | 126.2 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | 96.6 | 138.8 | 154.7 | -50.4 | -156.5 | 122.9 | 0 | 0 | 120.6 | ||||
| 227 | G | 26.6 | Very low | 32.1 | Very low | 68 Ų | 68 | 125.1 Ų | 125.1 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | -105.8 | -149.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 228 | P | 45.9 | Very low | 32.4 | Very low | 121 Ų | 121 | 127 Ų | 127 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | cis | -146.9 | -162.2 | 16.1 | 43.3 | -21.7 | 0 | 0 | 0 | 116.3 | ||||
| 229 | E | 30.3 | Very low | 32.2 | Very low | 158 Ų | 158 | 124 Ų | 124 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | 88.1 | 143.4 | 143.4 | -83.2 | -74.4 | 78.3 | 0 | 0 | 124.8 | ||||
| 230 | L | 34.8 | Very low | 32.2 | Very low | 129 Ų | 129 | 121.7 Ų | 121.7 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | trans | 67.9 | 130.6 | 164.5 | -60.1 | 168.1 | 0 | 0 | 0 | 119.1 | ||||
| 231 | M | 34.9 | Very low | 32.4 | Very low | 147 Ų | 147 | 122.5 Ų | 122.5 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | cis | 82 | 138.2 | 43.1 | -168.3 | 170.9 | 164.8 | 0 | 0 | 111.6 | ||||
| 232 | E | 33.2 | Very low | 32.5 | Very low | 171 Ų | 171 | 122.2 Ų | 122.2 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | cis | -141.5 | -172.7 | 15.8 | -136.8 | 167.1 | 163.3 | 0 | 0 | 108.6 | ||||
| 233 | G | 29.7 | Very low | 31.7 | Very low | 70 Ų | 70 | 124.4 Ų | 124.4 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | cis | 179.4 | 172.4 | 7.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 234 | A | 32.9 | Very low | 31.7 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -111.4 | 168.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 235 | T | 29.9 | Very low | 31.8 | Very low | 154 Ų | 154 | 126.6 Ų | 126.6 | 95% | 0.945 | 77% | 0.772 | S | S | * | * | trans | -166.4 | 163.2 | 147.5 | 18.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 236 | A | 33.3 | Very low | 31.2 | Very low | 94 Ų | 94 | 128.8 Ų | 128.8 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | trans | -153.4 | -173.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 237 | A | 32.5 | Very low | 31.4 | Very low | 95 Ų | 95 | 128 Ų | 128 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | 79.3 | 159 | 165 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 238 | V | 30.1 | Very low | 31.6 | Very low | 136 Ų | 136 | 130.2 Ų | 130.2 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | cis | -166.9 | 159.8 | -14.6 | 117 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 239 | A | 29.6 | Very low | 31.1 | Very low | 102 Ų | 102 | 133.9 Ų | 133.9 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | 62.8 | 159.5 | 163 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 240 | G | 27.5 | Very low | 30.9 | Very low | 66 Ų | 66 | 130 Ų | 130 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | cis | 156.7 | 154.4 | -13.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 241 | C | 29.6 | Very low | 30.9 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 87% | 0.865 | 79% | 0.793 | S | S | * | * | trans | 65.2 | 158.3 | 168.4 | -67.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 242 | L | 31.7 | Very low | 30.5 | Very low | 148 Ų | 148 | 129.6 Ų | 129.6 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | cis | -152.2 | -171.2 | -6.3 | -122.7 | 169.3 | 0 | 0 | 0 | 111.2 | ||||
| 243 | E | 28.8 | Very low | 30.8 | Very low | 153 Ų | 153 | 129.8 Ų | 129.8 | 72% | 0.715 | 80% | 0.801 | S | S | * | * | trans | -74.2 | 157 | -172.1 | -60.2 | 161 | 114.1 | 0 | 0 | 116.9 | ||||
| 244 | F | 27 | Very low | 31.4 | Very low | 182 Ų | 182 | 132 Ų | 132 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | -176.5 | 173.7 | 104.2 | -124.6 | -103.8 | 0 | 0 | 0 | 116.5 | |||||
| 245 | Q | 30 | Very low | 31.3 | Very low | 148 Ų | 148 | 134.6 Ų | 134.6 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | trans | -75.5 | 130 | -158.4 | -177.6 | 177.8 | 51.3 | 0 | 0 | 120.8 | ||||
| 246 | M | 29.9 | Very low | 31.3 | Very low | 151 Ų | 151 | 136 Ų | 136 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | 36.7 | 153 | 127.6 | -148.1 | 162.9 | 66.7 | 0 | 0 | 125 | |||||
| 247 | Q | 32.1 | Very low | 31 | Very low | 167 Ų | 167 | 135.8 Ų | 135.8 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | trans | 85.5 | 153.4 | 167.9 | -53.5 | -168.7 | 25.1 | 0 | 0 | 116.6 | ||||
| 248 | S | 30.4 | Very low | 31.1 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | cis | -152.9 | -175.2 | -4 | 49.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 249 | E | 34.8 | Very low | 31.1 | Very low | 198 Ų | 198 | 141.9 Ų | 141.9 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | trans | -79.4 | 166.8 | 178.6 | -58.5 | -179.5 | 111.9 | 0 | 0 | 115.1 | ||||
| 250 | G | 27.3 | Very low | 31.1 | Very low | 77 Ų | 77 | 142.7 Ų | 142.7 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | -174.5 | 144 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 251 | T | 34.4 | Very low | 31.1 | Very low | 138 Ų | 138 | 146.7 Ų | 146.7 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | trans | -131.5 | 143.4 | -172.4 | -67.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 252 | C | 26.7 | Very low | 31.7 | Very low | 129 Ų | 129 | 146.8 Ų | 146.8 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | trans | -179.9 | 164.8 | 141 | -104 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 253 | Q | 39 | Very low | 31.7 | Very low | 176 Ų | 176 | 145.8 Ų | 145.8 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | -94.1 | 168.3 | 179 | -81.4 | -91.5 | 64.3 | 0 | 0 | 112.6 | ||||
| 254 | P | 42 | Very low | 33.3 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | -157.2 | 148.4 | 96.6 | 40.4 | -20.4 | 0 | 0 | 0 | 120.2 | |||||
| 255 | D | 31.2 | Very low | 34.3 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | 69.9 | 159.7 | 138.4 | -118.4 | -76.5 | 0 | 0 | 0 | 128.2 | ||||
| 256 | Q | 29.2 | Very low | 34.5 | Very low | 185 Ų | 185 | 137.9 Ų | 137.9 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | trans | 98.1 | 148.2 | 158.9 | -142.2 | 153.3 | 107.9 | 0 | 0 | 121.2 | ||||
| 257 | A | 27.6 | Very low | 34.8 | Very low | 89 Ų | 89 | 140 Ų | 140 | 74% | 0.736 | 82% | 0.815 | S | S | * | * | trans | -152 | 170 | -155.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 258 | Q | 34.7 | Very low | 34.9 | Very low | 200 Ų | 200 | 136.9 Ų | 136.9 | 94% | 0.935 | 82% | 0.818 | S | S | * | * | trans | -164 | 175 | 156.3 | -112.9 | 171 | 37.4 | 0 | 0 | 114.3 | ||||
| 259 | N | 28.7 | Very low | 34.9 | Very low | 158 Ų | 158 | 137 Ų | 137 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | -138.5 | 155.7 | -159.1 | -106.1 | -25.4 | 0 | 0 | 0 | 114.2 | ||||
| 260 | S | 29.9 | Very low | 34.7 | Very low | 120 Ų | 120 | 132 Ų | 132 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | 154.6 | 161.8 | 130.1 | 58.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 261 | N | 28.8 | Very low | 34.8 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | -104.1 | 173.3 | -177.2 | -62.8 | -55.5 | 0 | 0 | 0 | 113 | ||||
| 262 | P | 41.5 | Very low | 34.6 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | -146.1 | -168 | 101.5 | 38 | -20.7 | 0 | 0 | 0 | 115.5 | |||||
| 263 | T | 31.3 | Very low | 35.6 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -142.6 | -158 | -170.7 | -34.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 264 | P | 63.8 | Low | 35.2 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | -96.3 | -170.1 | -123.2 | 43.3 | -29.7 | 0 | 0 | 0 | 116.1 | |||||
| 265 | P | 47.9 | Very low | 34.7 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | -156.8 | 161.7 | 106.1 | 39.8 | -21.7 | 0 | 0 | 0 | 119.8 | |||||
| 266 | A | 33.4 | Very low | 34.7 | Very low | 86 Ų | 86 | 128 Ų | 128 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | 67.7 | 152.9 | 144.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 267 | K | 36 | Very low | 34.9 | Very low | 197 Ų | 197 | 124.7 Ų | 124.7 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | cis | -168.5 | 153.3 | -12.5 | -109.7 | 173.4 | -179.4 | 177.8 | 0 | 111.6 | ||||
| 268 | A | 34.3 | Very low | 35 | Very low | 101 Ų | 101 | 128.8 Ų | 128.8 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | 64.8 | 154.7 | 151.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 269 | S | 31.6 | Very low | 35 | Very low | 116 Ų | 116 | 123.6 Ų | 123.6 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | cis | -168.3 | 157 | -23.1 | -171.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 270 | A | 29.6 | Very low | 36.1 | Very low | 95 Ų | 95 | 120.8 Ų | 120.8 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | 69.7 | 161.9 | 156.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 271 | A | 30.3 | Very low | 36.2 | Very low | 79 Ų | 79 | 126.2 Ų | 126.2 | 65% | 0.653 | 77% | 0.772 | S | S | * | * | cis | -177 | 121.3 | -39.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 272 | F | 28.4 | Very low | 36.4 | Very low | 202 Ų | 202 | 124.6 Ų | 124.6 | 89% | 0.886 | 77% | 0.773 | S | S | * | * | trans | 58.8 | 175.3 | 153.1 | -71.2 | -60.2 | 0 | 0 | 0 | 120 | ||||
| 273 | P | 47.6 | Very low | 36 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | cis | -136.1 | 169.9 | -44.1 | 37.9 | -22.7 | 0 | 0 | 0 | 115.3 | ||||
| 274 | A | 31.1 | Very low | 36.5 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | 55.8 | 177.4 | 144.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 275 | D | 30.9 | Very low | 35.8 | Very low | 160 Ų | 160 | 128.5 Ų | 128.5 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | cis | -152.7 | 163.4 | -8.3 | -145 | -30.2 | 0 | 0 | 0 | 111.4 | ||||
| 276 | G | 32.7 | Very low | 35.2 | Very low | 65 Ų | 65 | 129 Ų | 129 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | trans | 69.4 | 162 | 161.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 277 | S | 33.5 | Very low | 35.2 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | cis | -157.8 | 152.9 | -12.9 | 57 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 278 | E | 28.7 | Very low | 35.1 | Very low | 175 Ų | 175 | 130.4 Ų | 130.4 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | 8.8 | 148.3 | 140.5 | -77.5 | -131.3 | 84.7 | 0 | 0 | 121.1 | ||||
| 279 | S | 34.2 | Very low | 35 | Very low | 92 Ų | 92 | 134.9 Ų | 134.9 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | cis | -171.9 | -148.2 | -2.9 | -148.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 280 | P | 53.4 | Low | 35 | Very low | 99 Ų | 99 | 137.8 Ų | 137.8 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | trans | -126.6 | -155.1 | -139.4 | 37.8 | -13.6 | 0 | 0 | 0 | 115.6 | ||||
| 281 | R | 32 | Very low | 35.3 | Very low | 233 Ų | 233 | 138.6 Ų | 138.6 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | trans | 90.2 | 148.8 | 171.5 | -52.5 | 168.6 | -172.3 | -160.2 | 2 | 114.6 | ||||
| 282 | S | 31.8 | Very low | 35.8 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | cis | -163.9 | 162.9 | -11.3 | 40 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 283 | R | 32.6 | Very low | 36.5 | Very low | 236 Ų | 236 | 136 Ų | 136 | 89% | 0.891 | 77% | 0.772 | S | S | * | * | trans | -72.9 | -179 | 163.4 | -78.8 | -177.4 | 172.9 | -178 | -0.8 | 111.7 | ||||
| 284 | P | 41.9 | Very low | 35.8 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | cis | -126.6 | -118.3 | -1.9 | 23.7 | 4.2 | 0 | 0 | 0 | 116.1 | ||||
| 285 | P | 49.1 | Very low | 36.2 | Very low | 98 Ų | 98 | 139.9 Ų | 139.9 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | -133.4 | 157.3 | -103.9 | 42.5 | -25.8 | 0 | 0 | 0 | 120.9 | |||||
| 286 | T | 36.1 | Very low | 37.1 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | 63.1 | 150.4 | 138.8 | 57.6 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 287 | L | 33.5 | Very low | 37.2 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | trans | 94 | 96.5 | 154.2 | -72.9 | 173.7 | 0 | 0 | 0 | 122.8 | ||||
| 288 | H | 33.1 | Very low | 37.9 | Very low | 159 Ų | 159 | 142.4 Ų | 142.4 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | 56.7 | 116.5 | 112 | -167.6 | 44.6 | 0 | 0 | 0 | 122.2 | |||||
| 289 | K | 32.1 | Very low | 38.5 | Very low | 195 Ų | 195 | 141.9 Ų | 141.9 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | -175.1 | 173 | 122.5 | -103.4 | 171.4 | -175.1 | -175.6 | 0 | 113.9 | |||||
| 290 | Q | 33.3 | Very low | 38.3 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | -126.3 | 145 | -174.7 | -176.1 | -172.4 | 10.5 | 0 | 0 | 111.1 | ||||
| 291 | P | 35.3 | Very low | 37.2 | Very low | 112 Ų | 112 | 149 Ų | 149 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -101.6 | 167 | 172.4 | 36.8 | -30.8 | 0 | 0 | 0 | 114.5 | ||||
| 292 | P | 41.3 | Very low | 37.6 | Very low | 134 Ų | 134 | 145.2 Ų | 145.2 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | trans | -108.3 | -172.5 | -161.1 | 42.2 | -36.2 | 0 | 0 | 0 | 115.9 | ||||
| 293 | A | 42.2 | Very low | 38.5 | Very low | 91 Ų | 91 | 145 Ų | 145 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -113.3 | 159.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 294 | L | 33.3 | Very low | 38.8 | Very low | 167 Ų | 167 | 140.2 Ų | 140.2 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | -142.5 | 166.2 | 178.2 | -77.5 | -178.6 | 0 | 0 | 0 | 112.1 | ||||
| 295 | P | 39.3 | Very low | 38.6 | Very low | 114 Ų | 114 | 142.4 Ų | 142.4 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | trans | -126.4 | -145.6 | -140.1 | 50.6 | -36.1 | 0 | 0 | 0 | 114.7 | ||||
| 296 | P | 48.9 | Very low | 38 | Very low | 106 Ų | 106 | 144.5 Ų | 144.5 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | -140.4 | 173.7 | -124.7 | 39.2 | -15 | 0 | 0 | 0 | 120.2 | |||||
| 297 | K | 35 | Very low | 38.1 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 67% | 0.674 | 77% | 0.771 | S | S | * | * | trans | 70.3 | 152.5 | 157 | -74.1 | 174.1 | 174.6 | -176.9 | 0 | 118.7 | F299 | K297-F299 HydrophobicContact CD-CD2 4.44Å; K297-F299 HydrophobicContact CD-CE2 3.79Å; K297-F299 HydrophobicContact CD-CZ 3.86Å | ||
| 298 | P | 47.8 | Very low | 38 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | -130.5 | -162 | 86.6 | 35.2 | -20.3 | 0 | 0 | 0 | 115 | |||||
| 299 | F | 42.3 | Very low | 38 | Very low | 165 Ų | 165 | 138.7 Ų | 138.7 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | trans | -131.1 | 163.4 | -159.2 | -70.4 | -101.7 | 0 | 0 | 0 | 115.6 | K297 | K297-F299 HydrophobicContact CD-CD2 4.44Å; K297-F299 HydrophobicContact CD-CE2 3.79Å; K297-F299 HydrophobicContact CD-CZ 3.86Å | ||
| 300 | S | 29.1 | Very low | 38 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | -168.4 | 154.3 | 134 | -81.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 301 | R | 32.1 | Very low | 39 | Very low | 230 Ų | 230 | 132.7 Ų | 132.7 | 87% | 0.868 | 76% | 0.756 | S | S | * | * | cis | -162.3 | 131.2 | -31.5 | 177 | -179.8 | -72.9 | -114.1 | 5.6 | 107.1 | ||||
| 302 | L | 39.4 | Very low | 39 | Very low | 153 Ų | 153 | 133.8 Ų | 133.8 | 80% | 0.801 | 76% | 0.761 | S | S | * | * | trans | -88.4 | 160.5 | 172.6 | -60.6 | 174.6 | 0 | 0 | 0 | 110.9 | ||||
| 303 | P | 51.7 | Low | 38.4 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | -144.2 | 173.7 | 90 | 31.1 | -11.9 | 0 | 0 | 0 | 113.5 | |||||
| 304 | N | 39 | Very low | 38.2 | Very low | 135 Ų | 135 | 139.7 Ų | 139.7 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | cis | -164 | 165.4 | -22.6 | -91.7 | -12.6 | 0 | 0 | 0 | 105 | ||||
| 305 | H | 37.2 | Very low | 38.5 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | cis | -166.9 | 141.6 | 44.6 | 40.8 | -70.8 | 0 | 0 | 0 | 113 | ||||
| 306 | I | 35.8 | Very low | 38.3 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 73% | 0.728 | 76% | 0.757 | S | S | * | * | trans | 56.1 | 104.6 | 136.3 | -60 | 168.1 | 0 | 0 | 0 | 117.4 | ||||
| 307 | T | 38.6 | Very low | 37.5 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 68% | 0.681 | 77% | 0.766 | S | S | * | * | cis | 81.1 | 153.3 | 50 | 78.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 308 | D | 31.7 | Very low | 37.7 | Very low | 155 Ų | 155 | 138.4 Ų | 138.4 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | cis | -150.5 | 179.9 | 24.4 | -97 | -61.4 | 0 | 0 | 0 | 111.6 | ||||
| 309 | G | 32 | Very low | 37.1 | Very low | 52 Ų | 52 | 137.1 Ų | 137.1 | 54% | 0.536 | 77% | 0.771 | S | S | . | * | cis | 171.4 | -1.7 | -0.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 310 | T | 32.3 | Very low | 36.7 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 87% | 0.865 | 78% | 0.779 | S | S | * | * | trans | 65.7 | -170.1 | 179 | 75.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 311 | P | 54.6 | Low | 37 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 69% | 0.688 | 79% | 0.786 | S | S | * | * | cis | -139.3 | -179.8 | -8.5 | 40.3 | -20 | 0 | 0 | 0 | 117.8 | ||||
| 312 | V | 34.4 | Very low | 37.5 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | 65.1 | 125.9 | 160.7 | -161.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 313 | K | 29.7 | Very low | 38 | Very low | 189 Ų | 189 | 134.6 Ų | 134.6 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | 152.2 | 126.1 | 116.4 | -161.8 | 165.3 | -172.9 | 176.4 | 0 | 112.9 | |||||
| 314 | L | 37 | Very low | 37.9 | Very low | 160 Ų | 160 | 135.3 Ų | 135.3 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -92.8 | 141.8 | 164.5 | -77.6 | 172.4 | 0 | 0 | 0 | 110.1 | ||||
| 315 | P | 41 | Very low | 38.3 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | -114.3 | 159.5 | 127 | -9.9 | 29.1 | 0 | 0 | 0 | 112.3 | |||||
| 316 | C | 33.8 | Very low | 39.1 | Very low | 110 Ų | 110 | 134 Ų | 134 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | -88.3 | 150.1 | 170.2 | -51.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 317 | M | 33.3 | Very low | 39.9 | Very low | 177 Ų | 177 | 133.5 Ų | 133.5 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | trans | -171.9 | 160.2 | 133.5 | -105.4 | -56.2 | 109.4 | 0 | 0 | 113.4 | ||||
| 318 | S | 39.9 | Very low | 39.8 | Very low | 111 Ų | 111 | 137.6 Ų | 137.6 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -75.7 | 137.4 | -173.8 | -47.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 319 | A | 35 | Very low | 40.2 | Very low | 104 Ų | 104 | 139.9 Ų | 139.9 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -152.9 | 151.5 | 160 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 320 | K | 33 | Very low | 40.6 | Very low | 202 Ų | 202 | 145.3 Ų | 145.3 | 88% | 0.878 | 82% | 0.819 | S | S | * | * | trans | -82.4 | 144.4 | -179.1 | -64.6 | 155.2 | 178.5 | 170.8 | 0 | 110.4 | ||||
| 321 | L | 35.8 | Very low | 40.8 | Very low | 179 Ų | 179 | 146.6 Ų | 146.6 | 94% | 0.937 | 82% | 0.82 | S | S | * | * | trans | -81.1 | 118.7 | 171.2 | -65.8 | 176.4 | 0 | 0 | 0 | 110.5 | ||||
| 322 | S | 41.3 | Very low | 40 | Very low | 105 Ų | 105 | 149.4 Ų | 149.4 | 73% | 0.734 | 83% | 0.828 | S | S | * | * | trans | -144.8 | 129.8 | 164.7 | -66.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 323 | P | 50.3 | Low | 39.8 | Very low | 120 Ų | 120 | 148.1 Ų | 148.1 | 78% | 0.779 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 148.5 | 173.1 | -18.5 | 32.2 | 0 | 0 | 0 | 111.5 | ||
| 324 | P | 49.6 | Very low | 40.1 | Very low | 127 Ų | 127 | 145.8 Ų | 145.8 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 145.4 | 176 | 30.1 | -34.6 | 0 | 0 | 0 | 111.9 | ||
| 325 | L | 48.8 | Very low | 40.8 | Very low | 163 Ų | 163 | 144 Ų | 144 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 147.7 | 171.8 | -69.9 | 170.2 | 0 | 0 | 0 | 110.9 | ||
| 326 | P | 53.5 | Low | 40.6 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 69% | 0.688 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 151.1 | 172.6 | 30.9 | -35 | 0 | 0 | 0 | 111.9 | ||
| 327 | P | 52.1 | Low | 40.5 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 86% | 0.857 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 132.2 | -177.6 | 28.8 | -34.5 | 0 | 0 | 0 | 112.6 | ||
