| 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 | 45.5 | Very low | 47.3 | Very low | 256 Ų | 256 | 133 Ų | 133 | 100% | 1.261 | 84% | 0.841 | S | S | * | * | 0 | 111.5 | 0 | -56.7 | -179.7 | -176.5 | 0 | 0 | 106.2 | |||||
| 2 | G | 42.9 | Very low | 46.6 | Very low | 73 Ų | 73 | 135.3 Ų | 135.3 | 75% | 0.753 | 83% | 0.833 | S | S | * | * | cis | 138.2 | 63.5 | 12.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 3 | T | 58.7 | Low | 45.9 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | -155.9 | 127 | 170.6 | 46 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 4 | P | 48.2 | Very low | 45.4 | Very low | 136 Ų | 136 | 144.9 Ų | 144.9 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | trans | -107.1 | 128.6 | 158.6 | 32.4 | -20.8 | 0 | 0 | 0 | 110.2 | ||||
| 5 | S | 52 | Low | 45.3 | Very low | 116 Ų | 116 | 143 Ų | 143 | 81% | 0.811 | 83% | 0.83 | S | S | * | * | trans | -89.5 | 132.1 | 178.5 | -70.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 6 | S | 51 | Low | 44.8 | Very low | 120 Ų | 120 | 146.8 Ų | 146.8 | 84% | 0.839 | 83% | 0.834 | S | S | * | * | trans | 54.9 | 103.3 | 144.6 | -132.7 | 0 | 0 | 0 | 0 | 119.9 | G8 | S6-G8 PolarHBondContact O-N 3.35Š| ||
| 7 | I | 46.6 | Very low | 44.2 | Very low | 169 Ų | 169 | 142.2 Ų | 142.2 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | trans | -73.9 | 114.8 | 161.5 | -67.8 | 166 | 0 | 0 | 0 | 108.1 | A9 | I7-A9 PolarHBondContact O-N 3.42Š| ||
| 8 | G | 42.6 | Very low | 44.2 | Very low | 63 Ų | 63 | 143.9 Ų | 143.9 | 65% | 0.649 | 83% | 0.83 | S | S | * | * | trans | -69.1 | 123.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S6 V10 | S6-G8 PolarHBondContact O-N 3.35Å; G8-V10 PolarHBondContact O-N 2.99Å | ||
| 9 | A | 43.6 | Very low | 43.8 | Very low | 100 Ų | 100 | 139.9 Ų | 139.9 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | trans | -73 | 113.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | I7 H11 | I7-A9 PolarHBondContact O-N 3.42Å; A9-H11 PolarHBondContact O-N 3.49Å | ||
| 10 | V | 48.1 | Very low | 43.8 | Very low | 124 Ų | 124 | 141.7 Ų | 141.7 | 75% | 0.752 | 83% | 0.825 | S | S | * | * | trans | -76.2 | 105.8 | 173.1 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | G8 H12 | G8-V10 PolarHBondContact O-N 2.99Å; V10-H12 PolarHBondContact O-N 3.11Å | ||
| 11 | H | 41.6 | Very low | 44.1 | Very low | 175 Ų | 175 | 140.7 Ų | 140.7 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | trans | -69.3 | 110.9 | 169.5 | -126.9 | -110.8 | 0 | 0 | 0 | 108.3 | A9 E13 | A9-H11 PolarHBondContact O-N 3.49Å; H11-E13 PolarHBondContact O-N 3.28Å | ||
| 12 | H | 38.9 | Very low | 44.1 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | -74.6 | 89.9 | 169.9 | -93 | -87.7 | 0 | 0 | 0 | 109.5 | V10 | V10-H12 PolarHBondContact O-N 3.11Š| ||
| 13 | E | 37.1 | Very low | 44.1 | Very low | 174 Ų | 174 | 140.2 Ų | 140.2 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 122.8 | 158.3 | -77.6 | -170.9 | 129.8 | 0 | 0 | 109.1 | H11 | H11-E13 PolarHBondContact O-N 3.28Š|
| 14 | W | 39 | Very low | 43.4 | Very low | 231 Ų | 231 | 140.8 Ų | 140.8 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 121.1 | 170.6 | -75.2 | 89.8 | 0 | 0 | 0 | 109.1 | ||
| 15 | P | 43 | Very low | 43.4 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 143 | -179.1 | 30.9 | -31.6 | 0 | 0 | 0 | 111 | ||
| 16 | F | 38.2 | Very low | 43.6 | Very low | 204 Ų | 204 | 139.9 Ų | 139.9 | 90% | 0.895 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -52 | 136.7 | 167.7 | -89.5 | -105.3 | 0 | 0 | 0 | 112.5 | ||
| 17 | G | 34.8 | Very low | 43.8 | Very low | 69 Ų | 69 | 139.9 Ų | 139.9 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | 56.6 | 95 | 139.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 18 | I | 44.3 | Very low | 44.3 | Very low | 173 Ų | 173 | 133.5 Ų | 133.5 | 89% | 0.887 | 72% | 0.723 | S | S | * | * | trans | -147.3 | 139.2 | 143.2 | -77.6 | 113.7 | 0 | 0 | 0 | 107.1 | ||||
| 19 | G | 36.5 | Very low | 45.1 | Very low | 68 Ų | 68 | 134.5 Ų | 134.5 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | trans | -66 | 132.5 | -159.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 20 | M | 43 | Very low | 46.2 | Very low | 174 Ų | 174 | 137.4 Ų | 137.4 | 86% | 0.857 | 71% | 0.706 | S | S | * | * | trans | -105.6 | 26.4 | 163.8 | -66.6 | -155.9 | -160.3 | 0 | 0 | 112.2 | ||||
| 21 | N | 50 | Low | 47 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 65% | 0.647 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -90.3 | -33 | -173.9 | -68.6 | -24.5 | 0 | 0 | 0 | 113.1 | E25 | N21-E25 WeakPolarHBondContact O-CG 3.41Å; N21-E25 PolarHBondContact O-N 3.47Å |
| 22 | E | 46.8 | Very low | 48.3 | Very low | 166 Ų | 166 | 129.1 Ų | 129.1 | 78% | 0.776 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -77.7 | -32.9 | -172.2 | -85.6 | 175.9 | 141.7 | 0 | 0 | 114.7 | F24 | E22-F24 VanDerWaalsContact C-N 3.35Å |
