| 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 | 35.9 | Very low | 45.9 | Very low | 233 Ų | 233 | 151.6 Ų | 151.6 | 100% | 1.148 | 84% | 0.841 | S | S | * | * | 0 | 95.9 | 0 | -65.8 | 174.5 | 179.9 | 0 | 0 | 105 | |||||
| 2 | E | 38.3 | Very low | 44.7 | Very low | 169 Ų | 169 | 149.4 Ų | 149.4 | 79% | 0.79 | 84% | 0.841 | S | S | * | * | 73.1 | 127.1 | 99.8 | -110.3 | -169.8 | 122.9 | 0 | 0 | 109.6 | |||||
| 3 | I | 48.1 | Very low | 43.9 | Very low | 139 Ų | 139 | 143.3 Ų | 143.3 | 71% | 0.713 | 83% | 0.832 | S | S | * | * | cis | -174.5 | 149.9 | -1.7 | 22.3 | 169.5 | 0 | 0 | 0 | 103.9 | ||||
| 4 | T | 46.1 | Very low | 43.9 | Very low | 132 Ų | 132 | 149.7 Ų | 149.7 | 81% | 0.81 | 84% | 0.838 | S | S | * | * | trans | -74.8 | 157.9 | 160.2 | 43.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 5 | P | 60.2 | Low | 43.7 | Very low | 118 Ų | 118 | 147.8 Ų | 147.8 | 77% | 0.766 | 84% | 0.838 | S | S | * | * | -145 | 145.5 | 106 | 33 | -15.5 | 0 | 0 | 0 | 111.9 | |||||
| 6 | K | 41.7 | Very low | 43.6 | Very low | 199 Ų | 199 | 145.4 Ų | 145.4 | 87% | 0.865 | 83% | 0.834 | S | S | * | * | 69.3 | 105.8 | 62.8 | -155 | 173.5 | -174.7 | 175.4 | 0 | 116.5 | |||||
| 7 | A | 47.8 | Very low | 44 | Very low | 95 Ų | 95 | 144.3 Ų | 144.3 | 79% | 0.785 | 83% | 0.833 | S | S | * | * | trans | 66.7 | 136.7 | 142.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 8 | A | 46.8 | Very low | 43.5 | Very low | 100 Ų | 100 | 139.9 Ų | 139.9 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | -166.3 | 125.4 | 126.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 9 | K | 51 | Low | 43.1 | Very low | 205 Ų | 205 | 138.7 Ų | 138.7 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | trans | -92.2 | 133.6 | 157.9 | -97.4 | 178.9 | 172.9 | 178.5 | 0 | 107.7 | ||||
| 10 | L | 50.8 | Low | 42.9 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 86% | 0.859 | 83% | 0.826 | S | S | * | * | trans | -153.8 | 111.6 | 157.7 | -66.1 | 175.7 | 0 | 0 | 0 | 105.6 | ||||
| 11 | S | 38.5 | Very low | 43 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | 69 | 113.3 | 60.9 | -168.2 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 12 | C | 30.9 | Very low | 43 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | 73.6 | 137.1 | 143.2 | -155.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 13 | G | 34.4 | Very low | 43.5 | Very low | 70 Ų | 70 | 132.8 Ų | 132.8 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | trans | 161.5 | 78.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 14 | Y | 43.9 | Very low | 43.7 | Very low | 233 Ų | 233 | 131.5 Ų | 131.5 | 91% | 0.914 | 81% | 0.813 | S | S | * | * | trans | -59.8 | 142 | 157.9 | -87.7 | -98.5 | 0 | 0 | 0 | 109.9 | ||||
| 15 | S | 40.9 | Very low | 43.1 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -162.4 | 115.4 | 146.7 | -80.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 16 | S | 42.9 | Very low | 41.7 | Very low | 110 Ų | 110 | 133 Ų | 133 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -78.9 | 149.8 | 157.6 | 177.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 17 | P | 49.9 | Very low | 41.8 | Very low | 126 Ų | 126 | 131.8 Ų | 131.8 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -121.7 | 122.3 | 149.1 | 26 | -10 | 0 | 0 | 0 | 110.2 | ||||
| 18 | G | 34.2 | Very low | 41.3 | Very low | 66 Ų | 66 | 136 Ų | 136 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | trans | -90.5 | 178 | 160.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 19 | S | 37 | Very low | 41.5 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | 88.9 | 114.2 | 169.8 | -152.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 20 | V | 38.5 | Very low | 41.1 | Very low | 142 Ų | 142 | 136.2 Ų | 136.2 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | -160 | 135.6 | 96.7 | 175.3 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 21 | E | 44.7 | Very low | 41.3 | Very low | 175 Ų | 175 | 137.1 Ų | 137.1 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -78.4 | 142.1 | 178.1 | -175.4 | -177 | 172.1 | 0 | 0 | 112 | ||||
| 22 | S | 35.8 | Very low | 41.7 | Very low | 123 Ų | 123 | 138 Ų | 138 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -168.7 | 116.6 | 152.2 | -78.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 23 | S | 48.9 | Very low | 43 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -94.6 | 171.4 | 156.3 | -128.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 24 | P | 52.3 | Low | 44.1 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | cis | -142.2 | 178.6 | 15.7 | 39.6 | -18.5 | 0 | 0 | 0 | 116.9 | ||||
| 25 | S | 33.5 | Very low | 45.5 | Very low | 106 Ų | 106 | 133 Ų | 133 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | trans | 71.9 | 113.8 | 149.6 | -165.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 26 | E | 31.5 | Very low | 47.3 | Very low | 176 Ų | 176 | 131.5 Ų | 131.5 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | 176.6 | 133 | 102.4 | -94.9 | -169.5 | 161.5 | 0 | 0 | 110.6 | K28 | E26-K28 PolarHBondContact O-N 3.12Š| |||
| 27 | F | 43.2 | Very low | 49.3 | Very low | 172 Ų | 172 | 129.7 Ų | 129.7 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | trans | -77.3 | 114.6 | 176.7 | -173.6 | -96.1 | 0 | 0 | 0 | 109.6 | E29 | F27-E29 HydrophobicContact CE1-CB 3.78Å; F27-E29 HydrophobicContact CZ-CB 3.9Å; F27-E29 HydrophobicContact CZ-CG 4.35Å | ||
| 28 | K | 38.5 | Very low | 50.6 | Low | 185 Ų | 185 | 127.5 Ų | 127.5 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | -129.6 | 105.3 | 152.3 | -76.8 | -169 | -179.7 | 178.6 | 0 | 109.1 | E26 E30 | E26-K28 PolarHBondContact O-N 3.12Å; K28-E30 PolarHBondContact O-N 2.95Å | ||
| 29 | E | 49.7 | Very low | 52.7 | Low | 166 Ų | 166 | 127.9 Ų | 127.9 | 78% | 0.776 | 72% | 0.717 | S | S | * | * | trans | -66.8 | 94.1 | 168.8 | -166.1 | 170.1 | -147.7 | 0 | 0 | 108 | F27 | F27-E29 HydrophobicContact CE1-CB 3.78Å; F27-E29 HydrophobicContact CZ-CB 3.9Å; F27-E29 HydrophobicContact CZ-CG 4.35Å | ||
| 30 | E | 43 | Very low | 54.6 | Low | 143 Ų | 143 | 125.5 Ų | 125.5 | 67% | 0.668 | 70% | 0.695 | S | S | * | * | trans | -122.4 | 102.1 | 174.6 | -135.3 | 176.8 | -148.7 | 0 | 0 | 108.7 | K28 H32 | K28-E30 PolarHBondContact O-N 2.95Å; E30-H32 VanDerWaalsContact CD-NE2 3.33Å; E30-H32 PolarHBondContact O-CD2 2.92Å; E30-H32 PolarHBondContact O-N 3.29Å; E30-H32 IonicContact OE2-CD2 2.76Å; E30-H32 IonicContact OE2-CE1 3.47Å; E30-H32 IonicContact OE2-NE2 2.72Å; E30-H32 PolarHBondContact OE2-NE2 3.13Å | ||
| 31 | K | 55.1 | Low | 56.7 | Low | 182 Ų | 182 | 125.1 Ų | 125.1 | 79% | 0.791 | 68% | 0.678 | S | S | * | * | trans | -68.5 | 74.5 | -180 | -167.1 | 177.8 | -175.7 | 177.7 | 0 | 109.8 | H33 | K31-H33 PolarHBondContact O-N 3.44Š| ||
| 32 | H | 47.8 | Very low | 58.3 | Low | 132 Ų | 132 | 122.8 Ų | 122.8 | 61% | 0.611 | 67% | 0.667 | S | S | * | * | trans | -84.9 | 103.7 | 167.1 | -68.8 | -76.8 | 0 | 0 | 0 | 107.8 | E30 S34 | E30-H32 VanDerWaalsContact CD-NE2 3.33Å; E30-H32 PolarHBondContact O-CD2 2.92Å; E30-H32 PolarHBondContact O-N 3.29Å; E30-H32 IonicContact OE2-CD2 2.76Å; E30-H32 IonicContact OE2-CE1 3.47Å; E30-H32 IonicContact OE2-NE2 2.72Å; E30-H32 PolarHBondContact OE2-NE2 3.13Å; H32-S34 VanDerWaalsContact C-N 3.27Å; H32-S34 PolarHBondContact O-N 3.44Å | ||
| 33 | H | 57 | Low | 60.3 | Low | 162 Ų | 162 | 125.4 Ų | 125.4 | 75% | 0.75 | 66% | 0.658 | S | S | * | * | trans | -56.7 | 102 | 158.4 | -68.7 | -71.8 | 0 | 0 | 0 | 106.4 | K31 G35 | K31-H33 PolarHBondContact O-N 3.44Å; H33-G35 PolarHBondContact O-N 3.04Å | ||
| 34 | S | 56.8 | Low | 61.6 | Low | 111 Ų | 111 | 124.1 Ų | 124.1 | 78% | 0.776 | 64% | 0.641 | S | S | * | * | trans | -68.7 | 79 | -175.8 | 71.4 | 0 | 0 | 0 | 0 | 109 | H32 L36 | H32-S34 VanDerWaalsContact C-N 3.27Å; H32-S34 PolarHBondContact O-N 3.44Å; S34-L36 PolarHBondContact O-N 3.42Å | ||
| 35 | G | 73.5 | Confident | 62.6 | Low | 50 Ų | 50 | 127 Ų | 127 | 52% | 0.515 | 64% | 0.642 | S | S | . | * | trans | -60.7 | 124 | 167.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | H33 S37 | H33-G35 PolarHBondContact O-N 3.04Å; G35-S37 PolarHBondContact O-N 3.33Å | ||
| 36 | L | 80.3 | Confident | 64.2 | Low | 90 Ų | 90 | 131.6 Ų | 131.6 | 47% | 0.471 | 64% | 0.644 | S | S | . | * | trans | -45.5 | 139.5 | 178.7 | -54.4 | 171.1 | 0 | 0 | 0 | 111.1 | S34 L40 R41 L44 | S34-L36 PolarHBondContact O-N 3.42Å; L36-L40 HydrophobicContact CB-CD2 4.16Å; L36-L40 HydrophobicContact CD2-CD2 3.8Å; L36-L40 HydrophobicContact CG-CD2 4.44Å; L36-R41 HydrophobicContact CB-CG 4Å; L36-R41 PolarHBondContact O-NE 3.02Å; L36-L44 HydrophobicContact CD1-CD1 3.85Å | ||
| 37 | S | 84.9 | Confident | 65.8 | Low | 72 Ų | 72 | 128 Ų | 128 | 50% | 0.503 | 63% | 0.634 | S | S | . | * | trans | -57 | 151.2 | 178.8 | 70.2 | 0 | 0 | 0 | 0 | 111.6 | G35 S39 L40 R41 | G35-S37 PolarHBondContact O-N 3.33Å; S37-S39 PolarHBondContact O-N 3.05Å; S37-L40 PolarHBondContact O-N 2.84Å; S37-L40 WeakPolarHBondContact OG-CB 3.49Å; S37-L40 PolarHBondContact OG-N 3.01Å; S37-R41 WeakPolarHBondContact O-CG 3.42Å; S37-R41 PolarHBondContact O-N 3.32Å | ||
| 38 | A | 76.5 | Confident | 66.8 | Low | 81 Ų | 81 | 131 Ų | 131 | 67% | 0.669 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -55 | -40.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R41 E42 | A38-R41 PolarHBondContact O-N 3.45Å; A38-E42 PolarHBondContact O-N 2.7Å |
| 39 | S | 78.8 | Confident | 67.9 | Low | 73 Ų | 73 | 133.3 Ų | 133.3 | 51% | 0.51 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -62.7 | -42.3 | 175.3 | 179.5 | 0 | 0 | 0 | 0 | 112.4 | S37 E42 R43 | S37-S39 PolarHBondContact O-N 3.05Å; S39-E42 PolarHBondContact O-N 3.4Å; S39-R43 WeakPolarHBondContact O-CB 3.25Å; S39-R43 WeakPolarHBondContact O-CG 3.3Å; S39-R43 PolarHBondContact O-N 3.47Å |
| 40 | L | 75.4 | Confident | 68.5 | Low | 67 Ų | 67 | 129.4 Ų | 129.4 | 35% | 0.351 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -68.1 | -38.3 | 177.4 | -174.6 | 60.1 | 0 | 0 | 0 | 111.4 | L36 S37 E42 R43 L44 | L36-L40 HydrophobicContact CB-CD2 4.16Å; L36-L40 HydrophobicContact CD2-CD2 3.8Å; L36-L40 HydrophobicContact CG-CD2 4.44Å; S37-L40 PolarHBondContact O-N 2.84Å; S37-L40 WeakPolarHBondContact OG-CB 3.49Å; S37-L40 PolarHBondContact OG-N 3.01Å; L40-E42 VanDerWaalsContact C-N 3.35Å; L40-E42 PolarHBondContact O-N 2.72Å; L40-R43 PolarHBondContact O-N 3.47Å; L40-L44 HydrophobicContact CD1-CD1 4.44Å; L40-L44 HydrophobicContact CD1-CG 4.4Å; L40-L44 HydrophobicContact CG-CD1 4.12Å; L40-L44 WeakPolarHBondContact O-CB 3.37Å; L40-L44 VanDerWaalsContact O-CG 3.23Å; L40-L44 WeakPolarHBondContact O-CG 3.18Å; L40-L44 PolarHBondContact O-N 2.8Å |
| 41 | R | 83.1 | Confident | 69.3 | Low | 135 Ų | 135 | 132.2 Ų | 132.2 | 51% | 0.509 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -61.4 | -42.3 | 173.4 | -68.7 | 178 | -177.4 | -164.2 | -5.9 | 111.7 | L36 S37 A38 K45 | L36-R41 HydrophobicContact CB-CG 4Å; L36-R41 PolarHBondContact O-NE 3.02Å; S37-R41 WeakPolarHBondContact O-CG 3.42Å; S37-R41 PolarHBondContact O-N 3.32Å; A38-R41 PolarHBondContact O-N 3.45Å; R41-K45 VanDerWaalsContact O-CG 3.31Å; R41-K45 WeakPolarHBondContact O-CG 3.15Å; R41-K45 PolarHBondContact O-N 3.42Å |
| 42 | E | 78.6 | Confident | 69.5 | Low | 126 Ų | 126 | 131.8 Ų | 131.8 | 59% | 0.589 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -66.5 | -44.9 | 178.1 | -169.3 | -175.7 | 165.2 | 0 | 0 | 111.8 | A38 S39 L40 L44 K45 R46 | A38-E42 PolarHBondContact O-N 2.7Å; S39-E42 PolarHBondContact O-N 3.4Å; L40-E42 VanDerWaalsContact C-N 3.35Å; L40-E42 PolarHBondContact O-N 2.72Å; E42-L44 PolarHBondContact O-N 3.35Å; E42-K45 PolarHBondContact O-N 3.3Å; E42-R46 PolarHBondContact O-N 3.03Å |