| 328 | K | 37.4 | Very low | 40.3 | Very low | 198 Ų | 198 | 139.1 Ų | 139.1 | 86% | 0.861 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 117.7 | 172.8 | -61.8 | 178.5 | 179.8 | -179.5 | 0 | 110.9 | ||
| 329 | K | 40 | Very low | 40.2 | Very low | 202 Ų | 202 | 142 Ų | 142 | 88% | 0.878 | 83% | 0.834 | S | S | * | * | trans | -153.2 | 88.7 | 153.7 | -78 | -155.4 | 178.9 | -173.5 | 0 | 112.2 | ||||
| 330 | L | 38.7 | Very low | 40.3 | Very low | 166 Ų | 166 | 144 Ų | 144 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | trans | -142.2 | 121.5 | 141.8 | -77.5 | -175.8 | 0 | 0 | 0 | 107 | ||||
| 331 | L | 38.3 | Very low | 41.1 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 89% | 0.885 | 82% | 0.817 | S | S | * | * | trans | -110.8 | 131.2 | 165 | -72.4 | 169.9 | 0 | 0 | 0 | 106 | ||||
| 332 | I | 36.5 | Very low | 41.2 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -113.1 | 119.8 | 170.8 | -63 | 176.9 | 0 | 0 | 0 | 105.9 | ||||
| 333 | S | 31.7 | Very low | 41.9 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | -119.7 | 139.5 | 179.1 | -62 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 334 | V | 35.8 | Very low | 41.2 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | -78.5 | 145.7 | -179.1 | 177.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 335 | P | 52 | Low | 40.3 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | trans | -90.4 | 145.6 | -168.3 | 34.5 | -36.1 | 0 | 0 | 0 | 114.9 | ||||
| 336 | A | 36.2 | Very low | 39.6 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | trans | -163.4 | 146.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 337 | G | 31.7 | Very low | 38.8 | Very low | 76 Ų | 76 | 138.3 Ų | 138.3 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | trans | 96.4 | 78.9 | 147.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 338 | C | 29.6 | Very low | 37.7 | Very low | 122 Ų | 122 | 140.2 Ų | 140.2 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | 63.4 | 150.5 | 132.4 | -142.1 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 339 | L | 36.3 | Very low | 37.6 | Very low | 170 Ų | 170 | 136 Ų | 136 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | 85.5 | 138.3 | 166 | -53.3 | -179.1 | 0 | 0 | 0 | 120.3 | ||||
| 340 | E | 36.8 | Very low | 37.9 | Very low | 146 Ų | 146 | 132.7 Ų | 132.7 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | trans | -110 | 173.2 | 178.1 | -135.6 | -117.5 | 131.2 | 0 | 0 | 107.9 | S342 | E340-S342 WeakPolarHBondContact OE1-CB 3.44Å; E340-S342 PolarHBondContact OE1-N 3.32Å; E340-S342 PolarHBondContact OE1-OG 3.38Å | ||
| 341 | P | 50.6 | Low | 37.4 | Very low | 107 Ų | 107 | 128 Ų | 128 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | cis | -126.5 | 157.4 | 15.4 | 10.4 | 16.9 | 0 | 0 | 0 | 119.7 | ||||
| 342 | S | 37.7 | Very low | 38.5 | Very low | 92 Ų | 92 | 126 Ų | 126 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | 20 | 162.5 | 126.6 | -70.2 | 0 | 0 | 0 | 0 | 123.5 | E340 | E340-S342 WeakPolarHBondContact OE1-CB 3.44Å; E340-S342 PolarHBondContact OE1-N 3.32Å; E340-S342 PolarHBondContact OE1-OG 3.38Å | |||
| 343 | P | 57 | Low | 39.4 | Very low | 109 Ų | 109 | 122.7 Ų | 122.7 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | cis | -143.9 | -152 | -24.7 | 38 | -15.2 | 0 | 0 | 0 | 114.2 | ||||
| 344 | L | 34.5 | Very low | 39.7 | Very low | 161 Ų | 161 | 121.6 Ų | 121.6 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | trans | 87.5 | 140.7 | 170.1 | -54.3 | -178.3 | 0 | 0 | 0 | 117 | ||||
| 345 | A | 31.8 | Very low | 39.8 | Very low | 78 Ų | 78 | 122.6 Ų | 122.6 | 65% | 0.645 | 75% | 0.749 | S | S | * | * | cis | -160.2 | 161.6 | -5.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 346 | F | 33.3 | Very low | 39.2 | Very low | 186 Ų | 186 | 123.3 Ų | 123.3 | 82% | 0.816 | 75% | 0.751 | S | S | * | * | trans | 9 | 153.5 | 151.1 | -60.2 | -69.8 | 0 | 0 | 0 | 121.3 | ||||
| 347 | Q | 36.4 | Very low | 39.2 | Very low | 151 Ų | 151 | 121.7 Ų | 121.7 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | cis | -167.3 | 177.1 | 16.5 | -126.3 | 173.4 | 121.4 | 0 | 0 | 107.2 | ||||
| 348 | K | 29 | Very low | 39.6 | Very low | 171 Ų | 171 | 127.3 Ų | 127.3 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | cis | -164.3 | 168.8 | 0.1 | -174.9 | 130.2 | 172.1 | 178.8 | 0 | 109.3 | ||||
| 349 | C | 36.8 | Very low | 39.8 | Very low | 111 Ų | 111 | 125.3 Ų | 125.3 | 75% | 0.75 | 75% | 0.753 | S | S | * | * | trans | -116.3 | 168.6 | 165.2 | -54 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 350 | P | 45.6 | Very low | 39.6 | Very low | 132 Ų | 132 | 120 Ų | 120 | 86% | 0.857 | 74% | 0.739 | S | S | * | * | -149.7 | 166.5 | 103.7 | 38.7 | -22.2 | 0 | 0 | 0 | 116.9 | |||||
| 351 | G | 27.1 | Very low | 39.5 | Very low | 67 Ų | 67 | 122.4 Ų | 122.4 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | trans | -112.9 | -132.9 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 352 | P | 61.6 | Low | 38.7 | Very low | 126 Ų | 126 | 122.6 Ų | 122.6 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | cis | -118.3 | -110.1 | -13.2 | 20.5 | 6.9 | 0 | 0 | 0 | 109.3 | ||||
| 353 | P | 56.4 | Low | 38.5 | Very low | 97 Ų | 97 | 125.7 Ų | 125.7 | 63% | 0.63 | 76% | 0.762 | S | S | * | * | cis | -138.4 | 163.8 | -35.7 | 42.8 | -25.6 | 0 | 0 | 0 | 118 | ||||
| 354 | S | 37.7 | Very low | 37.6 | Very low | 85 Ų | 85 | 129.2 Ų | 129.2 | 59% | 0.594 | 77% | 0.769 | S | S | * | * | trans | 62.1 | 157.5 | 138.7 | 61.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 355 | H | 38.6 | Very low | 37.5 | Very low | 161 Ų | 161 | 132.8 Ų | 132.8 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | cis | -146.2 | 142.8 | 25.3 | -73.4 | -93.7 | 0 | 0 | 0 | 116.9 | ||||
| 356 | T | 38.6 | Very low | 37.7 | Very low | 136 Ų | 136 | 132.9 Ų | 132.9 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | 22.6 | 150.5 | 142.2 | 57.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 357 | G | 36.1 | Very low | 37.9 | Very low | 71 Ų | 71 | 127.6 Ų | 127.6 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | cis | 176.3 | -173.7 | 8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 358 | M | 40.5 | Very low | 38.2 | Very low | 194 Ų | 194 | 128.3 Ų | 128.3 | 96% | 0.956 | 79% | 0.788 | S | S | * | * | cis | -149.3 | -176.3 | 4.6 | -81.1 | 147 | 59.4 | 0 | 0 | 106.9 | ||||
| 359 | G | 32.8 | Very low | 38.8 | Very low | 80 Ų | 80 | 126 Ų | 126 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | cis | 124.4 | 129.6 | 7.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 360 | G | 32 | Very low | 39.2 | Very low | 58 Ų | 58 | 127 Ų | 127 | 60% | 0.598 | 79% | 0.793 | S | S | * | * | cis | -173.9 | -141.7 | 7.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 361 | H | 35.6 | Very low | 38.7 | Very low | 197 Ų | 197 | 126.1 Ų | 126.1 | 91% | 0.912 | 79% | 0.789 | S | S | * | * | trans | 61.9 | 130.3 | 178.7 | 54 | -117.9 | 0 | 0 | 0 | 119.7 | ||||
| 362 | S | 33.4 | Very low | 39.6 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | cis | -161.6 | 172.7 | -8.6 | -161.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 363 | L | 34.3 | Very low | 38.8 | Very low | 157 Ų | 157 | 132.5 Ų | 132.5 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | 75.4 | 59.5 | 165.8 | -60.8 | -177.1 | 0 | 0 | 0 | 122.1 | ||||
| 364 | Q | 37.2 | Very low | 38.7 | Very low | 182 Ų | 182 | 132.5 Ų | 132.5 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | 41.7 | 104.1 | 114.2 | -169.7 | 164.7 | 84.2 | 0 | 0 | 121.8 | |||||
| 365 | Y | 33.3 | Very low | 39.8 | Very low | 236 Ų | 236 | 132.3 Ų | 132.3 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | -142.9 | 159.1 | 122.8 | -124.4 | -92.3 | 0 | 0 | 0 | 109 | |||||
| 366 | G | 35.8 | Very low | 41.4 | Very low | 81 Ų | 81 | 127.2 Ų | 127.2 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | trans | -75.8 | 126.7 | -157.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 367 | G | 36.2 | Very low | 43.1 | Very low | 74 Ų | 74 | 130.4 Ų | 130.4 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | trans | -141.9 | 141.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 368 | L | 42.6 | Very low | 45.1 | Very low | 167 Ų | 167 | 132.6 Ų | 132.6 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | trans | -86.8 | 138.8 | 178.1 | -72.5 | 170.2 | 0 | 0 | 0 | 111 | V370 | L368-V370 PolarHBondContact O-N 3.1Å; L368-V370 VanDerWaalsContact O-N 3.13Å | ||
| 369 | P | 42.8 | Very low | 46.9 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | trans | -77.8 | 101.3 | -177.4 | 30.8 | -34.1 | 0 | 0 | 0 | 111.6 | S371 | P369-S371 PolarHBondContact O-N 2.91Š| ||
| 370 | V | 44.1 | Very low | 49.2 | Very low | 133 Ų | 133 | 129.2 Ų | 129.2 | 81% | 0.806 | 73% | 0.726 | S | S | * | * | trans | -76.1 | 116.9 | 162.7 | 178.1 | 0 | 0 | 0 | 0 | 108.2 | L368 L372 | L368-V370 PolarHBondContact O-N 3.1Å; L368-V370 VanDerWaalsContact O-N 3.13Å; V370-L372 PolarHBondContact O-N 3.06Å | ||
| 371 | S | 36.2 | Very low | 51.7 | Low | 112 Ų | 112 | 132.9 Ų | 132.9 | 78% | 0.783 | 73% | 0.728 | S | S | * | * | trans | -60.6 | 118.7 | 172.9 | -66.5 | 0 | 0 | 0 | 0 | 110.5 | P369 H373 | P369-S371 PolarHBondContact O-N 2.91Å; S371-H373 VanDerWaalsContact C-N 3.26Å; S371-H373 PolarHBondContact O-N 2.98Å | ||
| 372 | L | 45.8 | Very low | 53.9 | Low | 173 Ų | 173 | 128.7 Ų | 128.7 | 91% | 0.906 | 71% | 0.712 | S | S | * | * | trans | -66.3 | 83.8 | 170.9 | -80.4 | 158.5 | 0 | 0 | 0 | 110.2 | V370 | V370-L372 PolarHBondContact O-N 3.06Š| ||
| 373 | H | 45 | Very low | 56.3 | Low | 155 Ų | 155 | 128.1 Ų | 128.1 | 72% | 0.718 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 126.2 | 158.5 | -172.8 | -69.3 | 0 | 0 | 0 | 107.2 | S371 | S371-H373 VanDerWaalsContact C-N 3.26Å; S371-H373 PolarHBondContact O-N 2.98Å |
| 374 | P | 54.8 | Low | 58.9 | Low | 97 Ų | 97 | 127.2 Ų | 127.2 | 63% | 0.63 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 135.1 | 175.8 | -24.9 | 33.9 | 0 | 0 | 0 | 109.5 | S376 | P374-S376 PolarHBondContact O-N 2.91Š|
| 375 | P | 60.2 | Low | 61.3 | Low | 80 Ų | 80 | 122.4 Ų | 122.4 | 52% | 0.519 | 67% | 0.672 | S | S | . | * | P | Polyproline II helix | trans | -54.7 | 133.7 | 175.9 | 24.1 | -33 | 0 | 0 | 0 | 108.4 | R377 I379 | P375-R377 PolarHBondContact O-N 3.06Å; P375-I379 HydrophobicContact CB-CG2 4.48Å |
| 376 | S | 72.9 | Confident | 63.8 | Low | 54 Ų | 54 | 116 Ų | 116 | 38% | 0.378 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -52.9 | 139.1 | 173.2 | 172.5 | 0 | 0 | 0 | 0 | 108.3 | P374 I378 I379 E380 | P374-S376 PolarHBondContact O-N 2.91Å; S376-I378 CarbonylContact O-C 3.6Å; S376-I378 PolarHBondContact O-N 3.02Å; S376-I378 PolarHBondContact OG-N 2.99Å; S376-I379 WeakPolarHBondContact O-CA 3.35Å; S376-I379 WeakPolarHBondContact O-CB 3.17Å; S376-I379 PolarHBondContact O-N 2.95Å; S376-E380 PolarHBondContact O-N 3.01Å |
| 377 | R | 74.3 | Confident | 66.3 | Low | 204 Ų | 204 | 114.9 Ų | 114.9 | 77% | 0.77 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -51.3 | -28.3 | 177 | -71.9 | -178 | 176.3 | -124.3 | 0 | 112.4 | P375 E380 E381 | P375-R377 PolarHBondContact O-N 3.06Å; R377-E380 PolarHBondContact O-N 3.27Å; R377-E381 WeakPolarHBondContact O-CB 3.4Å; R377-E381 WeakPolarHBondContact O-CG 3.36Å; R377-E381 PolarHBondContact O-N 3.04Å |
| 378 | I | 76.5 | Confident | 68.6 | Low | 117 Ų | 117 | 116 Ų | 116 | 60% | 0.6 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.7 | -42.1 | 173.9 | -54.7 | 173.6 | 0 | 0 | 0 | 111.5 | S376 L382 | S376-I378 CarbonylContact O-C 3.6Å; S376-I378 PolarHBondContact O-N 3.02Å; S376-I378 PolarHBondContact OG-N 2.99Å; I378-L382 HydrophobicContact CG2-CD1 4.05Å; I378-L382 VanDerWaalsContact O-CB 3.25Å; I378-L382 WeakPolarHBondContact O-CB 3.45Å; I378-L382 WeakPolarHBondContact O-CD1 3.46Å; I378-L382 WeakPolarHBondContact O-CG 3.22Å; I378-L382 PolarHBondContact O-N 3.24Å |
| 379 | I | 79.9 | Confident | 70.5 | Confident | 88 Ų | 88 | 111.9 Ų | 111.9 | 45% | 0.451 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -70 | -39.4 | 176 | -60 | 170.4 | 0 | 0 | 0 | 110.1 | P375 S376 L382 N383 | P375-I379 HydrophobicContact CB-CG2 4.48Å; S376-I379 WeakPolarHBondContact O-CA 3.35Å; S376-I379 WeakPolarHBondContact O-CB 3.17Å; S376-I379 PolarHBondContact O-N 2.95Å; I379-L382 PolarHBondContact O-N 3.14Å; I379-N383 WeakPolarHBondContact O-CB 3.34Å; I379-N383 VanDerWaalsContact O-CG 3.23Å; I379-N383 PolarHBondContact O-N 3.35Å |
| 380 | E | 81 | Confident | 72.3 | Confident | 115 Ų | 115 | 111.1 Ų | 111.1 | 54% | 0.537 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65 | -45.5 | 176.3 | -170 | 175.7 | -159.2 | 0 | 0 | 111.8 | S376 R377 N383 K384 | S376-E380 PolarHBondContact O-N 3.01Å; R377-E380 PolarHBondContact O-N 3.27Å; E380-N383 PolarHBondContact O-N 3.07Å; E380-K384 VanDerWaalsContact O-CB 3.26Å; E380-K384 WeakPolarHBondContact O-CB 3.01Å; E380-K384 PolarHBondContact O-N 3.48Å |
| 381 | E | 83.8 | Confident | 74.1 | Confident | 135 Ų | 135 | 110.4 Ų | 110.4 | 63% | 0.631 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.1 | -34.3 | 173.5 | -72.8 | -155.7 | 137.1 | 0 | 0 | 112.8 | R377 K384 T385 | R377-E381 WeakPolarHBondContact O-CB 3.4Å; R377-E381 WeakPolarHBondContact O-CG 3.36Å; R377-E381 PolarHBondContact O-N 3.04Å; E381-K384 PolarHBondContact O-N 2.92Å; E381-T385 VanDerWaalsContact O-CB 3.22Å; E381-T385 WeakPolarHBondContact O-CB 3.47Å; E381-T385 PolarHBondContact O-N 2.86Å; E381-T385 PolarHBondContact O-OG1 3.45Å |
| 382 | L | 82.4 | Confident | 76 | Confident | 109 Ų | 109 | 114.4 Ų | 114.4 | 57% | 0.571 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66 | -43.8 | 173.1 | -77.8 | 169.1 | 0 | 0 | 0 | 111.6 | I378 I379 T385 L386 | I378-L382 HydrophobicContact CG2-CD1 4.05Å; I378-L382 VanDerWaalsContact O-CB 3.25Å; I378-L382 WeakPolarHBondContact O-CB 3.45Å; I378-L382 WeakPolarHBondContact O-CD1 3.46Å; I378-L382 WeakPolarHBondContact O-CG 3.22Å; I378-L382 PolarHBondContact O-N 3.24Å; I379-L382 PolarHBondContact O-N 3.14Å; L382-T385 PolarHBondContact O-N 3.38Å; L382-L386 VanDerWaalsContact O-CB 3.3Å; L382-L386 WeakPolarHBondContact O-CB 3.21Å; L382-L386 PolarHBondContact O-N 3.47Å |
| 383 | N | 83.8 | Confident | 77.2 | Confident | 99 Ų | 99 | 114 Ų | 114 | 53% | 0.529 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.6 | -40.1 | 175.7 | -73 | -7.2 | 0 | 0 | 0 | 111.4 | I379 E380 L386 A387 | I379-N383 WeakPolarHBondContact O-CB 3.34Å; I379-N383 VanDerWaalsContact O-CG 3.23Å; I379-N383 PolarHBondContact O-N 3.35Å; E380-N383 PolarHBondContact O-N 3.07Å; N383-L386 PolarHBondContact O-N 3.15Å; N383-A387 WeakPolarHBondContact O-CB 3.48Å; N383-A387 PolarHBondContact O-N 3.33Å |
| 384 | K | 88.5 | Confident | 78.3 | Confident | 139 Ų | 139 | 111.3 Ų | 111.3 | 60% | 0.604 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.7 | -40.3 | 173.7 | -173.8 | 177.2 | -179.4 | 179.6 | 0 | 112 | E380 E381 L388 | E380-K384 VanDerWaalsContact O-CB 3.26Å; E380-K384 WeakPolarHBondContact O-CB 3.01Å; E380-K384 PolarHBondContact O-N 3.48Å; E381-K384 PolarHBondContact O-N 2.92Å; K384-L388 HydrophobicContact CG-CD1 4.2Å; K384-L388 WeakPolarHBondContact O-CB 3.21Å; K384-L388 VanDerWaalsContact O-CG 3.28Å; K384-L388 WeakPolarHBondContact O-CG 3.38Å; K384-L388 PolarHBondContact O-N 2.81Å |
| 385 | T | 88 | Confident | 78.7 | Confident | 80 Ų | 80 | 110.1 Ų | 110.1 | 49% | 0.491 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.3 | -40.5 | 175.8 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | E381 L382 T389 | E381-T385 VanDerWaalsContact O-CB 3.22Å; E381-T385 WeakPolarHBondContact O-CB 3.47Å; E381-T385 PolarHBondContact O-N 2.86Å; E381-T385 PolarHBondContact O-OG1 3.45Å; L382-T385 PolarHBondContact O-N 3.38Å; T385-T389 VanDerWaalsContact O-CB 3.29Å; T385-T389 WeakPolarHBondContact O-CB 3.5Å; T385-T389 PolarHBondContact O-N 2.83Å; T385-T389 PolarHBondContact O-OG1 2.76Å |
| 386 | L | 86 | Confident | 78.4 | Confident | 101 Ų | 101 | 110.4 Ų | 110.4 | 53% | 0.529 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.5 | -47.8 | 174.6 | 179.5 | 61 | 0 | 0 | 0 | 111.2 | L382 N383 L388 T389 M390 | L382-L386 VanDerWaalsContact O-CB 3.3Å; L382-L386 WeakPolarHBondContact O-CB 3.21Å; L382-L386 PolarHBondContact O-N 3.47Å; N383-L386 PolarHBondContact O-N 3.15Å; L386-L388 PolarHBondContact O-N 2.95Å; L386-T389 CarbonylContact O-C 3.59Å; L386-T389 WeakPolarHBondContact O-CB 3.24Å; L386-T389 PolarHBondContact O-N 2.72Å; L386-T389 VanDerWaalsContact O-N 3.08Å; L386-M390 HydrophobicContact CD1-CG 4.43Å; L386-M390 PolarHBondContact O-N 3.02Å |
| 387 | A | 87.9 | Confident | 77.2 | Confident | 58 Ų | 58 | 114.4 Ų | 114.4 | 48% | 0.479 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59.8 | -46.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N383 T389 M390 Q391 | N383-A387 WeakPolarHBondContact O-CB 3.48Å; N383-A387 PolarHBondContact O-N 3.33Å; A387-T389 VanDerWaalsContact C-N 3.25Å; A387-T389 PolarHBondContact O-N 2.86Å; A387-M390 PolarHBondContact O-N 2.75Å; A387-Q391 VanDerWaalsContact O-CB 3.28Å; A387-Q391 WeakPolarHBondContact O-CB 3.48Å; A387-Q391 PolarHBondContact O-N 3.2Å |
| 388 | L | 83.5 | Confident | 76 | Confident | 98 Ų | 98 | 111.2 Ų | 111.2 | 51% | 0.513 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.8 | -29.7 | 174.1 | -73.6 | 168.3 | 0 | 0 | 0 | 112.8 | K384 L386 R392 | K384-L388 HydrophobicContact CG-CD1 4.2Å; K384-L388 WeakPolarHBondContact O-CB 3.21Å; K384-L388 VanDerWaalsContact O-CG 3.28Å; K384-L388 WeakPolarHBondContact O-CG 3.38Å; K384-L388 PolarHBondContact O-N 2.81Å; L386-L388 PolarHBondContact O-N 2.95Å; L388-R392 WeakPolarHBondContact O-CB 3.47Å; L388-R392 PolarHBondContact O-N 3.32Å; L388-R392 VanDerWaalsContact O-N 3.09Å |
| 389 | T | 83.4 | Confident | 74.7 | Confident | 81 Ų | 81 | 113.4 Ų | 113.4 | 50% | 0.497 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -75.8 | -41.4 | 176.8 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | T385 L386 A387 R392 F393 | T385-T389 VanDerWaalsContact O-CB 3.29Å; T385-T389 WeakPolarHBondContact O-CB 3.5Å; T385-T389 PolarHBondContact O-N 2.83Å; T385-T389 PolarHBondContact O-OG1 2.76Å; L386-T389 CarbonylContact O-C 3.59Å; L386-T389 WeakPolarHBondContact O-CB 3.24Å; L386-T389 PolarHBondContact O-N 2.72Å; L386-T389 VanDerWaalsContact O-N 3.08Å; A387-T389 VanDerWaalsContact C-N 3.25Å; A387-T389 PolarHBondContact O-N 2.86Å; T389-R392 PolarHBondContact O-N 2.88Å; T389-F393 WeakPolarHBondContact O-CB 3.49Å; T389-F393 PolarHBondContact O-N 3.03Å |
| 390 | M | 81 | Confident | 72.7 | Confident | 105 Ų | 105 | 115 Ų | 115 | 52% | 0.517 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.1 | -47.6 | 173.6 | -72.3 | -160.5 | 64.7 | 0 | 0 | 111.6 | L386 A387 R392 F393 E394 | L386-M390 HydrophobicContact CD1-CG 4.43Å; L386-M390 PolarHBondContact O-N 3.02Å; A387-M390 PolarHBondContact O-N 2.75Å; M390-R392 PolarHBondContact O-N 3.39Å; M390-F393 CarbonylContact O-C 3.57Å; M390-F393 WeakPolarHBondContact O-CA 3.5Å; M390-F393 WeakPolarHBondContact O-CB 3.45Å; M390-F393 PolarHBondContact O-N 3.37Å; M390-E394 WeakPolarHBondContact O-CG 3.28Å; M390-E394 PolarHBondContact O-N 2.99Å |
| 391 | Q | 80.8 | Confident | 70.6 | Confident | 118 Ų | 118 | 115.6 Ų | 115.6 | 55% | 0.551 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -58.5 | -33.5 | 175.3 | -170.2 | 178 | 33.1 | 0 | 0 | 112.2 | A387 S395 | A387-Q391 VanDerWaalsContact O-CB 3.28Å; A387-Q391 WeakPolarHBondContact O-CB 3.48Å; A387-Q391 PolarHBondContact O-N 3.2Å; Q391-S395 WeakPolarHBondContact O-CB 3.1Å; Q391-S395 PolarHBondContact O-N 2.92Å; Q391-S395 PolarHBondContact O-OG 2.78Å |
| 392 | R | 77.3 | Confident | 68.6 | Low | 196 Ų | 196 | 114.6 Ų | 114.6 | 74% | 0.74 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -73.5 | -31 | 173 | -166.3 | 177.9 | -154.9 | 161 | 9.1 | 113.2 | L388 T389 M390 S395 S396 | L388-R392 WeakPolarHBondContact O-CB 3.47Å; L388-R392 PolarHBondContact O-N 3.32Å; L388-R392 VanDerWaalsContact O-N 3.09Å; T389-R392 PolarHBondContact O-N 2.88Å; M390-R392 PolarHBondContact O-N 3.39Å; R392-S395 WeakPolarHBondContact CA-OG 3.48Å; R392-S395 PolarHBondContact O-OG 3.03Å; R392-S396 WeakPolarHBondContact O-CB 3.31Å; R392-S396 PolarHBondContact O-N 2.89Å |