| 23 | L | 41.8 | Very low | 49.9 | Very low | 154 Ų | 154 | 130.7 Ų | 130.7 | 81% | 0.806 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -80.1 | -18.7 | 177.5 | -111.5 | 138.8 | 0 | 0 | 0 | 112.9 | ||
| 24 | F | 44.4 | Very low | 51.5 | Low | 143 Ų | 143 | 127.6 Ų | 127.6 | 63% | 0.627 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -79.7 | -31.1 | 175.3 | -161.7 | -101.5 | 0 | 0 | 0 | 111.8 | E22 H28 | E22-F24 VanDerWaalsContact C-N 3.35Å; F24-H28 WeakPolarHBondContact O-CB 3.43Å; F24-H28 PolarHBondContact O-N 2.95Å |
| 25 | E | 48.2 | Very low | 53.1 | Low | 123 Ų | 123 | 120.6 Ų | 120.6 | 58% | 0.575 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.4 | -37.6 | -178.5 | -80.8 | 174.6 | 158.8 | 0 | 0 | 113.9 | N21 H28 T29 | N21-E25 WeakPolarHBondContact O-CG 3.41Å; N21-E25 PolarHBondContact O-N 3.47Å; E25-H28 PolarHBondContact O-N 2.93Å; E25-T29 WeakPolarHBondContact O-CG2 3.31Å; E25-T29 PolarHBondContact O-N 3.28Å; E25-T29 VanDerWaalsContact O-N 3.15Å; E25-T29 PolarHBondContact O-OG1 3.19Å |
| 26 | V | 55.3 | Low | 54.6 | Low | 109 Ų | 109 | 120.7 Ų | 120.7 | 66% | 0.661 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72.2 | -40.7 | -174.2 | -176.3 | 0 | 0 | 0 | 0 | 112.4 | H28 T29 | V26-H28 VanDerWaalsContact C-N 3.33Å; V26-T29 PolarHBondContact O-OG1 3.3Å |
| 27 | N | 55.6 | Low | 56.3 | Low | 121 Ų | 121 | 117.3 Ų | 117.3 | 65% | 0.647 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -72.5 | -28.3 | 175.4 | -90 | -40.8 | 0 | 0 | 0 | 112.6 | A31 | N27-A31 PolarHBondContact O-N 2.65Å |
| 28 | H | 58.4 | Low | 57.9 | Low | 35 Ų | 35 | 121.5 Ų | 121.5 | 16% | 0.162 | 61% | 0.608 | C | S | . | * | H | α-helix | trans | -78.5 | -36.6 | -174.7 | -168.8 | -92.1 | 0 | 0 | 0 | 112.9 | F24 E25 V26 W30 A31 L32 I100 W126 | F24-H28 WeakPolarHBondContact O-CB 3.43Å; F24-H28 PolarHBondContact O-N 2.95Å; E25-H28 PolarHBondContact O-N 2.93Å; V26-H28 VanDerWaalsContact C-N 3.33Å; H28-W30 VanDerWaalsContact C-N 3.34Å; H28-W30 PolarHBondContact O-N 2.91Å; H28-A31 PolarHBondContact O-N 3.19Å; H28-L32 PolarHBondContact O-N 3.5Å; H28-I100 VanDerWaalsContact CE1-CG2 3.42Å; H28-I100 WeakPolarHBondContact CE1-CG2 3.37Å; H28-W126 AromaticContact NE2-CH2 3.83Å; H28-W126 AromaticContact NE2-CZ2 3.89Å |
| 29 | T | 58.9 | Low | 59.1 | Low | 84 Ų | 84 | 119 Ų | 119 | 52% | 0.515 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.4 | -36.1 | 175.2 | 53.6 | 0 | 0 | 0 | 0 | 112.5 | E25 V26 R33 | E25-T29 WeakPolarHBondContact O-CG2 3.31Å; E25-T29 PolarHBondContact O-N 3.28Å; E25-T29 VanDerWaalsContact O-N 3.15Å; E25-T29 PolarHBondContact O-OG1 3.19Å; V26-T29 PolarHBondContact O-OG1 3.3Å; T29-R33 PolarHBondContact O-N 2.97Å; T29-R33 VanDerWaalsContact O-N 3.13Å |
| 30 | W | 66 | Low | 60.7 | Low | 160 Ų | 160 | 124.8 Ų | 124.8 | 61% | 0.606 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.3 | -40.7 | 173.2 | -173.9 | 88.8 | 0 | 0 | 0 | 112.1 | H28 K34 | H28-W30 VanDerWaalsContact C-N 3.34Å; H28-W30 PolarHBondContact O-N 2.91Å; W30-K34 HydrophobicContact CE3-CD 4.4Å; W30-K34 HydrophobicContact CH2-CD 3.7Å; W30-K34 VanDerWaalsContact CH2-CE 3.44Å; W30-K34 HydrophobicContact CZ2-CD 3.88Å; W30-K34 VanDerWaalsContact CZ2-NZ 3.34Å; W30-K34 HydrophobicContact CZ3-CD 3.95Å; W30-K34 PolarHBondContact O-N 3.47Å; W30-K34 VanDerWaalsContact O-N 3.13Å |
| 31 | A | 65.3 | Low | 61.9 | Low | 43 Ų | 43 | 126.7 Ų | 126.7 | 36% | 0.355 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.4 | -43.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N27 H28 K34 V35 | N27-A31 PolarHBondContact O-N 2.65Å; H28-A31 PolarHBondContact O-N 3.19Å; A31-K34 PolarHBondContact O-N 3.43Å; A31-V35 WeakPolarHBondContact O-CG2 3.35Å; A31-V35 PolarHBondContact O-N 2.91Å; A31-V35 VanDerWaalsContact O-N 3.1Å |
| 32 | L | 69.2 | Low | 62.6 | Low | 83 Ų | 83 | 125.8 Ų | 125.8 | 44% | 0.435 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.7 | -41.8 | 177.3 | -72 | -178.7 | 0 | 0 | 0 | 112.5 | H28 K34 V35 E36 | H28-L32 PolarHBondContact O-N 3.5Å; L32-K34 VanDerWaalsContact C-N 3.3Å; L32-K34 PolarHBondContact O-N 3.22Å; L32-V35 PolarHBondContact O-N 3.45Å; L32-E36 PolarHBondContact O-N 2.98Å |
| 33 | R | 71.3 | Confident | 62.8 | Low | 193 Ų | 193 | 124.9 Ų | 124.9 | 73% | 0.728 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -58 | -43 | 174.2 | -99.6 | -173.2 | -173.2 | 142.8 | 2.3 | 112 | T29 V35 E36 E37 | T29-R33 PolarHBondContact O-N 2.97Å; T29-R33 VanDerWaalsContact O-N 3.13Å; R33-V35 PolarHBondContact O-N 3.05Å; R33-E36 PolarHBondContact O-N 3.39Å; R33-E37 VanDerWaalsContact O-CB 3.28Å; R33-E37 WeakPolarHBondContact O-CB 3.37Å; R33-E37 PolarHBondContact O-N 2.87Å |