| 43 | R | 78.5 | Confident | 70 | Confident | 177 Ų | 177 | 128.5 Ų | 128.5 | 67% | 0.668 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -59.4 | -46.1 | 175.3 | -73.7 | 174.1 | 63.2 | 171.8 | -0.3 | 111.7 | S39 L40 K45 R46 T47 | S39-R43 WeakPolarHBondContact O-CB 3.25Å; S39-R43 WeakPolarHBondContact O-CG 3.3Å; S39-R43 PolarHBondContact O-N 3.47Å; L40-R43 PolarHBondContact O-N 3.47Å; R43-K45 PolarHBondContact O-N 3.11Å; R43-R46 PolarHBondContact O-N 2.95Å; R43-R46 VanDerWaalsContact O-N 3.11Å; R43-T47 PolarHBondContact O-N 3.38Å; R43-T47 PolarHBondContact O-OG1 2.9Å |
| 44 | L | 75.1 | Confident | 70.2 | Confident | 88 Ų | 88 | 126.9 Ų | 126.9 | 46% | 0.461 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -65.1 | -35.2 | 178.1 | -71.3 | 171.3 | 0 | 0 | 0 | 113.1 | L36 L40 E42 R46 T47 | L36-L44 HydrophobicContact CD1-CD1 3.85Å; L40-L44 HydrophobicContact CD1-CD1 4.44Å; L40-L44 HydrophobicContact CD1-CG 4.4Å; L40-L44 HydrophobicContact CG-CD1 4.12Å; L40-L44 WeakPolarHBondContact O-CB 3.37Å; L40-L44 VanDerWaalsContact O-CG 3.23Å; L40-L44 WeakPolarHBondContact O-CG 3.18Å; L40-L44 PolarHBondContact O-N 2.8Å; E42-L44 PolarHBondContact O-N 3.35Å; L44-R46 VanDerWaalsContact C-N 3.32Å; L44-T47 PolarHBondContact O-N 2.99Å |
| 45 | K | 73.3 | Confident | 70.3 | Confident | 172 Ų | 172 | 128 Ų | 128 | 75% | 0.748 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -63.2 | -39.9 | 171.5 | -75.8 | 175.3 | 179.4 | -175.4 | 0 | 111.3 | R41 E42 R43 | R41-K45 VanDerWaalsContact O-CG 3.31Å; R41-K45 WeakPolarHBondContact O-CG 3.15Å; R41-K45 PolarHBondContact O-N 3.42Å; E42-K45 PolarHBondContact O-N 3.3Å; R43-K45 PolarHBondContact O-N 3.11Å |
| 46 | R | 68.4 | Low | 69.7 | Low | 204 Ų | 204 | 131.1 Ų | 131.1 | 77% | 0.77 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -74.2 | -26.5 | -179.5 | -145.5 | 170.3 | -172.4 | 100.7 | 1.3 | 113.3 | E42 R43 L44 R48 | E42-R46 PolarHBondContact O-N 3.03Å; R43-R46 PolarHBondContact O-N 2.95Å; R43-R46 VanDerWaalsContact O-N 3.11Å; L44-R46 VanDerWaalsContact C-N 3.32Å; R46-R48 VanDerWaalsContact C-N 3.27Å; R46-R48 PolarHBondContact O-N 3.43Å |
| 47 | T | 64.8 | Low | 68.5 | Low | 101 Ų | 101 | 133.2 Ų | 133.2 | 62% | 0.62 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -8.6 | 176.7 | -59.3 | 0 | 0 | 0 | 0 | 113.8 | R43 L44 R49 | R43-T47 PolarHBondContact O-N 3.38Å; R43-T47 PolarHBondContact O-OG1 2.9Å; L44-T47 PolarHBondContact O-N 2.99Å; T47-R49 VanDerWaalsContact C-N 3.27Å; T47-R49 PolarHBondContact O-N 3.18Å; T47-R49 VanDerWaalsContact O-N 3.13Å |
| 48 | R | 63.4 | Low | 67.1 | Low | 233 Ų | 233 | 133.8 Ų | 133.8 | 88% | 0.879 | 68% | 0.681 | S | S | * | * | trans | -86.7 | 43.1 | 179.1 | -78.2 | -173.4 | 159.8 | -136.3 | -1.1 | 114.5 | R46 | R46-R48 VanDerWaalsContact C-N 3.27Å; R46-R48 PolarHBondContact O-N 3.43Å | ||
| 49 | R | 61.7 | Low | 66.7 | Low | 234 Ų | 234 | 139.4 Ų | 139.4 | 88% | 0.883 | 69% | 0.691 | S | S | * | * | trans | -138.1 | 53.4 | 171.1 | -156.4 | -174.5 | -174.1 | -157 | 1.9 | 112.5 | T47 | T47-R49 VanDerWaalsContact C-N 3.27Å; T47-R49 PolarHBondContact O-N 3.18Å; T47-R49 VanDerWaalsContact O-N 3.13Å | ||
| 50 | S | 63.3 | Low | 65.7 | Low | 84 Ų | 84 | 147 Ų | 147 | 59% | 0.587 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -155 | 55.7 | 167.5 | 66.4 | 0 | 0 | 0 | 0 | 112.1 | ||
| 51 | F | 58.3 | Low | 64.3 | Low | 203 Ų | 203 | 151.7 Ų | 151.7 | 89% | 0.89 | 73% | 0.733 | S | S | * | * | trans | -154.2 | 84.4 | 156 | -74.3 | -68.4 | 0 | 0 | 0 | 108 | S53 | F51-S53 VanDerWaalsContact C-N 3.3Å; F51-S53 PolarHBondContact O-N 3.45Å | ||
| 52 | I | 60.3 | Low | 62.7 | Low | 172 Ų | 172 | 150.6 Ų | 150.6 | 88% | 0.882 | 74% | 0.744 | S | S | * | * | trans | -92.2 | 80 | 159.4 | -55.3 | 178.1 | 0 | 0 | 0 | 104.8 | ||||
| 53 | S | 58.8 | Low | 61.2 | Low | 63 Ų | 63 | 150.1 Ų | 150.1 | 44% | 0.441 | 75% | 0.75 | S | S | . | * | trans | -81.2 | 132.2 | 161.7 | 173.6 | 0 | 0 | 0 | 0 | 106.7 | F51 L55 | F51-S53 VanDerWaalsContact C-N 3.3Å; F51-S53 PolarHBondContact O-N 3.45Å; S53-L55 PolarHBondContact O-N 2.88Å; S53-L55 VanDerWaalsContact O-N 3.09Å; S53-L55 PolarHBondContact OG-N 3.11Å; S53-L55 PolarHBondContact OG-O 3.31Å | ||
| 54 | P | 61.2 | Low | 60 | Low | 129 Ų | 129 | 147.6 Ų | 147.6 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -66.7 | -4.8 | 173.8 | 28 | -32.6 | 0 | 0 | 0 | 112.6 | ||
| 55 | L | 57.7 | Low | 58.9 | Low | 133 Ų | 133 | 150 Ų | 150 | 70% | 0.696 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -111.2 | 110.8 | 174.4 | -58.5 | 175.7 | 0 | 0 | 0 | 109 | S53 V57 | S53-L55 PolarHBondContact O-N 2.88Å; S53-L55 VanDerWaalsContact O-N 3.09Å; S53-L55 PolarHBondContact OG-N 3.11Å; S53-L55 PolarHBondContact OG-O 3.31Å; L55-V57 PolarHBondContact O-N 3.24Å |
| 56 | S | 62 | Low | 57.7 | Low | 117 Ų | 117 | 149.8 Ų | 149.8 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -55.8 | 106.5 | 167.6 | -179.7 | 0 | 0 | 0 | 0 | 108.5 | A58 | S56-A58 VanDerWaalsContact C-N 3.3Å; S56-A58 PolarHBondContact O-N 3.46Å | ||
| 57 | V | 54.8 | Low | 56.8 | Low | 133 Ų | 133 | 148.2 Ų | 148.2 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | trans | -68.2 | 98.4 | 168.9 | 179.2 | 0 | 0 | 0 | 0 | 105.9 | L55 K59 | L55-V57 PolarHBondContact O-N 3.24Å; V57-K59 PolarHBondContact O-N 3.34Å | ||
| 58 | A | 55.6 | Low | 55.6 | Low | 84 Ų | 84 | 152.4 Ų | 152.4 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | trans | -49.9 | 118 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | S56 R60 | S56-A58 VanDerWaalsContact C-N 3.3Å; S56-A58 PolarHBondContact O-N 3.46Å; A58-R60 PolarHBondContact O-N 2.82Å | ||
| 59 | K | 67.3 | Low | 54.7 | Low | 199 Ų | 199 | 148.9 Ų | 148.9 | 87% | 0.865 | 78% | 0.778 | S | S | * | * | trans | -54.2 | 126.6 | 167.7 | -72.8 | 171.4 | -179.7 | 166.2 | 0 | 107 | V57 | V57-K59 PolarHBondContact O-N 3.34Š| ||
| 60 | R | 58.7 | Low | 53.8 | Low | 234 Ų | 234 | 141.1 Ų | 141.1 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | 3 | 114.8 | 164.3 | -52.5 | 176.9 | -153.8 | -107.5 | 0.4 | 113.1 | A58 C62 | A58-R60 PolarHBondContact O-N 2.82Å; R60-C62 PolarHBondContact O-N 3.31Å | ||
| 61 | L | 45 | Very low | 52.7 | Low | 164 Ų | 164 | 143.1 Ų | 143.1 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | trans | -43.3 | 103.6 | 166.6 | -83.5 | 158.3 | 0 | 0 | 0 | 110 | V63 | L61-V63 HydrophobicContact CB-CG2 4.33Å; L61-V63 PolarHBondContact O-N 2.79Å | ||
| 62 | C | 51 | Low | 51.7 | Low | 112 Ų | 112 | 142.5 Ų | 142.5 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | trans | -73 | 105.1 | 148 | -73.3 | 0 | 0 | 0 | 0 | 104.3 | R60 D64 | R60-C62 PolarHBondContact O-N 3.31Å; C62-D64 PolarHBondContact O-N 2.93Å; C62-D64 VanDerWaalsContact O-N 3.1Å | ||
| 63 | V | 45.4 | Very low | 50.5 | Low | 117 Ų | 117 | 138.6 Ų | 138.6 | 71% | 0.709 | 77% | 0.767 | S | S | * | * | trans | -77.2 | 86 | 163.6 | -179.1 | 0 | 0 | 0 | 0 | 104.4 | L61 N65 | L61-V63 HydrophobicContact CB-CG2 4.33Å; L61-V63 PolarHBondContact O-N 2.79Å; V63-N65 PolarHBondContact O-N 3.2Å | ||
| 64 | D | 53.3 | Low | 49.4 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 66% | 0.658 | 79% | 0.785 | S | S | * | * | trans | -66.9 | 119.5 | 159.1 | -83.6 | -27.1 | 0 | 0 | 0 | 105.9 | C62 E66 | C62-D64 PolarHBondContact O-N 2.93Å; C62-D64 VanDerWaalsContact O-N 3.1Å; D64-E66 HydrophobicContact CB-CG 4.26Å; D64-E66 PolarHBondContact O-N 2.8Å | ||
| 65 | N | 52.6 | Low | 48.3 | Very low | 140 Ų | 140 | 139.9 Ų | 139.9 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | trans | -73.7 | 79.9 | 174.2 | -171.4 | 59.9 | 0 | 0 | 0 | 106.9 | V63 E67 | V63-N65 PolarHBondContact O-N 3.2Å; N65-E67 VanDerWaalsContact C-N 3.33Å; N65-E67 PolarHBondContact O-N 3.06Å; N65-E67 VanDerWaalsContact O-N 3.13Å | ||
| 66 | E | 48.7 | Very low | 46.9 | Very low | 166 Ų | 166 | 142.1 Ų | 142.1 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -77.9 | 91.9 | 169.1 | -56 | -169.3 | 173.8 | 0 | 0 | 106.8 | D64 E68 | D64-E66 HydrophobicContact CB-CG 4.26Å; D64-E66 PolarHBondContact O-N 2.8Å; E66-E68 PolarHBondContact O-N 2.61Å | ||
| 67 | E | 48.8 | Very low | 45.6 | Very low | 171 Ų | 171 | 142.4 Ų | 142.4 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | trans | -59 | 110.9 | 159.9 | -146.2 | 161.9 | -168.2 | 0 | 0 | 105.6 | N65 D69 | N65-E67 VanDerWaalsContact C-N 3.33Å; N65-E67 PolarHBondContact O-N 3.06Å; N65-E67 VanDerWaalsContact O-N 3.13Å; E67-D69 PolarHBondContact O-N 3.18Å | ||
| 68 | E | 40.3 | Very low | 44.8 | Very low | 190 Ų | 190 | 145.1 Ų | 145.1 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | -59.4 | 101.6 | 173.6 | -89.2 | -158.2 | 152.2 | 0 | 0 | 108.6 | E66 A70 | E66-E68 PolarHBondContact O-N 2.61Å; E68-A70 PolarHBondContact O-N 3.27Å | ||
| 69 | D | 44.7 | Very low | 43.6 | Very low | 159 Ų | 159 | 149.7 Ų | 149.7 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -70.1 | 114.7 | 152.3 | -119.4 | -17.3 | 0 | 0 | 0 | 106.7 | E67 | E67-D69 PolarHBondContact O-N 3.18Š| ||
| 70 | A | 43 | Very low | 42 | Very low | 70 Ų | 70 | 146.2 Ų | 146.2 | 58% | 0.579 | 80% | 0.797 | S | S | * | * | trans | -56 | 146.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E68 H72 | E68-A70 PolarHBondContact O-N 3.27Å; A70-H72 PolarHBondContact O-N 2.94Å | ||
| 71 | P | 38.8 | Very low | 41 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -67 | 111.1 | 175 | -15.6 | 28.8 | 0 | 0 | 0 | 110.8 | ||||
| 72 | H | 37.5 | Very low | 40.5 | Very low | 190 Ų | 190 | 138.9 Ų | 138.9 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | trans | -61.2 | 128.1 | 154.1 | -75.1 | -78.1 | 0 | 0 | 0 | 109.2 | A70 | A70-H72 PolarHBondContact O-N 2.94Š| ||
| 73 | A | 35.1 | Very low | 40 | Very low | 90 Ų | 90 | 139.7 Ų | 139.7 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | trans | -122.4 | 152.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 74 | P | 36.6 | Very low | 39.7 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -94 | 168.8 | -154.2 | 38.2 | -36.5 | 0 | 0 | 0 | 115.2 | ||||
| 75 | A | 36.8 | Very low | 39 | Very low | 93 Ų | 93 | 140.9 Ų | 140.9 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -23.6 | 155.7 | 168 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 76 | E | 28.3 | Very low | 38.5 | Very low | 180 Ų | 180 | 141.5 Ų | 141.5 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | cis | -157.1 | 160.7 | 25.7 | -68.6 | 176.6 | 148.3 | 0 | 0 | 108.7 | ||||
| 77 | S | 34.7 | Very low | 38.1 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | 166.7 | 143.5 | 119.4 | 43.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 78 | Q | 38.3 | Very low | 37.7 | Very low | 190 Ų | 190 | 137.9 Ų | 137.9 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | -68.2 | 145.8 | -168.9 | -56.5 | 164.4 | -58.5 | 0 | 0 | 113.1 | ||||
| 79 | E | 31.1 | Very low | 37.8 | Very low | 180 Ų | 180 | 137 Ų | 137 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | -161.6 | 130.5 | 124.1 | -146.3 | 166.4 | 166.2 | 0 | 0 | 112.4 | |||||
| 80 | T | 33.7 | Very low | 37.4 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | -86.3 | 122.9 | 179.6 | 45.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 81 | I | 38.3 | Very low | 37.2 | Very low | 156 Ų | 156 | 135.2 Ų | 135.2 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | trans | -141.3 | 104.2 | 156 | -55.9 | -177.9 | 0 | 0 | 0 | 111.6 | ||||