| 393 | F | 70.3 | Confident | 66.3 | Low | 165 Ų | 165 | 114.2 Ų | 114.2 | 72% | 0.724 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -72.1 | -45.7 | 174.8 | -152.7 | -92.9 | 0 | 0 | 0 | 110.6 | T389 M390 S396 M397 | T389-F393 WeakPolarHBondContact O-CB 3.49Å; T389-F393 PolarHBondContact O-N 3.03Å; M390-F393 CarbonylContact O-C 3.57Å; M390-F393 WeakPolarHBondContact O-CA 3.5Å; M390-F393 WeakPolarHBondContact O-CB 3.45Å; M390-F393 PolarHBondContact O-N 3.37Å; F393-S396 CarbonylContact O-C 3.55Å; F393-S396 PolarHBondContact O-N 3.48Å; F393-M397 PolarHBondContact O-N 2.87Å |
| 394 | E | 68.3 | Low | 64.1 | Low | 98 Ų | 98 | 117.8 Ų | 117.8 | 46% | 0.458 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -61.3 | -48.2 | 175.1 | -69.5 | 159.1 | -171.6 | 0 | 0 | 111.6 | M390 S396 M397 | M390-E394 WeakPolarHBondContact O-CG 3.28Å; M390-E394 PolarHBondContact O-N 2.99Å; E394-S396 VanDerWaalsContact C-N 3.28Å; E394-S396 PolarHBondContact O-N 3.26Å; E394-M397 WeakPolarHBondContact O-CB 3.13Å; E394-M397 PolarHBondContact O-N 3.47Å; E394-M397 VanDerWaalsContact O-N 3.12Å |
| 395 | S | 63 | Low | 62 | Low | 73 Ų | 73 | 119.1 Ų | 119.1 | 51% | 0.51 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -68.7 | -24.2 | 175.3 | 52 | 0 | 0 | 0 | 0 | 113.8 | Q391 R392 | Q391-S395 WeakPolarHBondContact O-CB 3.1Å; Q391-S395 PolarHBondContact O-N 2.92Å; Q391-S395 PolarHBondContact O-OG 2.78Å; R392-S395 WeakPolarHBondContact CA-OG 3.48Å; R392-S395 PolarHBondContact O-OG 3.03Å |
| 396 | S | 53.2 | Low | 59.7 | Low | 85 Ų | 85 | 122.9 Ų | 122.9 | 59% | 0.594 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -79.5 | -17.3 | 171 | -170.7 | 0 | 0 | 0 | 0 | 113.6 | R392 F393 E394 | R392-S396 WeakPolarHBondContact O-CB 3.31Å; R392-S396 PolarHBondContact O-N 2.89Å; F393-S396 CarbonylContact O-C 3.55Å; F393-S396 PolarHBondContact O-N 3.48Å; E394-S396 VanDerWaalsContact C-N 3.28Å; E394-S396 PolarHBondContact O-N 3.26Å |
| 397 | M | 48.1 | Very low | 57.5 | Low | 138 Ų | 138 | 126 Ų | 126 | 68% | 0.68 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -74.5 | -27.6 | 178.4 | -177.2 | 173 | 170.1 | 0 | 0 | 112.1 | F393 E394 H399 | F393-M397 PolarHBondContact O-N 2.87Å; E394-M397 WeakPolarHBondContact O-CB 3.13Å; E394-M397 PolarHBondContact O-N 3.47Å; E394-M397 VanDerWaalsContact O-N 3.12Å; M397-H399 PolarHBondContact O-N 3.32Å |
| 398 | M | 48.8 | Very low | 55.2 | Low | 137 Ų | 137 | 128.8 Ų | 128.8 | 68% | 0.675 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 4.2 | -173.3 | -48.5 | -52.2 | 170.7 | 0 | 0 | 114.6 | ||
| 399 | H | 49.4 | Very low | 53 | Low | 164 Ų | 164 | 131.5 Ų | 131.5 | 76% | 0.759 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.8 | 43.8 | -177.6 | -73 | 81.7 | 0 | 0 | 0 | 112.2 | M397 | M397-H399 PolarHBondContact O-N 3.32Š|
| 400 | T | 38.6 | Very low | 51.3 | Low | 122 Ų | 122 | 135.3 Ų | 135.3 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -152.4 | 146.5 | 162.4 | -76.5 | 0 | 0 | 0 | 0 | 109.7 | ||
| 401 | V | 37 | Very low | 49.4 | Very low | 127 Ų | 127 | 137.1 Ų | 137.1 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | trans | -49.7 | 142.7 | -174.2 | -176.8 | 0 | 0 | 0 | 0 | 112.7 | A403 | V401-A403 PolarHBondContact O-N 2.99Š| ||
| 402 | P | 41.3 | Very low | 47.8 | Very low | 113 Ų | 113 | 139 Ų | 139 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | trans | -59.1 | 125.6 | -179.1 | -24.6 | 34.6 | 0 | 0 | 0 | 113.6 | M404 | P402-M404 PolarHBondContact O-N 3.04Š| ||
| 403 | A | 34.3 | Very low | 46.5 | Very low | 102 Ų | 102 | 136.5 Ų | 136.5 | 84% | 0.843 | 73% | 0.732 | S | S | * | * | trans | -85.9 | 88.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | V401 | V401-A403 PolarHBondContact O-N 2.99Š| ||
| 404 | M | 38.5 | Very low | 44.8 | Very low | 174 Ų | 174 | 136.5 Ų | 136.5 | 86% | 0.857 | 74% | 0.739 | S | S | * | * | trans | -63.7 | 139.8 | 166.1 | -80.8 | -176.9 | 165.6 | 0 | 0 | 109.9 | P402 | P402-M404 PolarHBondContact O-N 3.04Š| ||
| 405 | M | 43.1 | Very low | 43.3 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | -74.2 | 127.8 | 170.2 | -59.3 | -165.7 | -56.4 | 0 | 0 | 108.3 | E407 | M405-E407 VanDerWaalsContact C-N 3.26Å; M405-E407 PolarHBondContact O-N 3.45Å | ||
| 406 | I | 39.9 | Very low | 42.4 | Very low | 159 Ų | 159 | 141.3 Ų | 141.3 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | trans | -80.7 | 85 | 169 | -59 | 173.8 | 0 | 0 | 0 | 106.8 | ||||
| 407 | E | 39.2 | Very low | 41.5 | Very low | 166 Ų | 166 | 144.6 Ų | 144.6 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -75.9 | 136.8 | 158.1 | -159.3 | 147.3 | -138.6 | 0 | 0 | 107 | M405 D409 | M405-E407 VanDerWaalsContact C-N 3.26Å; M405-E407 PolarHBondContact O-N 3.45Å; E407-D409 PolarHBondContact O-N 3.42Å | ||
| 408 | C | 39.6 | Very low | 40.9 | Very low | 117 Ų | 117 | 146.6 Ų | 146.6 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -96.2 | 99 | -169 | -61.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 409 | D | 38.9 | Very low | 40.2 | Very low | 156 Ų | 156 | 144.2 Ų | 144.2 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -115.5 | 128.1 | 161.6 | -82.9 | -50.9 | 0 | 0 | 0 | 109.7 | E407 | E407-D409 PolarHBondContact O-N 3.42Š| ||
| 410 | D | 46.7 | Very low | 39.4 | Very low | 161 Ų | 161 | 144.2 Ų | 144.2 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -78 | 120.3 | 165 | -80.9 | -72.8 | 0 | 0 | 0 | 108.8 | ||||
| 411 | D | 41.8 | Very low | 39.1 | Very low | 143 Ų | 143 | 147.6 Ų | 147.6 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | -173.3 | 128.7 | 128.6 | -108.4 | -35.9 | 0 | 0 | 0 | 113.9 | |||||
| 412 | K | 46.5 | Very low | 39.6 | Very low | 158 Ų | 158 | 148.5 Ų | 148.5 | 69% | 0.687 | 79% | 0.79 | S | S | * | * | trans | 52.5 | 131.3 | 145.4 | -74.3 | 168.4 | 158.6 | -88.4 | 0 | 123.6 | ||||
| 413 | E | 49.5 | Very low | 39.4 | Very low | 143 Ų | 143 | 151.2 Ų | 151.2 | 67% | 0.668 | 79% | 0.793 | S | S | * | * | trans | 67.3 | 94.7 | 137 | -67.8 | 162.8 | -138 | 0 | 0 | 119 | ||||
| 414 | N | 34.5 | Very low | 39.7 | Very low | 165 Ų | 165 | 154.1 Ų | 154.1 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | -157.1 | 143.7 | 122.3 | -112.8 | -89.8 | 0 | 0 | 0 | 110.6 | |||||
| 415 | L | 38.5 | Very low | 39.9 | Very low | 156 Ų | 156 | 151.7 Ų | 151.7 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -97 | 143.9 | 171 | -80 | 75 | 0 | 0 | 0 | 109.2 | ||
| 416 | P | 42.6 | Very low | 39.3 | Very low | 116 Ų | 116 | 147.3 Ų | 147.3 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 134.6 | 159.1 | 31.6 | -31.2 | 0 | 0 | 0 | 109.2 | ||
| 417 | N | 34.8 | Very low | 39.2 | Very low | 154 Ų | 154 | 148.1 Ų | 148.1 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 141.7 | 170.1 | -168.5 | 38.4 | 0 | 0 | 0 | 109.7 | ||
| 418 | E | 35 | Very low | 38.8 | Very low | 180 Ų | 180 | 151.7 Ų | 151.7 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | trans | -123.9 | 102.4 | -178.6 | -76.7 | -85.5 | 169.9 | 0 | 0 | 109.6 | ||||
| 419 | A | 34.1 | Very low | 38.6 | Very low | 87 Ų | 87 | 155.8 Ų | 155.8 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | trans | -164.3 | 144.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 420 | D | 32.6 | Very low | 38.4 | Very low | 163 Ų | 163 | 152.8 Ų | 152.8 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | cis | -138.6 | 178.9 | 13.3 | -156 | -5.7 | 0 | 0 | 0 | 111.2 | ||||
| 421 | Y | 33.7 | Very low | 37.9 | Very low | 193 Ų | 193 | 153.3 Ų | 153.3 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | trans | -129.9 | 175.5 | -170.9 | -148.2 | -97.3 | 0 | 0 | 0 | 113 | ||||
| 422 | E | 46.2 | Very low | 37.5 | Very low | 147 Ų | 147 | 154 Ų | 154 | 69% | 0.687 | 78% | 0.778 | S | S | * | * | trans | 64.7 | 156.6 | 176 | -64.8 | -42.9 | 160.7 | 0 | 0 | 118.2 | ||||
| 423 | E | 37.1 | Very low | 36.9 | Very low | 170 Ų | 170 | 154.2 Ų | 154.2 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | cis | -145.1 | 172.3 | -20 | 177 | 163.2 | -154.9 | 0 | 0 | 109.3 | ||||
| 424 | L | 40.9 | Very low | 36.3 | Very low | 162 Ų | 162 | 155 Ų | 155 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | -103.4 | 115.5 | -178 | -107.2 | 165.1 | 0 | 0 | 0 | 114.1 | ||||
| 425 | P | 42 | Very low | 36.3 | Very low | 123 Ų | 123 | 153.9 Ų | 153.9 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | trans | -77.5 | 142.4 | 163.9 | -16.7 | 32.3 | 0 | 0 | 0 | 112.6 | ||||
| 426 | G | 31.6 | Very low | 36.2 | Very low | 75 Ų | 75 | 153.7 Ų | 153.7 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -104.1 | 121.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 427 | M | 37.8 | Very low | 36 | Very low | 175 Ų | 175 | 155 Ų | 155 | 86% | 0.862 | 77% | 0.765 | S | S | * | * | trans | 34.9 | 93.5 | 141.9 | -176.5 | 153.1 | 53.4 | 0 | 0 | 118.9 | ||||
| 428 | Y | 31 | Very low | 36.1 | Very low | 242 Ų | 242 | 154.8 Ų | 154.8 | 95% | 0.949 | 76% | 0.759 | S | S | * | * | trans | -136.8 | -163.9 | 135.7 | -104.2 | -76.7 | 0 | 0 | 0 | 110.2 | ||||
| 429 | R | 35.9 | Very low | 36.4 | Very low | 202 Ų | 202 | 153.7 Ų | 153.7 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | -147.5 | 154.6 | -144.9 | -155.4 | -167.1 | 175.7 | -116.1 | -1.3 | 114.3 | ||||
| 430 | D | 33.2 | Very low | 36.7 | Very low | 93 Ų | 93 | 157.8 Ų | 157.8 | 50% | 0.497 | 76% | 0.759 | S | S | . | * | trans | 74.3 | 145.7 | 162.6 | -54 | -49.4 | 0 | 0 | 0 | 118.4 | ||||
| 431 | E | 36.5 | Very low | 37.3 | Very low | 172 Ų | 172 | 158.4 Ų | 158.4 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | 62.4 | 157 | 160.3 | -71.1 | 151.2 | -135.8 | 0 | 0 | 118.2 | ||||
| 432 | E | 34 | Very low | 37.9 | Very low | 157 Ų | 157 | 158.6 Ų | 158.6 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | cis | -171.1 | 147.2 | -42.7 | -119 | 172.2 | -172.9 | 0 | 0 | 105.9 | ||||
| 433 | E | 34.4 | Very low | 38 | Very low | 163 Ų | 163 | 158.5 Ų | 158.5 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | 61.4 | 168.9 | 169.8 | -64.5 | 167.9 | 176.1 | 0 | 0 | 114.1 | ||||
| 434 | E | 36.8 | Very low | 38.7 | Very low | 159 Ų | 159 | 158.4 Ų | 158.4 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | cis | -147.8 | -168.1 | -25.7 | -120.7 | 171.5 | -174.3 | 0 | 0 | 110.2 | ||||
| 435 | E | 34.4 | Very low | 39.3 | Very low | 142 Ų | 142 | 158.4 Ų | 158.4 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | trans | -48.4 | 161.4 | -177.9 | -66.7 | 165.4 | 156.7 | 0 | 0 | 119.3 | ||||
| 436 | E | 36 | Very low | 39.9 | Very low | 153 Ų | 153 | 160.4 Ų | 160.4 | 72% | 0.715 | 78% | 0.778 | S | S | * | * | trans | 64.4 | 152.9 | 144.1 | -69.3 | 163.3 | -169.9 | 0 | 0 | 118.1 | ||||
| 437 | E | 37.3 | Very low | 41 | Very low | 142 Ų | 142 | 163.2 Ų | 163.2 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | cis | -158.8 | -169.8 | -8.4 | -122.5 | 167.8 | -176.3 | 0 | 0 | 109.3 | ||||
| 438 | E | 38.7 | Very low | 41.7 | Very low | 150 Ų | 150 | 163.1 Ų | 163.1 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | 1.3 | 152.8 | 141 | -60.8 | 175.9 | 178.8 | 0 | 0 | 119.5 | ||||
| 439 | E | 39.9 | Very low | 42.9 | Very low | 158 Ų | 158 | 159.3 Ų | 159.3 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | cis | -165.4 | -159.7 | -1.8 | -118.4 | -177 | 177.3 | 0 | 0 | 109.3 | ||||
| 440 | E | 41 | Very low | 43.6 | Very low | 173 Ų | 173 | 158.1 Ų | 158.1 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | trans | 73.5 | 94.4 | 158.5 | -48.9 | -158.4 | 136.1 | 0 | 0 | 118.8 | ||||
| 441 | E | 45.6 | Very low | 44.4 | Very low | 175 Ų | 175 | 162.6 Ų | 162.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | 16 | 135.1 | 113.1 | -44.9 | -72.3 | -177 | 0 | 0 | 118.2 | |||||
| 442 | E | 45 | Very low | 45.1 | Very low | 197 Ų | 197 | 162.4 Ų | 162.4 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | -157.3 | 134.8 | 120.3 | -118.5 | 173.8 | -171.1 | 0 | 0 | 110.2 | |||||
| 443 | D | 49.3 | Very low | 45.9 | Very low | 146 Ų | 146 | 162.7 Ų | 162.7 | 78% | 0.781 | 80% | 0.796 | S | S | * | * | trans | -76.5 | 147.5 | 168.9 | -63.7 | -60.3 | 0 | 0 | 0 | 109.6 | ||||
| 444 | D | 51.9 | Low | 46.8 | Very low | 168 Ų | 168 | 162.1 Ų | 162.1 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | trans | -148.3 | 96.9 | 149.4 | -116.3 | -15.8 | 0 | 0 | 0 | 107.8 | ||||
| 445 | D | 52.7 | Low | 47.7 | Very low | 161 Ų | 161 | 163 Ų | 163 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | -70.4 | 123.9 | 159.4 | -75.1 | -46.9 | 0 | 0 | 0 | 107.2 | ||||
| 446 | D | 55.2 | Low | 48.6 | Very low | 166 Ų | 166 | 163.9 Ų | 163.9 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | -139.1 | 139.5 | 152.2 | -139 | -9 | 0 | 0 | 0 | 110.5 | ||||
| 447 | D | 54.4 | Low | 49.6 | Very low | 134 Ų | 134 | 166.2 Ų | 166.2 | 72% | 0.717 | 82% | 0.822 | S | S | * | * | trans | -105.5 | 120.2 | -162.3 | -150.8 | 6.4 | 0 | 0 | 0 | 108.5 | ||||
| 448 | D | 52.3 | Low | 50.4 | Low | 172 Ų | 172 | 168.3 Ų | 168.3 | 92% | 0.92 | 83% | 0.832 | S | S | * | * | trans | -143 | 92.2 | 168.5 | -115.2 | -15.9 | 0 | 0 | 0 | 108.1 | ||||
| 449 | E | 55.8 | Low | 51.1 | Low | 162 Ų | 162 | 169.5 Ų | 169.5 | 76% | 0.757 | 84% | 0.838 | S | S | * | * | trans | -74.6 | 160 | 169.4 | -65.4 | -171.2 | 122.3 | 0 | 0 | 111.2 | ||||
| 450 | E | 50.8 | Low | 51.6 | Low | 178 Ų | 178 | 170 Ų | 170 | 83% | 0.832 | 84% | 0.84 | S | S | * | * | trans | 69.3 | 113.4 | 168.9 | -53.8 | -174.5 | -179.3 | 0 | 0 | 117.2 | ||||
| 451 | E | 51.4 | Low | 52.1 | Low | 186 Ų | 186 | 167.8 Ų | 167.8 | 87% | 0.869 | 83% | 0.834 | S | S | * | * | -146.3 | 147.9 | 97.6 | -84.6 | -66.9 | -169.8 | 0 | 0 | 108.7 | |||||
| 452 | E | 51.5 | Low | 52.5 | Low | 168 Ų | 168 | 165.5 Ų | 165.5 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | trans | -90.2 | 116.7 | 174.5 | -67.5 | 177.8 | 146.5 | 0 | 0 | 110.2 | ||||
| 453 | D | 48.8 | Very low | 53 | Low | 164 Ų | 164 | 161.1 Ų | 161.1 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -109.7 | 85.8 | 163.2 | -105.6 | -27.2 | 0 | 0 | 0 | 109.1 | E455 | D453-E455 PolarHBondContact O-N 2.89Š| ||
| 454 | D | 55 | Low | 53.4 | Low | 150 Ų | 150 | 157.9 Ų | 157.9 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -68.3 | 64.5 | 175.4 | -90.3 | -22.3 | 0 | 0 | 0 | 112 | ||||
| 455 | E | 55.4 | Low | 53.6 | Low | 178 Ų | 178 | 155.4 Ų | 155.4 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -149.7 | 63.8 | -178.7 | -131.1 | 172.7 | -114.6 | 0 | 0 | 115.2 | D453 | D453-E455 PolarHBondContact O-N 2.89Š| ||
| 456 | D | 53.5 | Low | 53.9 | Low | 160 Ų | 160 | 152.4 Ų | 152.4 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | trans | -164.9 | 36.2 | 157.2 | -107.4 | -17.9 | 0 | 0 | 0 | 116.3 | E458 | D456-E458 VanDerWaalsContact C-N 3.29Å; D456-E458 PolarHBondContact O-N 3.48Å | ||
| 457 | E | 55.9 | Low | 54.3 | Low | 202 Ų | 202 | 148.8 Ų | 148.8 | 94% | 0.944 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 12.4 | 178.8 | -93.6 | -161.1 | 161.5 | 0 | 0 | 116 | ||
| 458 | E | 53.7 | Low | 55.5 | Low | 187 Ų | 187 | 144.7 Ų | 144.7 | 87% | 0.874 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | 1.2 | -173.8 | -71.4 | -158.8 | 172.9 | 0 | 0 | 117.1 | D456 | D456-E458 VanDerWaalsContact C-N 3.29Å; D456-E458 PolarHBondContact O-N 3.48Å |
| 459 | E | 53.1 | Low | 56.9 | Low | 175 Ų | 175 | 141.7 Ų | 141.7 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -100.1 | -13.3 | 177.5 | -67.8 | -122.7 | 153.1 | 0 | 0 | 116 | D461 | E459-D461 VanDerWaalsContact C-N 3.28Å; E459-D461 PolarHBondContact O-N 2.89Å |
| 460 | E | 51.5 | Low | 58.3 | Low | 167 Ų | 167 | 139.4 Ų | 139.4 | 78% | 0.78 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -22.5 | 178.1 | -78.1 | -150.5 | 148.2 | 0 | 0 | 114.1 | D462 D463 T464 | E460-D462 VanDerWaalsContact C-N 3.27Å; E460-D462 PolarHBondContact O-N 3.03Å; E460-D463 PolarHBondContact O-N 3.26Å; E460-T464 PolarHBondContact O-N 3.42Å |
| 461 | D | 51.5 | Low | 59.9 | Low | 127 Ų | 127 | 132.2 Ų | 132.2 | 68% | 0.679 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -68.7 | -25.1 | -171 | -131.9 | 13.3 | 0 | 0 | 0 | 112.5 | E459 T464 L465 | E459-D461 VanDerWaalsContact C-N 3.28Å; E459-D461 PolarHBondContact O-N 2.89Å; D461-T464 PolarHBondContact O-OG1 2.83Å; D461-T464 VanDerWaalsContact O-OG1 3.06Å; D461-L465 PolarHBondContact O-N 3.03Å; D461-L465 VanDerWaalsContact O-N 3.11Å |
| 462 | D | 54.2 | Low | 61.6 | Low | 127 Ų | 127 | 127.1 Ų | 127.1 | 68% | 0.679 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -74.1 | -30 | 176.7 | -109.2 | 0.4 | 0 | 0 | 0 | 112.5 | E460 L465 L466 | E460-D462 VanDerWaalsContact C-N 3.27Å; E460-D462 PolarHBondContact O-N 3.03Å; D462-L465 WeakPolarHBondContact O-CB 3.41Å; D462-L465 PolarHBondContact O-N 3.02Å; D462-L466 WeakPolarHBondContact O-CB 3.46Å; D462-L466 PolarHBondContact O-N 3.27Å |
| 463 | D | 55.1 | Low | 63.4 | Low | 105 Ų | 105 | 125.4 Ų | 125.4 | 56% | 0.561 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -77.8 | -31.3 | 175.7 | -116 | -24.6 | 0 | 0 | 0 | 111.9 | E460 L465 L466 T467 | E460-D463 PolarHBondContact O-N 3.26Å; D463-L465 VanDerWaalsContact C-N 3.29Å; D463-L465 PolarHBondContact O-N 3.24Å; D463-L466 PolarHBondContact O-N 3.27Å; D463-T467 WeakPolarHBondContact O-CB 3.13Å; D463-T467 VanDerWaalsContact O-CG2 3.31Å; D463-T467 WeakPolarHBondContact O-CG2 3.42Å; D463-T467 PolarHBondContact O-N 3.17Å; D463-T467 PolarHBondContact O-OG1 3.14Å |
| 464 | T | 57.3 | Low | 65.3 | Low | 79 Ų | 79 | 120.7 Ų | 120.7 | 49% | 0.485 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -67 | -33.4 | 167.9 | 82 | 0 | 0 | 0 | 0 | 111.6 | E460 D461 T467 S468 | E460-T464 PolarHBondContact O-N 3.42Å; D461-T464 PolarHBondContact O-OG1 2.83Å; D461-T464 VanDerWaalsContact O-OG1 3.06Å; T464-T467 WeakPolarHBondContact CA-OG1 3.21Å; T464-T467 PolarHBondContact O-OG1 2.57Å; T464-S468 WeakPolarHBondContact O-CB 3.47Å; T464-S468 PolarHBondContact O-N 2.71Å |
| 465 | L | 57.2 | Low | 67 | Low | 116 Ų | 116 | 118.3 Ų | 118.3 | 61% | 0.607 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.2 | -40.3 | 172.3 | -161.3 | 80.5 | 0 | 0 | 0 | 111.9 | D461 D462 D463 S468 A471 | D461-L465 PolarHBondContact O-N 3.03Å; D461-L465 VanDerWaalsContact O-N 3.11Å; D462-L465 WeakPolarHBondContact O-CB 3.41Å; D462-L465 PolarHBondContact O-N 3.02Å; D463-L465 VanDerWaalsContact C-N 3.29Å; D463-L465 PolarHBondContact O-N 3.24Å; L465-S468 WeakPolarHBondContact O-CB 3.35Å; L465-A471 WeakPolarHBondContact O-CB 3.4Å |
| 466 | L | 58.8 | Low | 68.8 | Low | 97 Ų | 97 | 117.2 Ų | 117.2 | 51% | 0.508 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -74.8 | -43.7 | -178.7 | -173.2 | 61.9 | 0 | 0 | 0 | 113 | D462 D463 S468 L475 | D462-L466 WeakPolarHBondContact O-CB 3.46Å; D462-L466 PolarHBondContact O-N 3.27Å; D463-L466 PolarHBondContact O-N 3.27Å; L466-S468 PolarHBondContact O-N 3.06Å; L466-L475 HydrophobicContact CD1-CD1 3.88Å |
| 467 | T | 63.1 | Low | 70.8 | Confident | 91 Ų | 91 | 116.3 Ų | 116.3 | 56% | 0.558 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.7 | -19.1 | 175 | 57.5 | 0 | 0 | 0 | 0 | 112.9 | D463 T464 T469 | D463-T467 WeakPolarHBondContact O-CB 3.13Å; D463-T467 VanDerWaalsContact O-CG2 3.31Å; D463-T467 WeakPolarHBondContact O-CG2 3.42Å; D463-T467 PolarHBondContact O-N 3.17Å; D463-T467 PolarHBondContact O-OG1 3.14Å; T464-T467 WeakPolarHBondContact CA-OG1 3.21Å; T464-T467 PolarHBondContact O-OG1 2.57Å; T467-T469 PolarHBondContact O-N 3.09Å |
| 468 | S | 79.3 | Confident | 72.7 | Confident | 48 Ų | 48 | 110.1 Ų | 110.1 | 34% | 0.336 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -43.5 | 125.1 | 174.4 | -176.4 | 0 | 0 | 0 | 0 | 111.8 | T464 L465 L466 L470 A471 M472 | T464-S468 WeakPolarHBondContact O-CB 3.47Å; T464-S468 PolarHBondContact O-N 2.71Å; L465-S468 WeakPolarHBondContact O-CB 3.35Å; L466-S468 PolarHBondContact O-N 3.06Å; S468-L470 PolarHBondContact O-N 2.79Å; S468-A471 PolarHBondContact O-N 2.99Å; S468-M472 PolarHBondContact O-N 3.13Å |