| 34 | K | 71.2 | Confident | 63.2 | Low | 109 Ų | 109 | 123 Ų | 123 | 47% | 0.474 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.1 | -36.3 | 177.2 | -92.3 | -157.5 | 173.3 | -178.1 | 0 | 113.4 | W30 A31 L32 Y38 | W30-K34 HydrophobicContact CE3-CD 4.4Å; W30-K34 HydrophobicContact CH2-CD 3.7Å; W30-K34 VanDerWaalsContact CH2-CE 3.44Å; W30-K34 HydrophobicContact CZ2-CD 3.88Å; W30-K34 VanDerWaalsContact CZ2-NZ 3.34Å; W30-K34 HydrophobicContact CZ3-CD 3.95Å; W30-K34 PolarHBondContact O-N 3.47Å; W30-K34 VanDerWaalsContact O-N 3.13Å; A31-K34 PolarHBondContact O-N 3.43Å; L32-K34 VanDerWaalsContact C-N 3.3Å; L32-K34 PolarHBondContact O-N 3.22Å; K34-Y38 WeakPolarHBondContact O-CB 3.17Å; K34-Y38 PolarHBondContact O-N 2.7Å |
| 35 | V | 73.4 | Confident | 63.2 | Low | 84 Ų | 84 | 120.6 Ų | 120.6 | 51% | 0.509 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.8 | -44.4 | 176.5 | 173 | 0 | 0 | 0 | 0 | 110.7 | A31 L32 R33 Y38 E39 | A31-V35 WeakPolarHBondContact O-CG2 3.35Å; A31-V35 PolarHBondContact O-N 2.91Å; A31-V35 VanDerWaalsContact O-N 3.1Å; L32-V35 PolarHBondContact O-N 3.45Å; R33-V35 PolarHBondContact O-N 3.05Å; V35-Y38 PolarHBondContact O-N 3.49Å; V35-E39 PolarHBondContact O-N 2.94Å |
| 36 | E | 74.6 | Confident | 63 | Low | 118 Ų | 118 | 119.4 Ų | 119.4 | 55% | 0.551 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.4 | -39.9 | 177.5 | -169.2 | 176.3 | -173.8 | 0 | 0 | 111.9 | L32 R33 E39 R40 | L32-E36 PolarHBondContact O-N 2.98Å; R33-E36 PolarHBondContact O-N 3.39Å; E36-E39 PolarHBondContact O-N 3.35Å; E36-R40 WeakPolarHBondContact O-CB 3.39Å; E36-R40 PolarHBondContact O-N 3.45Å |
| 37 | E | 74.2 | Confident | 62.4 | Low | 133 Ų | 133 | 119.4 Ų | 119.4 | 62% | 0.621 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.7 | -40.1 | 174 | -170.6 | 172.3 | -155.1 | 0 | 0 | 111.8 | R33 R40 Y41 | R33-E37 VanDerWaalsContact O-CB 3.28Å; R33-E37 WeakPolarHBondContact O-CB 3.37Å; R33-E37 PolarHBondContact O-N 2.87Å; E37-R40 PolarHBondContact O-N 3.04Å; E37-Y41 PolarHBondContact O-N 3.47Å |
| 38 | Y | 68.2 | Low | 61.7 | Low | 158 Ų | 158 | 119.4 Ų | 119.4 | 62% | 0.62 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68.1 | -39.2 | 175.7 | -170.3 | -94.9 | 0 | 0 | 0 | 112.7 | K34 V35 Y41 N42 | K34-Y38 WeakPolarHBondContact O-CB 3.17Å; K34-Y38 PolarHBondContact O-N 2.7Å; V35-Y38 PolarHBondContact O-N 3.49Å; Y38-Y41 PolarHBondContact O-N 3.27Å; Y38-N42 VanDerWaalsContact O-CB 3.27Å; Y38-N42 WeakPolarHBondContact O-CB 3.18Å; Y38-N42 PolarHBondContact O-N 3.42Å; Y38-N42 VanDerWaalsContact O-N 3.08Å |
| 39 | E | 69.3 | Low | 61 | Low | 120 Ų | 120 | 121.7 Ų | 121.7 | 56% | 0.561 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.1 | -35.5 | 174.8 | -74.1 | -168.3 | 153.8 | 0 | 0 | 111.9 | V35 E36 N42 Q43 | V35-E39 PolarHBondContact O-N 2.94Å; E36-E39 PolarHBondContact O-N 3.35Å; E39-N42 PolarHBondContact O-N 3.4Å; E39-Q43 WeakPolarHBondContact O-CG 3.3Å; E39-Q43 PolarHBondContact O-N 3.41Å; E39-Q43 VanDerWaalsContact O-N 3.15Å |
| 40 | R | 70.7 | Confident | 60.4 | Low | 190 Ų | 190 | 125.9 Ų | 125.9 | 72% | 0.717 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -66 | -39 | 174.9 | -162.2 | -172.4 | -69 | -170.9 | -1.3 | 112 | E36 E37 | E36-R40 WeakPolarHBondContact O-CB 3.39Å; E36-R40 PolarHBondContact O-N 3.45Å; E37-R40 PolarHBondContact O-N 3.04Å |
| 41 | Y | 67.2 | Low | 59.6 | Low | 213 Ų | 213 | 125.2 Ų | 125.2 | 84% | 0.835 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -77.5 | -22.2 | 179.4 | -162.3 | -93.6 | 0 | 0 | 0 | 113.5 | E37 Y38 | E37-Y41 PolarHBondContact O-N 3.47Å; Y38-Y41 PolarHBondContact O-N 3.27Å |
| 42 | N | 65.3 | Low | 58.3 | Low | 102 Ų | 102 | 131.8 Ų | 131.8 | 55% | 0.545 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -116 | 17 | -173 | -145.7 | 17.3 | 0 | 0 | 0 | 114 | Y38 E39 P44 | Y38-N42 VanDerWaalsContact O-CB 3.27Å; Y38-N42 WeakPolarHBondContact O-CB 3.18Å; Y38-N42 PolarHBondContact O-N 3.42Å; Y38-N42 VanDerWaalsContact O-N 3.08Å; E39-N42 PolarHBondContact O-N 3.4Å; N42-P44 WeakPolarHBondContact O-CD 3.48Å |
| 43 | Q | 50.2 | Low | 57.6 | Low | 147 Ų | 147 | 133.9 Ų | 133.9 | 69% | 0.687 | 69% | 0.69 | S | S | * | * | trans | -69.7 | 119.5 | 166.7 | -91.3 | 175.9 | 16 | 0 | 0 | 109.1 | E39 A45 | E39-Q43 WeakPolarHBondContact O-CG 3.3Å; E39-Q43 PolarHBondContact O-N 3.41Å; E39-Q43 VanDerWaalsContact O-N 3.15Å; Q43-A45 PolarHBondContact O-N 2.92Å; Q43-A45 VanDerWaalsContact O-N 3.1Å | ||
| 44 | P | 50.1 | Low | 56.5 | Low | 116 Ų | 116 | 133.3 Ų | 133.3 | 75% | 0.753 | 69% | 0.693 | S | S | * | * | trans | -62.5 | 119.6 | 170.8 | 26.3 | -30.7 | 0 | 0 | 0 | 107 | N42 A46 | N42-P44 WeakPolarHBondContact O-CD 3.48Å; P44-A46 PolarHBondContact O-N 3.1Å | ||