| 82 | A | 33.4 | Very low | 37.3 | Very low | 87 Ų | 87 | 138.6 Ų | 138.6 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | trans | 18.2 | 119 | 143.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 83 | V | 40.1 | Very low | 37.3 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 78% | 0.782 | 80% | 0.803 | S | S | * | * | trans | 4.5 | 125.9 | 130.1 | -175.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 84 | H | 39.4 | Very low | 37.6 | Very low | 149 Ų | 149 | 141 Ų | 141 | 69% | 0.69 | 81% | 0.805 | S | S | * | * | trans | -139.7 | 84.4 | 143.6 | -166.4 | -81.1 | 0 | 0 | 0 | 110.5 | M86 | H84-M86 WeakPolarHBondContact CE1-CG 3.15Å; H84-M86 PolarHBondContact CE1-SD 3.38Å | ||
| 85 | T | 40 | Very low | 37.6 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 71% | 0.712 | 81% | 0.81 | S | S | * | * | trans | -83.2 | 122.4 | 158.2 | -35.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 86 | M | 41.1 | Very low | 37.3 | Very low | 153 Ų | 153 | 142 Ų | 142 | 75% | 0.754 | 81% | 0.806 | S | S | * | * | trans | -132.3 | 114.2 | 160.1 | -83.5 | -161.9 | 169.5 | 0 | 0 | 109.7 | H84 | H84-M86 WeakPolarHBondContact CE1-CG 3.15Å; H84-M86 PolarHBondContact CE1-SD 3.38Å | ||
| 87 | D | 39.4 | Very low | 38.3 | Very low | 159 Ų | 159 | 138.7 Ų | 138.7 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | -66 | 138.2 | 159 | -76 | -44.4 | 0 | 0 | 0 | 109.9 | ||||
| 88 | A | 42.1 | Very low | 38.5 | Very low | 102 Ų | 102 | 141.6 Ų | 141.6 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -137.7 | 92.9 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 89 | N | 42.1 | Very low | 38.7 | Very low | 171 Ų | 171 | 143.6 Ų | 143.6 | 91% | 0.914 | 80% | 0.801 | S | S | * | * | trans | -21.3 | 138.1 | 157.5 | -147.3 | 3.3 | 0 | 0 | 0 | 116.1 | ||||
| 90 | G | 35.2 | Very low | 39.2 | Very low | 63 Ų | 63 | 142.6 Ų | 142.6 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | trans | -179.9 | 65.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 91 | T | 39.4 | Very low | 40 | Very low | 129 Ų | 129 | 141.5 Ų | 141.5 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | 52.4 | 106.7 | 146.1 | 36.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 92 | E | 41.1 | Very low | 40.2 | Very low | 198 Ų | 198 | 139.5 Ų | 139.5 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | trans | -69.9 | 124 | 150.7 | -78 | -172.9 | 114.1 | 0 | 0 | 110.7 | ||||
| 93 | V | 37.4 | Very low | 41 | Very low | 147 Ų | 147 | 143.1 Ų | 143.1 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | trans | -145.9 | 135.5 | 142.1 | -130.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 94 | K | 40.7 | Very low | 41.4 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | trans | -83.5 | 140.2 | -169.6 | 170.5 | 172.1 | 177.8 | 174 | 0 | 112.6 | ||||
| 95 | L | 36.1 | Very low | 41.7 | Very low | 175 Ų | 175 | 139.5 Ų | 139.5 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | 159.9 | 144.5 | 127.8 | -104.5 | 126.9 | 0 | 0 | 0 | 115.3 | |||||
| 96 | G | 32.3 | Very low | 42.1 | Very low | 66 Ų | 66 | 141.9 Ų | 141.9 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | trans | 103 | 90.7 | 159 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 97 | S | 48.5 | Very low | 42.7 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | 45.2 | 94.2 | 74.2 | -164.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 98 | E | 38.1 | Very low | 43.5 | Very low | 184 Ų | 184 | 137 Ų | 137 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | 173 | 113.7 | 115.2 | -88.4 | 176 | -179 | 0 | 0 | 113 | |||||
| 99 | R | 43.3 | Very low | 44.3 | Very low | 232 Ų | 232 | 140.9 Ų | 140.9 | 88% | 0.875 | 80% | 0.795 | S | S | * | * | trans | 37.1 | 121.1 | 140.7 | -168 | 178.6 | -83.6 | -150.2 | -2.6 | 120.5 | ||||
| 100 | L | 42.1 | Very low | 45.2 | Very low | 159 Ų | 159 | 138.5 Ų | 138.5 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | -173.3 | 147.5 | 112.4 | -94.3 | 168.8 | 0 | 0 | 0 | 111.5 | |||||
| 101 | P | 50.4 | Low | 46.9 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | trans | -90.4 | 118.6 | -173.7 | 34 | -27.1 | 0 | 0 | 0 | 111 | ||||
| 102 | S | 41.4 | Very low | 48.6 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -98.2 | 106.4 | 164.3 | -176.3 | 0 | 0 | 0 | 0 | 108.5 | A104 | S102-A104 PolarHBondContact O-N 2.91Š| ||
| 103 | L | 50.7 | Low | 50.4 | Low | 163 Ų | 163 | 130.2 Ų | 130.2 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | trans | -65.8 | 94.6 | 166.4 | -84.8 | 85.7 | 0 | 0 | 0 | 108.5 | ||||
| 104 | A | 48 | Very low | 52.8 | Low | 73 Ų | 73 | 127.7 Ų | 127.7 | 60% | 0.603 | 73% | 0.728 | S | S | * | * | trans | -85 | 132.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | S102 Q106 | S102-A104 PolarHBondContact O-N 2.91Å; A104-Q106 PolarHBondContact O-N 3.01Å | ||
| 105 | P | 47 | Very low | 55.1 | Low | 128 Ų | 128 | 124.9 Ų | 124.9 | 83% | 0.831 | 72% | 0.716 | S | S | * | * | trans | -64.9 | 105.7 | 173.7 | -10.8 | 25.2 | 0 | 0 | 0 | 108 | ||||
| 106 | Q | 47.1 | Very low | 57.7 | Low | 167 Ų | 167 | 118.7 Ų | 118.7 | 78% | 0.78 | 69% | 0.69 | S | S | * | * | trans | -58.3 | 126.3 | 171.6 | -75.2 | -74.7 | 23.7 | 0 | 0 | 108.2 | A104 S108 | A104-Q106 PolarHBondContact O-N 3.01Å; Q106-S108 PolarHBondContact O-N 3.05Å | ||
| 107 | P | 54.9 | Low | 60.6 | Low | 101 Ų | 101 | 120.8 Ų | 120.8 | 66% | 0.656 | 69% | 0.685 | S | S | * | * | trans | -59.3 | 116.8 | 168 | 24.7 | -29.9 | 0 | 0 | 0 | 106.4 | H109 | P107-H109 PolarHBondContact O-N 3.37Š| ||
| 108 | S | 54.9 | Low | 62.8 | Low | 107 Ų | 107 | 120.8 Ų | 120.8 | 75% | 0.748 | 67% | 0.673 | S | S | * | * | trans | -46.5 | 105.8 | 174.2 | 42.2 | 0 | 0 | 0 | 0 | 109 | Q106 I110 | Q106-S108 PolarHBondContact O-N 3.05Å; S108-I110 VanDerWaalsContact C-N 3.35Å; S108-I110 PolarHBondContact O-N 3.42Å | ||
| 109 | H | 60 | Low | 65.5 | Low | 185 Ų | 185 | 116 Ų | 116 | 86% | 0.856 | 65% | 0.653 | S | S | * | * | trans | -58.8 | 100.9 | 172.1 | -103 | -100.6 | 0 | 0 | 0 | 107 | P107 S111 | P107-H109 PolarHBondContact O-N 3.37Å; H109-S111 PolarHBondContact O-N 2.84Å | ||
| 110 | I | 60.3 | Low | 68 | Low | 121 Ų | 121 | 114 Ų | 114 | 62% | 0.621 | 65% | 0.646 | S | S | * | * | trans | -57.2 | 122.5 | 170.1 | -55.5 | 171.1 | 0 | 0 | 0 | 105.7 | S108 S112 D114 | S108-I110 VanDerWaalsContact C-N 3.35Å; S108-I110 PolarHBondContact O-N 3.42Å; I110-S112 PolarHBondContact O-N 3.15Å; I110-D114 HydrophobicContact CG2-CB 3.89Å | ||
| 111 | S | 71.8 | Confident | 70.6 | Confident | 71 Ų | 71 | 112 Ų | 112 | 50% | 0.497 | 63% | 0.63 | S | S | . | * | trans | -56.9 | 135.1 | 177.5 | 176.9 | 0 | 0 | 0 | 0 | 108.7 | H109 G113 D114 F115 | H109-S111 PolarHBondContact O-N 2.84Å; S111-G113 PolarHBondContact O-N 2.85Å; S111-D114 WeakPolarHBondContact O-CB 3.32Å; S111-D114 PolarHBondContact O-N 3.04Å; S111-F115 PolarHBondContact O-N 2.66Å | ||
| 112 | S | 74.1 | Confident | 72.9 | Confident | 104 Ų | 104 | 110.3 Ų | 110.3 | 73% | 0.727 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -51.3 | -30.1 | -179.3 | -180 | 0 | 0 | 0 | 0 | 112.7 | I110 A116 | I110-S112 PolarHBondContact O-N 3.15Å; S112-A116 PolarHBondContact O-N 3.06Å; S112-A116 VanDerWaalsContact O-N 3.13Å |
| 113 | G | 79.6 | Confident | 75.6 | Confident | 40 Ų | 40 | 108.8 Ų | 108.8 | 41% | 0.412 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68.1 | -39 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S111 F115 A116 L117 | S111-G113 PolarHBondContact O-N 2.85Å; G113-F115 VanDerWaalsContact C-N 3.33Å; G113-A116 PolarHBondContact O-N 3.07Å; G113-L117 WeakPolarHBondContact O-CG 3.43Å; G113-L117 PolarHBondContact O-N 3.49Å |
| 114 | D | 86.6 | Confident | 77.8 | Confident | 95 Ų | 95 | 108.7 Ų | 108.7 | 51% | 0.508 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.3 | -37.6 | 177.6 | -63.7 | -31.4 | 0 | 0 | 0 | 110.8 | I110 S111 L117 Q118 | I110-D114 HydrophobicContact CG2-CB 3.89Å; S111-D114 WeakPolarHBondContact O-CB 3.32Å; S111-D114 PolarHBondContact O-N 3.04Å; D114-L117 PolarHBondContact O-N 3.44Å; D114-Q118 WeakPolarHBondContact O-CB 3.44Å; D114-Q118 PolarHBondContact O-N 3.13Å |
| 115 | F | 90.9 | Very high | 80.2 | Confident | 124 Ų | 124 | 110.1 Ų | 110.1 | 54% | 0.544 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.4 | -42.8 | 172.9 | -175 | -100.1 | 0 | 0 | 0 | 111.7 | S111 G113 L117 Q118 L119 | S111-F115 PolarHBondContact O-N 2.66Å; G113-F115 VanDerWaalsContact C-N 3.33Å; F115-L117 PolarHBondContact O-N 2.87Å; F115-Q118 PolarHBondContact O-N 2.75Å; F115-L119 WeakPolarHBondContact O-CB 3.26Å; F115-L119 PolarHBondContact O-N 2.57Å |
| 116 | A | 88.8 | Confident | 82.7 | Confident | 45 Ų | 45 | 110 Ų | 110 | 37% | 0.372 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.6 | -39.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S112 G113 L119 R120 | S112-A116 PolarHBondContact O-N 3.06Å; S112-A116 VanDerWaalsContact O-N 3.13Å; G113-A116 PolarHBondContact O-N 3.07Å; A116-L119 PolarHBondContact O-N 2.84Å; A116-R120 VanDerWaalsContact O-CG 3.29Å; A116-R120 WeakPolarHBondContact O-CG 3.28Å; A116-R120 PolarHBondContact O-N 3.11Å |
| 117 | L | 94.1 | Very high | 85.1 | Confident | 110 Ų | 110 | 105.7 Ų | 105.7 | 58% | 0.576 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.8 | -43.3 | 174.7 | -71.1 | 175.5 | 0 | 0 | 0 | 111.8 | G113 D114 F115 L119 R120 K121 | G113-L117 WeakPolarHBondContact O-CG 3.43Å; G113-L117 PolarHBondContact O-N 3.49Å; D114-L117 PolarHBondContact O-N 3.44Å; F115-L117 PolarHBondContact O-N 2.87Å; L117-L119 VanDerWaalsContact C-N 3.34Å; L117-L119 PolarHBondContact O-N 2.73Å; L117-R120 PolarHBondContact O-N 2.85Å; L117-K121 PolarHBondContact O-N 3.3Å |
| 118 | Q | 94.6 | Very high | 87.1 | Confident | 108 Ų | 108 | 103.8 Ų | 103.8 | 51% | 0.505 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 175.8 | -177.6 | 61.9 | 18.9 | 0 | 0 | 111.2 | D114 F115 R120 K121 E122 | D114-Q118 WeakPolarHBondContact O-CB 3.44Å; D114-Q118 PolarHBondContact O-N 3.13Å; F115-Q118 PolarHBondContact O-N 2.75Å; Q118-R120 PolarHBondContact O-N 3.49Å; Q118-K121 WeakPolarHBondContact O-CB 3.44Å; Q118-K121 PolarHBondContact O-N 2.96Å; Q118-E122 WeakPolarHBondContact O-CB 3.37Å; Q118-E122 PolarHBondContact O-N 3.46Å |
| 119 | L | 95.5 | Very high | 89.2 | Confident | 85 Ų | 85 | 102.3 Ų | 102.3 | 45% | 0.445 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 179.1 | -158.3 | 69.9 | 0 | 0 | 0 | 111.7 | F115 A116 L117 K121 E122 V123 | F115-L119 WeakPolarHBondContact O-CB 3.26Å; F115-L119 PolarHBondContact O-N 2.57Å; A116-L119 PolarHBondContact O-N 2.84Å; L117-L119 VanDerWaalsContact C-N 3.34Å; L117-L119 PolarHBondContact O-N 2.73Å; L119-K121 VanDerWaalsContact C-N 3.34Å; L119-K121 PolarHBondContact O-N 2.92Å; L119-E122 PolarHBondContact O-N 2.76Å; L119-V123 VanDerWaalsContact O-CG2 3.32Å; L119-V123 WeakPolarHBondContact O-CG2 3.31Å; L119-V123 PolarHBondContact O-N 3.01Å |
| 120 | R | 95.8 | Very high | 91 | Very high | 190 Ų | 190 | 97.8 Ų | 97.8 | 72% | 0.717 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62 | -41.6 | 174.5 | -74.4 | 175.9 | -175.1 | -154.3 | 1.9 | 112.1 | A116 L117 Q118 K124 | A116-R120 VanDerWaalsContact O-CG 3.29Å; A116-R120 WeakPolarHBondContact O-CG 3.28Å; A116-R120 PolarHBondContact O-N 3.11Å; L117-R120 PolarHBondContact O-N 2.85Å; Q118-R120 PolarHBondContact O-N 3.49Å; R120-K124 PolarHBondContact O-N 2.93Å; R120-K124 VanDerWaalsContact O-N 3.09Å |