| 469 | T | 82.8 | Confident | 74.7 | Confident | 108 Ų | 108 | 103.4 Ų | 103.4 | 66% | 0.663 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -57.2 | -25.3 | -177 | 67.8 | 0 | 0 | 0 | 0 | 112.5 | T467 K473 | T467-T469 PolarHBondContact O-N 3.09Å; T469-K473 WeakPolarHBondContact O-CB 3.4Å; T469-K473 WeakPolarHBondContact O-CD 3.32Å; T469-K473 WeakPolarHBondContact O-CG 3.3Å; T469-K473 PolarHBondContact O-N 3.39Å |
| 470 | L | 84.3 | Confident | 76.8 | Confident | 114 Ų | 114 | 99.7 Ų | 99.7 | 60% | 0.597 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -72.7 | -47.5 | 173 | -177.3 | 60.1 | 0 | 0 | 0 | 112.2 | S468 K473 V474 | S468-L470 PolarHBondContact O-N 2.79Å; L470-K473 CarbonylContact O-C 3.54Å; L470-K473 WeakPolarHBondContact O-CA 3.47Å; L470-K473 WeakPolarHBondContact O-CB 3.38Å; L470-K473 PolarHBondContact O-N 3.01Å; L470-V474 WeakPolarHBondContact O-CG2 3.44Å; L470-V474 PolarHBondContact O-N 3.47Å |
| 471 | A | 84.8 | Confident | 78.9 | Confident | 27 Ų | 27 | 94.2 Ų | 94.2 | 22% | 0.223 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -59.8 | -48.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L465 S468 K473 V474 L475 | L465-A471 WeakPolarHBondContact O-CB 3.4Å; S468-A471 PolarHBondContact O-N 2.99Å; A471-K473 PolarHBondContact O-N 2.97Å; A471-V474 WeakPolarHBondContact O-CA 3.27Å; A471-V474 WeakPolarHBondContact O-CB 3.42Å; A471-V474 PolarHBondContact O-N 3.21Å; A471-L475 WeakPolarHBondContact O-CG 3.46Å; A471-L475 PolarHBondContact O-N 2.91Å |
| 472 | M | 86.3 | Confident | 81 | Confident | 80 Ų | 80 | 93 Ų | 93 | 39% | 0.394 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -55.8 | -35.4 | 172.1 | -67.2 | -159.5 | 127.2 | 0 | 0 | 113.2 | S468 R476 | S468-M472 PolarHBondContact O-N 3.13Å; M472-R476 VanDerWaalsContact O-CB 3.28Å; M472-R476 WeakPolarHBondContact O-CB 3.5Å; M472-R476 WeakPolarHBondContact O-CD 3.26Å; M472-R476 WeakPolarHBondContact O-CG 3.46Å; M472-R476 PolarHBondContact O-N 3.15Å; M472-R476 PolarHBondContact SD-NH2 2.93Å |
| 473 | K | 89.3 | Confident | 83.1 | Confident | 132 Ų | 132 | 93.7 Ų | 93.7 | 57% | 0.574 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -73.4 | -30.8 | 177.2 | -79 | 161.6 | 63.7 | -175.1 | 0 | 112.3 | T469 L470 A471 K477 | T469-K473 WeakPolarHBondContact O-CB 3.4Å; T469-K473 WeakPolarHBondContact O-CD 3.32Å; T469-K473 WeakPolarHBondContact O-CG 3.3Å; T469-K473 PolarHBondContact O-N 3.39Å; L470-K473 CarbonylContact O-C 3.54Å; L470-K473 WeakPolarHBondContact O-CA 3.47Å; L470-K473 WeakPolarHBondContact O-CB 3.38Å; L470-K473 PolarHBondContact O-N 3.01Å; A471-K473 PolarHBondContact O-N 2.97Å; K473-K477 WeakPolarHBondContact O-CB 3.4Å; K473-K477 PolarHBondContact O-N 3.37Å; K473-K477 VanDerWaalsContact O-N 3.17Å |
| 474 | V | 89.9 | Confident | 85 | Confident | 64 Ų | 64 | 93.3 Ų | 93.3 | 39% | 0.388 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.4 | -53.1 | 170.5 | 174.6 | 0 | 0 | 0 | 0 | 110.2 | L470 A471 R476 K477 D478 | L470-V474 WeakPolarHBondContact O-CG2 3.44Å; L470-V474 PolarHBondContact O-N 3.47Å; A471-V474 WeakPolarHBondContact O-CA 3.27Å; A471-V474 WeakPolarHBondContact O-CB 3.42Å; A471-V474 PolarHBondContact O-N 3.21Å; V474-R476 VanDerWaalsContact C-N 3.33Å; V474-R476 PolarHBondContact O-N 3.01Å; V474-K477 CarbonylContact O-C 3.59Å; V474-K477 WeakPolarHBondContact O-CA 3.27Å; V474-K477 WeakPolarHBondContact O-CB 3.49Å; V474-K477 PolarHBondContact O-N 2.86Å; V474-D478 WeakPolarHBondContact CG1-OD2 3.15Å; V474-D478 PolarHBondContact O-N 3.42Å |
| 475 | L | 90.3 | Very high | 86.8 | Confident | 101 Ų | 101 | 93.8 Ų | 93.8 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -56 | -43.6 | 178.1 | -66.8 | 172.9 | 0 | 0 | 0 | 112.7 | L466 A471 D478 S479 | L466-L475 HydrophobicContact CD1-CD1 3.88Å; A471-L475 WeakPolarHBondContact O-CG 3.46Å; A471-L475 PolarHBondContact O-N 2.91Å; L475-D478 PolarHBondContact O-N 2.87Å; L475-S479 VanDerWaalsContact O-CB 3.23Å; L475-S479 WeakPolarHBondContact O-CB 3.36Å; L475-S479 PolarHBondContact O-N 3.01Å |
| 476 | R | 93.1 | Very high | 88.7 | Confident | 154 Ų | 154 | 93.9 Ų | 93.9 | 58% | 0.581 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.7 | -41.2 | 174.1 | -74 | 168 | -176 | 134.3 | 3.9 | 112.4 | M472 V474 L480 | M472-R476 VanDerWaalsContact O-CB 3.28Å; M472-R476 WeakPolarHBondContact O-CB 3.5Å; M472-R476 WeakPolarHBondContact O-CD 3.26Å; M472-R476 WeakPolarHBondContact O-CG 3.46Å; M472-R476 PolarHBondContact O-N 3.15Å; M472-R476 PolarHBondContact SD-NH2 2.93Å; V474-R476 VanDerWaalsContact C-N 3.33Å; V474-R476 PolarHBondContact O-N 3.01Å; R476-L480 VanDerWaalsContact O-CB 3.3Å; R476-L480 WeakPolarHBondContact O-CB 3.38Å; R476-L480 PolarHBondContact O-N 3.38Å |
| 477 | K | 96.2 | Very high | 90.5 | Very high | 141 Ų | 141 | 98 Ų | 98 | 61% | 0.613 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.5 | -40.6 | 178.3 | 175 | -168 | 169 | -155.7 | 0 | 111.7 | K473 V474 L480 A481 | K473-K477 WeakPolarHBondContact O-CB 3.4Å; K473-K477 PolarHBondContact O-N 3.37Å; K473-K477 VanDerWaalsContact O-N 3.17Å; V474-K477 CarbonylContact O-C 3.59Å; V474-K477 WeakPolarHBondContact O-CA 3.27Å; V474-K477 WeakPolarHBondContact O-CB 3.49Å; V474-K477 PolarHBondContact O-N 2.86Å; K477-L480 WeakPolarHBondContact O-CB 3.41Å; K477-L480 PolarHBondContact O-N 3.11Å; K477-A481 PolarHBondContact O-N 3.32Å |
| 478 | D | 95.1 | Very high | 92 | Very high | 72 Ų | 72 | 96 Ų | 96 | 39% | 0.385 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -81.1 | -36.2 | -175.8 | -62.6 | -18.9 | 0 | 0 | 0 | 111.4 | V474 L475 L480 A481 I482 | V474-D478 WeakPolarHBondContact CG1-OD2 3.15Å; V474-D478 PolarHBondContact O-N 3.42Å; L475-D478 PolarHBondContact O-N 2.87Å; D478-L480 VanDerWaalsContact C-N 3.27Å; D478-L480 PolarHBondContact O-N 3.07Å; D478-A481 WeakPolarHBondContact O-CB 3.34Å; D478-A481 PolarHBondContact O-N 2.79Å; D478-A481 VanDerWaalsContact O-N 3.12Å; D478-I482 WeakPolarHBondContact O-CG1 3.36Å; D478-I482 PolarHBondContact O-N 2.87Å |
| 479 | S | 95.9 | Very high | 92.9 | Very high | 46 Ų | 46 | 96 Ų | 96 | 32% | 0.322 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -56.8 | -41.5 | 165.3 | -170.6 | 0 | 0 | 0 | 0 | 111.7 | L475 K483 | L475-S479 VanDerWaalsContact O-CB 3.23Å; L475-S479 WeakPolarHBondContact O-CB 3.36Å; L475-S479 PolarHBondContact O-N 3.01Å; S479-K483 WeakPolarHBondContact O-CB 3.18Å; S479-K483 WeakPolarHBondContact O-CD 3.33Å; S479-K483 VanDerWaalsContact O-CG 3.26Å; S479-K483 WeakPolarHBondContact O-CG 3.21Å; S479-K483 PolarHBondContact O-N 3.42Å; S479-K483 VanDerWaalsContact O-N 3.08Å; S479-K483 PolarHBondContact OG-NZ 3.15Å |
| 480 | L | 96.4 | Very high | 93.5 | Very high | 98 Ų | 98 | 98 Ų | 98 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 173.9 | 178.3 | 61.4 | 0 | 0 | 0 | 112 | R476 K477 D478 I482 K483 L484 | R476-L480 VanDerWaalsContact O-CB 3.3Å; R476-L480 WeakPolarHBondContact O-CB 3.38Å; R476-L480 PolarHBondContact O-N 3.38Å; K477-L480 WeakPolarHBondContact O-CB 3.41Å; K477-L480 PolarHBondContact O-N 3.11Å; D478-L480 VanDerWaalsContact C-N 3.27Å; D478-L480 PolarHBondContact O-N 3.07Å; L480-I482 PolarHBondContact O-N 2.97Å; L480-K483 PolarHBondContact O-N 3.19Å; L480-L484 HydrophobicContact CD1-CD1 4.1Å; L480-L484 HydrophobicContact CD1-CG 4.09Å; L480-L484 HydrophobicContact CG-CD1 3.94Å; L480-L484 HydrophobicContact CG-CG 4.37Å; L480-L484 WeakPolarHBondContact O-CB 3.35Å; L480-L484 VanDerWaalsContact O-CG 3.29Å; L480-L484 WeakPolarHBondContact O-CG 3.33Å; L480-L484 PolarHBondContact O-N 3.13Å |
| 481 | A | 96.6 | Very high | 94 | Very high | 51 Ų | 51 | 100.7 Ų | 100.7 | 42% | 0.421 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K477 D478 L484 S485 | K477-A481 PolarHBondContact O-N 3.32Å; D478-A481 WeakPolarHBondContact O-CB 3.34Å; D478-A481 PolarHBondContact O-N 2.79Å; D478-A481 VanDerWaalsContact O-N 3.12Å; A481-L484 PolarHBondContact O-N 3.12Å; A481-S485 PolarHBondContact O-N 3.37Å; A481-S485 PolarHBondContact O-OG 2.78Å |
| 482 | I | 95.8 | Very high | 94.5 | Very high | 103 Ų | 103 | 103.4 Ų | 103.4 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 175 | -65.3 | 163.9 | 0 | 0 | 0 | 111.1 | D478 L480 L484 S485 N486 | D478-I482 WeakPolarHBondContact O-CG1 3.36Å; D478-I482 PolarHBondContact O-N 2.87Å; L480-I482 PolarHBondContact O-N 2.97Å; I482-L484 VanDerWaalsContact C-N 3.27Å; I482-L484 PolarHBondContact O-N 2.87Å; I482-S485 PolarHBondContact O-N 3.49Å; I482-S485 PolarHBondContact O-OG 3.5Å; I482-N486 WeakPolarHBondContact O-CB 3.43Å; I482-N486 VanDerWaalsContact O-CG 3.3Å; I482-N486 PolarHBondContact O-N 2.91Å; I482-N486 PolarHBondContact O-ND2 3.22Å |
| 483 | K | 96.8 | Very high | 95 | Very high | 140 Ų | 140 | 101.4 Ų | 101.4 | 61% | 0.609 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65 | -29.6 | 175.6 | -72.9 | 162.4 | -178.2 | 157 | 0 | 112.5 | S479 L480 R487 | S479-K483 WeakPolarHBondContact O-CB 3.18Å; S479-K483 WeakPolarHBondContact O-CD 3.33Å; S479-K483 VanDerWaalsContact O-CG 3.26Å; S479-K483 WeakPolarHBondContact O-CG 3.21Å; S479-K483 PolarHBondContact O-N 3.42Å; S479-K483 VanDerWaalsContact O-N 3.08Å; S479-K483 PolarHBondContact OG-NZ 3.15Å; L480-K483 PolarHBondContact O-N 3.19Å; K483-R487 PolarHBondContact O-N 3.45Å |
| 484 | L | 96.3 | Very high | 95.3 | Very high | 98 Ų | 98 | 97.1 Ų | 97.1 | 51% | 0.513 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -81.9 | -37.4 | 176.3 | -71.9 | 172.9 | 0 | 0 | 0 | 113.1 | L480 A481 I482 N486 R487 | L480-L484 HydrophobicContact CD1-CD1 4.1Å; L480-L484 HydrophobicContact CD1-CG 4.09Å; L480-L484 HydrophobicContact CG-CD1 3.94Å; L480-L484 HydrophobicContact CG-CG 4.37Å; L480-L484 WeakPolarHBondContact O-CB 3.35Å; L480-L484 VanDerWaalsContact O-CG 3.29Å; L480-L484 WeakPolarHBondContact O-CG 3.33Å; L480-L484 PolarHBondContact O-N 3.13Å; A481-L484 PolarHBondContact O-N 3.12Å; I482-L484 VanDerWaalsContact C-N 3.27Å; I482-L484 PolarHBondContact O-N 2.87Å; L484-N486 VanDerWaalsContact C-N 3.32Å; L484-R487 VanDerWaalsContact O-CB 3.25Å; L484-R487 WeakPolarHBondContact O-CB 3.42Å; L484-R487 PolarHBondContact O-N 3.48Å |
| 485 | S | 95.3 | Very high | 95.5 | Very high | 89 Ų | 89 | 100.1 Ų | 100.1 | 62% | 0.622 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.7 | -36.1 | 174.5 | 65.1 | 0 | 0 | 0 | 0 | 112 | A481 I482 R487 | A481-S485 PolarHBondContact O-N 3.37Å; A481-S485 PolarHBondContact O-OG 2.78Å; I482-S485 PolarHBondContact O-N 3.49Å; I482-S485 PolarHBondContact O-OG 3.5Å; S485-R487 VanDerWaalsContact C-N 3.28Å; S485-R487 PolarHBondContact O-N 2.75Å |
| 486 | N | 96.3 | Very high | 95.8 | Very high | 118 Ų | 118 | 101.8 Ų | 101.8 | 63% | 0.631 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 9.5 | -179.6 | -61.7 | -12.3 | 0 | 0 | 0 | 113 | I482 L484 P488 | I482-N486 WeakPolarHBondContact O-CB 3.43Å; I482-N486 VanDerWaalsContact O-CG 3.3Å; I482-N486 PolarHBondContact O-N 2.91Å; I482-N486 PolarHBondContact O-ND2 3.22Å; L484-N486 VanDerWaalsContact C-N 3.32Å; N486-P488 VanDerWaalsContact O-CD 3.31Å; N486-P488 WeakPolarHBondContact O-CD 3.13Å |
| 487 | R | 96.3 | Very high | 95.8 | Very high | 184 Ų | 184 | 101.1 Ų | 101.1 | 69% | 0.694 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 118.6 | -178.5 | -176 | -179.6 | -177.9 | 173.8 | 4.7 | 110.9 | K483 L484 S485 | K483-R487 PolarHBondContact O-N 3.45Å; L484-R487 VanDerWaalsContact O-CB 3.25Å; L484-R487 WeakPolarHBondContact O-CB 3.42Å; L484-R487 PolarHBondContact O-N 3.48Å; S485-R487 VanDerWaalsContact C-N 3.28Å; S485-R487 PolarHBondContact O-N 2.75Å |
| 488 | P | 96.3 | Very high | 95.8 | Very high | 48 Ų | 48 | 99.6 Ų | 99.6 | 31% | 0.312 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -61 | 146.8 | 178.2 | -23.1 | 34.2 | 0 | 0 | 0 | 112.4 | N486 E492 L493 | N486-P488 VanDerWaalsContact O-CD 3.31Å; N486-P488 WeakPolarHBondContact O-CD 3.13Å; P488-E492 WeakPolarHBondContact CA-OE2 3.28Å; P488-E492 HydrophobicContact CB-CB 4.3Å; P488-E492 WeakPolarHBondContact CB-OE2 3.29Å; P488-L493 HydrophobicContact CB-CD2 3.95Å; P488-L493 HydrophobicContact CB-CG 4.15Å; P488-L493 HydrophobicContact CG-CD2 4.33Å |
| 489 | S | 96.9 | Very high | 95.7 | Very high | 49 Ų | 49 | 99.2 Ų | 99.2 | 34% | 0.343 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 155.7 | 179.1 | 81.9 | 0 | 0 | 0 | 0 | 111.7 | R491 E492 L493 | S489-R491 PolarHBondContact O-N 3.01Å; S489-R491 PolarHBondContact OG-N 3.4Å; S489-E492 WeakPolarHBondContact CB-OE1 3.45Å; S489-E492 PolarHBondContact N-OE1 3.46Å; S489-E492 PolarHBondContact N-OE2 3.43Å; S489-E492 PolarHBondContact O-N 2.98Å; S489-E492 PolarHBondContact OG-N 3.24Å; S489-E492 PolarHBondContact OG-OE1 3.05Å; S489-L493 WeakPolarHBondContact O-CG 3.2Å; S489-L493 PolarHBondContact O-N 3.17Å |
| 490 | K | 95.2 | Very high | 95.5 | Very high | 148 Ų | 148 | 101.8 Ų | 101.8 | 64% | 0.643 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -54.2 | -30.5 | 175.2 | -176.7 | 172.7 | 179.7 | 176.9 | 0 | 112.2 | Q494 L499 | K490-Q494 WeakPolarHBondContact O-CB 3.3Å; K490-Q494 VanDerWaalsContact O-CG 3.28Å; K490-Q494 WeakPolarHBondContact O-CG 3.24Å; K490-Q494 PolarHBondContact O-N 2.83Å; K490-Q494 VanDerWaalsContact O-N 3.12Å; K490-L499 HydrophobicContact CG-CD1 3.97Å |
| 491 | R | 95 | Very high | 95.2 | Very high | 172 Ų | 172 | 103.6 Ų | 103.6 | 65% | 0.649 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71.3 | -46.6 | 175.6 | -178.2 | -179.9 | -66 | 155 | 1.2 | 111.8 | S489 L493 Q494 E495 | S489-R491 PolarHBondContact O-N 3.01Å; S489-R491 PolarHBondContact OG-N 3.4Å; R491-L493 VanDerWaalsContact C-N 3.27Å; R491-L493 PolarHBondContact O-N 3.02Å; R491-Q494 CarbonylContact O-C 3.4Å; R491-Q494 WeakPolarHBondContact O-CA 3.33Å; R491-Q494 WeakPolarHBondContact O-CB 3.42Å; R491-Q494 PolarHBondContact O-N 2.93Å; R491-E495 VanDerWaalsContact CD-OE1 3.25Å; R491-E495 WeakPolarHBondContact CD-OE1 3.19Å; R491-E495 HydrophobicContact CG-CG 4.23Å; R491-E495 WeakPolarHBondContact CG-OE1 3.43Å; R491-E495 WeakPolarHBondContact O-CG 3.39Å; R491-E495 PolarHBondContact O-N 3.06Å |
| 492 | E | 95.7 | Very high | 95 | Very high | 83 Ų | 83 | 106 Ų | 106 | 39% | 0.388 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.6 | -38.2 | 176.7 | -71.2 | 134.8 | -122.6 | 0 | 0 | 111.8 | P488 S489 Q494 E495 K496 | P488-E492 WeakPolarHBondContact CA-OE2 3.28Å; P488-E492 HydrophobicContact CB-CB 4.3Å; P488-E492 WeakPolarHBondContact CB-OE2 3.29Å; S489-E492 WeakPolarHBondContact CB-OE1 3.45Å; S489-E492 PolarHBondContact N-OE1 3.46Å; S489-E492 PolarHBondContact N-OE2 3.43Å; S489-E492 PolarHBondContact O-N 2.98Å; S489-E492 PolarHBondContact OG-N 3.24Å; S489-E492 PolarHBondContact OG-OE1 3.05Å; E492-Q494 VanDerWaalsContact C-N 3.31Å; E492-Q494 PolarHBondContact O-N 3.24Å; E492-E495 PolarHBondContact O-N 3Å; E492-K496 VanDerWaalsContact O-CB 3.25Å; E492-K496 WeakPolarHBondContact O-CB 3.28Å; E492-K496 WeakPolarHBondContact O-CG 3.18Å; E492-K496 PolarHBondContact O-N 3.05Å |
| 493 | L | 96.7 | Very high | 94.9 | Very high | 38 Ų | 38 | 103.8 Ų | 103.8 | 20% | 0.199 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -67.1 | -31.8 | 175 | -63 | 176.6 | 0 | 0 | 0 | 112.3 | P488 S489 R491 N497 I498 L499 | P488-L493 HydrophobicContact CB-CD2 3.95Å; P488-L493 HydrophobicContact CB-CG 4.15Å; P488-L493 HydrophobicContact CG-CD2 4.33Å; S489-L493 WeakPolarHBondContact O-CG 3.2Å; S489-L493 PolarHBondContact O-N 3.17Å; R491-L493 VanDerWaalsContact C-N 3.27Å; R491-L493 PolarHBondContact O-N 3.02Å; L493-N497 PolarHBondContact O-N 3.29Å; L493-I498 HydrophobicContact CB-CB 4.46Å; L493-I498 HydrophobicContact CD2-CB 4.49Å; L493-I498 HydrophobicContact CD2-CD1 3.82Å; L493-I498 HydrophobicContact CD2-CG2 4.48Å; L493-I498 WeakPolarHBondContact O-CA 3.43Å; L493-I498 WeakPolarHBondContact O-CB 3.05Å; L493-I498 PolarHBondContact O-N 2.66Å; L493-L499 HydrophobicContact CB-CB 4.48Å; L493-L499 HydrophobicContact CB-CD1 3.76Å; L493-L499 HydrophobicContact CB-CG 3.91Å; L493-L499 HydrophobicContact CD1-CD1 4.04Å; L493-L499 PolarHBondContact O-N 3.39Å |
| 494 | Q | 94.8 | Very high | 94.9 | Very high | 43 Ų | 43 | 102.1 Ų | 102.1 | 20% | 0.201 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -72.4 | -43.9 | 172.2 | -78.7 | 179.2 | -38 | 0 | 0 | 112.4 | K490 R491 E492 K496 N497 L499 M501 | K490-Q494 WeakPolarHBondContact O-CB 3.3Å; K490-Q494 VanDerWaalsContact O-CG 3.28Å; K490-Q494 WeakPolarHBondContact O-CG 3.24Å; K490-Q494 PolarHBondContact O-N 2.83Å; K490-Q494 VanDerWaalsContact O-N 3.12Å; R491-Q494 CarbonylContact O-C 3.4Å; R491-Q494 WeakPolarHBondContact O-CA 3.33Å; R491-Q494 WeakPolarHBondContact O-CB 3.42Å; R491-Q494 PolarHBondContact O-N 2.93Å; E492-Q494 VanDerWaalsContact C-N 3.31Å; E492-Q494 PolarHBondContact O-N 3.24Å; Q494-K496 VanDerWaalsContact C-N 3.31Å; Q494-K496 PolarHBondContact O-N 2.8Å; Q494-N497 WeakPolarHBondContact O-CA 3.28Å; Q494-N497 PolarHBondContact O-N 3.43Å; Q494-L499 WeakPolarHBondContact CA-O 3.37Å; Q494-L499 HydrophobicContact CG-CB 3.82Å; Q494-L499 WeakPolarHBondContact CG-O 3.44Å; Q494-M501 HydrophobicContact CB-CG 3.65Å; Q494-M501 HydrophobicContact CB-SD 3.99Å; Q494-M501 HydrophobicContact CG-CG 3.83Å |
| 495 | E | 95.3 | Very high | 95 | Very high | 127 Ų | 127 | 102.8 Ų | 102.8 | 59% | 0.593 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.1 | -34.7 | 176.5 | -71 | 170.8 | -176.4 | 0 | 0 | 111.8 | R491 E492 N497 | R491-E495 VanDerWaalsContact CD-OE1 3.25Å; R491-E495 WeakPolarHBondContact CD-OE1 3.19Å; R491-E495 HydrophobicContact CG-CG 4.23Å; R491-E495 WeakPolarHBondContact CG-OE1 3.43Å; R491-E495 WeakPolarHBondContact O-CG 3.39Å; R491-E495 PolarHBondContact O-N 3.06Å; E492-E495 PolarHBondContact O-N 3Å; E495-N497 PolarHBondContact O-N 3.05Å; E495-N497 PolarHBondContact O-ND2 3.31Å; E495-N497 VanDerWaalsContact O-ND2 3.14Å |
| 496 | K | 96.8 | Very high | 95 | Very high | 135 Ų | 135 | 103.1 Ų | 103.1 | 59% | 0.587 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 1.7 | 169.6 | -69.3 | 173.5 | 179.7 | -179.2 | 0 | 113.9 | E492 Q494 I498 | E492-K496 VanDerWaalsContact O-CB 3.25Å; E492-K496 WeakPolarHBondContact O-CB 3.28Å; E492-K496 WeakPolarHBondContact O-CG 3.18Å; E492-K496 PolarHBondContact O-N 3.05Å; Q494-K496 VanDerWaalsContact C-N 3.31Å; Q494-K496 PolarHBondContact O-N 2.8Å; K496-I498 HydrophobicContact CB-CD1 3.91Å; K496-I498 HydrophobicContact CB-CG1 4.08Å; K496-I498 HydrophobicContact CD-CD1 4.3Å; K496-I498 PolarHBondContact O-N 2.8Å; K496-I498 VanDerWaalsContact O-N 3.14Å |
| 497 | N | 93.3 | Very high | 95 | Very high | 141 Ų | 141 | 103.7 Ų | 103.7 | 75% | 0.754 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 16.1 | -178.1 | -65.5 | -99.8 | 0 | 0 | 0 | 115.3 | L493 Q494 E495 | L493-N497 PolarHBondContact O-N 3.29Å; Q494-N497 WeakPolarHBondContact O-CA 3.28Å; Q494-N497 PolarHBondContact O-N 3.43Å; E495-N497 PolarHBondContact O-N 3.05Å; E495-N497 PolarHBondContact O-ND2 3.31Å; E495-N497 VanDerWaalsContact O-ND2 3.14Å |
| 498 | I | 95.5 | Very high | 95.1 | Very high | 108 Ų | 108 | 99.5 Ų | 99.5 | 55% | 0.554 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -72.1 | -33.8 | 173.7 | -61 | 166.8 | 0 | 0 | 0 | 110.1 | L493 K496 | L493-I498 HydrophobicContact CB-CB 4.46Å; L493-I498 HydrophobicContact CD2-CB 4.49Å; L493-I498 HydrophobicContact CD2-CD1 3.82Å; L493-I498 HydrophobicContact CD2-CG2 4.48Å; L493-I498 WeakPolarHBondContact O-CA 3.43Å; L493-I498 WeakPolarHBondContact O-CB 3.05Å; L493-I498 PolarHBondContact O-N 2.66Å; K496-I498 HydrophobicContact CB-CD1 3.91Å; K496-I498 HydrophobicContact CB-CG1 4.08Å; K496-I498 HydrophobicContact CD-CD1 4.3Å; K496-I498 PolarHBondContact O-N 2.8Å; K496-I498 VanDerWaalsContact O-N 3.14Å |
| 499 | L | 93.2 | Very high | 95.2 | Very high | 65 Ų | 65 | 101.3 Ų | 101.3 | 34% | 0.34 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -113.8 | 123 | 172.8 | -65.3 | 179.2 | 0 | 0 | 0 | 110.2 | K490 L493 Q494 | K490-L499 HydrophobicContact CG-CD1 3.97Å; L493-L499 HydrophobicContact CB-CB 4.48Å; L493-L499 HydrophobicContact CB-CD1 3.76Å; L493-L499 HydrophobicContact CB-CG 3.91Å; L493-L499 HydrophobicContact CD1-CD1 4.04Å; L493-L499 PolarHBondContact O-N 3.39Å; Q494-L499 WeakPolarHBondContact CA-O 3.37Å; Q494-L499 HydrophobicContact CG-CB 3.82Å; Q494-L499 WeakPolarHBondContact CG-O 3.44Å |