| 45 | A | 45.6 | Very low | 55 | Low | 92 Ų | 92 | 131.5 Ų | 131.5 | 76% | 0.76 | 71% | 0.705 | S | S | * | * | trans | -47.7 | 114.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | Q43 S47 | Q43-A45 PolarHBondContact O-N 2.92Å; Q43-A45 VanDerWaalsContact O-N 3.1Å; A45-S47 PolarHBondContact O-N 3.43Å | ||
| 46 | A | 42.9 | Very low | 53.6 | Low | 97 Ų | 97 | 136.3 Ų | 136.3 | 80% | 0.802 | 72% | 0.719 | S | S | * | * | trans | -65.1 | 79.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | P44 V48 | P44-A46 PolarHBondContact O-N 3.1Å; A46-V48 PolarHBondContact O-N 3.13Å | ||
| 47 | S | 42 | Very low | 52.5 | Low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | trans | -74.2 | 104.2 | 163 | 50.8 | 0 | 0 | 0 | 0 | 106.2 | A45 A49 | A45-S47 PolarHBondContact O-N 3.43Å; S47-A49 VanDerWaalsContact C-N 3.28Å; S47-A49 PolarHBondContact O-N 3.09Å | ||
| 48 | V | 42.6 | Very low | 51.3 | Low | 121 Ų | 121 | 137.1 Ų | 137.1 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | trans | -53.5 | 92.9 | 166.2 | 172.9 | 0 | 0 | 0 | 0 | 107.8 | A46 Q50 | A46-V48 PolarHBondContact O-N 3.13Å; V48-Q50 HydrophobicContact CG1-CG 3.65Å; V48-Q50 PolarHBondContact O-N 2.99Å | ||
| 49 | A | 43.5 | Very low | 50.3 | Low | 83 Ų | 83 | 135.2 Ų | 135.2 | 69% | 0.686 | 75% | 0.749 | S | S | * | * | trans | -81.7 | 93.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | S47 N51 | S47-A49 VanDerWaalsContact C-N 3.28Å; S47-A49 PolarHBondContact O-N 3.09Å; A49-N51 PolarHBondContact O-N 3.41Å | ||
| 50 | Q | 45.4 | Very low | 49.3 | Very low | 172 Ų | 172 | 134.8 Ų | 134.8 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -63.2 | 107.3 | 166.4 | -65.4 | -153.4 | -61 | 0 | 0 | 107.8 | V48 F52 | V48-Q50 HydrophobicContact CG1-CG 3.65Å; V48-Q50 PolarHBondContact O-N 2.99Å; Q50-F52 VanDerWaalsContact C-N 3.28Å; Q50-F52 PolarHBondContact O-N 3.48Å | ||
| 51 | N | 48.9 | Very low | 48.1 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | trans | -65.8 | 95.5 | 162.1 | -74.6 | -41 | 0 | 0 | 0 | 107.2 | A49 V53 | A49-N51 PolarHBondContact O-N 3.41Å; N51-V53 VanDerWaalsContact C-N 3.27Å; N51-V53 PolarHBondContact O-N 3.03Å | ||
| 52 | F | 39.3 | Very low | 47.5 | Very low | 180 Ų | 180 | 129.1 Ų | 129.1 | 79% | 0.789 | 76% | 0.761 | S | S | * | * | trans | -68.4 | 88.7 | 167.6 | -175.5 | -100.4 | 0 | 0 | 0 | 108.1 | Q50 K54 | Q50-F52 VanDerWaalsContact C-N 3.28Å; Q50-F52 PolarHBondContact O-N 3.48Å; F52-K54 HydrophobicContact CE1-CB 4.36Å; F52-K54 HydrophobicContact CE1-CG 4.5Å; F52-K54 PolarHBondContact O-N 3.15Å | ||
| 53 | V | 54.1 | Low | 46.7 | Very low | 127 Ų | 127 | 130 Ų | 130 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -79.9 | 113.2 | 166.4 | 177.8 | 0 | 0 | 0 | 0 | 107.2 | N51 G55 | N51-V53 VanDerWaalsContact C-N 3.27Å; N51-V53 PolarHBondContact O-N 3.03Å; V53-G55 PolarHBondContact O-N 3.44Å | ||
| 54 | K | 47.1 | Very low | 46.3 | Very low | 182 Ų | 182 | 128.1 Ų | 128.1 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | -68.9 | 112.3 | 179.5 | -167.1 | 171.1 | -173.6 | 176.9 | 0 | 110.2 | F52 | F52-K54 HydrophobicContact CE1-CB 4.36Å; F52-K54 HydrophobicContact CE1-CG 4.5Å; F52-K54 PolarHBondContact O-N 3.15Å | ||
| 55 | G | 40.3 | Very low | 46.1 | Very low | 70 Ų | 70 | 126.3 Ų | 126.3 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | 45.5 | 99.5 | 148.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | V53 | V53-G55 PolarHBondContact O-N 3.44Š| ||
| 56 | K | 44 | Very low | 45.9 | Very low | 186 Ų | 186 | 130 Ų | 130 | 81% | 0.809 | 77% | 0.766 | S | S | * | * | trans | -158.6 | 102.7 | 147.1 | -155.5 | 86.5 | -178.2 | -176.6 | 0 | 108.9 | ||||
| 57 | D | 51.7 | Low | 46.2 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | trans | 45.8 | 110.9 | 153.8 | -41.8 | -31.3 | 0 | 0 | 0 | 119.3 | S59 | D57-S59 PolarHBondContact O-N 2.9Š| ||
| 58 | P | 48 | Very low | 46.8 | Very low | 138 Ų | 138 | 128 Ų | 128 | 90% | 0.896 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -92 | 84 | 174.9 | 35.5 | -30.5 | 0 | 0 | 0 | 111.4 | ||
| 59 | S | 47.5 | Very low | 47.4 | Very low | 118 Ų | 118 | 126.8 Ų | 126.8 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | trans | -164.1 | 69.4 | 163.5 | -173.2 | 0 | 0 | 0 | 0 | 112.7 | D57 | D57-S59 PolarHBondContact O-N 2.9Š| ||
| 60 | S | 48.4 | Very low | 48 | Very low | 110 Ų | 110 | 127 Ų | 127 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -160.7 | 109.2 | 158.8 | 55.2 | 0 | 0 | 0 | 0 | 109.7 | I62 | S60-I62 PolarHBondContact O-N 3.42Š|
| 61 | T | 47 | Very low | 49.8 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | 1.8 | 107.3 | 160 | -49.8 | 0 | 0 | 0 | 0 | 116.1 | V63 | T61-V63 VanDerWaalsContact C-N 3.34Å; T61-V63 HydrophobicContact CG2-CG1 4.45Å; T61-V63 PolarHBondContact O-N 3.39Å | ||
| 62 | I | 53.5 | Low | 51.8 | Low | 159 Ų | 159 | 124.5 Ų | 124.5 | 82% | 0.815 | 72% | 0.723 | S | S | * | * | trans | -70.6 | 95 | 163.2 | -61.1 | 179.1 | 0 | 0 | 0 | 107.3 | S60 P64 | S60-I62 PolarHBondContact O-N 3.42Å; I62-P64 WeakPolarHBondContact O-CD 3.36Å | ||