| 121 | K | 97.1 | Very high | 92.9 | Very high | 116 Ų | 116 | 98.2 Ų | 98.2 | 50% | 0.504 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 175.7 | -178.6 | -179.1 | 171.1 | -174.8 | 0 | 110.6 | L117 Q118 L119 V123 K124 E125 | L117-K121 PolarHBondContact O-N 3.3Å; Q118-K121 WeakPolarHBondContact O-CB 3.44Å; Q118-K121 PolarHBondContact O-N 2.96Å; L119-K121 VanDerWaalsContact C-N 3.34Å; L119-K121 PolarHBondContact O-N 2.92Å; K121-V123 PolarHBondContact O-N 3.34Å; K121-K124 WeakPolarHBondContact O-CB 3.24Å; K121-K124 PolarHBondContact O-N 2.85Å; K121-K124 VanDerWaalsContact O-N 3.16Å; K121-E125 WeakPolarHBondContact CE-OE1 3.47Å; K121-E125 WeakPolarHBondContact O-CG 3.26Å; K121-E125 PolarHBondContact O-N 2.8Å |
| 122 | E | 97.3 | Very high | 94.1 | Very high | 68 Ų | 68 | 102.3 Ų | 102.3 | 32% | 0.318 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 179.2 | -171.1 | 177.8 | 171.5 | 0 | 0 | 112.3 | Q118 L119 K124 E125 K126 | Q118-E122 WeakPolarHBondContact O-CB 3.37Å; Q118-E122 PolarHBondContact O-N 3.46Å; L119-E122 PolarHBondContact O-N 2.76Å; E122-K124 VanDerWaalsContact C-N 3.32Å; E122-K124 PolarHBondContact O-N 3.46Å; E122-E125 PolarHBondContact O-N 3.45Å; E122-K126 HydrophobicContact CG-CD 4.21Å; E122-K126 HydrophobicContact CG-CG 4.43Å; E122-K126 WeakPolarHBondContact O-CB 3.41Å; E122-K126 WeakPolarHBondContact O-CG 3.4Å; E122-K126 PolarHBondContact O-N 3.08Å; E122-K126 WeakPolarHBondContact OE1-CE 3.25Å; E122-K126 IonicContact OE1-NZ 2.64Å; E122-K126 PolarHBondContact OE1-NZ 3.36Å |
| 123 | V | 97.8 | Very high | 95.3 | Very high | 84 Ų | 84 | 102.4 Ų | 102.4 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 174 | 169 | 0 | 0 | 0 | 0 | 110.7 | L119 K121 E125 K126 T127 | L119-V123 VanDerWaalsContact O-CG2 3.32Å; L119-V123 WeakPolarHBondContact O-CG2 3.31Å; L119-V123 PolarHBondContact O-N 3.01Å; K121-V123 PolarHBondContact O-N 3.34Å; V123-E125 VanDerWaalsContact C-N 3.34Å; V123-E125 PolarHBondContact O-N 2.81Å; V123-K126 PolarHBondContact O-N 3.34Å; V123-T127 HydrophobicContact CG1-CG2 4.17Å; V123-T127 WeakPolarHBondContact O-CB 3.36Å; V123-T127 WeakPolarHBondContact O-CG2 3.4Å; V123-T127 PolarHBondContact O-N 3.45Å; V123-T127 PolarHBondContact O-OG1 3.38Å |
| 124 | K | 98 | Very high | 96.1 | Very high | 160 Ų | 160 | 106.8 Ų | 106.8 | 70% | 0.696 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.9 | -41.9 | 177.2 | -172.4 | -179.3 | 177.7 | -177.9 | 0 | 112 | R120 K121 E122 T127 E128 | R120-K124 PolarHBondContact O-N 2.93Å; R120-K124 VanDerWaalsContact O-N 3.09Å; K121-K124 WeakPolarHBondContact O-CB 3.24Å; K121-K124 PolarHBondContact O-N 2.85Å; K121-K124 VanDerWaalsContact O-N 3.16Å; E122-K124 VanDerWaalsContact C-N 3.32Å; E122-K124 PolarHBondContact O-N 3.46Å; K124-T127 WeakPolarHBondContact CA-OG1 3.3Å; K124-T127 PolarHBondContact O-OG1 2.71Å; K124-E128 WeakPolarHBondContact O-CB 3.39Å; K124-E128 PolarHBondContact O-N 3.47Å; K124-E128 VanDerWaalsContact O-N 3.1Å |
| 125 | E | 98.3 | Very high | 96.7 | Very high | 104 Ų | 104 | 105.9 Ų | 105.9 | 49% | 0.486 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.4 | -43.7 | 178.4 | -71 | 173.5 | -176.9 | 0 | 0 | 112.2 | K121 E122 V123 E128 T129 | K121-E125 WeakPolarHBondContact CE-OE1 3.47Å; K121-E125 WeakPolarHBondContact O-CG 3.26Å; K121-E125 PolarHBondContact O-N 2.8Å; E122-E125 PolarHBondContact O-N 3.45Å; V123-E125 VanDerWaalsContact C-N 3.34Å; V123-E125 PolarHBondContact O-N 2.81Å; E125-E128 PolarHBondContact O-N 3.34Å; E125-T129 WeakPolarHBondContact O-CB 3.39Å; E125-T129 PolarHBondContact O-N 2.84Å; E125-T129 PolarHBondContact O-OG1 3.35Å |
| 126 | K | 98.3 | Very high | 96.9 | Very high | 125 Ų | 125 | 103 Ų | 103 | 54% | 0.543 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 176.6 | -74.3 | -176.4 | -179.3 | 169.4 | 0 | 112 | E122 V123 T129 L130 | E122-K126 HydrophobicContact CG-CD 4.21Å; E122-K126 HydrophobicContact CG-CG 4.43Å; E122-K126 WeakPolarHBondContact O-CB 3.41Å; E122-K126 WeakPolarHBondContact O-CG 3.4Å; E122-K126 PolarHBondContact O-N 3.08Å; E122-K126 WeakPolarHBondContact OE1-CE 3.25Å; E122-K126 IonicContact OE1-NZ 2.64Å; E122-K126 PolarHBondContact OE1-NZ 3.36Å; V123-K126 PolarHBondContact O-N 3.34Å; K126-T129 PolarHBondContact O-N 2.82Å; K126-L130 VanDerWaalsContact O-CB 3.27Å; K126-L130 WeakPolarHBondContact O-CB 3.5Å; K126-L130 PolarHBondContact O-N 3.02Å |
| 127 | T | 98.1 | Very high | 97.2 | Very high | 77 Ų | 77 | 108.6 Ų | 108.6 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 177.6 | 50.2 | 0 | 0 | 0 | 0 | 112 | V123 K124 L130 R131 | V123-T127 HydrophobicContact CG1-CG2 4.17Å; V123-T127 WeakPolarHBondContact O-CB 3.36Å; V123-T127 WeakPolarHBondContact O-CG2 3.4Å; V123-T127 PolarHBondContact O-N 3.45Å; V123-T127 PolarHBondContact O-OG1 3.38Å; K124-T127 WeakPolarHBondContact CA-OG1 3.3Å; K124-T127 PolarHBondContact O-OG1 2.71Å; T127-L130 PolarHBondContact O-N 2.96Å; T127-R131 WeakPolarHBondContact O-CB 3.42Å; T127-R131 PolarHBondContact O-N 3.13Å |
| 128 | E | 98.3 | Very high | 97.3 | Very high | 61 Ų | 61 | 105.6 Ų | 105.6 | 29% | 0.285 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66 | -42.1 | 174.1 | 173.8 | 55 | -163.9 | 0 | 0 | 111.8 | K124 E125 L130 R131 R132 | K124-E128 WeakPolarHBondContact O-CB 3.39Å; K124-E128 PolarHBondContact O-N 3.47Å; K124-E128 VanDerWaalsContact O-N 3.1Å; E125-E128 PolarHBondContact O-N 3.34Å; E128-L130 VanDerWaalsContact C-N 3.34Å; E128-L130 PolarHBondContact O-N 2.94Å; E128-R131 WeakPolarHBondContact O-CB 3.5Å; E128-R131 PolarHBondContact O-N 2.69Å; E128-R131 IonicContact OE1-CZ 3.26Å; E128-R131 IonicContact OE1-NE 3.52Å; E128-R131 IonicContact OE1-NH2 2.77Å; E128-R131 PolarHBondContact OE1-NH2 2.86Å; E128-R131 IonicContact OE2-CZ 3.62Å; E128-R131 IonicContact OE2-NE 3.65Å; E128-R131 PolarHBondContact OE2-NE 3.26Å; E128-R131 IonicContact OE2-NH2 2.75Å; E128-R131 PolarHBondContact OE2-NH2 3.41Å; E128-R132 WeakPolarHBondContact O-CG 3.49Å; E128-R132 PolarHBondContact O-N 2.9Å; E128-R132 IonicContact OE1-CZ 3.85Å; E128-R132 IonicContact OE1-NE 3.47Å; E128-R132 PolarHBondContact OE1-NE 3.49Å; E128-R132 IonicContact OE1-NH2 2.71Å; E128-R132 PolarHBondContact OE1-NH2 2.94Å |
| 129 | T | 98.3 | Very high | 97.3 | Very high | 76 Ų | 76 | 107 Ų | 107 | 47% | 0.466 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 174.9 | -58.7 | 0 | 0 | 0 | 0 | 110.6 | E125 K126 R131 R132 L133 | E125-T129 WeakPolarHBondContact O-CB 3.39Å; E125-T129 PolarHBondContact O-N 2.84Å; E125-T129 PolarHBondContact O-OG1 3.35Å; K126-T129 PolarHBondContact O-N 2.82Å; T129-R131 VanDerWaalsContact C-N 3.3Å; T129-R131 PolarHBondContact O-N 3.29Å; T129-R132 PolarHBondContact O-N 3.49Å; T129-L133 HydrophobicContact CG2-CD1 3.99Å; T129-L133 HydrophobicContact CG2-CG 4.33Å; T129-L133 VanDerWaalsContact O-CG 3.32Å; T129-L133 WeakPolarHBondContact O-CG 3.34Å; T129-L133 PolarHBondContact O-N 3.39Å |
| 130 | L | 98.3 | Very high | 97 | Very high | 89 Ų | 89 | 112.2 Ų | 112.2 | 47% | 0.466 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.3 | -41.8 | 176.6 | -178.8 | 62.1 | 0 | 0 | 0 | 111.5 | K126 T127 E128 L133 K134 | K126-L130 VanDerWaalsContact O-CB 3.27Å; K126-L130 WeakPolarHBondContact O-CB 3.5Å; K126-L130 PolarHBondContact O-N 3.02Å; T127-L130 PolarHBondContact O-N 2.96Å; E128-L130 VanDerWaalsContact C-N 3.34Å; E128-L130 PolarHBondContact O-N 2.94Å; L130-L133 PolarHBondContact O-N 3.44Å; L130-K134 HydrophobicContact CD1-CG 4.44Å; L130-K134 HydrophobicContact CG-CD 4.37Å; L130-K134 WeakPolarHBondContact O-CB 3.31Å; L130-K134 WeakPolarHBondContact O-CG 3.24Å; L130-K134 PolarHBondContact O-N 3.23Å |
| 131 | R | 98.5 | Very high | 96.6 | Very high | 131 Ų | 131 | 107.9 Ų | 107.9 | 49% | 0.494 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 175.7 | -170.3 | -165.7 | 67.6 | 77.5 | 2.2 | 111.5 | T127 E128 T129 K134 M135 | T127-R131 WeakPolarHBondContact O-CB 3.42Å; T127-R131 PolarHBondContact O-N 3.13Å; E128-R131 WeakPolarHBondContact O-CB 3.5Å; E128-R131 PolarHBondContact O-N 2.69Å; E128-R131 IonicContact OE1-CZ 3.26Å; E128-R131 IonicContact OE1-NE 3.52Å; E128-R131 IonicContact OE1-NH2 2.77Å; E128-R131 PolarHBondContact OE1-NH2 2.86Å; E128-R131 IonicContact OE2-CZ 3.62Å; E128-R131 IonicContact OE2-NE 3.65Å; E128-R131 PolarHBondContact OE2-NE 3.26Å; E128-R131 IonicContact OE2-NH2 2.75Å; E128-R131 PolarHBondContact OE2-NH2 3.41Å; T129-R131 VanDerWaalsContact C-N 3.3Å; T129-R131 PolarHBondContact O-N 3.29Å; R131-K134 PolarHBondContact O-N 3.44Å; R131-M135 PolarHBondContact O-N 3.46Å |
| 132 | R | 98.4 | Very high | 96.2 | Very high | 156 Ų | 156 | 109.8 Ų | 109.8 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.2 | -44.6 | 176.5 | -68.1 | 177.4 | -174 | -157.2 | 1.1 | 111.8 | E128 T129 K134 M135 V136 | E128-R132 WeakPolarHBondContact O-CG 3.49Å; E128-R132 PolarHBondContact O-N 2.9Å; E128-R132 IonicContact OE1-CZ 3.85Å; E128-R132 IonicContact OE1-NE 3.47Å; E128-R132 PolarHBondContact OE1-NE 3.49Å; E128-R132 IonicContact OE1-NH2 2.71Å; E128-R132 PolarHBondContact OE1-NH2 2.94Å; T129-R132 PolarHBondContact O-N 3.49Å; R132-K134 PolarHBondContact O-N 3.27Å; R132-M135 WeakPolarHBondContact O-CB 3.47Å; R132-M135 PolarHBondContact O-N 2.96Å; R132-M135 VanDerWaalsContact O-N 3.16Å; R132-V136 WeakPolarHBondContact O-CG2 3.49Å; R132-V136 PolarHBondContact O-N 3.31Å |
| 133 | L | 98.3 | Very high | 95.8 | Very high | 106 Ų | 106 | 110.6 Ų | 110.6 | 56% | 0.555 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.9 | -39.8 | 178.2 | -68.4 | 175.8 | 0 | 0 | 0 | 112.1 | T129 L130 M135 V136 K137 | T129-L133 HydrophobicContact CG2-CD1 3.99Å; T129-L133 HydrophobicContact CG2-CG 4.33Å; T129-L133 VanDerWaalsContact O-CG 3.32Å; T129-L133 WeakPolarHBondContact O-CG 3.34Å; T129-L133 PolarHBondContact O-N 3.39Å; L130-L133 PolarHBondContact O-N 3.44Å; L133-M135 VanDerWaalsContact C-N 3.3Å; L133-M135 PolarHBondContact O-N 3.11Å; L133-V136 PolarHBondContact O-N 3.02Å; L133-K137 WeakPolarHBondContact O-CB 3.27Å; L133-K137 PolarHBondContact O-N 2.87Å |
| 134 | K | 97.7 | Very high | 95.3 | Very high | 133 Ų | 133 | 110.4 Ų | 110.4 | 58% | 0.578 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.6 | -41.4 | 172 | -77.6 | 179.7 | 176.6 | -177.5 | 0 | 111.3 | L130 R131 R132 K137 M138 | L130-K134 HydrophobicContact CD1-CG 4.44Å; L130-K134 HydrophobicContact CG-CD 4.37Å; L130-K134 WeakPolarHBondContact O-CB 3.31Å; L130-K134 WeakPolarHBondContact O-CG 3.24Å; L130-K134 PolarHBondContact O-N 3.23Å; R131-K134 PolarHBondContact O-N 3.44Å; R132-K134 PolarHBondContact O-N 3.27Å; K134-K137 PolarHBondContact O-N 3.44Å; K134-M138 VanDerWaalsContact O-CB 3.28Å; K134-M138 WeakPolarHBondContact O-CB 3.23Å; K134-M138 PolarHBondContact O-N 3.03Å |
| 135 | M | 97.9 | Very high | 94.8 | Very high | 75 Ų | 75 | 109 Ų | 109 | 37% | 0.369 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.2 | -47.9 | 173.8 | -75.4 | -70.3 | 95.9 | 0 | 0 | 112.2 | R131 R132 L133 K137 M138 Y139 | R131-M135 PolarHBondContact O-N 3.46Å; R132-M135 WeakPolarHBondContact O-CB 3.47Å; R132-M135 PolarHBondContact O-N 2.96Å; R132-M135 VanDerWaalsContact O-N 3.16Å; L133-M135 VanDerWaalsContact C-N 3.3Å; L133-M135 PolarHBondContact O-N 3.11Å; M135-K137 VanDerWaalsContact C-N 3.32Å; M135-K137 PolarHBondContact O-N 3.45Å; M135-M138 HydrophobicContact CE-CB 4.32Å; M135-M138 HydrophobicContact CE-CE 3.54Å; M135-M138 HydrophobicContact CE-CG 4.42Å; M135-M138 WeakPolarHBondContact O-CB 3.39Å; M135-M138 PolarHBondContact O-N 2.96Å; M135-M138 VanDerWaalsContact O-N 3.15Å; M135-M138 HydrophobicContact SD-CE 3.57Å; M135-M138 VanDerWaalsContact SD-CE 3.57Å; M135-Y139 HydrophobicContact CB-CD2 4.38Å; M135-Y139 HydrophobicContact CB-CE2 4.37Å; M135-Y139 WeakPolarHBondContact O-CD2 3.4Å; M135-Y139 PolarHBondContact O-N 2.89Å; M135-Y139 HydrophobicContact SD-CE2 4.22Å |