| 500 | P | 91.4 | Very high | 95.2 | Very high | 100 Ų | 100 | 105.9 Ų | 105.9 | 65% | 0.649 | 50% | 0.504 | S | S | * | . | trans | -56.4 | 140.7 | 173.6 | -27.5 | 36 | 0 | 0 | 0 | 113.1 | ||||
| 501 | M | 90.1 | Very high | 95.3 | Very high | 136 Ų | 136 | 106.5 Ų | 106.5 | 67% | 0.67 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -98.1 | -15.5 | 174 | -65 | -168.2 | 76.7 | 0 | 0 | 113.8 | Q494 | Q494-M501 HydrophobicContact CB-CG 3.65Å; Q494-M501 HydrophobicContact CB-SD 3.99Å; Q494-M501 HydrophobicContact CG-CG 3.83Å |
| 502 | Q | 91.8 | Very high | 95.5 | Very high | 102 Ų | 102 | 104.5 Ų | 104.5 | 48% | 0.477 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -127.5 | 155.7 | -175.5 | -67.8 | -179.4 | -41.4 | 0 | 0 | 109.2 | E506 | Q502-E506 HydrophobicContact CB-CB 4.23Š|
| 503 | S | 95.3 | Very high | 95.6 | Very high | 56 Ų | 56 | 106.1 Ų | 106.1 | 39% | 0.392 | 51% | 0.508 | S | S | . | . | trans | -66.9 | 157.9 | 168.6 | 65.9 | 0 | 0 | 0 | 0 | 111.5 | Q505 E506 R507 | S503-Q505 PolarHBondContact O-N 3.22Å; S503-E506 VanDerWaalsContact CB-OE2 3.31Å; S503-E506 WeakPolarHBondContact CB-OE2 3.46Å; S503-E506 PolarHBondContact N-OE2 2.74Å; S503-E506 PolarHBondContact O-N 2.87Å; S503-E506 VanDerWaalsContact OG-CG 3.27Å; S503-E506 WeakPolarHBondContact OG-CG 3.46Å; S503-E506 PolarHBondContact OG-N 3.29Å; S503-E506 PolarHBondContact OG-OE2 2.71Å; S503-R507 WeakPolarHBondContact O-CB 3.44Å; S503-R507 PolarHBondContact O-N 3.15Å | ||
| 504 | D | 95.9 | Very high | 95.7 | Very high | 105 Ų | 105 | 107.2 Ų | 107.2 | 56% | 0.561 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.7 | -29.3 | 176.7 | -82.9 | -55.6 | 0 | 0 | 0 | 113.7 | R507 L508 | D504-R507 PolarHBondContact O-N 2.89Å; D504-R507 IonicContact OD1-CZ 3.19Å; D504-R507 IonicContact OD1-NE 2.85Å; D504-R507 PolarHBondContact OD1-NE 3.35Å; D504-R507 IonicContact OD1-NH2 2.64Å; D504-R507 PolarHBondContact OD1-NH2 3.11Å; D504-L508 VanDerWaalsContact O-CB 3.31Å; D504-L508 WeakPolarHBondContact O-CB 3.28Å; D504-L508 PolarHBondContact O-N 3.42Å |
| 505 | Q | 97.2 | Very high | 95.9 | Very high | 111 Ų | 111 | 107.4 Ų | 107.4 | 52% | 0.519 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.7 | -50.5 | 172.9 | -178.8 | 60.1 | 23.5 | 0 | 0 | 111.1 | S503 R507 L508 E509 | S503-Q505 PolarHBondContact O-N 3.22Å; Q505-R507 VanDerWaalsContact C-N 3.29Å; Q505-R507 PolarHBondContact O-N 3.17Å; Q505-L508 PolarHBondContact O-N 3.35Å; Q505-E509 PolarHBondContact NE2-OE1 3.18Å; Q505-E509 WeakPolarHBondContact O-CG 3.42Å; Q505-E509 PolarHBondContact O-N 2.86Å |
| 506 | E | 96.7 | Very high | 96 | Very high | 96 Ų | 96 | 105.2 Ų | 105.2 | 45% | 0.449 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.2 | -38.7 | 175.3 | -69.2 | 164 | 115.9 | 0 | 0 | 111.7 | Q502 S503 E509 Y510 | Q502-E506 HydrophobicContact CB-CB 4.23Å; S503-E506 VanDerWaalsContact CB-OE2 3.31Å; S503-E506 WeakPolarHBondContact CB-OE2 3.46Å; S503-E506 PolarHBondContact N-OE2 2.74Å; S503-E506 PolarHBondContact O-N 2.87Å; S503-E506 VanDerWaalsContact OG-CG 3.27Å; S503-E506 WeakPolarHBondContact OG-CG 3.46Å; S503-E506 PolarHBondContact OG-N 3.29Å; S503-E506 PolarHBondContact OG-OE2 2.71Å; E506-E509 PolarHBondContact O-N 2.93Å; E506-Y510 VanDerWaalsContact O-CB 3.25Å; E506-Y510 WeakPolarHBondContact O-CB 3.47Å; E506-Y510 PolarHBondContact O-N 2.86Å |
| 507 | R | 96.3 | Very high | 96.1 | Very high | 131 Ų | 131 | 104.9 Ų | 104.9 | 49% | 0.494 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -39.3 | 176.6 | -171.6 | 165.4 | 74.9 | 137.4 | -3 | 111.8 | S503 D504 Q505 R511 | S503-R507 WeakPolarHBondContact O-CB 3.44Å; S503-R507 PolarHBondContact O-N 3.15Å; D504-R507 PolarHBondContact O-N 2.89Å; D504-R507 IonicContact OD1-CZ 3.19Å; D504-R507 IonicContact OD1-NE 2.85Å; D504-R507 PolarHBondContact OD1-NE 3.35Å; D504-R507 IonicContact OD1-NH2 2.64Å; D504-R507 PolarHBondContact OD1-NH2 3.11Å; Q505-R507 VanDerWaalsContact C-N 3.29Å; Q505-R507 PolarHBondContact O-N 3.17Å; R507-R511 WeakPolarHBondContact O-CB 3.46Å; R507-R511 PolarHBondContact O-N 3.19Å; R507-R511 VanDerWaalsContact O-N 3.1Å |
| 508 | L | 97.5 | Very high | 96.4 | Very high | 95 Ų | 95 | 102.8 Ų | 102.8 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.9 | -43.3 | 175.3 | -179.7 | 59.8 | 0 | 0 | 0 | 112 | D504 Q505 R511 Q512 | D504-L508 VanDerWaalsContact O-CB 3.31Å; D504-L508 WeakPolarHBondContact O-CB 3.28Å; D504-L508 PolarHBondContact O-N 3.42Å; Q505-L508 PolarHBondContact O-N 3.35Å; L508-R511 WeakPolarHBondContact O-CB 3.39Å; L508-R511 PolarHBondContact O-N 3.11Å; L508-Q512 PolarHBondContact O-N 2.83Å |
| 509 | E | 97.9 | Very high | 96.5 | Very high | 86 Ų | 86 | 102.1 Ų | 102.1 | 40% | 0.402 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | 175.7 | -74.7 | -179 | -156.8 | 0 | 0 | 111.8 | Q505 E506 R511 Q512 Q513 | Q505-E509 PolarHBondContact NE2-OE1 3.18Å; Q505-E509 WeakPolarHBondContact O-CG 3.42Å; Q505-E509 PolarHBondContact O-N 2.86Å; E506-E509 PolarHBondContact O-N 2.93Å; E509-R511 VanDerWaalsContact C-N 3.31Å; E509-R511 PolarHBondContact O-N 3.1Å; E509-Q512 PolarHBondContact O-N 3.36Å; E509-Q512 VanDerWaalsContact O-N 3.15Å; E509-Q513 WeakPolarHBondContact O-CB 3.49Å; E509-Q513 VanDerWaalsContact O-CG 3.3Å; E509-Q513 WeakPolarHBondContact O-CG 3.25Å; E509-Q513 PolarHBondContact O-N 3.41Å |
| 510 | Y | 97.6 | Very high | 96.8 | Very high | 145 Ų | 145 | 106.1 Ų | 106.1 | 57% | 0.569 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.7 | -39.2 | 175 | -178.7 | -101 | 0 | 0 | 0 | 111.9 | E506 T514 | E506-Y510 VanDerWaalsContact O-CB 3.25Å; E506-Y510 WeakPolarHBondContact O-CB 3.47Å; E506-Y510 PolarHBondContact O-N 2.86Å; Y510-T514 VanDerWaalsContact O-CB 3.25Å; Y510-T514 WeakPolarHBondContact O-CB 3.43Å; Y510-T514 PolarHBondContact O-N 3.03Å; Y510-T514 PolarHBondContact O-OG1 2.75Å |
| 511 | R | 97.9 | Very high | 97.1 | Very high | 161 Ų | 161 | 109.7 Ų | 109.7 | 61% | 0.608 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.2 | -44.9 | 172.1 | -173 | -170.7 | -60.9 | -94.8 | 4.2 | 111.3 | R507 L508 E509 T514 A515 | R507-R511 WeakPolarHBondContact O-CB 3.46Å; R507-R511 PolarHBondContact O-N 3.19Å; R507-R511 VanDerWaalsContact O-N 3.1Å; L508-R511 WeakPolarHBondContact O-CB 3.39Å; L508-R511 PolarHBondContact O-N 3.11Å; E509-R511 VanDerWaalsContact C-N 3.31Å; E509-R511 PolarHBondContact O-N 3.1Å; R511-T514 PolarHBondContact O-N 3.1Å; R511-A515 WeakPolarHBondContact O-CB 3.47Å; R511-A515 PolarHBondContact O-N 2.9Å |
| 512 | Q | 98.5 | Very high | 97.5 | Very high | 130 Ų | 130 | 107.9 Ų | 107.9 | 61% | 0.607 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.8 | -42 | 179.3 | -166.2 | -170.3 | 101.3 | 0 | 0 | 112.4 | L508 E509 T514 A515 T516 | L508-Q512 PolarHBondContact O-N 2.83Å; E509-Q512 PolarHBondContact O-N 3.36Å; E509-Q512 VanDerWaalsContact O-N 3.15Å; Q512-T514 VanDerWaalsContact C-N 3.32Å; Q512-T514 PolarHBondContact O-N 2.98Å; Q512-A515 PolarHBondContact O-N 2.79Å; Q512-T516 WeakPolarHBondContact O-CG2 3.43Å; Q512-T516 PolarHBondContact O-N 2.79Å; Q512-T516 PolarHBondContact O-OG1 2.72Å |
| 513 | Q | 98.4 | Very high | 97.7 | Very high | 117 Ų | 117 | 107.6 Ų | 107.6 | 55% | 0.547 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -40 | 173.1 | -70.9 | 177.7 | 43.7 | 0 | 0 | 111.4 | E509 T516 K517 | E509-Q513 WeakPolarHBondContact O-CB 3.49Å; E509-Q513 VanDerWaalsContact O-CG 3.3Å; E509-Q513 WeakPolarHBondContact O-CG 3.25Å; E509-Q513 PolarHBondContact O-N 3.41Å; Q513-T516 PolarHBondContact O-OG1 3.45Å; Q513-K517 WeakPolarHBondContact O-CB 3.44Å; Q513-K517 PolarHBondContact O-N 3.11Å; Q513-K517 VanDerWaalsContact O-N 3.07Å |
| 514 | T | 98.4 | Very high | 97.8 | Very high | 61 Ų | 61 | 111.2 Ų | 111.2 | 37% | 0.374 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.1 | -45.1 | 175.8 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | Y510 R511 Q512 K517 L518 | Y510-T514 VanDerWaalsContact O-CB 3.25Å; Y510-T514 WeakPolarHBondContact O-CB 3.43Å; Y510-T514 PolarHBondContact O-N 3.03Å; Y510-T514 PolarHBondContact O-OG1 2.75Å; R511-T514 PolarHBondContact O-N 3.1Å; Q512-T514 VanDerWaalsContact C-N 3.32Å; Q512-T514 PolarHBondContact O-N 2.98Å; T514-K517 PolarHBondContact O-N 3.34Å; T514-L518 VanDerWaalsContact O-CB 3.28Å; T514-L518 WeakPolarHBondContact O-CB 3.19Å; T514-L518 PolarHBondContact O-N 3.18Å |
| 515 | A | 98.6 | Very high | 97.9 | Very high | 47 Ų | 47 | 115.4 Ų | 115.4 | 39% | 0.388 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.8 | -51.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R511 Q512 K517 L518 T519 | R511-A515 WeakPolarHBondContact O-CB 3.47Å; R511-A515 PolarHBondContact O-N 2.9Å; Q512-A515 PolarHBondContact O-N 2.79Å; A515-K517 VanDerWaalsContact C-N 3.33Å; A515-K517 PolarHBondContact O-N 3.14Å; A515-L518 WeakPolarHBondContact O-CB 3.44Å; A515-L518 PolarHBondContact O-N 2.97Å; A515-L518 VanDerWaalsContact O-N 3.08Å; A515-T519 PolarHBondContact O-N 3.27Å; A515-T519 PolarHBondContact O-OG1 2.85Å; A515-T519 VanDerWaalsContact O-OG1 3.1Å |
| 516 | T | 98.4 | Very high | 98 | Very high | 82 Ų | 82 | 112.7 Ų | 112.7 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.3 | -37.9 | 178.4 | 51.9 | 0 | 0 | 0 | 0 | 112.7 | Q512 Q513 R520 | Q512-T516 WeakPolarHBondContact O-CG2 3.43Å; Q512-T516 PolarHBondContact O-N 2.79Å; Q512-T516 PolarHBondContact O-OG1 2.72Å; Q513-T516 PolarHBondContact O-OG1 3.45Å; T516-R520 PolarHBondContact O-N 2.73Å |
| 517 | K | 98.7 | Very high | 98 | Very high | 128 Ų | 128 | 111.8 Ų | 111.8 | 56% | 0.557 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.4 | -37.9 | 172.3 | -179.7 | -178.2 | 175.3 | -173.2 | 0 | 112.2 | Q513 T514 A515 R521 | Q513-K517 WeakPolarHBondContact O-CB 3.44Å; Q513-K517 PolarHBondContact O-N 3.11Å; Q513-K517 VanDerWaalsContact O-N 3.07Å; T514-K517 PolarHBondContact O-N 3.34Å; A515-K517 VanDerWaalsContact C-N 3.33Å; A515-K517 PolarHBondContact O-N 3.14Å; K517-R521 WeakPolarHBondContact O-CG 3.37Å; K517-R521 PolarHBondContact O-N 2.93Å |
| 518 | L | 98.6 | Very high | 97.9 | Very high | 96 Ų | 96 | 108.2 Ų | 108.2 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69 | -48.5 | 176.3 | 179 | 60.7 | 0 | 0 | 0 | 111.2 | T514 A515 R520 R521 L522 | T514-L518 VanDerWaalsContact O-CB 3.28Å; T514-L518 WeakPolarHBondContact O-CB 3.19Å; T514-L518 PolarHBondContact O-N 3.18Å; A515-L518 WeakPolarHBondContact O-CB 3.44Å; A515-L518 PolarHBondContact O-N 2.97Å; A515-L518 VanDerWaalsContact O-N 3.08Å; L518-R520 VanDerWaalsContact C-N 3.28Å; L518-R520 PolarHBondContact O-N 3.49Å; L518-R521 CarbonylContact O-C 3.58Å; L518-R521 WeakPolarHBondContact O-CA 3.44Å; L518-R521 WeakPolarHBondContact O-CB 3.28Å; L518-R521 PolarHBondContact O-N 2.54Å; L518-L522 HydrophobicContact CD1-CD1 4.06Å; L518-L522 HydrophobicContact CD1-CD2 4.39Å; L518-L522 HydrophobicContact CD1-CG 3.98Å; L518-L522 HydrophobicContact CD2-CD1 4.49Å; L518-L522 HydrophobicContact CG-CD1 3.87Å; L518-L522 HydrophobicContact CG-CG 4.24Å; L518-L522 WeakPolarHBondContact O-CG 3.49Å; L518-L522 PolarHBondContact O-N 3.14Å |
| 519 | T | 98.4 | Very high | 97.8 | Very high | 95 Ų | 95 | 109.3 Ų | 109.3 | 58% | 0.583 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -54.2 | -44.7 | 176.3 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | A515 R521 L522 S523 | A515-T519 PolarHBondContact O-N 3.27Å; A515-T519 PolarHBondContact O-OG1 2.85Å; A515-T519 VanDerWaalsContact O-OG1 3.1Å; T519-R521 VanDerWaalsContact C-N 3.3Å; T519-R521 PolarHBondContact O-N 3.03Å; T519-L522 PolarHBondContact O-N 2.87Å; T519-S523 PolarHBondContact O-N 3.03Å; T519-S523 PolarHBondContact O-OG 3.49Å |
| 520 | R | 98.4 | Very high | 97.7 | Very high | 148 Ų | 148 | 108.4 Ų | 108.4 | 56% | 0.558 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.8 | -25.8 | 175.6 | -167.7 | 178.6 | 71.6 | -133.9 | 3.5 | 113.9 | T516 L518 S523 Q524 | T516-R520 PolarHBondContact O-N 2.73Å; L518-R520 VanDerWaalsContact C-N 3.28Å; L518-R520 PolarHBondContact O-N 3.49Å; R520-S523 PolarHBondContact O-OG 3.41Å; R520-Q524 WeakPolarHBondContact O-CB 3.39Å; R520-Q524 VanDerWaalsContact O-CG 3.27Å; R520-Q524 WeakPolarHBondContact O-CG 3.41Å |
| 521 | R | 98.3 | Very high | 97.6 | Very high | 176 Ų | 176 | 103.8 Ų | 103.8 | 66% | 0.664 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -80.4 | -36.4 | 174 | -76.1 | -70 | -168.8 | 166 | 3 | 112 | K517 L518 T519 Q524 R525 | K517-R521 WeakPolarHBondContact O-CG 3.37Å; K517-R521 PolarHBondContact O-N 2.93Å; L518-R521 CarbonylContact O-C 3.58Å; L518-R521 WeakPolarHBondContact O-CA 3.44Å; L518-R521 WeakPolarHBondContact O-CB 3.28Å; L518-R521 PolarHBondContact O-N 2.54Å; T519-R521 VanDerWaalsContact C-N 3.3Å; T519-R521 PolarHBondContact O-N 3.03Å; R521-Q524 CarbonylContact O-C 3.55Å; R521-Q524 PolarHBondContact O-N 3.06Å; R521-R525 PolarHBondContact O-N 3.34Å; R521-R525 VanDerWaalsContact O-N 3.16Å |
| 522 | L | 98 | Very high | 97.4 | Very high | 98 Ų | 98 | 99.5 Ų | 99.5 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71 | -39.3 | 177.7 | -67.4 | 174.4 | 0 | 0 | 0 | 111.8 | L518 T519 Q524 R525 | L518-L522 HydrophobicContact CD1-CD1 4.06Å; L518-L522 HydrophobicContact CD1-CD2 4.39Å; L518-L522 HydrophobicContact CD1-CG 3.98Å; L518-L522 HydrophobicContact CD2-CD1 4.49Å; L518-L522 HydrophobicContact CG-CD1 3.87Å; L518-L522 HydrophobicContact CG-CG 4.24Å; L518-L522 WeakPolarHBondContact O-CG 3.49Å; L518-L522 PolarHBondContact O-N 3.14Å; T519-L522 PolarHBondContact O-N 2.87Å; L522-Q524 PolarHBondContact O-N 3.42Å; L522-R525 VanDerWaalsContact O-CB 3.27Å; L522-R525 WeakPolarHBondContact O-CB 3.33Å; L522-R525 PolarHBondContact O-N 3.26Å |
| 523 | S | 97.8 | Very high | 97.2 | Very high | 96 Ų | 96 | 99.8 Ų | 99.8 | 67% | 0.671 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -5.7 | 172.6 | 65.7 | 0 | 0 | 0 | 0 | 114.5 | T519 R520 | T519-S523 PolarHBondContact O-N 3.03Å; T519-S523 PolarHBondContact O-OG 3.49Å; R520-S523 PolarHBondContact O-OG 3.41Å |
| 524 | Q | 97.4 | Very high | 97.1 | Very high | 131 Ų | 131 | 100.8 Ų | 100.8 | 61% | 0.612 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.1 | 22.1 | 175.4 | -62.9 | 179.6 | -6.1 | 0 | 0 | 111.4 | R520 R521 L522 P526 | R520-Q524 WeakPolarHBondContact O-CB 3.39Å; R520-Q524 VanDerWaalsContact O-CG 3.27Å; R520-Q524 WeakPolarHBondContact O-CG 3.41Å; R521-Q524 CarbonylContact O-C 3.55Å; R521-Q524 PolarHBondContact O-N 3.06Å; L522-Q524 PolarHBondContact O-N 3.42Å; Q524-P526 WeakPolarHBondContact O-CD 3.37Å |
| 525 | R | 97.8 | Very high | 96.8 | Very high | 193 Ų | 193 | 103.1 Ų | 103.1 | 73% | 0.728 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -76.1 | 119.7 | 179.7 | -179.5 | 178.4 | 179.2 | 175.1 | 0.4 | 109.7 | R521 L522 | R521-R525 PolarHBondContact O-N 3.34Å; R521-R525 VanDerWaalsContact O-N 3.16Å; L522-R525 VanDerWaalsContact O-CB 3.27Å; L522-R525 WeakPolarHBondContact O-CB 3.33Å; L522-R525 PolarHBondContact O-N 3.26Å |
| 526 | P | 97.5 | Very high | 96.6 | Very high | 55 Ų | 55 | 106.6 Ų | 106.6 | 36% | 0.357 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 154.2 | 172.8 | -20.4 | 33.4 | 0 | 0 | 0 | 111.8 | Q524 E530 L531 | Q524-P526 WeakPolarHBondContact O-CD 3.37Å; P526-E530 HydrophobicContact CB-CB 4.11Å; P526-L531 HydrophobicContact CB-CD2 4.2Å; P526-L531 HydrophobicContact CB-CG 4.3Å; P526-L531 HydrophobicContact CG-CD2 4.44Å |
| 527 | T | 96.8 | Very high | 96.4 | Very high | 76 Ų | 76 | 106.1 Ų | 106.1 | 47% | 0.466 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 166.3 | 172 | 71.9 | 0 | 0 | 0 | 0 | 111.4 | E530 L531 | T527-E530 PolarHBondContact O-N 3.05Å; T527-E530 WeakPolarHBondContact OG1-CB 3.09Å; T527-E530 PolarHBondContact OG1-N 2.82Å; T527-E530 VanDerWaalsContact OG1-N 3.1Å; T527-L531 WeakPolarHBondContact O-CG 3.25Å; T527-L531 PolarHBondContact O-N 3.33Å |
| 528 | A | 95.9 | Very high | 95.9 | Very high | 56 Ų | 56 | 103.9 Ų | 103.9 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E530 L531 E532 L537 | A528-E530 VanDerWaalsContact C-N 3.3Å; A528-E530 PolarHBondContact O-N 3.12Å; A528-L531 WeakPolarHBondContact O-CA 3.5Å; A528-L531 WeakPolarHBondContact O-CB 3.21Å; A528-L531 PolarHBondContact O-N 3.1Å; A528-E532 PolarHBondContact O-N 3.25Å; A528-L537 HydrophobicContact CB-CD2 3.91Å |
| 529 | E | 94.3 | Very high | 95 | Very high | 118 Ų | 118 | 103.6 Ų | 103.6 | 55% | 0.551 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -56.4 | -41.7 | 175.3 | -164.7 | -161.4 | 153.9 | 0 | 0 | 112 | L531 E532 Q533 | E529-L531 PolarHBondContact O-N 3.3Å; E529-E532 PolarHBondContact O-N 3.2Å; E529-E532 VanDerWaalsContact O-N 3.1Å; E529-Q533 HydrophobicContact CG-CG 4.47Å; E529-Q533 WeakPolarHBondContact O-CB 3.28Å; E529-Q533 VanDerWaalsContact O-CG 3.28Å; E529-Q533 WeakPolarHBondContact O-CG 3.48Å; E529-Q533 PolarHBondContact O-N 3.47Å; E529-Q533 PolarHBondContact OE1-NE2 3.06Å |
| 530 | E | 95.8 | Very high | 93.9 | Very high | 67 Ų | 67 | 111 Ų | 111 | 31% | 0.313 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.4 | -20.7 | 174.4 | -98.5 | -158.2 | -93.2 | 0 | 0 | 114.1 | P526 T527 A528 R534 | P526-E530 HydrophobicContact CB-CB 4.11Å; T527-E530 PolarHBondContact O-N 3.05Å; T527-E530 WeakPolarHBondContact OG1-CB 3.09Å; T527-E530 PolarHBondContact OG1-N 2.82Å; T527-E530 VanDerWaalsContact OG1-N 3.1Å; A528-E530 VanDerWaalsContact C-N 3.3Å; A528-E530 PolarHBondContact O-N 3.12Å; E530-R534 WeakPolarHBondContact O-CD 3.48Å; E530-R534 VanDerWaalsContact O-CG 3.28Å; E530-R534 WeakPolarHBondContact O-CG 3.4Å; E530-R534 PolarHBondContact O-NH1 3.41Å; E530-R534 IonicContact OE2-CZ 2.86Å; E530-R534 IonicContact OE2-NH1 2.75Å; E530-R534 PolarHBondContact OE2-NH1 3.48Å; E530-R534 IonicContact OE2-NH2 2.71Å; E530-R534 PolarHBondContact OE2-NH2 3.45Å |
| 531 | L | 96.6 | Very high | 93 | Very high | 49 Ų | 49 | 107.2 Ų | 107.2 | 26% | 0.257 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -91.4 | -30.6 | 173.9 | -63 | 173 | 0 | 0 | 0 | 111.4 | P526 T527 A528 E529 R534 N535 I536 L537 | P526-L531 HydrophobicContact CB-CD2 4.2Å; P526-L531 HydrophobicContact CB-CG 4.3Å; P526-L531 HydrophobicContact CG-CD2 4.44Å; T527-L531 WeakPolarHBondContact O-CG 3.25Å; T527-L531 PolarHBondContact O-N 3.33Å; A528-L531 WeakPolarHBondContact O-CA 3.5Å; A528-L531 WeakPolarHBondContact O-CB 3.21Å; A528-L531 PolarHBondContact O-N 3.1Å; E529-L531 PolarHBondContact O-N 3.3Å; L531-R534 CarbonylContact O-C 3.6Å; L531-R534 PolarHBondContact O-N 3.16Å; L531-N535 PolarHBondContact O-N 2.85Å; L531-N535 VanDerWaalsContact O-N 3.15Å; L531-I536 HydrophobicContact CB-CB 4.27Å; L531-I536 HydrophobicContact CD2-CB 4.27Å; L531-I536 HydrophobicContact CD2-CD1 3.96Å; L531-I536 HydrophobicContact CD2-CG2 4.22Å; L531-I536 PolarHBondContact O-N 3.18Å; L531-L537 HydrophobicContact CB-CB 3.77Å; L531-L537 PolarHBondContact O-N 2.88Å; L531-L537 VanDerWaalsContact O-N 3.1Å |
| 532 | E | 93.5 | Very high | 92.4 | Very high | 70 Ų | 70 | 104.8 Ų | 104.8 | 33% | 0.327 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.3 | -47.6 | 172.8 | -69.1 | 163.9 | -154.8 | 0 | 0 | 111.6 | A528 E529 R534 N535 L537 | A528-E532 PolarHBondContact O-N 3.25Å; E529-E532 PolarHBondContact O-N 3.2Å; E529-E532 VanDerWaalsContact O-N 3.1Å; E532-R534 PolarHBondContact O-N 3.38Å; E532-R534 VanDerWaalsContact O-N 3.11Å; E532-N535 WeakPolarHBondContact O-CA 3.47Å; E532-N535 PolarHBondContact O-N 3.38Å; E532-L537 WeakPolarHBondContact CA-O 3.41Å; E532-L537 HydrophobicContact CG-CB 3.87Å; E532-L537 HydrophobicContact CG-CD2 3.94Å; E532-L537 HydrophobicContact CG-CG 3.81Å; E532-L537 WeakPolarHBondContact OE1-CD2 3.43Å |
| 533 | Q | 94.4 | Very high | 91.9 | Very high | 136 Ų | 136 | 105.4 Ų | 105.4 | 64% | 0.636 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -24.6 | 172.4 | -68.6 | 175.7 | 11.8 | 0 | 0 | 112.8 | E529 | E529-Q533 HydrophobicContact CG-CG 4.47Å; E529-Q533 WeakPolarHBondContact O-CB 3.28Å; E529-Q533 VanDerWaalsContact O-CG 3.28Å; E529-Q533 WeakPolarHBondContact O-CG 3.48Å; E529-Q533 PolarHBondContact O-N 3.47Å; E529-Q533 PolarHBondContact OE1-NE2 3.06Å |