| 63 | V | 48.9 | Very low | 54.3 | Low | 119 Ų | 119 | 117.4 Ų | 117.4 | 72% | 0.721 | 70% | 0.698 | S | S | * | * | trans | -67.2 | 117.1 | 157 | -83.5 | 0 | 0 | 0 | 0 | 107.9 | T61 A65 | T61-V63 VanDerWaalsContact C-N 3.34Å; T61-V63 HydrophobicContact CG2-CG1 4.45Å; T61-V63 PolarHBondContact O-N 3.39Å; V63-A65 PolarHBondContact O-N 2.96Å | ||
| 64 | P | 42.1 | Very low | 56.3 | Low | 108 Ų | 108 | 115.8 Ų | 115.8 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | trans | -81.4 | 122.5 | 179.7 | 7.4 | 8.2 | 0 | 0 | 0 | 110.4 | I62 E66 | I62-P64 WeakPolarHBondContact O-CD 3.36Å; P64-E66 PolarHBondContact O-N 3.42Å; P64-E66 VanDerWaalsContact O-N 3.11Å | ||
| 65 | A | 45.2 | Very low | 58.5 | Low | 78 Ų | 78 | 108.9 Ų | 108.9 | 65% | 0.645 | 66% | 0.66 | S | S | * | * | trans | 58.3 | 31.5 | 142.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | V63 S67 A68 | V63-A65 PolarHBondContact O-N 2.96Å; A65-S67 VanDerWaalsContact C-N 3.27Å; A65-S67 PolarHBondContact O-N 3.19Å; A65-A68 PolarHBondContact O-N 3.39Å | ||
| 66 | E | 42.3 | Very low | 61.1 | Low | 171 Ų | 171 | 115.5 Ų | 115.5 | 80% | 0.799 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -69.4 | -16.1 | -178.3 | -161.8 | 165.1 | -175 | 0 | 0 | 114.9 | P64 | P64-E66 PolarHBondContact O-N 3.42Å; P64-E66 VanDerWaalsContact O-N 3.11Å |
| 67 | S | 49.4 | Very low | 63.6 | Low | 92 Ų | 92 | 110.1 Ų | 110.1 | 64% | 0.643 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -79.5 | -18.9 | -179.2 | -169.9 | 0 | 0 | 0 | 0 | 114.8 | A65 | A65-S67 VanDerWaalsContact C-N 3.27Å; A65-S67 PolarHBondContact O-N 3.19Å |
| 68 | A | 52.6 | Low | 65.6 | Low | 71 Ų | 71 | 105.5 Ų | 105.5 | 59% | 0.587 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -82.3 | -35.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A65 | A65-A68 PolarHBondContact O-N 3.39Å |
| 69 | T | 56.1 | Low | 67.8 | Low | 96 Ų | 96 | 99.3 Ų | 99.3 | 59% | 0.589 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -74 | -30.5 | -179.3 | -51.6 | 0 | 0 | 0 | 0 | 112.2 | R71 L72 | T69-R71 PolarHBondContact O-N 2.9Å; T69-L72 HydrophobicContact CG2-CD1 4.49Å; T69-L72 PolarHBondContact O-N 3.13Å |
| 70 | A | 57.1 | Low | 70 | Confident | 87 Ų | 87 | 98 Ų | 98 | 72% | 0.719 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -10.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 71 | R | 83 | Confident | 72.2 | Confident | 185 Ų | 185 | 97.3 Ų | 97.3 | 70% | 0.698 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | 5.6 | 177.9 | -70.3 | -174.7 | -82.7 | 167.4 | -8.9 | 114.1 | T69 | T69-R71 PolarHBondContact O-N 2.9Š|
| 72 | L | 89.5 | Confident | 74.4 | Confident | 82 Ų | 82 | 93 Ų | 93 | 43% | 0.429 | 54% | 0.542 | S | S | . | . | trans | -86.8 | 124.9 | 178.3 | -63.3 | 177 | 0 | 0 | 0 | 110.3 | T69 Y81 A82 | T69-L72 HydrophobicContact CG2-CD1 4.49Å; T69-L72 PolarHBondContact O-N 3.13Å; L72-Y81 WeakPolarHBondContact CA-O 3.3Å; L72-A82 HydrophobicContact CD2-CB 4.07Å | ||
| 73 | A | 92.7 | Very high | 76.3 | Confident | 31 Ų | 31 | 91 Ų | 91 | 26% | 0.256 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 157.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | T80 Y81 | A73-T80 CarbonylContact O-C 3.55Å; A73-T80 WeakPolarHBondContact O-CA 3.24Å; A73-Y81 HydrophobicContact CB-CD1 4.18Å; A73-Y81 HydrophobicContact CB-CE1 3.59Å; A73-Y81 HydrophobicContact CB-CE2 4.2Å; A73-Y81 PolarHBondContact N-O 3.46Å; A73-Y81 WeakPolarHBondContact O-CD1 3.36Å; A73-Y81 PolarHBondContact O-N 3.32Å |
| 74 | T | 94.8 | Very high | 78.4 | Confident | 92 Ų | 92 | 88.9 Ų | 88.9 | 56% | 0.564 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 131.9 | 175.7 | -58.8 | 0 | 0 | 0 | 0 | 109.5 | G79 | T74-G79 WeakPolarHBondContact CA-O 3.42Å |
| 75 | N | 94.6 | Very high | 80.9 | Confident | 38 Ų | 38 | 92.5 Ų | 92.5 | 20% | 0.203 | 54% | 0.535 | C | S | . | . | trans | -84.5 | 176.1 | 179.8 | 69.4 | 26.9 | 0 | 0 | 0 | 111.3 | L77 G78 G79 Y81 R113 | N75-L77 PolarHBondContact O-N 3Å; N75-L77 VanDerWaalsContact O-N 3.12Å; N75-L77 WeakPolarHBondContact OD1-CA 3.39Å; N75-L77 WeakPolarHBondContact OD1-CB 3.37Å; N75-L77 PolarHBondContact OD1-N 2.91Å; N75-G78 PolarHBondContact O-N 2.84Å; N75-G78 PolarHBondContact OD1-N 2.97Å; N75-G78 VanDerWaalsContact OD1-N 3.1Å; N75-G79 VanDerWaalsContact CG-O 3.24Å; N75-G79 PolarHBondContact N-O 3.2Å; N75-G79 PolarHBondContact ND2-O 2.88Å; N75-G79 PolarHBondContact OD1-N 3.12Å; N75-G79 PolarHBondContact OD1-O 2.89Å; N75-Y81 HydrophobicContact CB-CD1 3.96Å; N75-Y81 HydrophobicContact CB-CE1 3.8Å; N75-R113 PolarHBondContact ND2-O 2.73Å | ||
| 76 | Q | 95.5 | Very high | 83.3 | Confident | 208 Ų | 208 | 91.5 Ų | 91.5 | 97% | 0.972 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -15.6 | 179.7 | -66.1 | 174.9 | -9 | 0 | 0 | 114.3 | ||