| 136 | V | 96.4 | Very high | 94.4 | Very high | 63 Ų | 63 | 108.7 Ų | 108.7 | 38% | 0.382 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.2 | -45.6 | 176.6 | 172.9 | 0 | 0 | 0 | 0 | 111 | R132 L133 M138 Y139 R140 | R132-V136 WeakPolarHBondContact O-CG2 3.49Å; R132-V136 PolarHBondContact O-N 3.31Å; L133-V136 PolarHBondContact O-N 3.02Å; V136-M138 VanDerWaalsContact C-N 3.34Å; V136-M138 PolarHBondContact O-N 2.96Å; V136-Y139 PolarHBondContact O-N 3.17Å; V136-R140 HydrophobicContact CG1-CG 4.4Å; V136-R140 WeakPolarHBondContact O-CB 3.31Å; V136-R140 VanDerWaalsContact O-CG 3.3Å; V136-R140 WeakPolarHBondContact O-CG 3.24Å; V136-R140 PolarHBondContact O-N 2.84Å |
| 137 | K | 95.3 | Very high | 94.1 | Very high | 164 Ų | 164 | 107.7 Ų | 107.7 | 71% | 0.713 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.4 | -45.3 | 175.9 | -175.2 | 177.9 | 179.2 | 178.7 | 0 | 111.5 | L133 K134 M135 R140 S141 | L133-K137 WeakPolarHBondContact O-CB 3.27Å; L133-K137 PolarHBondContact O-N 2.87Å; K134-K137 PolarHBondContact O-N 3.44Å; M135-K137 VanDerWaalsContact C-N 3.32Å; M135-K137 PolarHBondContact O-N 3.45Å; K137-R140 PolarHBondContact O-N 3.31Å; K137-S141 WeakPolarHBondContact O-CB 3.25Å; K137-S141 PolarHBondContact O-N 2.98Å |
| 138 | M | 94.4 | Very high | 93.9 | Very high | 47 Ų | 47 | 108.1 Ų | 108.1 | 23% | 0.232 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 177.2 | -179 | -81.4 | -62.7 | 0 | 0 | 111.6 | K134 M135 V136 S141 K142 | K134-M138 VanDerWaalsContact O-CB 3.28Å; K134-M138 WeakPolarHBondContact O-CB 3.23Å; K134-M138 PolarHBondContact O-N 3.03Å; M135-M138 HydrophobicContact CE-CB 4.32Å; M135-M138 HydrophobicContact CE-CE 3.54Å; M135-M138 HydrophobicContact CE-CG 4.42Å; M135-M138 WeakPolarHBondContact O-CB 3.39Å; M135-M138 PolarHBondContact O-N 2.96Å; M135-M138 VanDerWaalsContact O-N 3.15Å; M135-M138 HydrophobicContact SD-CE 3.57Å; M135-M138 VanDerWaalsContact SD-CE 3.57Å; V136-M138 VanDerWaalsContact C-N 3.34Å; V136-M138 PolarHBondContact O-N 2.96Å; M138-S141 PolarHBondContact O-N 3.05Å; M138-K142 HydrophobicContact CG-CD 4.37Å; M138-K142 WeakPolarHBondContact O-CG 3.13Å; M138-K142 PolarHBondContact O-N 3.24Å; M138-K142 HydrophobicContact SD-CD 3.47Å; M138-K142 WeakPolarHBondContact SD-CD 3.49Å; M138-K142 WeakPolarHBondContact SD-CE 3.43Å; M138-K142 HydrophobicContact SD-CG 4.08Å |
| 139 | Y | 94.8 | Very high | 93.7 | Very high | 137 Ų | 137 | 109.5 Ų | 109.5 | 54% | 0.537 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.2 | -38.4 | 178.2 | -78.2 | -67.3 | 0 | 0 | 0 | 112.6 | M135 V136 S141 K142 N143 | M135-Y139 HydrophobicContact CB-CD2 4.38Å; M135-Y139 HydrophobicContact CB-CE2 4.37Å; M135-Y139 WeakPolarHBondContact O-CD2 3.4Å; M135-Y139 PolarHBondContact O-N 2.89Å; M135-Y139 HydrophobicContact SD-CE2 4.22Å; V136-Y139 PolarHBondContact O-N 3.17Å; Y139-S141 VanDerWaalsContact C-N 3.31Å; Y139-S141 PolarHBondContact O-N 2.82Å; Y139-K142 PolarHBondContact O-N 3.46Å; Y139-N143 VanDerWaalsContact O-CB 3.29Å; Y139-N143 WeakPolarHBondContact O-CB 3.29Å; Y139-N143 PolarHBondContact O-N 3.1Å; Y139-N143 PolarHBondContact O-ND2 3.29Å |
| 140 | R | 90.2 | Very high | 93.5 | Very high | 195 Ų | 195 | 108.8 Ų | 108.8 | 74% | 0.736 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.1 | -38 | 173.2 | -73.1 | 177.7 | -178.5 | 176.3 | 1 | 112.2 | V136 K137 | V136-R140 HydrophobicContact CG1-CG 4.4Å; V136-R140 WeakPolarHBondContact O-CB 3.31Å; V136-R140 VanDerWaalsContact O-CG 3.3Å; V136-R140 WeakPolarHBondContact O-CG 3.24Å; V136-R140 PolarHBondContact O-N 2.84Å; K137-R140 PolarHBondContact O-N 3.31Å |
| 141 | S | 87.6 | Confident | 93.4 | Very high | 99 Ų | 99 | 107.6 Ų | 107.6 | 69% | 0.692 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -73.5 | -35.8 | 178 | -179.2 | 0 | 0 | 0 | 0 | 113 | K137 M138 Y139 | K137-S141 WeakPolarHBondContact O-CB 3.25Å; K137-S141 PolarHBondContact O-N 2.98Å; M138-S141 PolarHBondContact O-N 3.05Å; Y139-S141 VanDerWaalsContact C-N 3.31Å; Y139-S141 PolarHBondContact O-N 2.82Å |
| 142 | K | 87.9 | Confident | 93.3 | Very high | 155 Ų | 155 | 104.6 Ų | 104.6 | 67% | 0.674 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -83.5 | -30.5 | -179.2 | -71 | -169.4 | -174.8 | 175.2 | 0 | 113.5 | M138 Y139 | M138-K142 HydrophobicContact CG-CD 4.37Å; M138-K142 WeakPolarHBondContact O-CG 3.13Å; M138-K142 PolarHBondContact O-N 3.24Å; M138-K142 HydrophobicContact SD-CD 3.47Å; M138-K142 WeakPolarHBondContact SD-CD 3.49Å; M138-K142 WeakPolarHBondContact SD-CE 3.43Å; M138-K142 HydrophobicContact SD-CG 4.08Å; Y139-K142 PolarHBondContact O-N 3.46Å |
| 143 | N | 88 | Confident | 93.1 | Very high | 86 Ų | 86 | 100 Ų | 100 | 46% | 0.46 | 49% | 0.493 | S | S | . | . | trans | -110.4 | 64.2 | -177.5 | -55 | -89.1 | 0 | 0 | 0 | 108.6 | Y139 L145 | Y139-N143 VanDerWaalsContact O-CB 3.29Å; Y139-N143 WeakPolarHBondContact O-CB 3.29Å; Y139-N143 PolarHBondContact O-N 3.1Å; Y139-N143 PolarHBondContact O-ND2 3.29Å; N143-L145 PolarHBondContact O-N 3.19Å | ||
| 144 | D | 87.9 | Confident | 93 | Very high | 79 Ų | 79 | 100.9 Ų | 100.9 | 42% | 0.422 | 49% | 0.493 | S | S | . | . | trans | -64.1 | 102.8 | 167.3 | -177.4 | -6.2 | 0 | 0 | 0 | 108.2 | T146 H147 L148 | D144-T146 PolarHBondContact O-N 3.44Å; D144-T146 WeakPolarHBondContact OD1-CB 3.45Å; D144-T146 PolarHBondContact OD1-N 3.26Å; D144-T146 PolarHBondContact OD1-OG1 2.77Å; D144-T146 PolarHBondContact OD2-OG1 3.39Å; D144-H147 HydrophobicContact CB-CB 3.93Å; D144-H147 PolarHBondContact O-N 2.78Å; D144-H147 PolarHBondContact OD1-N 2.75Å; D144-L148 PolarHBondContact O-N 3.31Å | ||
| 145 | L | 88.3 | Confident | 93 | Very high | 131 Ų | 131 | 103.6 Ų | 103.6 | 69% | 0.686 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.5 | -31 | -178.3 | -63.2 | 178.3 | 0 | 0 | 0 | 111.2 | N143 Q149 | N143-L145 PolarHBondContact O-N 3.19Å; L145-Q149 VanDerWaalsContact O-CB 3.24Å; L145-Q149 WeakPolarHBondContact O-CB 3.43Å; L145-Q149 PolarHBondContact O-N 2.88Å |
| 146 | T | 90.6 | Very high | 93 | Very high | 97 Ų | 97 | 102.2 Ų | 102.2 | 60% | 0.595 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -71.2 | -42.1 | 179 | 68.8 | 0 | 0 | 0 | 0 | 111.3 | D144 Q149 T150 | D144-T146 PolarHBondContact O-N 3.44Å; D144-T146 WeakPolarHBondContact OD1-CB 3.45Å; D144-T146 PolarHBondContact OD1-N 3.26Å; D144-T146 PolarHBondContact OD1-OG1 2.77Å; D144-T146 PolarHBondContact OD2-OG1 3.39Å; T146-Q149 PolarHBondContact O-N 2.86Å; T146-T150 WeakPolarHBondContact O-CB 3.44Å; T146-T150 PolarHBondContact O-N 3.42Å; T146-T150 PolarHBondContact O-OG1 2.8Å |
| 147 | H | 91.9 | Very high | 92.9 | Very high | 105 Ų | 105 | 102.5 Ų | 102.5 | 49% | 0.486 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 175.4 | -173.9 | 65.9 | 0 | 0 | 0 | 111.5 | D144 T150 L151 | D144-H147 HydrophobicContact CB-CB 3.93Å; D144-H147 PolarHBondContact O-N 2.78Å; D144-H147 PolarHBondContact OD1-N 2.75Å; H147-T150 WeakPolarHBondContact O-CB 3.47Å; H147-T150 PolarHBondContact O-N 3.27Å; H147-L151 WeakPolarHBondContact O-CG 3.44Å; H147-L151 PolarHBondContact O-N 2.9Å |
| 148 | L | 93.1 | Very high | 93 | Very high | 86 Ų | 86 | 98.6 Ų | 98.6 | 45% | 0.45 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 176.4 | -177.1 | 60 | 0 | 0 | 0 | 111.2 | D144 T150 L151 I152 | D144-L148 PolarHBondContact O-N 3.31Å; L148-T150 VanDerWaalsContact C-N 3.32Å; L148-T150 PolarHBondContact O-N 2.82Å; L148-L151 PolarHBondContact O-N 3.47Å; L148-L151 VanDerWaalsContact O-N 3.17Å; L148-I152 HydrophobicContact CD1-CD1 4.48Å; L148-I152 HydrophobicContact CG-CD1 4.03Å; L148-I152 VanDerWaalsContact O-CG1 3.31Å; L148-I152 WeakPolarHBondContact O-CG1 3.43Å; L148-I152 PolarHBondContact O-N 3.41Å |
| 149 | Q | 94 | Very high | 93 | Very high | 90 Ų | 90 | 98.3 Ų | 98.3 | 42% | 0.421 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 175 | -170.4 | 61.3 | 48 | 0 | 0 | 111.2 | L145 T146 L151 I152 D153 | L145-Q149 VanDerWaalsContact O-CB 3.24Å; L145-Q149 WeakPolarHBondContact O-CB 3.43Å; L145-Q149 PolarHBondContact O-N 2.88Å; T146-Q149 PolarHBondContact O-N 2.86Å; Q149-L151 VanDerWaalsContact C-N 3.28Å; Q149-L151 PolarHBondContact O-N 2.95Å; Q149-I152 WeakPolarHBondContact O-CB 3.41Å; Q149-I152 PolarHBondContact O-N 2.95Å; Q149-I152 VanDerWaalsContact O-N 3.1Å; Q149-D153 PolarHBondContact NE2-OD1 3.22Å; Q149-D153 PolarHBondContact O-N 3Å |
| 150 | T | 94.8 | Very high | 93 | Very high | 61 Ų | 61 | 93.2 Ų | 93.2 | 37% | 0.374 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.4 | -39.6 | 176 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | T146 H147 L148 K154 | T146-T150 WeakPolarHBondContact O-CB 3.44Å; T146-T150 PolarHBondContact O-N 3.42Å; T146-T150 PolarHBondContact O-OG1 2.8Å; H147-T150 WeakPolarHBondContact O-CB 3.47Å; H147-T150 PolarHBondContact O-N 3.27Å; L148-T150 VanDerWaalsContact C-N 3.32Å; L148-T150 PolarHBondContact O-N 2.82Å; T150-K154 HydrophobicContact CG2-CD 4.34Å; T150-K154 WeakPolarHBondContact O-CB 3.42Å; T150-K154 VanDerWaalsContact O-CG 3.25Å; T150-K154 WeakPolarHBondContact O-CG 2.97Å; T150-K154 PolarHBondContact O-N 2.96Å |
| 151 | L | 95.8 | Very high | 93.2 | Very high | 63 Ų | 63 | 86 Ų | 86 | 33% | 0.33 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.6 | -43.5 | 175.8 | -72.7 | 173.1 | 0 | 0 | 0 | 111.4 | H147 L148 Q149 D153 K154 W155 | H147-L151 WeakPolarHBondContact O-CG 3.44Å; H147-L151 PolarHBondContact O-N 2.9Å; L148-L151 PolarHBondContact O-N 3.47Å; L148-L151 VanDerWaalsContact O-N 3.17Å; Q149-L151 VanDerWaalsContact C-N 3.28Å; Q149-L151 PolarHBondContact O-N 2.95Å; L151-D153 VanDerWaalsContact C-N 3.31Å; L151-D153 PolarHBondContact O-N 3.09Å; L151-K154 PolarHBondContact O-N 3.27Å; L151-W155 PolarHBondContact O-N 3.37Å |
| 152 | I | 95.3 | Very high | 93.5 | Very high | 68 Ų | 68 | 83.7 Ų | 83.7 | 35% | 0.349 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -56.4 | -48.4 | 175 | -71.1 | 166.3 | 0 | 0 | 0 | 109.8 | L148 Q149 K154 W155 R156 | L148-I152 HydrophobicContact CD1-CD1 4.48Å; L148-I152 HydrophobicContact CG-CD1 4.03Å; L148-I152 VanDerWaalsContact O-CG1 3.31Å; L148-I152 WeakPolarHBondContact O-CG1 3.43Å; L148-I152 PolarHBondContact O-N 3.41Å; Q149-I152 WeakPolarHBondContact O-CB 3.41Å; Q149-I152 PolarHBondContact O-N 2.95Å; Q149-I152 VanDerWaalsContact O-N 3.1Å; I152-K154 PolarHBondContact O-N 3.24Å; I152-W155 PolarHBondContact O-N 2.91Å; I152-R156 VanDerWaalsContact O-CB 3.24Å; I152-R156 WeakPolarHBondContact O-CB 3.32Å; I152-R156 PolarHBondContact O-N 3.07Å |
| 153 | D | 95.4 | Very high | 93.7 | Very high | 59 Ų | 59 | 76.8 Ų | 76.8 | 32% | 0.316 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | -178.9 | -58.9 | -23.1 | 0 | 0 | 0 | 111.4 | Q149 L151 R156 S157 | Q149-D153 PolarHBondContact NE2-OD1 3.22Å; Q149-D153 PolarHBondContact O-N 3Å; L151-D153 VanDerWaalsContact C-N 3.31Å; L151-D153 PolarHBondContact O-N 3.09Å; D153-R156 PolarHBondContact O-N 3.47Å; D153-R156 IonicContact OD1-CZ 3.77Å; D153-R156 IonicContact OD1-NH1 3.66Å; D153-R156 PolarHBondContact OD1-NH1 3.38Å; D153-S157 WeakPolarHBondContact O-CB 3.48Å; D153-S157 PolarHBondContact O-N 2.83Å; D153-S157 PolarHBondContact O-OG 2.93Å; D153-S157 VanDerWaalsContact O-OG 3.08Å |