| 534 | R | 96.7 | Very high | 91.5 | Very high | 138 Ų | 138 | 106.2 Ų | 106.2 | 52% | 0.521 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 4.4 | 175.6 | -65.7 | -176.6 | -172.6 | 106.7 | -4.4 | 113.7 | E530 L531 E532 I536 | E530-R534 WeakPolarHBondContact O-CD 3.48Å; E530-R534 VanDerWaalsContact O-CG 3.28Å; E530-R534 WeakPolarHBondContact O-CG 3.4Å; E530-R534 PolarHBondContact O-NH1 3.41Å; E530-R534 IonicContact OE2-CZ 2.86Å; E530-R534 IonicContact OE2-NH1 2.75Å; E530-R534 PolarHBondContact OE2-NH1 3.48Å; E530-R534 IonicContact OE2-NH2 2.71Å; E530-R534 PolarHBondContact OE2-NH2 3.45Å; L531-R534 CarbonylContact O-C 3.6Å; L531-R534 PolarHBondContact O-N 3.16Å; E532-R534 PolarHBondContact O-N 3.38Å; E532-R534 VanDerWaalsContact O-N 3.11Å; R534-I536 HydrophobicContact CB-CD1 3.97Å; R534-I536 HydrophobicContact CB-CG1 4.15Å; R534-I536 PolarHBondContact O-N 3.01Å |
| 535 | N | 90.9 | Very high | 91 | Very high | 110 Ų | 110 | 103.9 Ų | 103.9 | 59% | 0.588 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 27 | -176.8 | -140 | -112.1 | 0 | 0 | 0 | 114.7 | L531 E532 | L531-N535 PolarHBondContact O-N 2.85Å; L531-N535 VanDerWaalsContact O-N 3.15Å; E532-N535 WeakPolarHBondContact O-CA 3.47Å; E532-N535 PolarHBondContact O-N 3.38Å |
| 536 | I | 94.4 | Very high | 90.6 | Very high | 121 Ų | 121 | 100.1 Ų | 100.1 | 62% | 0.621 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -88.3 | -41.1 | 174.6 | -62 | 169.5 | 0 | 0 | 0 | 109.9 | L531 R534 | L531-I536 HydrophobicContact CB-CB 4.27Å; L531-I536 HydrophobicContact CD2-CB 4.27Å; L531-I536 HydrophobicContact CD2-CD1 3.96Å; L531-I536 HydrophobicContact CD2-CG2 4.22Å; L531-I536 PolarHBondContact O-N 3.18Å; R534-I536 HydrophobicContact CB-CD1 3.97Å; R534-I536 HydrophobicContact CB-CG1 4.15Å; R534-I536 PolarHBondContact O-N 3.01Å |
| 537 | L | 93.4 | Very high | 90.5 | Very high | 71 Ų | 71 | 102.4 Ų | 102.4 | 37% | 0.372 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -99 | 148 | 165.5 | -177.4 | 59.4 | 0 | 0 | 0 | 108 | A528 L531 E532 | A528-L537 HydrophobicContact CB-CD2 3.91Å; L531-L537 HydrophobicContact CB-CB 3.77Å; L531-L537 PolarHBondContact O-N 2.88Å; L531-L537 VanDerWaalsContact O-N 3.1Å; E532-L537 WeakPolarHBondContact CA-O 3.41Å; E532-L537 HydrophobicContact CG-CB 3.87Å; E532-L537 HydrophobicContact CG-CD2 3.94Å; E532-L537 HydrophobicContact CG-CG 3.81Å; E532-L537 WeakPolarHBondContact OE1-CD2 3.43Å |
| 538 | K | 88.9 | Confident | 90.3 | Very high | 82 Ų | 82 | 104.4 Ų | 104.4 | 36% | 0.357 | 51% | 0.506 | S | S | . | . | trans | -104.4 | 134.6 | 176.6 | -74 | -72.9 | -168.4 | 152.2 | 0 | 109.4 | R540 E545 | K538-R540 PolarHBondContact O-N 3.46Å; K538-E545 WeakPolarHBondContact CE-OE2 3.42Å; K538-E545 IonicContact NZ-OE1 2.72Å; K538-E545 PolarHBondContact NZ-OE1 2.87Å; K538-E545 IonicContact NZ-OE2 3.12Å; K538-E545 PolarHBondContact NZ-OE2 2.94Å | ||
| 539 | P | 80.3 | Confident | 90.2 | Very high | 90 Ų | 90 | 108.9 Ų | 108.9 | 58% | 0.584 | 52% | 0.515 | S | S | * | . | trans | -50.4 | 126.2 | 160.8 | -25.3 | 35.8 | 0 | 0 | 0 | 108.9 | N541 | P539-N541 PolarHBondContact O-N 3.48Š| ||
| 540 | R | 74.6 | Confident | 90.3 | Very high | 250 Ų | 250 | 109.3 Ų | 109.3 | 94% | 0.943 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -87.9 | 73.4 | -150.8 | -168 | -167.9 | 172.2 | 139.7 | -0.3 | 113.8 | K538 | K538-R540 PolarHBondContact O-N 3.46Š|
| 541 | N | 80.4 | Confident | 90.4 | Very high | 69 Ų | 69 | 110.6 Ų | 110.6 | 37% | 0.369 | 52% | 0.518 | S | S | . | . | trans | -158.9 | 104.8 | 162.1 | -171.6 | 1.6 | 0 | 0 | 0 | 112.6 | P539 L543 E544 E545 | P539-N541 PolarHBondContact O-N 3.48Å; N541-L543 PolarHBondContact O-N 3.14Å; N541-L543 WeakPolarHBondContact OD1-CB 3.34Å; N541-L543 PolarHBondContact OD1-N 3.45Å; N541-L543 VanDerWaalsContact OD1-N 3.17Å; N541-E544 HydrophobicContact CB-CB 3.66Å; N541-E544 WeakPolarHBondContact CB-OE2 3.45Å; N541-E544 PolarHBondContact ND2-OE2 3.48Å; N541-E544 VanDerWaalsContact ND2-OE2 3.14Å; N541-E544 WeakPolarHBondContact O-CB 3.34Å; N541-E544 PolarHBondContact O-N 3.06Å; N541-E545 PolarHBondContact O-N 3.38Å; N541-E545 VanDerWaalsContact O-N 3.11Å | ||
| 542 | D | 85.6 | Confident | 90.4 | Very high | 125 Ų | 125 | 113.4 Ų | 113.4 | 67% | 0.668 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64 | -22.2 | 179.7 | -64.3 | -15.1 | 0 | 0 | 0 | 113.2 | Q546 | D542-Q546 VanDerWaalsContact O-CG 3.28Å; D542-Q546 WeakPolarHBondContact O-CG 3.46Å; D542-Q546 PolarHBondContact O-N 3.35Å; D542-Q546 PolarHBondContact O-NE2 3.25Å |
| 543 | L | 87.6 | Confident | 90.6 | Very high | 111 Ų | 111 | 117.4 Ų | 117.4 | 58% | 0.581 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -76 | -32.3 | 174.7 | -174.7 | 64.1 | 0 | 0 | 0 | 111.5 | N541 Q546 E547 | N541-L543 PolarHBondContact O-N 3.14Å; N541-L543 WeakPolarHBondContact OD1-CB 3.34Å; N541-L543 PolarHBondContact OD1-N 3.45Å; N541-L543 VanDerWaalsContact OD1-N 3.17Å; L543-Q546 CarbonylContact O-C 3.58Å; L543-Q546 WeakPolarHBondContact O-CB 3.38Å; L543-Q546 PolarHBondContact O-N 3.37Å; L543-E547 PolarHBondContact O-N 2.92Å |
| 544 | E | 87.8 | Confident | 90.8 | Very high | 113 Ų | 113 | 118.7 Ų | 118.7 | 53% | 0.528 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -78.2 | -43.4 | -179.4 | -164.6 | 167.4 | 172.7 | 0 | 0 | 111.3 | N541 Q546 E547 E548 | N541-E544 HydrophobicContact CB-CB 3.66Å; N541-E544 WeakPolarHBondContact CB-OE2 3.45Å; N541-E544 PolarHBondContact ND2-OE2 3.48Å; N541-E544 VanDerWaalsContact ND2-OE2 3.14Å; N541-E544 WeakPolarHBondContact O-CB 3.34Å; N541-E544 PolarHBondContact O-N 3.06Å; E544-Q546 PolarHBondContact O-N 3.32Å; E544-E547 CarbonylContact O-C 3.56Å; E544-E547 WeakPolarHBondContact O-CA 3.08Å; E544-E547 WeakPolarHBondContact O-CB 3.27Å; E544-E547 PolarHBondContact O-N 2.84Å; E544-E548 WeakPolarHBondContact O-CG 3.43Å; E544-E548 PolarHBondContact O-N 3.1Å |
| 545 | E | 88.2 | Confident | 90.8 | Very high | 81 Ų | 81 | 116.7 Ų | 116.7 | 38% | 0.379 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59 | -31 | 169.3 | -179 | 168.4 | -178.9 | 0 | 0 | 110.8 | K538 N541 K549 | K538-E545 WeakPolarHBondContact CE-OE2 3.42Å; K538-E545 IonicContact NZ-OE1 2.72Å; K538-E545 PolarHBondContact NZ-OE1 2.87Å; K538-E545 IonicContact NZ-OE2 3.12Å; K538-E545 PolarHBondContact NZ-OE2 2.94Å; N541-E545 PolarHBondContact O-N 3.38Å; N541-E545 VanDerWaalsContact O-N 3.11Å; E545-K549 WeakPolarHBondContact O-CB 3.48Å; E545-K549 PolarHBondContact O-N 3.44Å |
| 546 | Q | 90 | Very high | 91.2 | Very high | 115 Ų | 115 | 115.9 Ų | 115.9 | 54% | 0.537 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -76.2 | -30.2 | 171.5 | -74.9 | 178.2 | 81.9 | 0 | 0 | 113.9 | D542 L543 E544 R550 | D542-Q546 VanDerWaalsContact O-CG 3.28Å; D542-Q546 WeakPolarHBondContact O-CG 3.46Å; D542-Q546 PolarHBondContact O-N 3.35Å; D542-Q546 PolarHBondContact O-NE2 3.25Å; L543-Q546 CarbonylContact O-C 3.58Å; L543-Q546 WeakPolarHBondContact O-CB 3.38Å; L543-Q546 PolarHBondContact O-N 3.37Å; E544-Q546 PolarHBondContact O-N 3.32Å; Q546-R550 WeakPolarHBondContact O-CB 3.3Å; Q546-R550 WeakPolarHBondContact O-CG 3.45Å; Q546-R550 PolarHBondContact O-N 3.42Å; Q546-R550 PolarHBondContact O-NE 2.85Å |
| 547 | E | 93.6 | Very high | 91.3 | Very high | 102 Ų | 102 | 113.3 Ų | 113.3 | 48% | 0.477 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.2 | -53.9 | 171.8 | -166 | 96.1 | -106 | 0 | 0 | 110.8 | L543 E544 K549 R550 E551 | L543-E547 PolarHBondContact O-N 2.92Å; E544-E547 CarbonylContact O-C 3.56Å; E544-E547 WeakPolarHBondContact O-CA 3.08Å; E544-E547 WeakPolarHBondContact O-CB 3.27Å; E544-E547 PolarHBondContact O-N 2.84Å; E547-K549 VanDerWaalsContact C-N 3.28Å; E547-K549 PolarHBondContact O-N 3.38Å; E547-R550 VanDerWaalsContact CA-NH2 3.27Å; E547-R550 CarbonylContact O-C 3.35Å; E547-R550 WeakPolarHBondContact O-CA 3.33Å; E547-R550 WeakPolarHBondContact O-CB 3.25Å; E547-R550 PolarHBondContact O-N 2.89Å; E547-R550 IonicContact OE1-CZ 3.39Å; E547-R550 IonicContact OE1-NH1 3.29Å; E547-R550 PolarHBondContact OE1-NH1 3.45Å; E547-R550 IonicContact OE1-NH2 3.11Å; E547-R550 PolarHBondContact OE1-NH2 2.84Å; E547-R550 IonicContact OE2-NH2 2.74Å; E547-R550 PolarHBondContact OE2-NH2 3.31Å; E547-E551 WeakPolarHBondContact O-CB 3.41Å; E547-E551 PolarHBondContact O-N 3.28Å |
| 548 | E | 92.9 | Very high | 91.5 | Very high | 118 Ų | 118 | 116.7 Ų | 116.7 | 55% | 0.551 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -53.6 | -45.8 | 174.3 | -69.9 | -167.3 | 139.5 | 0 | 0 | 111 | E544 R550 E551 I552 | E544-E548 WeakPolarHBondContact O-CG 3.43Å; E544-E548 PolarHBondContact O-N 3.1Å; E548-R550 VanDerWaalsContact C-N 3.34Å; E548-R550 PolarHBondContact O-N 2.79Å; E548-E551 PolarHBondContact O-N 2.9Å; E548-I552 HydrophobicContact CB-CD1 4.43Å; E548-I552 VanDerWaalsContact O-CB 3.28Å; E548-I552 WeakPolarHBondContact O-CB 3.35Å; E548-I552 WeakPolarHBondContact O-CD1 3.25Å; E548-I552 WeakPolarHBondContact O-CG1 3.25Å; E548-I552 PolarHBondContact O-N 2.62Å |
| 549 | K | 95.3 | Very high | 91.9 | Very high | 151 Ų | 151 | 119.2 Ų | 119.2 | 66% | 0.657 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.3 | -33.1 | 178.2 | -172.9 | 175.1 | -177.1 | 178 | 0 | 112.8 | E545 E547 K553 | E545-K549 WeakPolarHBondContact O-CB 3.48Å; E545-K549 PolarHBondContact O-N 3.44Å; E547-K549 VanDerWaalsContact C-N 3.28Å; E547-K549 PolarHBondContact O-N 3.38Å; K549-K553 WeakPolarHBondContact O-CB 3.38Å; K549-K553 PolarHBondContact O-N 3.28Å; K549-K553 VanDerWaalsContact O-N 3.13Å |
| 550 | R | 95.8 | Very high | 92.7 | Very high | 127 Ų | 127 | 120.3 Ų | 120.3 | 48% | 0.479 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.6 | -44.9 | 171.6 | -78.5 | 177.3 | -68.2 | 126.3 | -4.9 | 111.3 | Q546 E547 E548 K553 R554 | Q546-R550 WeakPolarHBondContact O-CB 3.3Å; Q546-R550 WeakPolarHBondContact O-CG 3.45Å; Q546-R550 PolarHBondContact O-N 3.42Å; Q546-R550 PolarHBondContact O-NE 2.85Å; E547-R550 VanDerWaalsContact CA-NH2 3.27Å; E547-R550 CarbonylContact O-C 3.35Å; E547-R550 WeakPolarHBondContact O-CA 3.33Å; E547-R550 WeakPolarHBondContact O-CB 3.25Å; E547-R550 PolarHBondContact O-N 2.89Å; E547-R550 IonicContact OE1-CZ 3.39Å; E547-R550 IonicContact OE1-NH1 3.29Å; E547-R550 PolarHBondContact OE1-NH1 3.45Å; E547-R550 IonicContact OE1-NH2 3.11Å; E547-R550 PolarHBondContact OE1-NH2 2.84Å; E547-R550 IonicContact OE2-NH2 2.74Å; E547-R550 PolarHBondContact OE2-NH2 3.31Å; E548-R550 VanDerWaalsContact C-N 3.34Å; E548-R550 PolarHBondContact O-N 2.79Å; R550-K553 PolarHBondContact O-N 3.27Å; R550-R554 VanDerWaalsContact O-CB 3.28Å; R550-R554 WeakPolarHBondContact O-CB 3.31Å; R550-R554 PolarHBondContact O-N 2.83Å |
| 551 | E | 96.5 | Very high | 93.7 | Very high | 94 Ų | 94 | 112.7 Ų | 112.7 | 44% | 0.439 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.3 | -53.8 | 175.5 | 170.8 | 89.1 | -92.4 | 0 | 0 | 111.5 | E547 E548 K553 R554 H555 | E547-E551 WeakPolarHBondContact O-CB 3.41Å; E547-E551 PolarHBondContact O-N 3.28Å; E548-E551 PolarHBondContact O-N 2.9Å; E551-K553 VanDerWaalsContact C-N 3.3Å; E551-K553 PolarHBondContact O-N 3.42Å; E551-R554 VanDerWaalsContact CD-NH2 3.34Å; E551-R554 CarbonylContact O-C 3.56Å; E551-R554 WeakPolarHBondContact O-CB 3.49Å; E551-R554 PolarHBondContact O-N 3.21Å; E551-R554 VanDerWaalsContact O-N 3.12Å; E551-R554 IonicContact OE1-CZ 2.92Å; E551-R554 IonicContact OE1-NE 2.66Å; E551-R554 PolarHBondContact OE1-NE 3.15Å; E551-R554 IonicContact OE1-NH2 3.43Å; E551-R554 PolarHBondContact OE1-NH2 2.89Å; E551-R554 IonicContact OE2-NH2 3.42Å; E551-R554 PolarHBondContact OE2-NH2 2.82Å; E551-H555 WeakPolarHBondContact O-CB 3.38Å; E551-H555 PolarHBondContact O-N 3.23Å |
| 552 | I | 97.3 | Very high | 94.4 | Very high | 108 Ų | 108 | 115 Ų | 115 | 55% | 0.554 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.5 | -42.8 | 179.3 | -68.9 | 164.3 | 0 | 0 | 0 | 110 | E548 H555 L556 | E548-I552 HydrophobicContact CB-CD1 4.43Å; E548-I552 VanDerWaalsContact O-CB 3.28Å; E548-I552 WeakPolarHBondContact O-CB 3.35Å; E548-I552 WeakPolarHBondContact O-CD1 3.25Å; E548-I552 WeakPolarHBondContact O-CG1 3.25Å; E548-I552 PolarHBondContact O-N 2.62Å; I552-H555 PolarHBondContact O-N 3.17Å; I552-L556 WeakPolarHBondContact O-CB 3.28Å; I552-L556 PolarHBondContact O-N 2.92Å |
| 553 | K | 97.9 | Very high | 94.8 | Very high | 153 Ų | 153 | 117.4 Ų | 117.4 | 67% | 0.665 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.6 | -48.5 | 173.6 | -174.5 | -179.8 | 179 | -175.4 | 0 | 111.4 | K549 R550 E551 H555 L556 S557 | K549-K553 WeakPolarHBondContact O-CB 3.38Å; K549-K553 PolarHBondContact O-N 3.28Å; K549-K553 VanDerWaalsContact O-N 3.13Å; R550-K553 PolarHBondContact O-N 3.27Å; E551-K553 VanDerWaalsContact C-N 3.3Å; E551-K553 PolarHBondContact O-N 3.42Å; K553-H555 PolarHBondContact O-N 2.86Å; K553-L556 PolarHBondContact O-N 3.38Å; K553-S557 WeakPolarHBondContact O-CB 3.45Å; K553-S557 PolarHBondContact O-N 2.84Å; K553-S557 PolarHBondContact O-OG 3.48Å; K553-S557 VanDerWaalsContact O-OG 3.13Å |
| 554 | R | 97.9 | Very high | 95 | Very high | 164 Ų | 164 | 115 Ų | 115 | 62% | 0.619 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -56.9 | -48 | 176.7 | 175 | 178.7 | 76.3 | 169.2 | 1 | 111.9 | R550 E551 K558 | R550-R554 VanDerWaalsContact O-CB 3.28Å; R550-R554 WeakPolarHBondContact O-CB 3.31Å; R550-R554 PolarHBondContact O-N 2.83Å; E551-R554 VanDerWaalsContact CD-NH2 3.34Å; E551-R554 CarbonylContact O-C 3.56Å; E551-R554 WeakPolarHBondContact O-CB 3.49Å; E551-R554 PolarHBondContact O-N 3.21Å; E551-R554 VanDerWaalsContact O-N 3.12Å; E551-R554 IonicContact OE1-CZ 2.92Å; E551-R554 IonicContact OE1-NE 2.66Å; E551-R554 PolarHBondContact OE1-NE 3.15Å; E551-R554 IonicContact OE1-NH2 3.43Å; E551-R554 PolarHBondContact OE1-NH2 2.89Å; E551-R554 IonicContact OE2-NH2 3.42Å; E551-R554 PolarHBondContact OE2-NH2 2.82Å; R554-K558 PolarHBondContact O-N 3.35Å |
| 555 | H | 97.9 | Very high | 95.1 | Very high | 96 Ų | 96 | 112.5 Ų | 112.5 | 44% | 0.444 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.6 | -42.8 | -179.3 | -175.8 | 77.5 | 0 | 0 | 0 | 112.1 | E551 I552 K553 K558 K559 | E551-H555 WeakPolarHBondContact O-CB 3.38Å; E551-H555 PolarHBondContact O-N 3.23Å; I552-H555 PolarHBondContact O-N 3.17Å; K553-H555 PolarHBondContact O-N 2.86Å; H555-K558 PolarHBondContact O-N 3.07Å; H555-K559 WeakPolarHBondContact NE2-CE 3.44Å; H555-K559 PolarHBondContact NE2-NZ 2.87Å; H555-K559 PolarHBondContact O-N 3.08Å |
| 556 | L | 98.1 | Very high | 95 | Very high | 93 Ų | 93 | 110.7 Ų | 110.7 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 175 | -179.4 | 60.1 | 0 | 0 | 0 | 111.3 | I552 K553 K558 K559 L560 | I552-L556 WeakPolarHBondContact O-CB 3.28Å; I552-L556 PolarHBondContact O-N 2.92Å; K553-L556 PolarHBondContact O-N 3.38Å; L556-K558 VanDerWaalsContact C-N 3.31Å; L556-K558 PolarHBondContact O-N 2.84Å; L556-K559 PolarHBondContact O-N 3.37Å; L556-K559 VanDerWaalsContact O-N 3.15Å; L556-L560 HydrophobicContact CD1-CD1 3.97Å; L556-L560 HydrophobicContact CD1-CG 4.03Å; L556-L560 HydrophobicContact CG-CD1 3.89Å; L556-L560 HydrophobicContact CG-CG 4.35Å; L556-L560 WeakPolarHBondContact O-CB 3.27Å; L556-L560 WeakPolarHBondContact O-CG 3.31Å; L556-L560 PolarHBondContact O-N 3.18Å |
| 557 | S | 97.5 | Very high | 94.8 | Very high | 67 Ų | 67 | 111 Ų | 111 | 47% | 0.469 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -56.1 | -45.2 | 173.8 | -71.5 | 0 | 0 | 0 | 0 | 111.6 | K553 L560 S561 | K553-S557 WeakPolarHBondContact O-CB 3.45Å; K553-S557 PolarHBondContact O-N 2.84Å; K553-S557 PolarHBondContact O-OG 3.48Å; K553-S557 VanDerWaalsContact O-OG 3.13Å; S557-L560 PolarHBondContact O-N 3.1Å; S557-S561 PolarHBondContact O-N 2.98Å; S557-S561 PolarHBondContact O-OG 2.76Å |
| 558 | K | 97.4 | Very high | 94.6 | Very high | 142 Ų | 142 | 110.7 Ų | 110.7 | 62% | 0.617 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63 | -41.2 | 175.3 | -171.5 | 175 | -179.1 | 177.6 | 0 | 112.7 | R554 H555 L556 L560 S561 N562 | R554-K558 PolarHBondContact O-N 3.35Å; H555-K558 PolarHBondContact O-N 3.07Å; L556-K558 VanDerWaalsContact C-N 3.31Å; L556-K558 PolarHBondContact O-N 2.84Å; K558-L560 VanDerWaalsContact C-N 3.32Å; K558-L560 PolarHBondContact O-N 3.21Å; K558-S561 WeakPolarHBondContact CA-OG 3.27Å; K558-S561 PolarHBondContact O-OG 3.28Å; K558-N562 WeakPolarHBondContact O-CB 3.43Å; K558-N562 PolarHBondContact O-N 2.99Å; K558-N562 PolarHBondContact O-OD1 2.87Å; K558-N562 VanDerWaalsContact O-OD1 3.07Å |
| 559 | K | 97.4 | Very high | 94.4 | Very high | 135 Ų | 135 | 106.5 Ų | 106.5 | 59% | 0.587 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.5 | -29.5 | 175.8 | -83.2 | -178.5 | 166.5 | 167.1 | 0 | 113.5 | H555 L556 | H555-K559 WeakPolarHBondContact NE2-CE 3.44Å; H555-K559 PolarHBondContact NE2-NZ 2.87Å; H555-K559 PolarHBondContact O-N 3.08Å; L556-K559 PolarHBondContact O-N 3.37Å; L556-K559 VanDerWaalsContact O-N 3.15Å |
| 560 | L | 95.9 | Very high | 93.9 | Very high | 112 Ų | 112 | 104.5 Ų | 104.5 | 59% | 0.586 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -82.9 | -31.5 | 176.8 | -67.9 | 174.4 | 0 | 0 | 0 | 112.7 | L556 S557 K558 R563 | L556-L560 HydrophobicContact CD1-CD1 3.97Å; L556-L560 HydrophobicContact CD1-CG 4.03Å; L556-L560 HydrophobicContact CG-CD1 3.89Å; L556-L560 HydrophobicContact CG-CG 4.35Å; L556-L560 WeakPolarHBondContact O-CB 3.27Å; L556-L560 WeakPolarHBondContact O-CG 3.31Å; L556-L560 PolarHBondContact O-N 3.18Å; S557-L560 PolarHBondContact O-N 3.1Å; K558-L560 VanDerWaalsContact C-N 3.32Å; K558-L560 PolarHBondContact O-N 3.21Å; L560-R563 VanDerWaalsContact O-CB 3.31Å; L560-R563 WeakPolarHBondContact O-CB 3.41Å |
| 561 | S | 95.8 | Very high | 93.6 | Very high | 90 Ų | 90 | 106.3 Ų | 106.3 | 63% | 0.629 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -71.8 | -37 | 171.3 | 58.8 | 0 | 0 | 0 | 0 | 112.3 | S557 K558 R563 | S557-S561 PolarHBondContact O-N 2.98Å; S557-S561 PolarHBondContact O-OG 2.76Å; K558-S561 WeakPolarHBondContact CA-OG 3.27Å; K558-S561 PolarHBondContact O-OG 3.28Å; S561-R563 PolarHBondContact O-N 2.92Å |
| 562 | N | 95.1 | Very high | 93.3 | Very high | 117 Ų | 117 | 104.8 Ų | 104.8 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 36.1 | 174.7 | -66.3 | 94.2 | 0 | 0 | 0 | 112.1 | K558 | K558-N562 WeakPolarHBondContact O-CB 3.43Å; K558-N562 PolarHBondContact O-N 2.99Å; K558-N562 PolarHBondContact O-OD1 2.87Å; K558-N562 VanDerWaalsContact O-OD1 3.07Å |
| 563 | R | 94.3 | Very high | 92.8 | Very high | 177 Ų | 177 | 107.3 Ų | 107.3 | 67% | 0.668 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -80.6 | 121.6 | 173.9 | -178.5 | -178.5 | 179.4 | -148.1 | -3.6 | 108.9 | L560 S561 | L560-R563 VanDerWaalsContact O-CB 3.31Å; L560-R563 WeakPolarHBondContact O-CB 3.41Å; S561-R563 PolarHBondContact O-N 2.92Å |
| 564 | P | 91.8 | Very high | 92.1 | Very high | 59 Ų | 59 | 105.7 Ų | 105.7 | 38% | 0.383 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 154.8 | -178.5 | 28 | -35.5 | 0 | 0 | 0 | 112.3 | E568 L569 | P564-E568 WeakPolarHBondContact CA-OE2 3.26Å; P564-E568 HydrophobicContact CB-CB 4.33Å; P564-E568 WeakPolarHBondContact CB-OE2 3.49Å; P564-L569 HydrophobicContact CB-CD2 4.29Å; P564-L569 HydrophobicContact CB-CG 4.24Å; P564-L569 HydrophobicContact CG-CD1 4.23Å; P564-L569 HydrophobicContact CG-CD2 3.8Å; P564-L569 HydrophobicContact CG-CG 4.03Å |
| 565 | T | 90.3 | Very high | 91 | Very high | 61 Ų | 61 | 99 Ų | 99 | 37% | 0.374 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 165.5 | 176.4 | 61.2 | 0 | 0 | 0 | 0 | 112.3 | E567 E568 L569 | T565-E567 PolarHBondContact O-N 3.45Å; T565-E568 WeakPolarHBondContact CB-OE1 3.35Å; T565-E568 WeakPolarHBondContact CG2-OE1 3.33Å; T565-E568 PolarHBondContact N-OE1 2.64Å; T565-E568 PolarHBondContact N-OE2 2.85Å; T565-E568 VanDerWaalsContact N-OE2 3.07Å; T565-E568 WeakPolarHBondContact OG1-CB 3.36Å; T565-E568 WeakPolarHBondContact OG1-CG 3.46Å; T565-E568 PolarHBondContact OG1-N 3.12Å; T565-E568 PolarHBondContact OG1-OE1 3.38Å; T565-L569 VanDerWaalsContact O-CG 3.28Å; T565-L569 WeakPolarHBondContact O-CG 3.49Å; T565-L569 PolarHBondContact O-N 2.88Å |