| 77 | L | 94.9 | Very high | 85.8 | Confident | 73 Ų | 73 | 84.7 Ų | 84.7 | 38% | 0.382 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 2.9 | 175.8 | -60.1 | 171.2 | 0 | 0 | 0 | 112.1 | N75 G79 R113 V114 | N75-L77 PolarHBondContact O-N 3Å; N75-L77 VanDerWaalsContact O-N 3.12Å; N75-L77 WeakPolarHBondContact OD1-CA 3.39Å; N75-L77 WeakPolarHBondContact OD1-CB 3.37Å; N75-L77 PolarHBondContact OD1-N 2.91Å; L77-G79 VanDerWaalsContact C-N 3.33Å; L77-R113 HydrophobicContact CB-CB 4.14Å; L77-R113 VanDerWaalsContact O-CD 3.31Å; L77-R113 WeakPolarHBondContact O-CD 3.44Å; L77-R113 WeakPolarHBondContact O-CG 3.36Å; L77-V114 WeakPolarHBondContact CD1-O 3.28Å |
| 78 | G | 93.8 | Very high | 88.1 | Confident | 33 Ų | 33 | 84.1 Ų | 84.1 | 34% | 0.34 | 49% | 0.485 | S | S | . | . | S | Bend | trans | 75.7 | 18.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N75 R113 | N75-G78 PolarHBondContact O-N 2.84Å; N75-G78 PolarHBondContact OD1-N 2.97Å; N75-G78 VanDerWaalsContact OD1-N 3.1Å; G78-R113 PolarHBondContact O-NH1 3.1Å |
| 79 | G | 94 | Very high | 90.1 | Very high | 9 Ų | 9 | 84 Ų | 84 | 9% | 0.093 | 48% | 0.484 | C | S | . | . | trans | -93.6 | 138.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | T74 N75 L77 R113 | T74-G79 WeakPolarHBondContact CA-O 3.42Å; N75-G79 VanDerWaalsContact CG-O 3.24Å; N75-G79 PolarHBondContact N-O 3.2Å; N75-G79 PolarHBondContact ND2-O 2.88Å; N75-G79 PolarHBondContact OD1-N 3.12Å; N75-G79 PolarHBondContact OD1-O 2.89Å; L77-G79 VanDerWaalsContact C-N 3.33Å; G79-R113 WeakPolarHBondContact CA-O 2.87Å | ||
| 80 | T | 94.7 | Very high | 92 | Very high | 91 Ų | 91 | 83.2 Ų | 83.2 | 56% | 0.558 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 138 | 179.4 | 57.3 | 0 | 0 | 0 | 0 | 111.7 | A73 | A73-T80 CarbonylContact O-C 3.55Å; A73-T80 WeakPolarHBondContact O-CA 3.24Å |
| 81 | Y | 94.7 | Very high | 93.9 | Very high | 95 Ų | 95 | 81.7 Ų | 81.7 | 37% | 0.373 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 161.2 | 177.2 | 69.9 | -73.6 | 0 | 0 | 0 | 111.5 | L72 A73 N75 N83 | L72-Y81 WeakPolarHBondContact CA-O 3.3Å; A73-Y81 HydrophobicContact CB-CD1 4.18Å; A73-Y81 HydrophobicContact CB-CE1 3.59Å; A73-Y81 HydrophobicContact CB-CE2 4.2Å; A73-Y81 PolarHBondContact N-O 3.46Å; A73-Y81 WeakPolarHBondContact O-CD1 3.36Å; A73-Y81 PolarHBondContact O-N 3.32Å; N75-Y81 HydrophobicContact CB-CD1 3.96Å; N75-Y81 HydrophobicContact CB-CE1 3.8Å; Y81-N83 WeakPolarHBondContact CD2-OD1 3.5Å; Y81-N83 WeakPolarHBondContact CE2-OD1 3.42Å |
| 82 | A | 93.8 | Very high | 94.6 | Very high | 36 Ų | 36 | 73.9 Ų | 73.9 | 30% | 0.298 | 44% | 0.437 | S | S | . | . | trans | -114.3 | 119.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | L72 G84 R85 | L72-A82 HydrophobicContact CD2-CB 4.07Å; A82-G84 PolarHBondContact O-N 3.44Å; A82-R85 HydrophobicContact CB-CB 3.93Å; A82-R85 HydrophobicContact CB-CG 4.03Å; A82-R85 PolarHBondContact O-N 2.78Å; A82-R85 VanDerWaalsContact O-N 3.11Å | ||
| 83 | N | 93.5 | Very high | 95 | Very high | 116 Ų | 116 | 74.4 Ų | 74.4 | 62% | 0.62 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 134.6 | -177.5 | -69.2 | 21.9 | 0 | 0 | 0 | 111.3 | Y81 R85 | Y81-N83 WeakPolarHBondContact CD2-OD1 3.5Å; Y81-N83 WeakPolarHBondContact CE2-OD1 3.42Å; N83-R85 PolarHBondContact O-N 2.84Å; N83-R85 VanDerWaalsContact O-N 3.16Å |
| 84 | G | 92.3 | Very high | 95.3 | Very high | 74 Ų | 74 | 76.2 Ų | 76.2 | 76% | 0.763 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | -3.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | A82 | A82-G84 PolarHBondContact O-N 3.44Š|
| 85 | R | 94.1 | Very high | 95.4 | Very high | 184 Ų | 184 | 71.8 Ų | 71.8 | 69% | 0.694 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -102.4 | 142.3 | 175.3 | -59.3 | -66.6 | -177.1 | 164.6 | -1.2 | 109.7 | A82 N83 | A82-R85 HydrophobicContact CB-CB 3.93Å; A82-R85 HydrophobicContact CB-CG 4.03Å; A82-R85 PolarHBondContact O-N 2.78Å; A82-R85 VanDerWaalsContact O-N 3.11Å; N83-R85 PolarHBondContact O-N 2.84Å; N83-R85 VanDerWaalsContact O-N 3.16Å |
| 86 | P | 96.1 | Very high | 95.6 | Very high | 58 Ų | 58 | 70.2 Ų | 70.2 | 38% | 0.377 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 151.3 | 179.4 | 38.7 | -39.9 | 0 | 0 | 0 | 109.6 | P134 I137 | P86-P134 HydrophobicContact CB-CB 3.83Å; P86-P134 HydrophobicContact CB-CG 4.27Å; P86-P134 HydrophobicContact CG-CB 4.07Å; P86-P134 HydrophobicContact CG-CG 4Å; P86-I137 HydrophobicContact CB-CD1 4.18Å; P86-I137 HydrophobicContact CG-CD1 4.24Å |