| 154 | K | 96.7 | Very high | 93.9 | Very high | 125 Ų | 125 | 76.8 Ų | 76.8 | 54% | 0.543 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.6 | -49.9 | 174.8 | -76.5 | 172.2 | 179.7 | -179.4 | 0 | 112.4 | T150 L151 I152 R156 S157 C158 | T150-K154 HydrophobicContact CG2-CD 4.34Å; T150-K154 WeakPolarHBondContact O-CB 3.42Å; T150-K154 VanDerWaalsContact O-CG 3.25Å; T150-K154 WeakPolarHBondContact O-CG 2.97Å; T150-K154 PolarHBondContact O-N 2.96Å; L151-K154 PolarHBondContact O-N 3.27Å; I152-K154 PolarHBondContact O-N 3.24Å; K154-R156 VanDerWaalsContact C-N 3.29Å; K154-R156 PolarHBondContact O-N 2.88Å; K154-S157 PolarHBondContact O-N 3.1Å; K154-C158 WeakPolarHBondContact O-CB 3.42Å; K154-C158 PolarHBondContact O-N 2.9Å; K154-C158 PolarHBondContact O-SG 3.18Å |
| 155 | W | 97.3 | Very high | 94 | Very high | 191 Ų | 191 | 78.8 Ų | 78.8 | 72% | 0.723 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -65.4 | -36.9 | 179.3 | -77.8 | 111.6 | 0 | 0 | 0 | 111.5 | L151 I152 C158 A159 | L151-W155 PolarHBondContact O-N 3.37Å; I152-W155 PolarHBondContact O-N 2.91Å; W155-C158 PolarHBondContact O-N 2.99Å; W155-A159 WeakPolarHBondContact O-CB 3.3Å; W155-A159 PolarHBondContact O-N 2.92Å |
| 156 | R | 96.6 | Very high | 94.1 | Very high | 46 Ų | 46 | 75.3 Ų | 75.3 | 17% | 0.174 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.9 | -52.9 | 173.4 | -172.2 | -174.5 | -61.1 | 109 | -3.3 | 110.9 | I152 D153 K154 C158 A159 Q160 I192 | I152-R156 VanDerWaalsContact O-CB 3.24Å; I152-R156 WeakPolarHBondContact O-CB 3.32Å; I152-R156 PolarHBondContact O-N 3.07Å; D153-R156 PolarHBondContact O-N 3.47Å; D153-R156 IonicContact OD1-CZ 3.77Å; D153-R156 IonicContact OD1-NH1 3.66Å; D153-R156 PolarHBondContact OD1-NH1 3.38Å; K154-R156 VanDerWaalsContact C-N 3.29Å; K154-R156 PolarHBondContact O-N 2.88Å; R156-C158 VanDerWaalsContact C-N 3.29Å; R156-C158 PolarHBondContact O-N 3.22Å; R156-A159 PolarHBondContact O-N 3.47Å; R156-A159 VanDerWaalsContact O-N 3.11Å; R156-Q160 HydrophobicContact CG-CG 4.26Å; R156-Q160 WeakPolarHBondContact O-CB 3.46Å; R156-Q160 VanDerWaalsContact O-CG 3.26Å; R156-Q160 WeakPolarHBondContact O-CG 3.47Å; R156-Q160 PolarHBondContact O-N 3.4Å; R156-I192 PolarHBondContact NE-O 3.27Å |
| 157 | S | 95.6 | Very high | 93.9 | Very high | 69 Ų | 69 | 72.6 Ų | 72.6 | 48% | 0.483 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.3 | -38.7 | 178.7 | -60.9 | 0 | 0 | 0 | 0 | 112.4 | D153 K154 A161 | D153-S157 WeakPolarHBondContact O-CB 3.48Å; D153-S157 PolarHBondContact O-N 2.83Å; D153-S157 PolarHBondContact O-OG 2.93Å; D153-S157 VanDerWaalsContact O-OG 3.08Å; K154-S157 PolarHBondContact O-N 3.1Å; S157-A161 VanDerWaalsContact O-CB 3.27Å; S157-A161 WeakPolarHBondContact O-CB 3.28Å; S157-A161 PolarHBondContact O-N 3.16Å |
| 158 | C | 96.4 | Very high | 93.5 | Very high | 81 Ų | 81 | 71.5 Ų | 71.5 | 55% | 0.547 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 174.4 | -70.8 | 0 | 0 | 0 | 0 | 112.2 | K154 W155 R156 A162 | K154-C158 WeakPolarHBondContact O-CB 3.42Å; K154-C158 PolarHBondContact O-N 2.9Å; K154-C158 PolarHBondContact O-SG 3.18Å; W155-C158 PolarHBondContact O-N 2.99Å; R156-C158 VanDerWaalsContact C-N 3.29Å; R156-C158 PolarHBondContact O-N 3.22Å; C158-A162 WeakPolarHBondContact O-CB 3.48Å; C158-A162 PolarHBondContact O-N 3.03Å |
| 159 | A | 95.2 | Very high | 92.9 | Very high | 41 Ų | 41 | 74.9 Ų | 74.9 | 34% | 0.339 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | W155 R156 A162 L163 L193 | W155-A159 WeakPolarHBondContact O-CB 3.3Å; W155-A159 PolarHBondContact O-N 2.92Å; R156-A159 PolarHBondContact O-N 3.47Å; R156-A159 VanDerWaalsContact O-N 3.11Å; A159-A162 PolarHBondContact O-N 3.44Å; A159-L163 WeakPolarHBondContact O-CG 3.45Å; A159-L163 PolarHBondContact O-N 3.4Å; A159-L193 HydrophobicContact CB-CD2 4.02Å |
| 160 | Q | 95.1 | Very high | 91.6 | Very high | 30 Ų | 30 | 75.8 Ų | 75.8 | 14% | 0.14 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 175 | -69.8 | 170.9 | -22.1 | 0 | 0 | 111.5 | R156 L163 Y164 L193 F202 | R156-Q160 HydrophobicContact CG-CG 4.26Å; R156-Q160 WeakPolarHBondContact O-CB 3.46Å; R156-Q160 VanDerWaalsContact O-CG 3.26Å; R156-Q160 WeakPolarHBondContact O-CG 3.47Å; R156-Q160 PolarHBondContact O-N 3.4Å; Q160-L163 PolarHBondContact O-N 2.85Å; Q160-Y164 WeakPolarHBondContact O-CD2 3.42Å; Q160-Y164 PolarHBondContact O-N 3.39Å; Q160-L193 HydrophobicContact CG-CD2 4.4Å; Q160-L193 PolarHBondContact NE2-O 3.13Å; Q160-F202 HydrophobicContact CB-CD2 3.8Å; Q160-F202 HydrophobicContact CB-CE2 3.61Å; Q160-F202 HydrophobicContact CB-CG 4.32Å; Q160-F202 HydrophobicContact CB-CZ 4.01Å; Q160-F202 HydrophobicContact CG-CB 4.46Å; Q160-F202 HydrophobicContact CG-CD1 3.76Å; Q160-F202 HydrophobicContact CG-CD2 3.7Å; Q160-F202 HydrophobicContact CG-CE1 3.82Å; Q160-F202 HydrophobicContact CG-CE2 3.75Å; Q160-F202 HydrophobicContact CG-CG 3.7Å; Q160-F202 HydrophobicContact CG-CZ 3.8Å |
| 161 | A | 94 | Very high | 90 | Very high | 45 Ų | 45 | 78.6 Ų | 78.6 | 37% | 0.372 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S157 L163 Y164 E165 | S157-A161 VanDerWaalsContact O-CB 3.27Å; S157-A161 WeakPolarHBondContact O-CB 3.28Å; S157-A161 PolarHBondContact O-N 3.16Å; A161-L163 VanDerWaalsContact C-N 3.29Å; A161-L163 PolarHBondContact O-N 3.35Å; A161-Y164 PolarHBondContact O-N 3.45Å; A161-Y164 VanDerWaalsContact O-N 3.15Å; A161-E165 WeakPolarHBondContact O-CG 3.44Å; A161-E165 PolarHBondContact O-N 2.86Å |
| 162 | A | 94 | Very high | 88.3 | Confident | 49 Ų | 49 | 78.9 Ų | 78.9 | 41% | 0.405 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.4 | -35.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | C158 A159 L166 | C158-A162 WeakPolarHBondContact O-CB 3.48Å; C158-A162 PolarHBondContact O-N 3.03Å; A159-A162 PolarHBondContact O-N 3.44Å; A162-L166 VanDerWaalsContact O-CB 3.26Å; A162-L166 WeakPolarHBondContact O-CB 3.45Å; A162-L166 PolarHBondContact O-N 3.5Å |
| 163 | L | 91.9 | Very high | 86.5 | Confident | 10 Ų | 10 | 83.6 Ų | 83.6 | 5% | 0.052 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 173.9 | -73.3 | 168 | 0 | 0 | 0 | 111.6 | A159 Q160 A161 L166 Q167 L179 L182 I183 F186 L188 L193 F202 | A159-L163 WeakPolarHBondContact O-CG 3.45Å; A159-L163 PolarHBondContact O-N 3.4Å; Q160-L163 PolarHBondContact O-N 2.85Å; A161-L163 VanDerWaalsContact C-N 3.29Å; A161-L163 PolarHBondContact O-N 3.35Å; L163-L166 PolarHBondContact O-N 2.9Å; L163-Q167 VanDerWaalsContact O-CB 3.31Å; L163-Q167 WeakPolarHBondContact O-CB 3.43Å; L163-Q167 PolarHBondContact O-N 2.99Å; L163-L179 HydrophobicContact CB-CD1 3.84Å; L163-L182 HydrophobicContact CB-CD2 4.41Å; L163-L182 HydrophobicContact CD2-CD2 3.62Å; L163-L182 HydrophobicContact CD2-CG 3.84Å; L163-I183 HydrophobicContact CD1-CG1 4.18Å; L163-F186 HydrophobicContact CD2-CD2 4.35Å; L163-L188 HydrophobicContact CD1-CD1 4.14Å; L163-L188 HydrophobicContact CD2-CD1 4.23Å; L163-L193 HydrophobicContact CD1-CD1 3.83Å; L163-L193 HydrophobicContact CD1-CD2 4.38Å; L163-F202 HydrophobicContact CB-CZ 4.47Å; L163-F202 HydrophobicContact CD1-CE1 4.43Å; L163-F202 HydrophobicContact CD1-CZ 3.86Å |
| 164 | Y | 91.3 | Very high | 85.1 | Confident | 86 Ų | 86 | 84.1 Ų | 84.1 | 34% | 0.337 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66 | -41.7 | 174.2 | -81.8 | -51.7 | 0 | 0 | 0 | 113.2 | Q160 A161 Q167 S168 L179 D201 F202 | Q160-Y164 WeakPolarHBondContact O-CD2 3.42Å; Q160-Y164 PolarHBondContact O-N 3.39Å; A161-Y164 PolarHBondContact O-N 3.45Å; A161-Y164 VanDerWaalsContact O-N 3.15Å; Y164-Q167 PolarHBondContact O-N 3.27Å; Y164-S168 PolarHBondContact O-N 3.37Å; Y164-L179 HydrophobicContact CE1-CD2 3.87Å; Y164-D201 PolarHBondContact OH-OD1 3.04Å; Y164-F202 HydrophobicContact CD2-CD2 4.39Å; Y164-F202 HydrophobicContact CD2-CE2 4.02Å; Y164-F202 AromaticContact CE2-CD2 3.52Å; Y164-F202 HydrophobicContact CE2-CD2 3.52Å; Y164-F202 AromaticContact CE2-CE2 3.5Å; Y164-F202 HydrophobicContact CE2-CE2 3.5Å; Y164-F202 AromaticContact CZ-CD2 3.87Å; Y164-F202 AromaticContact CZ-CE2 3.83Å |
| 165 | E | 91.7 | Very high | 83.6 | Confident | 122 Ų | 122 | 87.7 Ų | 87.7 | 57% | 0.57 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -59.3 | -49.3 | 173.6 | -74 | 176.8 | -179 | 0 | 0 | 110.1 | A161 Q167 S168 E169 | A161-E165 WeakPolarHBondContact O-CG 3.44Å; A161-E165 PolarHBondContact O-N 2.86Å; E165-Q167 PolarHBondContact O-N 3.43Å; E165-S168 WeakPolarHBondContact O-CB 3.49Å; E165-S168 PolarHBondContact O-N 2.63Å; E165-S168 PolarHBondContact O-OG 3.46Å; E165-E169 PolarHBondContact O-N 2.88Å; E165-E169 VanDerWaalsContact O-N 3.13Å |
| 166 | L | 89.1 | Confident | 82.2 | Confident | 57 Ų | 57 | 86 Ų | 86 | 30% | 0.298 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 178.2 | -174.3 | 56.5 | 0 | 0 | 0 | 111.9 | A162 L163 S168 E169 F170 L182 F186 | A162-L166 VanDerWaalsContact O-CB 3.26Å; A162-L166 WeakPolarHBondContact O-CB 3.45Å; A162-L166 PolarHBondContact O-N 3.5Å; L163-L166 PolarHBondContact O-N 2.9Å; L166-S168 PolarHBondContact O-N 3.27Å; L166-E169 PolarHBondContact O-N 3.15Å; L166-F170 HydrophobicContact CD1-CD2 4.44Å; L166-F170 WeakPolarHBondContact O-CB 3.48Å; L166-F170 PolarHBondContact O-N 2.89Å; L166-L182 HydrophobicContact CB-CD2 4.2Å; L166-L182 HydrophobicContact CD2-CD1 3.9Å; L166-L182 HydrophobicContact CD2-CD2 4.03Å; L166-L182 HydrophobicContact CD2-CG 4.39Å; L166-L182 HydrophobicContact CG-CD1 4.36Å; L166-L182 HydrophobicContact CG-CD2 4.12Å; L166-F186 HydrophobicContact CD2-CE2 3.63Å; L166-F186 HydrophobicContact CD2-CZ 3.79Å |
| 167 | Q | 87.3 | Confident | 81.2 | Confident | 40 Ų | 40 | 84.2 Ų | 84.2 | 19% | 0.187 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -59.1 | -35.4 | 174.3 | -174.2 | -177.2 | 43.5 | 0 | 0 | 112.1 | L163 Y164 E165 A177 | L163-Q167 VanDerWaalsContact O-CB 3.31Å; L163-Q167 WeakPolarHBondContact O-CB 3.43Å; L163-Q167 PolarHBondContact O-N 2.99Å; Y164-Q167 PolarHBondContact O-N 3.27Å; E165-Q167 PolarHBondContact O-N 3.43Å; Q167-A177 VanDerWaalsContact CG-O 3.3Å; Q167-A177 WeakPolarHBondContact CG-O 3.41Å; Q167-A177 PolarHBondContact NE2-O 3.34Å |
| 168 | S | 83 | Confident | 80.7 | Confident | 83 Ų | 83 | 84.5 Ų | 84.5 | 58% | 0.58 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -72.9 | -32.8 | 179.7 | 80.4 | 0 | 0 | 0 | 0 | 113.2 | Y164 E165 L166 | Y164-S168 PolarHBondContact O-N 3.37Å; E165-S168 WeakPolarHBondContact O-CB 3.49Å; E165-S168 PolarHBondContact O-N 2.63Å; E165-S168 PolarHBondContact O-OG 3.46Å; L166-S168 PolarHBondContact O-N 3.27Å |
| 169 | E | 79.8 | Confident | 80.4 | Confident | 156 Ų | 156 | 80.7 Ų | 80.7 | 73% | 0.729 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -87.6 | -25.1 | -179.6 | -66 | -174.8 | -175.3 | 0 | 0 | 112.7 | E165 L166 | E165-E169 PolarHBondContact O-N 2.88Å; E165-E169 VanDerWaalsContact O-N 3.13Å; L166-E169 PolarHBondContact O-N 3.15Å |
| 170 | F | 66.8 | Low | 80.2 | Confident | 109 Ų | 109 | 79.6 Ų | 79.6 | 48% | 0.478 | 42% | 0.421 | S | S | . | . | trans | -97.9 | 102.6 | -173.7 | -143.8 | -101.1 | 0 | 0 | 0 | 111.8 | L166 V172 A177 | L166-F170 HydrophobicContact CD1-CD2 4.44Å; L166-F170 WeakPolarHBondContact O-CB 3.48Å; L166-F170 PolarHBondContact O-N 2.89Å; F170-V172 HydrophobicContact CD1-CG2 3.45Å; F170-V172 VanDerWaalsContact CD1-CG2 3.45Å; F170-V172 HydrophobicContact CE1-CG2 3.48Å; F170-V172 VanDerWaalsContact CE1-CG2 3.48Å; F170-A177 HydrophobicContact CD1-CB 4.49Å; F170-A177 PolarHBondContact O-N 3.25Å | ||
| 171 | L | 61.8 | Low | 79.9 | Confident | 120 Ų | 120 | 83.9 Ų | 83.9 | 63% | 0.628 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 112.4 | 169.4 | -67.1 | 170.9 | 0 | 0 | 0 | 109.2 | K176 | L171-K176 HydrophobicContact CD2-CG 4.44Å |