| 566 | V | 86 | Confident | 89.6 | Confident | 43 Ų | 43 | 101.3 Ų | 101.3 | 26% | 0.261 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.7 | -30.1 | 176.3 | 169.9 | 0 | 0 | 0 | 0 | 110.4 | R570 Y581 | V566-R570 WeakPolarHBondContact O-CD 3.47Å; V566-R570 VanDerWaalsContact O-CG 3.24Å; V566-R570 WeakPolarHBondContact O-CG 3.46Å; V566-R570 PolarHBondContact O-N 2.96Å; V566-R570 VanDerWaalsContact O-N 3.1Å; V566-Y581 HydrophobicContact CB-CD2 4.26Å; V566-Y581 HydrophobicContact CB-CE2 4.13Å; V566-Y581 HydrophobicContact CG1-CD2 3.59Å; V566-Y581 HydrophobicContact CG1-CE2 3.77Å; V566-Y581 HydrophobicContact CG2-CD2 3.7Å; V566-Y581 HydrophobicContact CG2-CE2 3.57Å; V566-Y581 HydrophobicContact CG2-CG 4.44Å |
| 567 | E | 85.4 | Confident | 88.1 | Confident | 123 Ų | 123 | 106 Ų | 106 | 58% | 0.575 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -73 | -50.8 | -178 | -66.3 | 55.2 | -123.1 | 0 | 0 | 110.1 | T565 L569 R570 E571 | T565-E567 PolarHBondContact O-N 3.45Å; E567-L569 VanDerWaalsContact C-N 3.27Å; E567-L569 PolarHBondContact O-N 2.9Å; E567-R570 WeakPolarHBondContact O-CB 3.3Å; E567-R570 PolarHBondContact O-N 2.86Å; E567-E571 PolarHBondContact O-N 3.38Å |
| 568 | E | 90.1 | Very high | 85.9 | Confident | 95 Ų | 95 | 111.1 Ų | 111.1 | 44% | 0.444 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -54.3 | -42.8 | 171.5 | -75.1 | 151.6 | -130.2 | 0 | 0 | 111.9 | P564 T565 R570 E571 A572 | P564-E568 WeakPolarHBondContact CA-OE2 3.26Å; P564-E568 HydrophobicContact CB-CB 4.33Å; P564-E568 WeakPolarHBondContact CB-OE2 3.49Å; T565-E568 WeakPolarHBondContact CB-OE1 3.35Å; T565-E568 WeakPolarHBondContact CG2-OE1 3.33Å; T565-E568 PolarHBondContact N-OE1 2.64Å; T565-E568 PolarHBondContact N-OE2 2.85Å; T565-E568 VanDerWaalsContact N-OE2 3.07Å; T565-E568 WeakPolarHBondContact OG1-CB 3.36Å; T565-E568 WeakPolarHBondContact OG1-CG 3.46Å; T565-E568 PolarHBondContact OG1-N 3.12Å; T565-E568 PolarHBondContact OG1-OE1 3.38Å; E568-R570 VanDerWaalsContact C-N 3.32Å; E568-R570 PolarHBondContact O-N 3.05Å; E568-E571 PolarHBondContact O-N 3.25Å; E568-A572 WeakPolarHBondContact O-CB 3.35Å; E568-A572 PolarHBondContact O-N 3.08Å |
| 569 | L | 89.6 | Confident | 83.9 | Confident | 29 Ų | 29 | 108 Ų | 108 | 15% | 0.152 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -70.9 | -25.2 | 179.4 | -68.3 | 174.2 | 0 | 0 | 0 | 113.3 | P564 T565 E567 I574 L575 | P564-L569 HydrophobicContact CB-CD2 4.29Å; P564-L569 HydrophobicContact CB-CG 4.24Å; P564-L569 HydrophobicContact CG-CD1 4.23Å; P564-L569 HydrophobicContact CG-CD2 3.8Å; P564-L569 HydrophobicContact CG-CG 4.03Å; T565-L569 VanDerWaalsContact O-CG 3.28Å; T565-L569 WeakPolarHBondContact O-CG 3.49Å; T565-L569 PolarHBondContact O-N 2.88Å; E567-L569 VanDerWaalsContact C-N 3.27Å; E567-L569 PolarHBondContact O-N 2.9Å; L569-I574 HydrophobicContact CD2-CB 4.24Å; L569-I574 HydrophobicContact CD2-CD1 3.79Å; L569-I574 HydrophobicContact CD2-CG2 4.29Å; L569-I574 WeakPolarHBondContact O-CA 3.43Å; L569-I574 WeakPolarHBondContact O-CB 3.29Å; L569-I574 PolarHBondContact O-N 2.86Å; L569-L575 HydrophobicContact CB-CD1 3.63Å; L569-L575 HydrophobicContact CD1-CD1 3.98Å; L569-L575 HydrophobicContact CG-CD1 4.4Å; L569-L575 PolarHBondContact O-N 3Å |
| 570 | R | 83.7 | Confident | 82.3 | Confident | 109 Ų | 109 | 107.2 Ų | 107.2 | 41% | 0.411 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -76.5 | -43.7 | 171 | -72.9 | 165.6 | -172.6 | -116.2 | 6.5 | 110.9 | V566 E567 E568 K573 L575 | V566-R570 WeakPolarHBondContact O-CD 3.47Å; V566-R570 VanDerWaalsContact O-CG 3.24Å; V566-R570 WeakPolarHBondContact O-CG 3.46Å; V566-R570 PolarHBondContact O-N 2.96Å; V566-R570 VanDerWaalsContact O-N 3.1Å; E567-R570 WeakPolarHBondContact O-CB 3.3Å; E567-R570 PolarHBondContact O-N 2.86Å; E568-R570 VanDerWaalsContact C-N 3.32Å; E568-R570 PolarHBondContact O-N 3.05Å; R570-K573 WeakPolarHBondContact O-CA 3.45Å; R570-K573 PolarHBondContact O-N 2.93Å; R570-L575 HydrophobicContact CG-CB 4.17Å |
| 571 | E | 89.8 | Confident | 80.7 | Confident | 165 Ų | 165 | 106.5 Ų | 106.5 | 77% | 0.771 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.6 | -44.5 | 176.3 | -176.1 | 174.9 | -165.6 | 0 | 0 | 111.8 | E567 E568 K573 | E567-E571 PolarHBondContact O-N 3.38Å; E568-E571 PolarHBondContact O-N 3.25Å; E571-K573 PolarHBondContact O-N 3.04Å |
| 572 | A | 89.4 | Confident | 79.1 | Confident | 63 Ų | 63 | 108.3 Ų | 108.3 | 52% | 0.521 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -1.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | E568 I574 | E568-A572 WeakPolarHBondContact O-CB 3.35Å; E568-A572 PolarHBondContact O-N 3.08Å; A572-I574 HydrophobicContact CB-CD1 4.05Å; A572-I574 HydrophobicContact CB-CG1 4.05Å; A572-I574 PolarHBondContact O-N 3.17Å |
| 573 | K | 86.5 | Confident | 77.8 | Confident | 161 Ų | 161 | 111.7 Ų | 111.7 | 70% | 0.7 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 30.1 | -178.7 | -58.9 | 167.2 | -171 | 169 | 0 | 113.2 | R570 E571 I576 | R570-K573 WeakPolarHBondContact O-CA 3.45Å; R570-K573 PolarHBondContact O-N 2.93Å; E571-K573 PolarHBondContact O-N 3.04Å; K573-I576 WeakPolarHBondContact O-CD1 3.41Å; K573-I576 WeakPolarHBondContact O-CG1 3.31Å |
| 574 | I | 83.4 | Confident | 76.3 | Confident | 118 Ų | 118 | 110 Ų | 110 | 61% | 0.605 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -81.3 | -40.5 | 172.3 | -61.3 | 176.4 | 0 | 0 | 0 | 109 | L569 A572 | L569-I574 HydrophobicContact CD2-CB 4.24Å; L569-I574 HydrophobicContact CD2-CD1 3.79Å; L569-I574 HydrophobicContact CD2-CG2 4.29Å; L569-I574 WeakPolarHBondContact O-CA 3.43Å; L569-I574 WeakPolarHBondContact O-CB 3.29Å; L569-I574 PolarHBondContact O-N 2.86Å; A572-I574 HydrophobicContact CB-CD1 4.05Å; A572-I574 HydrophobicContact CB-CG1 4.05Å; A572-I574 PolarHBondContact O-N 3.17Å |
| 575 | L | 74.9 | Confident | 75.2 | Confident | 25 Ų | 25 | 111.2 Ų | 111.2 | 13% | 0.131 | 57% | 0.568 | C | S | . | * | trans | -97.5 | 89.2 | 167 | -85.2 | 98.4 | 0 | 0 | 0 | 111.7 | L569 R570 R577 D580 Y581 | L569-L575 HydrophobicContact CB-CD1 3.63Å; L569-L575 HydrophobicContact CD1-CD1 3.98Å; L569-L575 HydrophobicContact CG-CD1 4.4Å; L569-L575 PolarHBondContact O-N 3Å; R570-L575 HydrophobicContact CG-CB 4.17Å; L575-R577 VanDerWaalsContact C-N 3.33Å; L575-D580 HydrophobicContact CD2-CB 4.02Å; L575-Y581 HydrophobicContact CD1-CE2 3.73Å; L575-Y581 HydrophobicContact CD2-CD2 3.52Å; L575-Y581 HydrophobicContact CD2-CE2 3.22Å; L575-Y581 HydrophobicContact CD2-CG 4.42Å; L575-Y581 HydrophobicContact CG-CE2 4.11Å | ||
| 576 | I | 68.8 | Low | 74.2 | Confident | 144 Ų | 144 | 117.9 Ų | 117.9 | 74% | 0.738 | 60% | 0.595 | S | S | * | * | trans | -79 | -15.5 | -179.2 | -54.7 | 177.9 | 0 | 0 | 0 | 112.1 | K573 | K573-I576 WeakPolarHBondContact O-CD1 3.41Å; K573-I576 WeakPolarHBondContact O-CG1 3.31Å | ||
| 577 | R | 66.2 | Low | 73.6 | Confident | 191 Ų | 191 | 119.3 Ų | 119.3 | 72% | 0.721 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -127.5 | 137.8 | 178.9 | -73.7 | -170.8 | 155.4 | -167.3 | -9.1 | 112 | L575 S579 | L575-R577 VanDerWaalsContact C-N 3.33Å; R577-S579 PolarHBondContact O-N 3.17Å; R577-S579 VanDerWaalsContact O-N 3.1Å |
| 578 | F | 52.7 | Low | 72.9 | Confident | 174 Ų | 174 | 121.9 Ų | 121.9 | 76% | 0.763 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -1.3 | -165.6 | 63.4 | -93.9 | 0 | 0 | 0 | 115.4 | ||
| 579 | S | 55.6 | Low | 72.1 | Confident | 78 Ų | 78 | 124.2 Ų | 124.2 | 55% | 0.545 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -115.5 | 2.4 | -165.5 | 58 | 0 | 0 | 0 | 0 | 115.5 | R577 Y581 | R577-S579 PolarHBondContact O-N 3.17Å; R577-S579 VanDerWaalsContact O-N 3.1Å; S579-Y581 VanDerWaalsContact C-N 3.26Å; S579-Y581 PolarHBondContact O-N 3.25Å |
| 580 | D | 63.7 | Low | 71.4 | Confident | 118 Ų | 118 | 130.2 Ų | 130.2 | 63% | 0.631 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -82.5 | 1.7 | -178.3 | -73.7 | -31.2 | 0 | 0 | 0 | 114.1 | L575 | L575-D580 HydrophobicContact CD2-CB 4.02Š|
| 581 | Y | 61.1 | Low | 70.9 | Confident | 97 Ų | 97 | 130 Ų | 130 | 38% | 0.38 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -118 | 128.2 | 166.4 | -69 | -53 | 0 | 0 | 0 | 111 | V566 L575 S579 | V566-Y581 HydrophobicContact CB-CD2 4.26Å; V566-Y581 HydrophobicContact CB-CE2 4.13Å; V566-Y581 HydrophobicContact CG1-CD2 3.59Å; V566-Y581 HydrophobicContact CG1-CE2 3.77Å; V566-Y581 HydrophobicContact CG2-CD2 3.7Å; V566-Y581 HydrophobicContact CG2-CE2 3.57Å; V566-Y581 HydrophobicContact CG2-CG 4.44Å; L575-Y581 HydrophobicContact CD1-CE2 3.73Å; L575-Y581 HydrophobicContact CD2-CD2 3.52Å; L575-Y581 HydrophobicContact CD2-CE2 3.22Å; L575-Y581 HydrophobicContact CD2-CG 4.42Å; L575-Y581 HydrophobicContact CG-CE2 4.11Å; S579-Y581 VanDerWaalsContact C-N 3.26Å; S579-Y581 PolarHBondContact O-N 3.25Å |
| 582 | V | 63.4 | Low | 70.2 | Confident | 128 Ų | 128 | 128.5 Ų | 128.5 | 78% | 0.776 | 66% | 0.655 | S | S | * | * | trans | -90.9 | 126.1 | 171.5 | 179.8 | 0 | 0 | 0 | 0 | 108 | V584 | V582-V584 PolarHBondContact O-N 3Š| ||
| 583 | E | 67.8 | Low | 69.4 | Low | 188 Ų | 188 | 136.2 Ų | 136.2 | 88% | 0.879 | 67% | 0.67 | S | S | * | * | trans | -67.4 | 114.1 | 170.6 | -68.9 | 173.5 | -171.1 | 0 | 0 | 109.4 | A585 | E583-A585 PolarHBondContact O-N 2.93Š| ||
| 584 | V | 62.9 | Low | 68.7 | Low | 142 Ų | 142 | 131 Ų | 131 | 86% | 0.861 | 66% | 0.657 | S | S | * | * | trans | -90 | 83.2 | 177.8 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | V582 | V582-V584 PolarHBondContact O-N 3Š| ||
| 585 | A | 68.7 | Low | 68.3 | Low | 83 Ų | 83 | 130.3 Ų | 130.3 | 69% | 0.686 | 66% | 0.655 | S | S | * | * | trans | -76.3 | 146 | 168 | 0 | 0 | 0 | 0 | 0 | 110.9 | E583 A587 | E583-A585 PolarHBondContact O-N 2.93Å; A585-A587 PolarHBondContact O-N 3.31Å; A585-A587 VanDerWaalsContact O-N 3.08Å | ||
| 586 | E | 68.1 | Low | 68.5 | Low | 202 Ų | 202 | 133.1 Ų | 133.1 | 94% | 0.944 | 67% | 0.666 | S | S | * | * | trans | -68.8 | 104.3 | 167.8 | -68.4 | -169.5 | 146.5 | 0 | 0 | 109.5 | ||||
| 587 | A | 73.8 | Confident | 68.7 | Low | 73 Ų | 73 | 130.6 Ų | 130.6 | 60% | 0.603 | 66% | 0.659 | S | S | * | * | trans | -74.4 | 132.8 | 172 | 0 | 0 | 0 | 0 | 0 | 109.8 | A585 D589 | A585-A587 PolarHBondContact O-N 3.31Å; A585-A587 VanDerWaalsContact O-N 3.08Å; A587-D589 PolarHBondContact O-N 3.11Å | ||
| 588 | Q | 70.9 | Confident | 69.1 | Low | 177 Ų | 177 | 129.4 Ų | 129.4 | 83% | 0.827 | 65% | 0.654 | S | S | * | * | trans | -56.2 | 128.5 | 169.3 | -72.9 | -178.5 | -18.1 | 0 | 0 | 110.2 | Y590 | Q588-Y590 WeakPolarHBondContact O-CD1 3.48Å; Q588-Y590 PolarHBondContact O-N 3.06Å | ||
| 589 | D | 73.6 | Confident | 70.3 | Confident | 143 Ų | 143 | 125.3 Ų | 125.3 | 77% | 0.765 | 64% | 0.643 | S | S | * | * | trans | -77 | 77 | 175.3 | -98 | -33.1 | 0 | 0 | 0 | 111 | A587 R592 | A587-D589 PolarHBondContact O-N 3.11Å; D589-R592 IonicContact OD1-CZ 2.98Å; D589-R592 IonicContact OD1-NH1 2.66Å; D589-R592 PolarHBondContact OD1-NH1 3.34Å; D589-R592 IonicContact OD1-NH2 3.91Å | ||
| 590 | Y | 73.8 | Confident | 71.6 | Confident | 156 Ų | 156 | 130.2 Ų | 130.2 | 61% | 0.612 | 65% | 0.65 | S | S | * | * | trans | -68.3 | 141.2 | 163.9 | 64.6 | -92 | 0 | 0 | 0 | 110.1 | Q588 R592 | Q588-Y590 WeakPolarHBondContact O-CD1 3.48Å; Q588-Y590 PolarHBondContact O-N 3.06Å; Y590-R592 HydrophobicContact CD2-CG 4.02Å; Y590-R592 HydrophobicContact CE2-CG 3.6Å; Y590-R592 PolarHBondContact O-N 3.5Å | ||
| 591 | D | 74.2 | Confident | 72.7 | Confident | 103 Ų | 103 | 127 Ų | 127 | 55% | 0.551 | 63% | 0.633 | S | S | * | * | trans | -70.4 | 103.4 | -178.4 | -178.1 | 19.1 | 0 | 0 | 0 | 111.8 | R593 A594 | D591-R593 PolarHBondContact O-N 3.2Å; D591-R593 WeakPolarHBondContact OD1-CA 3.47Å; D591-R593 WeakPolarHBondContact OD1-CB 3.46Å; D591-R593 PolarHBondContact OD1-N 3.27Å; D591-A594 HydrophobicContact CB-CB 4.35Å; D591-A594 WeakPolarHBondContact O-CB 3.43Å; D591-A594 PolarHBondContact O-N 3.39Å; D591-A594 VanDerWaalsContact O-N 3.11Å; D591-A594 PolarHBondContact OD2-N 3.05Å | ||
| 592 | R | 74.3 | Confident | 74 | Confident | 135 Ų | 135 | 125.8 Ų | 125.8 | 51% | 0.509 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.1 | -3.5 | 175.6 | -60.8 | 174.3 | -177.6 | 96.6 | -4 | 113.1 | D589 Y590 | D589-R592 IonicContact OD1-CZ 2.98Å; D589-R592 IonicContact OD1-NH1 2.66Å; D589-R592 PolarHBondContact OD1-NH1 3.34Å; D589-R592 IonicContact OD1-NH2 3.91Å; Y590-R592 HydrophobicContact CD2-CG 4.02Å; Y590-R592 HydrophobicContact CE2-CG 3.6Å; Y590-R592 PolarHBondContact O-N 3.5Å |
| 593 | R | 73.1 | Confident | 75.3 | Confident | 224 Ų | 224 | 123.8 Ų | 123.8 | 85% | 0.845 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | -6.4 | 174.6 | -58.3 | 172.9 | 149.8 | -128 | -2.7 | 114.6 | D591 | D591-R593 PolarHBondContact O-N 3.2Å; D591-R593 WeakPolarHBondContact OD1-CA 3.47Å; D591-R593 WeakPolarHBondContact OD1-CB 3.46Å; D591-R593 PolarHBondContact OD1-N 3.27Å |
| 594 | A | 71.9 | Confident | 76.4 | Confident | 51 Ų | 51 | 118 Ų | 118 | 42% | 0.421 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -56.2 | 163.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D591 K596 | D591-A594 HydrophobicContact CB-CB 4.35Å; D591-A594 WeakPolarHBondContact O-CB 3.43Å; D591-A594 PolarHBondContact O-N 3.39Å; D591-A594 VanDerWaalsContact O-N 3.11Å; D591-A594 PolarHBondContact OD2-N 3.05Å; A594-K596 WeakPolarHBondContact O-CG 3.46Å; A594-K596 PolarHBondContact O-N 3.31Å |
| 595 | D | 74.4 | Confident | 77.7 | Confident | 104 Ų | 104 | 114.2 Ų | 114.2 | 56% | 0.556 | 59% | 0.591 | S | S | * | * | trans | -56.9 | 141.4 | 176.8 | -166.5 | 7.5 | 0 | 0 | 0 | 110.1 | P597 R600 | D595-P597 WeakPolarHBondContact O-CD 3.22Å; D595-R600 VanDerWaalsContact OD2-CD 3.28Å; D595-R600 WeakPolarHBondContact OD2-CD 3.35Å; D595-R600 IonicContact OD2-CZ 3.83Å; D595-R600 IonicContact OD2-NH1 3.92Å; D595-R600 PolarHBondContact OD2-NH1 3.42Å | ||
| 596 | K | 79.2 | Confident | 78.8 | Confident | 85 Ų | 85 | 114.8 Ų | 114.8 | 37% | 0.37 | 58% | 0.579 | S | S | . | * | trans | -109.5 | 88 | -169.9 | -67.1 | 176.8 | -179.3 | 172 | 0 | 106.4 | A594 W598 T599 | A594-K596 WeakPolarHBondContact O-CG 3.46Å; A594-K596 PolarHBondContact O-N 3.31Å; K596-W598 HydrophobicContact CB-CD2 3.98Å; K596-W598 HydrophobicContact CB-CE3 4.14Å; K596-W598 HydrophobicContact CB-CH2 3.9Å; K596-W598 HydrophobicContact CB-CZ2 3.72Å; K596-W598 HydrophobicContact CB-CZ3 4.09Å; K596-W598 HydrophobicContact CD-CH2 4.17Å; K596-W598 HydrophobicContact CD-CZ2 3.72Å; K596-W598 HydrophobicContact CG-CH2 3.67Å; K596-W598 HydrophobicContact CG-CZ2 3.63Å; K596-W598 HydrophobicContact CG-CZ3 4.25Å; K596-W598 PolarHBondContact O-N 2.93Å; K596-T599 HydrophobicContact CB-CG2 3.72Å; K596-T599 WeakPolarHBondContact O-CB 3.42Å; K596-T599 PolarHBondContact O-N 2.87Å; K596-T599 PolarHBondContact O-OG1 3.21Å | ||
| 597 | P | 73.9 | Confident | 79.9 | Confident | 90 Ų | 90 | 106.8 Ų | 106.8 | 58% | 0.584 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -55.9 | -29.8 | -170.5 | 18.4 | -31.6 | 0 | 0 | 0 | 112.7 | D595 T599 R600 L601 | D595-P597 WeakPolarHBondContact O-CD 3.22Å; P597-T599 PolarHBondContact O-N 2.75Å; P597-R600 PolarHBondContact O-N 3Å; P597-L601 PolarHBondContact O-N 3.34Å |
| 598 | W | 74.1 | Confident | 80.8 | Confident | 167 Ų | 167 | 106 Ų | 106 | 63% | 0.633 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.8 | -22.1 | 174.4 | 67 | 88.9 | 0 | 0 | 0 | 115.2 | K596 L601 | K596-W598 HydrophobicContact CB-CD2 3.98Å; K596-W598 HydrophobicContact CB-CE3 4.14Å; K596-W598 HydrophobicContact CB-CH2 3.9Å; K596-W598 HydrophobicContact CB-CZ2 3.72Å; K596-W598 HydrophobicContact CB-CZ3 4.09Å; K596-W598 HydrophobicContact CD-CH2 4.17Å; K596-W598 HydrophobicContact CD-CZ2 3.72Å; K596-W598 HydrophobicContact CG-CH2 3.67Å; K596-W598 HydrophobicContact CG-CZ2 3.63Å; K596-W598 HydrophobicContact CG-CZ3 4.25Å; K596-W598 PolarHBondContact O-N 2.93Å; W598-L601 HydrophobicContact CB-CD1 4.11Å |
| 599 | T | 77.9 | Confident | 81.8 | Confident | 87 Ų | 87 | 100.5 Ų | 100.5 | 53% | 0.534 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -75.7 | -26.5 | 173.1 | 66.8 | 0 | 0 | 0 | 0 | 112.2 | K596 P597 | K596-T599 HydrophobicContact CB-CG2 3.72Å; K596-T599 WeakPolarHBondContact O-CB 3.42Å; K596-T599 PolarHBondContact O-N 2.87Å; K596-T599 PolarHBondContact O-OG1 3.21Å; P597-T599 PolarHBondContact O-N 2.75Å |
| 600 | R | 82.9 | Confident | 82.7 | Confident | 182 Ų | 182 | 97.3 Ų | 97.3 | 69% | 0.687 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -91 | -11.4 | -178 | -60.4 | 179.5 | 64.9 | 152.8 | 1.7 | 114 | D595 P597 T602 | D595-R600 VanDerWaalsContact OD2-CD 3.28Å; D595-R600 WeakPolarHBondContact OD2-CD 3.35Å; D595-R600 IonicContact OD2-CZ 3.83Å; D595-R600 IonicContact OD2-NH1 3.92Å; D595-R600 PolarHBondContact OD2-NH1 3.42Å; P597-R600 PolarHBondContact O-N 3Å; R600-T602 PolarHBondContact O-N 2.95Å |
| 601 | L | 86.6 | Confident | 83.7 | Confident | 50 Ų | 50 | 96 Ų | 96 | 26% | 0.262 | 49% | 0.49 | S | S | . | . | trans | -50.3 | 128.4 | 176.1 | -70.5 | 168.9 | 0 | 0 | 0 | 111.6 | P597 W598 D605 K606 I609 | P597-L601 PolarHBondContact O-N 3.34Å; W598-L601 HydrophobicContact CB-CD1 4.11Å; L601-D605 WeakPolarHBondContact CA-OD2 3.08Å; L601-D605 HydrophobicContact CB-CB 4.24Å; L601-D605 HydrophobicContact CD2-CB 3.62Å; L601-K606 HydrophobicContact CB-CD 4.35Å; L601-K606 HydrophobicContact CB-CG 4.02Å; L601-K606 WeakPolarHBondContact O-CE 3.19Å; L601-K606 PolarHBondContact O-NZ 3.14Å; L601-I609 HydrophobicContact CD1-CD1 3.86Å; L601-I609 HydrophobicContact CD2-CD1 3.88Å | ||
| 602 | T | 89.1 | Confident | 84.6 | Confident | 72 Ų | 72 | 97.1 Ų | 97.1 | 44% | 0.442 | 49% | 0.492 | S | S | . | . | trans | -69.1 | 172.2 | 174.9 | 76.1 | 0 | 0 | 0 | 0 | 111.5 | R600 A604 D605 K606 | R600-T602 PolarHBondContact O-N 2.95Å; T602-A604 PolarHBondContact O-N 3.39Å; T602-A604 PolarHBondContact OG1-N 3.12Å; T602-D605 WeakPolarHBondContact CB-OD2 3.13Å; T602-D605 WeakPolarHBondContact CG2-OD2 3.31Å; T602-D605 PolarHBondContact N-OD2 3.48Å; T602-D605 PolarHBondContact OG1-N 3.21Å; T602-D605 VanDerWaalsContact OG1-N 3.11Å; T602-D605 PolarHBondContact OG1-OD1 2.89Å; T602-D605 PolarHBondContact OG1-OD2 2.94Å; T602-D605 VanDerWaalsContact OG1-OD2 3.07Å; T602-K606 WeakPolarHBondContact O-CB 3.28Å; T602-K606 WeakPolarHBondContact O-CD 3.23Å; T602-K606 WeakPolarHBondContact O-CG 3.13Å; T602-K606 PolarHBondContact O-N 2.9Å; T602-K606 VanDerWaalsContact O-N 3.08Å | ||
| 603 | A | 89.8 | Confident | 85.5 | Confident | 85 Ų | 85 | 94.3 Ų | 94.3 | 70% | 0.702 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -30.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A607 | A603-A607 PolarHBondContact O-N 3.36Å; A603-A607 VanDerWaalsContact O-N 3.13Å |
| 604 | A | 90.4 | Very high | 86.5 | Confident | 67 Ų | 67 | 85 Ų | 85 | 55% | 0.554 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -48.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | T602 K606 A607 A608 | T602-A604 PolarHBondContact O-N 3.39Å; T602-A604 PolarHBondContact OG1-N 3.12Å; A604-K606 VanDerWaalsContact C-N 3.29Å; A604-K606 PolarHBondContact O-N 2.67Å; A604-A607 CarbonylContact O-C 3.56Å; A604-A607 WeakPolarHBondContact O-CA 3.36Å; A604-A607 WeakPolarHBondContact O-CB 3.45Å; A604-A607 PolarHBondContact O-N 2.67Å; A604-A608 PolarHBondContact O-N 3.24Å |
| 605 | D | 92.1 | Very high | 87.5 | Confident | 62 Ų | 62 | 87 Ų | 87 | 33% | 0.332 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 178.6 | -37.5 | -26.6 | 0 | 0 | 0 | 110.4 | L601 T602 A607 A608 I609 | L601-D605 WeakPolarHBondContact CA-OD2 3.08Å; L601-D605 HydrophobicContact CB-CB 4.24Å; L601-D605 HydrophobicContact CD2-CB 3.62Å; T602-D605 WeakPolarHBondContact CB-OD2 3.13Å; T602-D605 WeakPolarHBondContact CG2-OD2 3.31Å; T602-D605 PolarHBondContact N-OD2 3.48Å; T602-D605 PolarHBondContact OG1-N 3.21Å; T602-D605 VanDerWaalsContact OG1-N 3.11Å; T602-D605 PolarHBondContact OG1-OD1 2.89Å; T602-D605 PolarHBondContact OG1-OD2 2.94Å; T602-D605 VanDerWaalsContact OG1-OD2 3.07Å; D605-A607 PolarHBondContact O-N 3.34Å; D605-A608 PolarHBondContact O-N 3.49Å; D605-I609 WeakPolarHBondContact O-CB 3.45Å; D605-I609 WeakPolarHBondContact O-CD1 3.13Å; D605-I609 VanDerWaalsContact O-CG1 3.27Å; D605-I609 WeakPolarHBondContact O-CG1 3.22Å; D605-I609 PolarHBondContact O-N 3.4Å |