| 87 | L | 95.6 | Very high | 95.7 | Very high | 27 Ų | 27 | 62.9 Ų | 62.9 | 14% | 0.141 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -52.7 | 141.9 | -175.5 | -166.7 | 69.6 | 0 | 0 | 0 | 111.8 | L91 R92 I95 V114 I122 | L87-L91 HydrophobicContact CD1-CD1 3.84Å; L87-L91 HydrophobicContact CD2-CB 3.8Å; L87-L91 HydrophobicContact CD2-CD1 4.49Å; L87-L91 HydrophobicContact CG-CB 3.9Å; L87-L91 HydrophobicContact CG-CD1 4.11Å; L87-R92 HydrophobicContact CB-CG 4.14Å; L87-R92 HydrophobicContact CD2-CG 4.18Å; L87-R92 HydrophobicContact CG-CG 4.45Å; L87-R92 PolarHBondContact O-NE 3.11Å; L87-R92 PolarHBondContact O-NH2 2.96Å; L87-I95 HydrophobicContact CD2-CD1 3.75Å; L87-V114 HydrophobicContact CD1-CG2 4.28Å; L87-V114 HydrophobicContact CD2-CG1 4.14Å; L87-V114 HydrophobicContact CD2-CG2 4.03Å; L87-I122 HydrophobicContact CD2-CD1 4.01Å |
| 88 | P | 95.8 | Very high | 95.8 | Very high | 81 Ų | 81 | 59.7 Ų | 59.7 | 53% | 0.526 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -50.3 | 142.1 | 177.4 | -29.9 | 35.7 | 0 | 0 | 0 | 113.4 | A90 L91 R92 | P88-A90 VanDerWaalsContact C-N 3.28Å; P88-A90 PolarHBondContact O-N 3.26Å; P88-L91 HydrophobicContact CG-CD1 4.46Å; P88-L91 PolarHBondContact O-N 3.24Å; P88-L91 VanDerWaalsContact O-N 3.11Å; P88-R92 PolarHBondContact O-N 3.06Å |
| 89 | A | 96.2 | Very high | 96 | Very high | 69 Ų | 69 | 59.5 Ų | 59.5 | 57% | 0.57 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -56.8 | -41 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L91 R92 Q93 | A89-L91 VanDerWaalsContact C-N 3.35Å; A89-L91 PolarHBondContact O-N 3.07Å; A89-R92 PolarHBondContact O-N 3.44Å; A89-R92 VanDerWaalsContact O-N 3.14Å; A89-Q93 PolarHBondContact O-N 3.17Å |
| 90 | A | 96.3 | Very high | 96.1 | Very high | 79 Ų | 79 | 62.1 Ų | 62.1 | 65% | 0.653 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -57.2 | -43.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P88 R92 Q93 K94 | P88-A90 VanDerWaalsContact C-N 3.28Å; P88-A90 PolarHBondContact O-N 3.26Å; A90-R92 PolarHBondContact O-N 3.24Å; A90-Q93 PolarHBondContact O-N 2.61Å; A90-K94 PolarHBondContact O-N 3.27Å |
| 91 | L | 96.6 | Very high | 96.3 | Very high | 54 Ų | 54 | 65.9 Ų | 65.9 | 28% | 0.283 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.8 | -35.7 | 177.5 | -76.8 | 177.4 | 0 | 0 | 0 | 112.1 | L87 P88 A89 K94 I95 | L87-L91 HydrophobicContact CD1-CD1 3.84Å; L87-L91 HydrophobicContact CD2-CB 3.8Å; L87-L91 HydrophobicContact CD2-CD1 4.49Å; L87-L91 HydrophobicContact CG-CB 3.9Å; L87-L91 HydrophobicContact CG-CD1 4.11Å; P88-L91 HydrophobicContact CG-CD1 4.46Å; P88-L91 PolarHBondContact O-N 3.24Å; P88-L91 VanDerWaalsContact O-N 3.11Å; A89-L91 VanDerWaalsContact C-N 3.35Å; A89-L91 PolarHBondContact O-N 3.07Å; L91-K94 PolarHBondContact O-N 2.94Å; L91-I95 VanDerWaalsContact O-CG1 3.3Å; L91-I95 WeakPolarHBondContact O-CG1 3.45Å; L91-I95 PolarHBondContact O-N 3.14Å |
| 92 | R | 98 | Very high | 96.3 | Very high | 22 Ų | 22 | 64.4 Ų | 64.4 | 8% | 0.083 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.2 | -40.3 | 176 | -56.6 | -167 | -148.9 | 156.2 | 14.1 | 112.1 | L87 P88 A89 A90 K94 I95 V96 I122 I132 P134 | L87-R92 HydrophobicContact CB-CG 4.14Å; L87-R92 HydrophobicContact CD2-CG 4.18Å; L87-R92 HydrophobicContact CG-CG 4.45Å; L87-R92 PolarHBondContact O-NE 3.11Å; L87-R92 PolarHBondContact O-NH2 2.96Å; P88-R92 PolarHBondContact O-N 3.06Å; A89-R92 PolarHBondContact O-N 3.44Å; A89-R92 VanDerWaalsContact O-N 3.14Å; A90-R92 PolarHBondContact O-N 3.24Å; R92-K94 VanDerWaalsContact C-N 3.28Å; R92-K94 PolarHBondContact O-N 3.47Å; R92-I95 PolarHBondContact O-N 3.38Å; R92-V96 WeakPolarHBondContact O-CG2 3.48Å; R92-V96 PolarHBondContact O-N 3.24Å; R92-V96 VanDerWaalsContact O-N 3.14Å; R92-I122 HydrophobicContact CB-CD1 4.43Å; R92-I122 HydrophobicContact CG-CD1 3.83Å; R92-I132 WeakPolarHBondContact CD-O 3.16Å; R92-I132 PolarHBondContact NH1-O 3.32Å; R92-P134 VanDerWaalsContact NH1-CA 3.27Å |
| 93 | Q | 97.8 | Very high | 96.5 | Very high | 93 Ų | 93 | 64.8 Ų | 64.8 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.8 | -45.1 | 172.6 | -172.8 | 62.7 | 14.8 | 0 | 0 | 110.2 | A89 A90 I95 V96 E97 I132 | A89-Q93 PolarHBondContact O-N 3.17Å; A90-Q93 PolarHBondContact O-N 2.61Å; Q93-I95 PolarHBondContact O-N 2.98Å; Q93-V96 PolarHBondContact O-N 3.4Å; Q93-E97 WeakPolarHBondContact O-CB 3.46Å; Q93-E97 PolarHBondContact O-N 3.12Å; Q93-I132 HydrophobicContact CB-CD1 4.46Å |
| 94 | K | 97.8 | Very high | 96.7 | Very high | 68 Ų | 68 | 67.1 Ų | 67.1 | 30% | 0.296 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 179 | -166 | 57.4 | 171 | -175.1 | 0 | 113.3 | A90 L91 R92 V96 E97 M98 L112 | A90-K94 PolarHBondContact O-N 3.27Å; L91-K94 PolarHBondContact O-N 2.94Å; R92-K94 VanDerWaalsContact C-N 3.28Å; R92-K94 PolarHBondContact O-N 3.47Å; K94-V96 VanDerWaalsContact C-N 3.32Å; K94-V96 PolarHBondContact O-N 2.82Å; K94-E97 WeakPolarHBondContact CD-OE2 3.41Å; K94-E97 IonicContact NZ-OE1 3.19Å; K94-E97 PolarHBondContact NZ-OE1 3.35Å; K94-E97 IonicContact NZ-OE2 2.91Å; K94-E97 PolarHBondContact NZ-OE2 3.48Å; K94-E97 PolarHBondContact O-N 3.1Å; K94-M98 HydrophobicContact CD-CG 4.47Å; K94-M98 HydrophobicContact CG-CG 4.49Å; K94-M98 HydrophobicContact CG-SD 4.36Å; K94-M98 WeakPolarHBondContact O-CB 3.34Å; K94-M98 VanDerWaalsContact O-CG 3.3Å; K94-M98 WeakPolarHBondContact O-CG 3.4Å; K94-M98 PolarHBondContact O-N 3.17Å; K94-L112 HydrophobicContact CB-CD1 4.22Å; K94-L112 HydrophobicContact CB-CD2 4.49Å; K94-L112 HydrophobicContact CG-CD1 4.06Å; K94-L112 HydrophobicContact CG-CD2 3.7Å |