| 172 | V | 59.3 | Low | 79.7 | Confident | 70 Ų | 70 | 82.2 Ų | 82.2 | 42% | 0.424 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 119.7 | 169.9 | -174.4 | 0 | 0 | 0 | 0 | 107.5 | F170 G174 R175 A177 | F170-V172 HydrophobicContact CD1-CG2 3.45Å; F170-V172 VanDerWaalsContact CD1-CG2 3.45Å; F170-V172 HydrophobicContact CE1-CG2 3.48Å; F170-V172 VanDerWaalsContact CE1-CG2 3.48Å; V172-G174 PolarHBondContact O-N 2.92Å; V172-G174 VanDerWaalsContact O-N 3.12Å; V172-R175 PolarHBondContact N-O 3Å; V172-R175 PolarHBondContact O-N 3.33Å; V172-A177 HydrophobicContact CG2-CB 4.27Å |
| 173 | D | 59.5 | Low | 79.6 | Confident | 167 Ų | 167 | 79.9 Ų | 79.9 | 89% | 0.893 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 33 | 176.8 | -99.5 | -6.7 | 0 | 0 | 0 | 115 | R175 | D173-R175 PolarHBondContact O-N 2.88Š|
| 174 | G | 64.1 | Low | 79.6 | Confident | 70 Ų | 70 | 83.7 Ų | 83.7 | 72% | 0.722 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 6.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | V172 | V172-G174 PolarHBondContact O-N 2.92Å; V172-G174 VanDerWaalsContact O-N 3.12Å |
| 175 | R | 66.3 | Low | 79.6 | Confident | 200 Ų | 200 | 86 Ų | 86 | 76% | 0.755 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 151.7 | 167.5 | -62.1 | -164.8 | -66.3 | -179.4 | 2.6 | 109.8 | V172 D173 A177 | V172-R175 PolarHBondContact N-O 3Å; V172-R175 PolarHBondContact O-N 3.33Å; D173-R175 PolarHBondContact O-N 2.88Å; R175-A177 PolarHBondContact O-N 3.35Å |
| 176 | K | 68 | Low | 79.5 | Confident | 155 Ų | 155 | 85.7 Ų | 85.7 | 67% | 0.674 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 133.5 | 169.4 | -63.1 | -176.3 | 176.9 | -174.2 | 0 | 107.4 | L171 D178 | L171-K176 HydrophobicContact CD2-CG 4.44Å; K176-D178 PolarHBondContact O-N 3.47Å |
| 177 | A | 74.7 | Confident | 79.7 | Confident | 8 Ų | 8 | 86.1 Ų | 86.1 | 7% | 0.066 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -54.3 | 136.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q167 F170 V172 R175 | Q167-A177 VanDerWaalsContact CG-O 3.3Å; Q167-A177 WeakPolarHBondContact CG-O 3.41Å; Q167-A177 PolarHBondContact NE2-O 3.34Å; F170-A177 HydrophobicContact CD1-CB 4.49Å; F170-A177 PolarHBondContact O-N 3.25Å; V172-A177 HydrophobicContact CG2-CB 4.27Å; R175-A177 PolarHBondContact O-N 3.35Å |
| 178 | D | 86.7 | Confident | 80 | Confident | 75 Ų | 75 | 87.4 Ų | 87.4 | 40% | 0.401 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 141.7 | 175.3 | -173.4 | 40.2 | 0 | 0 | 0 | 109.4 | K176 S180 E181 L182 | K176-D178 PolarHBondContact O-N 3.47Å; D178-S180 PolarHBondContact O-N 3.48Å; D178-S180 WeakPolarHBondContact OD2-CB 3.35Å; D178-S180 PolarHBondContact OD2-OG 3.46Å; D178-E181 HydrophobicContact CB-CB 4.36Å; D178-E181 HydrophobicContact CB-CG 4.04Å; D178-E181 PolarHBondContact O-N 2.9Å; D178-L182 PolarHBondContact O-N 3.31Å; D178-L182 VanDerWaalsContact O-N 3.11Å |
| 179 | L | 88.9 | Confident | 80.5 | Confident | 2 Ų | 2 | 87.7 Ų | 87.7 | 1% | 0.01 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -63.1 | -35.3 | -177.6 | -174.8 | 57.5 | 0 | 0 | 0 | 110.5 | L163 Y164 L182 I183 F195 F202 | L163-L179 HydrophobicContact CB-CD1 3.84Å; Y164-L179 HydrophobicContact CE1-CD2 3.87Å; L179-L182 PolarHBondContact O-N 3.16Å; L179-I183 HydrophobicContact CG-CD1 4.09Å; L179-I183 VanDerWaalsContact O-CG1 3.25Å; L179-I183 WeakPolarHBondContact O-CG1 3.41Å; L179-I183 PolarHBondContact O-N 3.09Å; L179-F195 HydrophobicContact CB-CE2 4.25Å; L179-F195 HydrophobicContact CB-CZ 4.3Å; L179-F195 HydrophobicContact CD2-CD2 4.14Å; L179-F195 HydrophobicContact CD2-CE2 3.58Å; L179-F195 HydrophobicContact CD2-CZ 4.43Å; L179-F195 HydrophobicContact CG-CD2 4.48Å; L179-F195 HydrophobicContact CG-CE2 3.82Å; L179-F195 HydrophobicContact CG-CZ 4.25Å; L179-F202 HydrophobicContact CD1-CZ 4.16Å; L179-F202 HydrophobicContact CD2-CD2 4.39Å; L179-F202 HydrophobicContact CD2-CE1 4.43Å; L179-F202 HydrophobicContact CD2-CE2 3.71Å; L179-F202 HydrophobicContact CD2-CZ 3.74Å; L179-F202 HydrophobicContact CG-CZ 4.28Å |
| 180 | S | 90.4 | Very high | 81.1 | Confident | 17 Ų | 17 | 82.4 Ų | 82.4 | 12% | 0.119 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 174.8 | -36.3 | 0 | 0 | 0 | 0 | 112.3 | D178 L182 I183 D184 | D178-S180 PolarHBondContact O-N 3.48Å; D178-S180 WeakPolarHBondContact OD2-CB 3.35Å; D178-S180 PolarHBondContact OD2-OG 3.46Å; S180-L182 VanDerWaalsContact C-N 3.29Å; S180-L182 PolarHBondContact O-N 2.97Å; S180-I183 PolarHBondContact O-N 3.48Å; S180-D184 WeakPolarHBondContact O-CB 3.33Å; S180-D184 VanDerWaalsContact O-CG 3.22Å; S180-D184 PolarHBondContact O-N 3.44Å |
| 181 | E | 89.2 | Confident | 82.3 | Confident | 121 Ų | 121 | 81.2 Ų | 81.2 | 57% | 0.565 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.9 | -37.5 | 178.3 | -69.9 | 177.2 | 171.8 | 0 | 0 | 111.5 | D178 D184 L185 | D178-E181 HydrophobicContact CB-CB 4.36Å; D178-E181 HydrophobicContact CB-CG 4.04Å; D178-E181 PolarHBondContact O-N 2.9Å; E181-D184 PolarHBondContact O-N 2.92Å; E181-L185 WeakPolarHBondContact O-CB 3.17Å; E181-L185 PolarHBondContact O-N 2.87Å |
| 182 | L | 89.9 | Confident | 83.8 | Confident | 10 Ų | 10 | 80.9 Ų | 80.9 | 5% | 0.052 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -67.3 | -44.4 | 178.1 | -166.4 | 62.6 | 0 | 0 | 0 | 111.4 | L163 L166 D178 L179 S180 D184 L185 F186 | L163-L182 HydrophobicContact CB-CD2 4.41Å; L163-L182 HydrophobicContact CD2-CD2 3.62Å; L163-L182 HydrophobicContact CD2-CG 3.84Å; L166-L182 HydrophobicContact CB-CD2 4.2Å; L166-L182 HydrophobicContact CD2-CD1 3.9Å; L166-L182 HydrophobicContact CD2-CD2 4.03Å; L166-L182 HydrophobicContact CD2-CG 4.39Å; L166-L182 HydrophobicContact CG-CD1 4.36Å; L166-L182 HydrophobicContact CG-CD2 4.12Å; D178-L182 PolarHBondContact O-N 3.31Å; D178-L182 VanDerWaalsContact O-N 3.11Å; L179-L182 PolarHBondContact O-N 3.16Å; S180-L182 VanDerWaalsContact C-N 3.29Å; S180-L182 PolarHBondContact O-N 2.97Å; L182-D184 VanDerWaalsContact C-N 3.31Å; L182-D184 PolarHBondContact O-N 3.26Å; L182-L185 PolarHBondContact O-N 2.82Å; L182-F186 HydrophobicContact CD1-CD2 4.05Å; L182-F186 HydrophobicContact CD1-CE2 3.5Å; L182-F186 HydrophobicContact CG-CD2 4.04Å; L182-F186 HydrophobicContact CG-CE2 3.86Å; L182-F186 WeakPolarHBondContact O-CD2 3.27Å; L182-F186 PolarHBondContact O-N 3.31Å; L182-F186 VanDerWaalsContact O-N 3.11Å |
| 183 | I | 92.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.8 | -45.1 | 174.8 | -72.1 | 168.8 | 0 | 0 | 0 | 110.3 | L163 L179 S180 F186 G187 L188 L193 F195 F202 | L163-I183 HydrophobicContact CD1-CG1 4.18Å; L179-I183 HydrophobicContact CG-CD1 4.09Å; L179-I183 VanDerWaalsContact O-CG1 3.25Å; L179-I183 WeakPolarHBondContact O-CG1 3.41Å; L179-I183 PolarHBondContact O-N 3.09Å; S180-I183 PolarHBondContact O-N 3.48Å; I183-F186 PolarHBondContact O-N 2.85Å; I183-G187 PolarHBondContact O-N 2.92Å; I183-L188 HydrophobicContact CG2-CB 4.06Å; I183-L188 WeakPolarHBondContact CG2-O 3.33Å; I183-L188 PolarHBondContact O-N 3.1Å; I183-L193 HydrophobicContact CD1-CD1 4.28Å; I183-L193 HydrophobicContact CG1-CD1 4.08Å; I183-F195 HydrophobicContact CD1-CB 4Å; I183-F195 HydrophobicContact CD1-CD1 3.5Å; I183-F195 HydrophobicContact CD1-CD2 3.74Å; I183-F195 HydrophobicContact CD1-CE1 3.81Å; I183-F195 HydrophobicContact CD1-CE2 4.05Å; I183-F195 HydrophobicContact CD1-CG 3.46Å; I183-F195 VanDerWaalsContact CD1-CG 3.46Å; I183-F195 HydrophobicContact CD1-CZ 4.08Å; I183-F202 HydrophobicContact CD1-CE1 4.23Å |
| 184 | D | 91.9 | Very high | 87.1 | Confident | 90 Ų | 90 | 71.5 Ų | 71.5 | 48% | 0.481 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 177.9 | -70 | -23.4 | 0 | 0 | 0 | 112.3 | S180 E181 L182 F186 G187 R197 | S180-D184 WeakPolarHBondContact O-CB 3.33Å; S180-D184 VanDerWaalsContact O-CG 3.22Å; S180-D184 PolarHBondContact O-N 3.44Å; E181-D184 PolarHBondContact O-N 2.92Å; L182-D184 VanDerWaalsContact C-N 3.31Å; L182-D184 PolarHBondContact O-N 3.26Å; D184-F186 VanDerWaalsContact C-N 3.33Å; D184-F186 PolarHBondContact O-N 3.45Å; D184-G187 PolarHBondContact O-N 3.44Å; D184-G187 VanDerWaalsContact O-N 3.13Å; D184-R197 VanDerWaalsContact CG-NH1 3.35Å; D184-R197 IonicContact OD1-CZ 3.96Å; D184-R197 VanDerWaalsContact OD1-CZ 3.28Å; D184-R197 IonicContact OD1-NH1 3.4Å; D184-R197 PolarHBondContact OD1-NH1 2.88Å; D184-R197 IonicContact OD1-NH2 3.51Å; D184-R197 PolarHBondContact OD1-NH2 3.37Å; D184-R197 IonicContact OD2-CZ 3.39Å; D184-R197 IonicContact OD2-NH1 2.78Å; D184-R197 PolarHBondContact OD2-NH1 2.77Å |
| 185 | L | 90.4 | Very high | 88.4 | Confident | 134 Ų | 134 | 68.8 Ų | 68.8 | 70% | 0.702 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.2 | -38.3 | 178.3 | -178.3 | 63.8 | 0 | 0 | 0 | 112.4 | E181 L182 G187 | E181-L185 WeakPolarHBondContact O-CB 3.17Å; E181-L185 PolarHBondContact O-N 2.87Å; L182-L185 PolarHBondContact O-N 2.82Å; L185-G187 VanDerWaalsContact C-N 3.33Å |
| 186 | F | 90.4 | Very high | 89.7 | Confident | 115 Ų | 115 | 61.9 Ų | 61.9 | 50% | 0.504 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -85 | -5.4 | 176.4 | -71.5 | -67 | 0 | 0 | 0 | 113.5 | L163 L166 L182 I183 D184 L188 | L163-F186 HydrophobicContact CD2-CD2 4.35Å; L166-F186 HydrophobicContact CD2-CE2 3.63Å; L166-F186 HydrophobicContact CD2-CZ 3.79Å; L182-F186 HydrophobicContact CD1-CD2 4.05Å; L182-F186 HydrophobicContact CD1-CE2 3.5Å; L182-F186 HydrophobicContact CG-CD2 4.04Å; L182-F186 HydrophobicContact CG-CE2 3.86Å; L182-F186 WeakPolarHBondContact O-CD2 3.27Å; L182-F186 PolarHBondContact O-N 3.31Å; L182-F186 VanDerWaalsContact O-N 3.11Å; I183-F186 PolarHBondContact O-N 2.85Å; D184-F186 VanDerWaalsContact C-N 3.33Å; D184-F186 PolarHBondContact O-N 3.45Å; F186-L188 VanDerWaalsContact C-N 3.28Å; F186-L188 HydrophobicContact CB-CD1 3.85Å; F186-L188 HydrophobicContact CB-CD2 4.4Å; F186-L188 HydrophobicContact CB-CG 3.7Å; F186-L188 PolarHBondContact O-N 3.23Å |
| 187 | G | 92.6 | Very high | 90.7 | Very high | 66 Ų | 66 | 59.6 Ų | 59.6 | 68% | 0.68 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 35.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | I183 D184 L185 | I183-G187 PolarHBondContact O-N 2.92Å; D184-G187 PolarHBondContact O-N 3.44Å; D184-G187 VanDerWaalsContact O-N 3.13Å; L185-G187 VanDerWaalsContact C-N 3.33Å |
| 188 | L | 93.3 | Very high | 91.4 | Very high | 67 Ų | 67 | 63.7 Ų | 63.7 | 35% | 0.351 | 36% | 0.359 | S | S | . | . | trans | -83 | 141 | -179.6 | -59 | 172.6 | 0 | 0 | 0 | 109.8 | L163 I183 F186 L193 | L163-L188 HydrophobicContact CD1-CD1 4.14Å; L163-L188 HydrophobicContact CD2-CD1 4.23Å; I183-L188 HydrophobicContact CG2-CB 4.06Å; I183-L188 WeakPolarHBondContact CG2-O 3.33Å; I183-L188 PolarHBondContact O-N 3.1Å; F186-L188 VanDerWaalsContact C-N 3.28Å; F186-L188 HydrophobicContact CB-CD1 3.85Å; F186-L188 HydrophobicContact CB-CD2 4.4Å; F186-L188 HydrophobicContact CB-CG 3.7Å; F186-L188 PolarHBondContact O-N 3.23Å; L188-L193 HydrophobicContact CB-CD1 3.66Å; L188-L193 HydrophobicContact CD1-CD1 3.82Å; L188-L193 HydrophobicContact CG-CD1 4.32Å | ||
| 189 | D | 93.6 | Very high | 91.4 | Very high | 90 Ų | 90 | 67 Ų | 67 | 48% | 0.481 | 37% | 0.372 | S | S | . | . | trans | -83.7 | 125.3 | 178.4 | -169.7 | -44.4 | 0 | 0 | 0 | 110.3 | S191 I192 L193 | D189-S191 VanDerWaalsContact CG-OG 3.28Å; D189-S191 PolarHBondContact O-N 2.64Å; D189-S191 VanDerWaalsContact OD1-CB 3.28Å; D189-S191 WeakPolarHBondContact OD1-CB 3.41Å; D189-S191 PolarHBondContact OD1-N 3.01Å; D189-S191 PolarHBondContact OD1-OG 2.85Å; D189-I192 HydrophobicContact CB-CB 4.3Å; D189-I192 HydrophobicContact CB-CD1 3.88Å; D189-I192 HydrophobicContact CB-CG1 3.95Å; D189-I192 PolarHBondContact O-N 3.37Å; D189-L193 PolarHBondContact O-N 2.9Å | ||