| 606 | K | 91.6 | Very high | 88.3 | Confident | 96 Ų | 96 | 86.6 Ų | 86.6 | 42% | 0.417 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.1 | -19.4 | 173.2 | -75 | 164.5 | 175.9 | 141.9 | 0 | 113.4 | L601 T602 A604 R610 | L601-K606 HydrophobicContact CB-CD 4.35Å; L601-K606 HydrophobicContact CB-CG 4.02Å; L601-K606 WeakPolarHBondContact O-CE 3.19Å; L601-K606 PolarHBondContact O-NZ 3.14Å; T602-K606 WeakPolarHBondContact O-CB 3.28Å; T602-K606 WeakPolarHBondContact O-CD 3.23Å; T602-K606 WeakPolarHBondContact O-CG 3.13Å; T602-K606 PolarHBondContact O-N 2.9Å; T602-K606 VanDerWaalsContact O-N 3.08Å; A604-K606 VanDerWaalsContact C-N 3.29Å; A604-K606 PolarHBondContact O-N 2.67Å; K606-R610 WeakPolarHBondContact O-CD 3.16Å; K606-R610 VanDerWaalsContact O-CG 3.24Å; K606-R610 WeakPolarHBondContact O-CG 3.36Å; K606-R610 PolarHBondContact O-NE 3.45Å |
| 607 | A | 90.8 | Very high | 88.8 | Confident | 34 Ų | 34 | 84.7 Ų | 84.7 | 28% | 0.281 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -87 | -43.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A603 A604 D605 R610 K611 | A603-A607 PolarHBondContact O-N 3.36Å; A603-A607 VanDerWaalsContact O-N 3.13Å; A604-A607 CarbonylContact O-C 3.56Å; A604-A607 WeakPolarHBondContact O-CA 3.36Å; A604-A607 WeakPolarHBondContact O-CB 3.45Å; A604-A607 PolarHBondContact O-N 2.67Å; D605-A607 PolarHBondContact O-N 3.34Å; A607-R610 PolarHBondContact O-N 3.31Å; A607-R610 VanDerWaalsContact O-N 3.17Å; A607-K611 PolarHBondContact O-N 3.21Å |
| 608 | A | 92.4 | Very high | 89.4 | Confident | 56 Ų | 56 | 82.9 Ų | 82.9 | 46% | 0.463 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -56.6 | -52.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A604 D605 R610 K611 E612 | A604-A608 PolarHBondContact O-N 3.24Å; D605-A608 PolarHBondContact O-N 3.49Å; A608-R610 VanDerWaalsContact C-N 3.26Å; A608-R610 PolarHBondContact O-N 3.04Å; A608-K611 WeakPolarHBondContact O-CA 3.25Å; A608-K611 WeakPolarHBondContact O-CB 3.4Å; A608-K611 PolarHBondContact O-N 3.07Å; A608-E612 WeakPolarHBondContact O-CB 3.47Å; A608-E612 PolarHBondContact O-N 3.19Å |
| 609 | I | 91.3 | Very high | 89.9 | Confident | 61 Ų | 61 | 80.4 Ų | 80.4 | 31% | 0.313 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.6 | -34.4 | 177.4 | -65.7 | 163.6 | 0 | 0 | 0 | 111.4 | L601 D605 L613 | L601-I609 HydrophobicContact CD1-CD1 3.86Å; L601-I609 HydrophobicContact CD2-CD1 3.88Å; D605-I609 WeakPolarHBondContact O-CB 3.45Å; D605-I609 WeakPolarHBondContact O-CD1 3.13Å; D605-I609 VanDerWaalsContact O-CG1 3.27Å; D605-I609 WeakPolarHBondContact O-CG1 3.22Å; D605-I609 PolarHBondContact O-N 3.4Å; I609-L613 HydrophobicContact CG2-CD1 3.81Å; I609-L613 HydrophobicContact CG2-CG 4.28Å; I609-L613 WeakPolarHBondContact O-CB 3.48Å; I609-L613 WeakPolarHBondContact O-CD1 3.29Å; I609-L613 WeakPolarHBondContact O-CG 3.49Å; I609-L613 PolarHBondContact O-N 2.95Å |
| 610 | R | 93.4 | Very high | 90.4 | Very high | 77 Ų | 77 | 82.9 Ų | 82.9 | 29% | 0.291 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -70.8 | -33.8 | 174 | -79 | -177.7 | -60.4 | 136.5 | 8 | 112.8 | K606 A607 A608 N614 H634 R635 P636 | K606-R610 WeakPolarHBondContact O-CD 3.16Å; K606-R610 VanDerWaalsContact O-CG 3.24Å; K606-R610 WeakPolarHBondContact O-CG 3.36Å; K606-R610 PolarHBondContact O-NE 3.45Å; A607-R610 PolarHBondContact O-N 3.31Å; A607-R610 VanDerWaalsContact O-N 3.17Å; A608-R610 VanDerWaalsContact C-N 3.26Å; A608-R610 PolarHBondContact O-N 3.04Å; R610-N614 WeakPolarHBondContact O-CB 3.34Å; R610-N614 PolarHBondContact O-N 2.9Å; R610-N614 PolarHBondContact O-ND2 3.19Å; R610-H634 HydrophobicContact CB-CB 4.1Å; R610-H634 HydrophobicContact CG-CB 3.99Å; R610-R635 PolarHBondContact NH1-O 3.12Å; R610-P636 PolarHBondContact NH1-O 2.82Å; R610-P636 PolarHBondContact NH1-OXT 3.46Å; R610-P636 PolarHBondContact NH2-OXT 3.13Å |
| 611 | K | 93.7 | Very high | 90.4 | Very high | 127 Ų | 127 | 78 Ų | 78 | 55% | 0.552 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -67.9 | -52.6 | 173.3 | -174.9 | -168.8 | 176.5 | -89.8 | 0 | 110 | A607 A608 L613 N614 E615 | A607-K611 PolarHBondContact O-N 3.21Å; A608-K611 WeakPolarHBondContact O-CA 3.25Å; A608-K611 WeakPolarHBondContact O-CB 3.4Å; A608-K611 PolarHBondContact O-N 3.07Å; K611-L613 PolarHBondContact O-N 3.38Å; K611-N614 CarbonylContact O-C 3.55Å; K611-N614 WeakPolarHBondContact O-CA 3.43Å; K611-N614 WeakPolarHBondContact O-CB 3.45Å; K611-N614 PolarHBondContact O-N 3.48Å; K611-E615 VanDerWaalsContact NZ-CD 3.34Å; K611-E615 IonicContact NZ-OE1 2.73Å; K611-E615 PolarHBondContact NZ-OE1 3.5Å; K611-E615 IonicContact NZ-OE2 3.21Å; K611-E615 PolarHBondContact NZ-OE2 2.66Å; K611-E615 WeakPolarHBondContact O-CB 3.37Å; K611-E615 PolarHBondContact O-N 2.83Å |
| 612 | E | 94.3 | Very high | 90.3 | Very high | 127 Ų | 127 | 84.9 Ų | 84.9 | 59% | 0.593 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -56.3 | -48.4 | 178.9 | -174.3 | -178.2 | -176.2 | 0 | 0 | 111.8 | A608 N614 E615 F616 | A608-E612 WeakPolarHBondContact O-CB 3.47Å; A608-E612 PolarHBondContact O-N 3.19Å; E612-N614 PolarHBondContact O-N 2.95Å; E612-E615 PolarHBondContact O-N 3.35Å; E612-F616 WeakPolarHBondContact O-CB 3.15Å; E612-F616 PolarHBondContact O-N 2.95Å |
| 613 | L | 93.5 | Very high | 90.1 | Very high | 76 Ų | 76 | 83.6 Ų | 83.6 | 40% | 0.398 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.7 | -17.5 | 174 | -73.1 | 172.7 | 0 | 0 | 0 | 114.3 | I609 K611 K617 | I609-L613 HydrophobicContact CG2-CD1 3.81Å; I609-L613 HydrophobicContact CG2-CG 4.28Å; I609-L613 WeakPolarHBondContact O-CB 3.48Å; I609-L613 WeakPolarHBondContact O-CD1 3.29Å; I609-L613 WeakPolarHBondContact O-CG 3.49Å; I609-L613 PolarHBondContact O-N 2.95Å; K611-L613 PolarHBondContact O-N 3.38Å; L613-K617 WeakPolarHBondContact O-CB 3.4Å; L613-K617 WeakPolarHBondContact O-CD 3.18Å; L613-K617 WeakPolarHBondContact O-CE 3.43Å; L613-K617 WeakPolarHBondContact O-CG 3.42Å |
| 614 | N | 93 | Very high | 90 | Very high | 30 Ų | 30 | 86.5 Ų | 86.5 | 16% | 0.16 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -87.4 | -38.4 | 172 | -79.3 | -10.5 | 0 | 0 | 0 | 111.6 | R610 K611 E612 K617 S618 F633 H634 | R610-N614 WeakPolarHBondContact O-CB 3.34Å; R610-N614 PolarHBondContact O-N 2.9Å; R610-N614 PolarHBondContact O-ND2 3.19Å; K611-N614 CarbonylContact O-C 3.55Å; K611-N614 WeakPolarHBondContact O-CA 3.43Å; K611-N614 WeakPolarHBondContact O-CB 3.45Å; K611-N614 PolarHBondContact O-N 3.48Å; E612-N614 PolarHBondContact O-N 2.95Å; N614-K617 PolarHBondContact O-N 3.4Å; N614-S618 PolarHBondContact O-N 3.32Å; N614-S618 VanDerWaalsContact O-N 3.14Å; N614-S618 PolarHBondContact O-OG 2.85Å; N614-F633 HydrophobicContact CB-CD1 3.95Å; N614-F633 WeakPolarHBondContact O-CE1 3.49Å; N614-F633 WeakPolarHBondContact OD1-CA 3.35Å; N614-F633 WeakPolarHBondContact OD1-CB 3.37Å; N614-H634 PolarHBondContact ND2-O 3.38Å; N614-H634 PolarHBondContact OD1-CD2 3.09Å; N614-H634 PolarHBondContact OD1-N 3.29Å |
| 615 | E | 92.5 | Very high | 89.8 | Confident | 92 Ų | 92 | 89.5 Ų | 89.5 | 43% | 0.43 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63 | -54.1 | 177 | -159 | 151 | -153.7 | 0 | 0 | 109.3 | K611 E612 K617 S618 T619 | K611-E615 VanDerWaalsContact NZ-CD 3.34Å; K611-E615 IonicContact NZ-OE1 2.73Å; K611-E615 PolarHBondContact NZ-OE1 3.5Å; K611-E615 IonicContact NZ-OE2 3.21Å; K611-E615 PolarHBondContact NZ-OE2 2.66Å; K611-E615 WeakPolarHBondContact O-CB 3.37Å; K611-E615 PolarHBondContact O-N 2.83Å; E612-E615 PolarHBondContact O-N 3.35Å; E615-K617 VanDerWaalsContact C-N 3.29Å; E615-K617 PolarHBondContact O-N 3.35Å; E615-S618 PolarHBondContact O-N 2.89Å; E615-S618 PolarHBondContact O-OG 3.08Å; E615-T619 PolarHBondContact O-N 2.86Å; E615-T619 PolarHBondContact O-OG1 3.43Å |
| 616 | F | 91.4 | Very high | 89.6 | Confident | 95 Ų | 95 | 90.2 Ų | 90.2 | 42% | 0.417 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -51.5 | -44 | 172.3 | -175.3 | -89.9 | 0 | 0 | 0 | 113 | E612 S618 E620 M621 | E612-F616 WeakPolarHBondContact O-CB 3.15Å; E612-F616 PolarHBondContact O-N 2.95Å; F616-S618 VanDerWaalsContact C-N 3.25Å; F616-S618 PolarHBondContact O-N 2.8Å; F616-E620 HydrophobicContact CD2-CB 3.86Å; F616-E620 HydrophobicContact CD2-CG 4.02Å; F616-E620 VanDerWaalsContact CD2-OE2 3.28Å; F616-E620 WeakPolarHBondContact CD2-OE2 3.28Å; F616-E620 HydrophobicContact CE2-CB 4.06Å; F616-E620 HydrophobicContact CE2-CG 3.78Å; F616-E620 WeakPolarHBondContact CE2-OE1 3.28Å; F616-E620 HydrophobicContact CG-CB 4.36Å; F616-E620 PolarHBondContact O-N 2.83Å; F616-M621 HydrophobicContact CD1-CB 4.18Å; F616-M621 HydrophobicContact CE1-CB 3.97Å; F616-M621 PolarHBondContact O-N 2.86Å |
| 617 | K | 90.9 | Very high | 89.5 | Confident | 46 Ų | 46 | 88 Ų | 88 | 20% | 0.2 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -69.2 | -14.8 | 177.3 | -78.1 | 176 | -166.8 | 168.5 | 0 | 114.9 | L613 N614 E615 M621 T631 R632 F633 H634 | L613-K617 WeakPolarHBondContact O-CB 3.4Å; L613-K617 WeakPolarHBondContact O-CD 3.18Å; L613-K617 WeakPolarHBondContact O-CE 3.43Å; L613-K617 WeakPolarHBondContact O-CG 3.42Å; N614-K617 PolarHBondContact O-N 3.4Å; E615-K617 VanDerWaalsContact C-N 3.29Å; E615-K617 PolarHBondContact O-N 3.35Å; K617-M621 HydrophobicContact CB-CE 4.23Å; K617-M621 HydrophobicContact CG-CE 3.94Å; K617-M621 HydrophobicContact CG-SD 4.46Å; K617-T631 HydrophobicContact CB-CG2 4.07Å; K617-T631 HydrophobicContact CD-CG2 4.36Å; K617-T631 HydrophobicContact CG-CG2 4.47Å; K617-R632 PolarHBondContact NZ-O 2.81Å; K617-F633 HydrophobicContact CB-CD1 4.18Å; K617-F633 HydrophobicContact CB-CE1 3.63Å; K617-F633 HydrophobicContact CB-CZ 4.42Å; K617-F633 HydrophobicContact CD-CD1 4.48Å; K617-H634 PolarHBondContact NZ-CD2 3.48Å; K617-H634 VanDerWaalsContact NZ-CD2 3.33Å; K617-H634 PolarHBondContact NZ-NE2 3.18Å |
| 618 | S | 86 | Confident | 89.3 | Confident | 52 Ų | 52 | 92.1 Ų | 92.1 | 36% | 0.364 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -108.1 | -26.1 | -178 | 67.7 | 0 | 0 | 0 | 0 | 113.5 | N614 E615 F616 R628 | N614-S618 PolarHBondContact O-N 3.32Å; N614-S618 VanDerWaalsContact O-N 3.14Å; N614-S618 PolarHBondContact O-OG 2.85Å; E615-S618 PolarHBondContact O-N 2.89Å; E615-S618 PolarHBondContact O-OG 3.08Å; F616-S618 VanDerWaalsContact C-N 3.25Å; F616-S618 PolarHBondContact O-N 2.8Å; S618-R628 PolarHBondContact O-NH2 2.87Å |
| 619 | T | 85.3 | Confident | 89 | Confident | 114 Ų | 114 | 96.6 Ų | 96.6 | 70% | 0.699 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -115.8 | -33.3 | -175.6 | 59.1 | 0 | 0 | 0 | 0 | 115.5 | E615 | E615-T619 PolarHBondContact O-N 2.86Å; E615-T619 PolarHBondContact O-OG1 3.43Å |
| 620 | E | 86.9 | Confident | 88.9 | Confident | 139 Ų | 139 | 99.6 Ų | 99.6 | 65% | 0.65 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | -35.4 | -167 | -168 | 174.5 | 163.3 | 0 | 0 | 113.2 | F616 E622 | F616-E620 HydrophobicContact CD2-CB 3.86Å; F616-E620 HydrophobicContact CD2-CG 4.02Å; F616-E620 VanDerWaalsContact CD2-OE2 3.28Å; F616-E620 WeakPolarHBondContact CD2-OE2 3.28Å; F616-E620 HydrophobicContact CE2-CB 4.06Å; F616-E620 HydrophobicContact CE2-CG 3.78Å; F616-E620 WeakPolarHBondContact CE2-OE1 3.28Å; F616-E620 HydrophobicContact CG-CB 4.36Å; F616-E620 PolarHBondContact O-N 2.83Å; E620-E622 PolarHBondContact O-N 3.45Å; E620-E622 VanDerWaalsContact O-N 3.14Å |
| 621 | M | 83 | Confident | 88.6 | Confident | 79 Ų | 79 | 97.1 Ų | 97.1 | 39% | 0.389 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -77 | 97.4 | 172.8 | -171 | 179.9 | 74.5 | 0 | 0 | 110.1 | F616 K617 V623 T631 | F616-M621 HydrophobicContact CD1-CB 4.18Å; F616-M621 HydrophobicContact CE1-CB 3.97Å; F616-M621 PolarHBondContact O-N 2.86Å; K617-M621 HydrophobicContact CB-CE 4.23Å; K617-M621 HydrophobicContact CG-CE 3.94Å; K617-M621 HydrophobicContact CG-SD 4.46Å; M621-V623 HydrophobicContact CE-CG2 3.73Å; M621-V623 HydrophobicContact CG-CG2 4.34Å; M621-V623 PolarHBondContact O-N 2.99Å; M621-T631 HydrophobicContact CE-CG2 4.08Å |
| 622 | E | 84.4 | Confident | 88.6 | Confident | 196 Ų | 196 | 101.5 Ų | 101.5 | 92% | 0.916 | 50% | 0.497 | S | S | * | . | trans | -62.5 | 121.8 | 175.8 | -170.8 | 173.3 | -156.8 | 0 | 0 | 111.1 | E620 | E620-E622 PolarHBondContact O-N 3.45Å; E620-E622 VanDerWaalsContact O-N 3.14Å | ||
| 623 | V | 85.8 | Confident | 88.4 | Confident | 44 Ų | 44 | 100 Ų | 100 | 27% | 0.267 | 49% | 0.488 | S | S | . | . | trans | -129.3 | 129.2 | 177.6 | 178.6 | 0 | 0 | 0 | 0 | 108.3 | M621 E625 | M621-V623 HydrophobicContact CE-CG2 3.73Å; M621-V623 HydrophobicContact CG-CG2 4.34Å; M621-V623 PolarHBondContact O-N 2.99Å; V623-E625 PolarHBondContact O-N 2.75Å | ||
| 624 | H | 86.4 | Confident | 88.3 | Confident | 146 Ų | 146 | 100 Ų | 100 | 68% | 0.676 | 49% | 0.486 | S | S | * | . | trans | -51.5 | 129.2 | 177.6 | -170.8 | -89.4 | 0 | 0 | 0 | 111.2 | S626 S627 R628 | H624-S626 VanDerWaalsContact C-N 3.29Å; H624-S626 PolarHBondContact CE1-OG 3.38Å; H624-S626 PolarHBondContact ND1-OG 3.26Å; H624-S626 PolarHBondContact O-N 3.36Å; H624-S626 VanDerWaalsContact O-N 3.11Å; H624-S627 WeakPolarHBondContact O-CA 3.35Å; H624-S627 WeakPolarHBondContact O-CB 3.26Å; H624-S627 PolarHBondContact O-N 3.23Å; H624-R628 PolarHBondContact O-N 3.29Å | ||
| 625 | E | 86.6 | Confident | 87.9 | Confident | 130 Ų | 130 | 109 Ų | 109 | 61% | 0.607 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -56.2 | -39.2 | -163 | -170.8 | 60.9 | -158.9 | 0 | 0 | 113.2 | V623 S627 R628 | V623-E625 PolarHBondContact O-N 2.75Å; E625-S627 PolarHBondContact O-N 3.2Å; E625-R628 WeakPolarHBondContact O-CB 3.3Å; E625-R628 PolarHBondContact O-N 3.45Å; E625-R628 IonicContact OE1-NH1 2.87Å; E625-R628 VanDerWaalsContact OE2-CD 3.28Å; E625-R628 WeakPolarHBondContact OE2-CD 3.34Å; E625-R628 IonicContact OE2-CZ 2.66Å; E625-R628 IonicContact OE2-NH1 3.83Å; E625-R628 PolarHBondContact OE2-NH1 3.35Å |
| 626 | S | 88.3 | Confident | 86.7 | Confident | 77 Ų | 77 | 111.8 Ų | 111.8 | 54% | 0.538 | 54% | 0.544 | S | S | . | . | G | 310 helix | trans | -61.5 | -24.1 | 175.7 | 62.8 | 0 | 0 | 0 | 0 | 114.5 | H624 H629 | H624-S626 VanDerWaalsContact C-N 3.29Å; H624-S626 PolarHBondContact CE1-OG 3.38Å; H624-S626 PolarHBondContact ND1-OG 3.26Å; H624-S626 PolarHBondContact O-N 3.36Å; H624-S626 VanDerWaalsContact O-N 3.11Å; S626-H629 PolarHBondContact O-CE1 3.36Å; S626-H629 PolarHBondContact O-ND1 3.4Å |
| 627 | S | 89.2 | Confident | 86.5 | Confident | 49 Ų | 49 | 112.6 Ų | 112.6 | 34% | 0.343 | 55% | 0.55 | S | S | . | * | G | 310 helix | trans | -99.6 | -9.6 | 179.9 | -61.9 | 0 | 0 | 0 | 0 | 113.3 | H624 E625 H629 L630 | H624-S627 WeakPolarHBondContact O-CA 3.35Å; H624-S627 WeakPolarHBondContact O-CB 3.26Å; H624-S627 PolarHBondContact O-N 3.23Å; E625-S627 PolarHBondContact O-N 3.2Å; S627-H629 PolarHBondContact O-N 3.04Å; S627-H629 VanDerWaalsContact O-N 3.11Å; S627-L630 WeakPolarHBondContact O-CB 3.41Å; S627-L630 PolarHBondContact O-N 2.96Å |
| 628 | R | 86.8 | Confident | 86.3 | Confident | 122 Ų | 122 | 116.1 Ų | 116.1 | 46% | 0.46 | 57% | 0.568 | S | S | . | * | G | 310 helix | trans | -56.4 | -31.2 | -174.9 | -166.2 | 173.6 | -169.1 | 164.8 | 4.7 | 113.5 | S618 H624 E625 L630 T631 | S618-R628 PolarHBondContact O-NH2 2.87Å; H624-R628 PolarHBondContact O-N 3.29Å; E625-R628 WeakPolarHBondContact O-CB 3.3Å; E625-R628 PolarHBondContact O-N 3.45Å; E625-R628 IonicContact OE1-NH1 2.87Å; E625-R628 VanDerWaalsContact OE2-CD 3.28Å; E625-R628 WeakPolarHBondContact OE2-CD 3.34Å; E625-R628 IonicContact OE2-CZ 2.66Å; E625-R628 IonicContact OE2-NH1 3.83Å; E625-R628 PolarHBondContact OE2-NH1 3.35Å; R628-L630 PolarHBondContact O-N 3.35Å; R628-T631 WeakPolarHBondContact O-CB 3.39Å; R628-T631 PolarHBondContact O-N 3.32Å; R628-T631 PolarHBondContact O-OG1 2.65Å |
| 629 | H | 85.2 | Confident | 86.3 | Confident | 150 Ų | 150 | 119.7 Ų | 119.7 | 69% | 0.694 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -66.4 | -13.9 | 176.3 | 74.4 | -89.3 | 0 | 0 | 0 | 114.6 | S626 S627 | S626-H629 PolarHBondContact O-CE1 3.36Å; S626-H629 PolarHBondContact O-ND1 3.4Å; S627-H629 PolarHBondContact O-N 3.04Å; S627-H629 VanDerWaalsContact O-N 3.11Å |
| 630 | L | 89.6 | Confident | 86.3 | Confident | 123 Ų | 123 | 120 Ų | 120 | 64% | 0.644 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -88.2 | -9 | 176.2 | -57.9 | 173.9 | 0 | 0 | 0 | 112.8 | S627 R628 R632 | S627-L630 WeakPolarHBondContact O-CB 3.41Å; S627-L630 PolarHBondContact O-N 2.96Å; R628-L630 PolarHBondContact O-N 3.35Å; L630-R632 PolarHBondContact O-N 2.83Å; L630-R632 VanDerWaalsContact O-N 3.16Å |
| 631 | T | 88.7 | Confident | 86.3 | Confident | 26 Ų | 26 | 118.8 Ų | 118.8 | 16% | 0.16 | 57% | 0.568 | C | S | . | * | trans | -66.1 | 112.7 | -177.9 | -59.4 | 0 | 0 | 0 | 0 | 111.2 | K617 M621 R628 F633 | K617-T631 HydrophobicContact CB-CG2 4.07Å; K617-T631 HydrophobicContact CD-CG2 4.36Å; K617-T631 HydrophobicContact CG-CG2 4.47Å; M621-T631 HydrophobicContact CE-CG2 4.08Å; R628-T631 WeakPolarHBondContact O-CB 3.39Å; R628-T631 PolarHBondContact O-N 3.32Å; R628-T631 PolarHBondContact O-OG1 2.65Å; T631-F633 HydrophobicContact CG2-CE1 4.12Å; T631-F633 HydrophobicContact CG2-CE2 3.85Å; T631-F633 HydrophobicContact CG2-CZ 3.62Å; T631-F633 VanDerWaalsContact O-CD2 3.23Å; T631-F633 WeakPolarHBondContact O-CD2 3.36Å; T631-F633 WeakPolarHBondContact O-CE2 3.36Å; T631-F633 PolarHBondContact O-N 2.62Å | ||
| 632 | R | 92 | Very high | 86.5 | Confident | 218 Ų | 218 | 121.5 Ų | 121.5 | 82% | 0.823 | 58% | 0.58 | S | S | * | * | trans | -86.6 | 102.2 | -177.5 | -174.9 | 174.3 | 167.5 | -174.5 | -5.4 | 112.1 | K617 L630 | K617-R632 PolarHBondContact NZ-O 2.81Å; L630-R632 PolarHBondContact O-N 2.83Å; L630-R632 VanDerWaalsContact O-N 3.16Å | ||
| 633 | F | 91.6 | Very high | 86.7 | Confident | 96 Ų | 96 | 116.1 Ų | 116.1 | 42% | 0.421 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -74.3 | 151.7 | 170 | -60.1 | -78.8 | 0 | 0 | 0 | 112.2 | N614 K617 T631 | N614-F633 HydrophobicContact CB-CD1 3.95Å; N614-F633 WeakPolarHBondContact O-CE1 3.49Å; N614-F633 WeakPolarHBondContact OD1-CA 3.35Å; N614-F633 WeakPolarHBondContact OD1-CB 3.37Å; K617-F633 HydrophobicContact CB-CD1 4.18Å; K617-F633 HydrophobicContact CB-CE1 3.63Å; K617-F633 HydrophobicContact CB-CZ 4.42Å; K617-F633 HydrophobicContact CD-CD1 4.48Å; T631-F633 HydrophobicContact CG2-CE1 4.12Å; T631-F633 HydrophobicContact CG2-CE2 3.85Å; T631-F633 HydrophobicContact CG2-CZ 3.62Å; T631-F633 VanDerWaalsContact O-CD2 3.23Å; T631-F633 WeakPolarHBondContact O-CD2 3.36Å; T631-F633 WeakPolarHBondContact O-CE2 3.36Å; T631-F633 PolarHBondContact O-N 2.62Å |
| 634 | H | 90.6 | Very high | 86.7 | Confident | 77 Ų | 77 | 121.7 Ų | 121.7 | 36% | 0.356 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -74.9 | 150.8 | 166.6 | -58.9 | -86.6 | 0 | 0 | 0 | 109.3 | R610 N614 K617 | R610-H634 HydrophobicContact CB-CB 4.1Å; R610-H634 HydrophobicContact CG-CB 3.99Å; N614-H634 PolarHBondContact ND2-O 3.38Å; N614-H634 PolarHBondContact OD1-CD2 3.09Å; N614-H634 PolarHBondContact OD1-N 3.29Å; K617-H634 PolarHBondContact NZ-CD2 3.48Å; K617-H634 VanDerWaalsContact NZ-CD2 3.33Å; K617-H634 PolarHBondContact NZ-NE2 3.18Å |
| 635 | R | 85.1 | Confident | 86.8 | Confident | 219 Ų | 219 | 119.7 Ų | 119.7 | 83% | 0.826 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 148.8 | 167.3 | -67.3 | -177.9 | 177.7 | 178 | -2 | 109.5 | R610 | R610-R635 PolarHBondContact NH1-O 3.12Š|
| 636 | P | 67.4 | Low | 86.8 | Confident | 149 Ų | 149 | 118.7 Ų | 118.7 | 97% | 0.968 | 57% | 0.567 | S | S | * | * | trans | -49.7 | 0 | 164.1 | -26.3 | 35.9 | 0 | 0 | 0 | 112.8 | R610 | R610-P636 PolarHBondContact NH1-O 2.82Å; R610-P636 PolarHBondContact NH1-OXT 3.46Å; R610-P636 PolarHBondContact NH2-OXT 3.13Å |
Retrieved 636 of 636 residues in 118.6 ms
(Link to these results)