| 190 | D | 93.1 | Very high | 91.2 | Very high | 44 Ų | 44 | 68.3 Ų | 68.3 | 24% | 0.235 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -53.3 | -37.1 | 178 | -58.1 | -10 | 0 | 0 | 0 | 112 | I192 L193 C194 F195 R197 | D190-I192 PolarHBondContact O-N 3.49Å; D190-L193 PolarHBondContact O-N 2.98Å; D190-C194 CarbonylContact O-C 3.54Å; D190-C194 VanDerWaalsContact O-CA 3.3Å; D190-C194 WeakPolarHBondContact O-CA 3.48Å; D190-C194 PolarHBondContact O-N 3.04Å; D190-F195 HydrophobicContact CB-CB 4.44Å; D190-F195 PolarHBondContact O-N 2.9Å; D190-R197 IonicContact OD1-CZ 3.28Å; D190-R197 IonicContact OD1-NE 3.01Å; D190-R197 PolarHBondContact OD1-NE 3.02Å; D190-R197 IonicContact OD1-NH2 2.7Å; D190-R197 PolarHBondContact OD1-NH2 3.39Å; D190-R197 IonicContact OD2-CZ 2.95Å; D190-R197 IonicContact OD2-NE 2.84Å; D190-R197 PolarHBondContact OD2-NE 3.2Å; D190-R197 IonicContact OD2-NH2 3.55Å; D190-R197 PolarHBondContact OD2-NH2 2.9Å |
| 191 | S | 92.5 | Very high | 91.2 | Very high | 85 Ų | 85 | 71.2 Ų | 71.2 | 59% | 0.594 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -71 | -30.1 | -179.5 | 70.3 | 0 | 0 | 0 | 0 | 113.3 | D189 | D189-S191 VanDerWaalsContact CG-OG 3.28Å; D189-S191 PolarHBondContact O-N 2.64Å; D189-S191 VanDerWaalsContact OD1-CB 3.28Å; D189-S191 WeakPolarHBondContact OD1-CB 3.41Å; D189-S191 PolarHBondContact OD1-N 3.01Å; D189-S191 PolarHBondContact OD1-OG 2.85Å |
| 192 | I | 93.3 | Very high | 91.4 | Very high | 112 Ų | 112 | 66.7 Ų | 66.7 | 57% | 0.574 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -76.6 | -39.3 | 178.7 | -63.2 | 178 | 0 | 0 | 0 | 109.8 | R156 D189 D190 C194 | R156-I192 PolarHBondContact NE-O 3.27Å; D189-I192 HydrophobicContact CB-CB 4.3Å; D189-I192 HydrophobicContact CB-CD1 3.88Å; D189-I192 HydrophobicContact CB-CG1 3.95Å; D189-I192 PolarHBondContact O-N 3.37Å; D190-I192 PolarHBondContact O-N 3.49Å; I192-C194 VanDerWaalsContact C-N 3.34Å |
| 193 | L | 92.9 | Very high | 91.2 | Very high | 10 Ų | 10 | 69.1 Ų | 69.1 | 5% | 0.052 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -83.1 | -9.2 | 177.1 | -72.5 | 174.2 | 0 | 0 | 0 | 113.8 | A159 Q160 L163 I183 L188 D189 D190 F195 F202 | A159-L193 HydrophobicContact CB-CD2 4.02Å; Q160-L193 HydrophobicContact CG-CD2 4.4Å; Q160-L193 PolarHBondContact NE2-O 3.13Å; L163-L193 HydrophobicContact CD1-CD1 3.83Å; L163-L193 HydrophobicContact CD1-CD2 4.38Å; I183-L193 HydrophobicContact CD1-CD1 4.28Å; I183-L193 HydrophobicContact CG1-CD1 4.08Å; L188-L193 HydrophobicContact CB-CD1 3.66Å; L188-L193 HydrophobicContact CD1-CD1 3.82Å; L188-L193 HydrophobicContact CG-CD1 4.32Å; D189-L193 PolarHBondContact O-N 2.9Å; D190-L193 PolarHBondContact O-N 2.98Å; L193-F195 VanDerWaalsContact C-N 3.31Å; L193-F195 HydrophobicContact CB-CB 4.45Å; L193-F202 HydrophobicContact CB-CD1 4.33Å; L193-F202 HydrophobicContact CB-CE1 4.04Å; L193-F202 HydrophobicContact CD1-CE1 4.42Å; L193-F202 WeakPolarHBondContact O-CD1 3.33Å |
| 194 | C | 93.7 | Very high | 90.1 | Very high | 31 Ų | 31 | 78.9 Ų | 78.9 | 21% | 0.209 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 48.8 | -169.1 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | D190 I192 F202 T203 | D190-C194 CarbonylContact O-C 3.54Å; D190-C194 VanDerWaalsContact O-CA 3.3Å; D190-C194 WeakPolarHBondContact O-CA 3.48Å; D190-C194 PolarHBondContact O-N 3.04Å; I192-C194 VanDerWaalsContact C-N 3.34Å; C194-F202 CarbonylContact O-C 3.43Å; C194-F202 VanDerWaalsContact O-CA 3.24Å; C194-F202 WeakPolarHBondContact O-CA 3.4Å; C194-T203 VanDerWaalsContact CB-O 3.25Å; C194-T203 WeakPolarHBondContact CB-O 3.06Å; C194-T203 PolarHBondContact O-N 3.49Å; C194-T203 PolarHBondContact O-OG1 3.45Å; C194-T203 VanDerWaalsContact O-OG1 3.07Å |
| 195 | F | 93.3 | Very high | 90 | Very high | 13 Ų | 13 | 78.4 Ų | 78.4 | 6% | 0.057 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 128.4 | 179.2 | -177 | -113.9 | 0 | 0 | 0 | 110.8 | L179 I183 D190 L193 R197 G200 D201 F202 | L179-F195 HydrophobicContact CB-CE2 4.25Å; L179-F195 HydrophobicContact CB-CZ 4.3Å; L179-F195 HydrophobicContact CD2-CD2 4.14Å; L179-F195 HydrophobicContact CD2-CE2 3.58Å; L179-F195 HydrophobicContact CD2-CZ 4.43Å; L179-F195 HydrophobicContact CG-CD2 4.48Å; L179-F195 HydrophobicContact CG-CE2 3.82Å; L179-F195 HydrophobicContact CG-CZ 4.25Å; I183-F195 HydrophobicContact CD1-CB 4Å; I183-F195 HydrophobicContact CD1-CD1 3.5Å; I183-F195 HydrophobicContact CD1-CD2 3.74Å; I183-F195 HydrophobicContact CD1-CE1 3.81Å; I183-F195 HydrophobicContact CD1-CE2 4.05Å; I183-F195 HydrophobicContact CD1-CG 3.46Å; I183-F195 VanDerWaalsContact CD1-CG 3.46Å; I183-F195 HydrophobicContact CD1-CZ 4.08Å; D190-F195 HydrophobicContact CB-CB 4.44Å; D190-F195 PolarHBondContact O-N 2.9Å; L193-F195 VanDerWaalsContact C-N 3.31Å; L193-F195 HydrophobicContact CB-CB 4.45Å; F195-R197 HydrophobicContact CD1-CG 3.94Å; F195-R197 HydrophobicContact CE1-CB 4.48Å; F195-R197 HydrophobicContact CE1-CG 3.83Å; F195-G200 VanDerWaalsContact CE2-C 3.46Å; F195-D201 WeakPolarHBondContact CD2-O 3.29Å; F195-F202 HydrophobicContact CB-CD1 3.91Å; F195-F202 HydrophobicContact CB-CE1 4.05Å; F195-F202 AromaticContact CD2-CD1 3.82Å; F195-F202 HydrophobicContact CD2-CD1 3.82Å; F195-F202 AromaticContact CD2-CE1 3.83Å; F195-F202 HydrophobicContact CD2-CE1 3.83Å; F195-F202 HydrophobicContact CG-CD1 4.35Å; F195-F202 HydrophobicContact CG-CE1 4.3Å |
| 196 | D | 92.2 | Very high | 89.9 | Confident | 55 Ų | 55 | 75.4 Ų | 75.4 | 29% | 0.294 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 112.4 | 171.2 | -171.8 | -10.1 | 0 | 0 | 0 | 110.1 | A198 E199 G200 D201 T203 | D196-A198 PolarHBondContact O-N 3.03Å; D196-A198 VanDerWaalsContact OD1-CB 3.32Å; D196-A198 WeakPolarHBondContact OD1-CB 3.21Å; D196-A198 PolarHBondContact OD1-N 2.96Å; D196-E199 HydrophobicContact CB-CB 4.28Å; D196-E199 PolarHBondContact O-N 2.86Å; D196-G200 WeakPolarHBondContact O-CA 3.32Å; D196-G200 PolarHBondContact O-N 3.19Å; D196-D201 PolarHBondContact N-O 3.13Å; D196-T203 HydrophobicContact CB-CG2 3.8Å |
| 197 | R | 90.4 | Very high | 89.9 | Confident | 107 Ų | 107 | 73.2 Ų | 73.2 | 40% | 0.404 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -22.1 | 177.2 | -64 | -163.1 | 178.6 | -114.4 | -7.3 | 113.6 | D184 D190 F195 | D184-R197 VanDerWaalsContact CG-NH1 3.35Å; D184-R197 IonicContact OD1-CZ 3.96Å; D184-R197 VanDerWaalsContact OD1-CZ 3.28Å; D184-R197 IonicContact OD1-NH1 3.4Å; D184-R197 PolarHBondContact OD1-NH1 2.88Å; D184-R197 IonicContact OD1-NH2 3.51Å; D184-R197 PolarHBondContact OD1-NH2 3.37Å; D184-R197 IonicContact OD2-CZ 3.39Å; D184-R197 IonicContact OD2-NH1 2.78Å; D184-R197 PolarHBondContact OD2-NH1 2.77Å; D190-R197 IonicContact OD1-CZ 3.28Å; D190-R197 IonicContact OD1-NE 3.01Å; D190-R197 PolarHBondContact OD1-NE 3.02Å; D190-R197 IonicContact OD1-NH2 2.7Å; D190-R197 PolarHBondContact OD1-NH2 3.39Å; D190-R197 IonicContact OD2-CZ 2.95Å; D190-R197 IonicContact OD2-NE 2.84Å; D190-R197 PolarHBondContact OD2-NE 3.2Å; D190-R197 IonicContact OD2-NH2 3.55Å; D190-R197 PolarHBondContact OD2-NH2 2.9Å; F195-R197 HydrophobicContact CD1-CG 3.94Å; F195-R197 HydrophobicContact CE1-CB 4.48Å; F195-R197 HydrophobicContact CE1-CG 3.83Å |
| 198 | A | 88.3 | Confident | 89.8 | Confident | 93 Ų | 93 | 73.6 Ų | 73.6 | 77% | 0.769 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -38.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D196 | D196-A198 PolarHBondContact O-N 3.03Å; D196-A198 VanDerWaalsContact OD1-CB 3.32Å; D196-A198 WeakPolarHBondContact OD1-CB 3.21Å; D196-A198 PolarHBondContact OD1-N 2.96Å |
| 199 | E | 86.6 | Confident | 89.5 | Confident | 145 Ų | 145 | 74.1 Ų | 74.1 | 68% | 0.678 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -25.1 | 178.5 | -62.8 | -170.1 | 170.3 | 0 | 0 | 112.6 | D196 D201 | D196-E199 HydrophobicContact CB-CB 4.28Å; D196-E199 PolarHBondContact O-N 2.86Å; E199-D201 VanDerWaalsContact C-N 3.3Å |
| 200 | G | 85.9 | Confident | 89.3 | Confident | 30 Ų | 30 | 73 Ų | 73 | 31% | 0.309 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 22.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | F195 D196 | F195-G200 VanDerWaalsContact CE2-C 3.46Å; D196-G200 WeakPolarHBondContact O-CA 3.32Å; D196-G200 PolarHBondContact O-N 3.19Å |
| 201 | D | 90 | Very high | 89 | Confident | 78 Ų | 78 | 75.1 Ų | 75.1 | 42% | 0.417 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 167 | -177.6 | -157.6 | -12.5 | 0 | 0 | 0 | 110.9 | Y164 F195 D196 E199 | Y164-D201 PolarHBondContact OH-OD1 3.04Å; F195-D201 WeakPolarHBondContact CD2-O 3.29Å; D196-D201 PolarHBondContact N-O 3.13Å; E199-D201 VanDerWaalsContact C-N 3.3Å |
| 202 | F | 92.1 | Very high | 88.7 | Confident | 26 Ų | 26 | 74.3 Ų | 74.3 | 11% | 0.114 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 128.1 | 174.5 | -56.7 | -67.2 | 0 | 0 | 0 | 111.2 | Q160 L163 Y164 L179 I183 L193 C194 F195 | Q160-F202 HydrophobicContact CB-CD2 3.8Å; Q160-F202 HydrophobicContact CB-CE2 3.61Å; Q160-F202 HydrophobicContact CB-CG 4.32Å; Q160-F202 HydrophobicContact CB-CZ 4.01Å; Q160-F202 HydrophobicContact CG-CB 4.46Å; Q160-F202 HydrophobicContact CG-CD1 3.76Å; Q160-F202 HydrophobicContact CG-CD2 3.7Å; Q160-F202 HydrophobicContact CG-CE1 3.82Å; Q160-F202 HydrophobicContact CG-CE2 3.75Å; Q160-F202 HydrophobicContact CG-CG 3.7Å; Q160-F202 HydrophobicContact CG-CZ 3.8Å; L163-F202 HydrophobicContact CB-CZ 4.47Å; L163-F202 HydrophobicContact CD1-CE1 4.43Å; L163-F202 HydrophobicContact CD1-CZ 3.86Å; Y164-F202 HydrophobicContact CD2-CD2 4.39Å; Y164-F202 HydrophobicContact CD2-CE2 4.02Å; Y164-F202 AromaticContact CE2-CD2 3.52Å; Y164-F202 HydrophobicContact CE2-CD2 3.52Å; Y164-F202 AromaticContact CE2-CE2 3.5Å; Y164-F202 HydrophobicContact CE2-CE2 3.5Å; Y164-F202 AromaticContact CZ-CD2 3.87Å; Y164-F202 AromaticContact CZ-CE2 3.83Å; L179-F202 HydrophobicContact CD1-CZ 4.16Å; L179-F202 HydrophobicContact CD2-CD2 4.39Å; L179-F202 HydrophobicContact CD2-CE1 4.43Å; L179-F202 HydrophobicContact CD2-CE2 3.71Å; L179-F202 HydrophobicContact CD2-CZ 3.74Å; L179-F202 HydrophobicContact CG-CZ 4.28Å; I183-F202 HydrophobicContact CD1-CE1 4.23Å; L193-F202 HydrophobicContact CB-CD1 4.33Å; L193-F202 HydrophobicContact CB-CE1 4.04Å; L193-F202 HydrophobicContact CD1-CE1 4.42Å; L193-F202 WeakPolarHBondContact O-CD1 3.33Å; C194-F202 CarbonylContact O-C 3.43Å; C194-F202 VanDerWaalsContact O-CA 3.24Å; C194-F202 WeakPolarHBondContact O-CA 3.4Å; F195-F202 HydrophobicContact CB-CD1 3.91Å; F195-F202 HydrophobicContact CB-CE1 4.05Å; F195-F202 AromaticContact CD2-CD1 3.82Å; F195-F202 HydrophobicContact CD2-CD1 3.82Å; F195-F202 AromaticContact CD2-CE1 3.83Å; F195-F202 HydrophobicContact CD2-CE1 3.83Å; F195-F202 HydrophobicContact CG-CD1 4.35Å; F195-F202 HydrophobicContact CG-CE1 4.3Å |
| 203 | T | 85.9 | Confident | 88.3 | Confident | 60 Ų | 60 | 71.2 Ų | 71.2 | 37% | 0.368 | 41% | 0.411 | S | S | . | . | trans | -80.4 | 138.3 | 172.2 | 60.9 | 0 | 0 | 0 | 0 | 110.9 | C194 D196 | C194-T203 VanDerWaalsContact CB-O 3.25Å; C194-T203 WeakPolarHBondContact CB-O 3.06Å; C194-T203 PolarHBondContact O-N 3.49Å; C194-T203 PolarHBondContact O-OG1 3.45Å; C194-T203 VanDerWaalsContact O-OG1 3.07Å; D196-T203 HydrophobicContact CB-CG2 3.8Å | ||
| 204 | T | 69 | Low | 87.9 | Confident | 206 Ų | 206 | 76.7 Ų | 76.7 | 100% | 1.264 | 44% | 0.444 | S | S | * | . | trans | -64 | 0 | 174.2 | 6.9 | 0 | 0 | 0 | 0 | 114.4 |
Retrieved 204 of 204 residues in 164.2 ms
(Link to these results)