| 95 | I | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57 | -47.2 | 174.1 | -73.4 | 164.8 | 0 | 0 | 0 | 110.7 | L87 L91 R92 Q93 A99 I108 L112 V114 V119 I122 L123 | L87-I95 HydrophobicContact CD2-CD1 3.75Å; L91-I95 VanDerWaalsContact O-CG1 3.3Å; L91-I95 WeakPolarHBondContact O-CG1 3.45Å; L91-I95 PolarHBondContact O-N 3.14Å; R92-I95 PolarHBondContact O-N 3.38Å; Q93-I95 PolarHBondContact O-N 2.98Å; I95-A99 WeakPolarHBondContact O-CB 3.38Å; I95-A99 PolarHBondContact O-N 2.84Å; I95-A99 VanDerWaalsContact O-N 3.12Å; I95-I108 HydrophobicContact CB-CG2 4.38Å; I95-I108 HydrophobicContact CG1-CG2 4.07Å; I95-I108 HydrophobicContact CG2-CG2 4.35Å; I95-L112 HydrophobicContact CB-CD1 4.38Å; I95-L112 HydrophobicContact CG1-CD1 3.47Å; I95-L112 VanDerWaalsContact CG1-CD1 3.47Å; I95-V114 HydrophobicContact CD1-CG1 4.34Å; I95-V119 HydrophobicContact CD1-CG2 4.24Å; I95-V119 HydrophobicContact CG1-CG2 4.47Å; I95-V119 HydrophobicContact CG2-CG1 4.05Å; I95-I122 HydrophobicContact CD1-CD1 3.6Å; I95-I122 HydrophobicContact CG2-CB 4.43Å; I95-I122 HydrophobicContact CG2-CG2 4.06Å; I95-L123 HydrophobicContact CG2-CD2 3.9Å; I95-L123 HydrophobicContact CG2-CG 4.11Å |
| 96 | V | 97.8 | Very high | 97.1 | Very high | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.024 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.7 | -44.6 | -179.7 | 173 | 0 | 0 | 0 | 0 | 111 | R92 Q93 K94 M98 A99 I100 I122 L123 W126 I132 | R92-V96 WeakPolarHBondContact O-CG2 3.48Å; R92-V96 PolarHBondContact O-N 3.24Å; R92-V96 VanDerWaalsContact O-N 3.14Å; Q93-V96 PolarHBondContact O-N 3.4Å; K94-V96 VanDerWaalsContact C-N 3.32Å; K94-V96 PolarHBondContact O-N 2.82Å; V96-M98 PolarHBondContact O-N 2.9Å; V96-A99 PolarHBondContact O-N 2.9Å; V96-I100 HydrophobicContact CG1-CD1 3.68Å; V96-I100 HydrophobicContact CG1-CG1 4.34Å; V96-I100 VanDerWaalsContact O-CG1 3.29Å; V96-I100 WeakPolarHBondContact O-CG1 3.43Å; V96-I100 PolarHBondContact O-N 3.19Å; V96-I122 HydrophobicContact CG2-CG2 4.15Å; V96-L123 HydrophobicContact CG2-CD2 4.49Å; V96-W126 HydrophobicContact CG1-CD2 3.84Å; V96-W126 HydrophobicContact CG1-CG 4.02Å; V96-W126 HydrophobicContact CG1-CZ2 4.04Å; V96-W126 HydrophobicContact CG2-CB 4.2Å; V96-W126 HydrophobicContact CG2-CD2 4.47Å; V96-W126 HydrophobicContact CG2-CG 3.99Å; V96-I132 HydrophobicContact CG2-CG2 4.11Å |
| 97 | E | 97.7 | Very high | 97.2 | Very high | 54 Ų | 54 | 65.1 Ų | 65.1 | 25% | 0.252 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -56.5 | -46 | 176.5 | -174.6 | -163.8 | 150.3 | 0 | 0 | 112 | Q93 K94 I100 R101 | Q93-E97 WeakPolarHBondContact O-CB 3.46Å; Q93-E97 PolarHBondContact O-N 3.12Å; K94-E97 WeakPolarHBondContact CD-OE2 3.41Å; K94-E97 IonicContact NZ-OE1 3.19Å; K94-E97 PolarHBondContact NZ-OE1 3.35Å; K94-E97 IonicContact NZ-OE2 2.91Å; K94-E97 PolarHBondContact NZ-OE2 3.48Å; K94-E97 PolarHBondContact O-N 3.1Å; E97-I100 PolarHBondContact O-N 3.43Å; E97-R101 WeakPolarHBondContact O-CG 3.33Å; E97-R101 PolarHBondContact O-N 3.14Å; E97-R101 VanDerWaalsContact O-N 3.13Å; E97-R101 IonicContact OE1-CZ 3.06Å; E97-R101 IonicContact OE1-NE 2.89Å; E97-R101 IonicContact OE1-NH1 3.3Å; E97-R101 PolarHBondContact OE1-NH1 3.49Å; E97-R101 IonicContact OE1-NH2 3.87Å; E97-R101 PolarHBondContact OE1-NH2 3.12Å |
| 98 | M | 98 | Very high | 97.3 | Very high | 7 Ų | 7 | 63.9 Ų | 63.9 | 3% | 0.034 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.3 | -39 | 177.4 | -70.1 | 180 | 76.3 | 0 | 0 | 112.3 | K94 V96 R101 V103 I108 E111 L112 | K94-M98 HydrophobicContact CD-CG 4.47Å; K94-M98 HydrophobicContact CG-CG 4.49Å; K94-M98 HydrophobicContact CG-SD 4.36Å; K94-M98 WeakPolarHBondContact O-CB 3.34Å; K94-M98 VanDerWaalsContact O-CG 3.3Å; K94-M98 WeakPolarHBondContact O-CG 3.4Å; K94-M98 PolarHBondContact O-N 3.17Å; V96-M98 PolarHBondContact O-N 2.9Å; M98-R101 PolarHBondContact O-N 3.08Å; M98-V103 HydrophobicContact CB-CB 4.25Å; M98-V103 HydrophobicContact CB-CG2 4.31Å; M98-V103 HydrophobicContact CE-CG1 4.06Å; M98-V103 VanDerWaalsContact O-CB 3.24Å; M98-V103 WeakPolarHBondContact O-CB 3.37Å; M98-V103 VanDerWaalsContact O-CG2 3.3Å; M98-V103 WeakPolarHBondContact O-CG2 3.5Å; M98-V103 PolarHBondContact O-N 3.13Å; M98-I108 HydrophobicContact CB-CD1 3.79Å; M98-I108 HydrophobicContact CB-CG1 3.79Å; M98-I108 HydrophobicContact CB-CG2 4.49Å; M98-I108 HydrophobicContact CE-CB 4.5Å; M98-I108 HydrophobicContact CE-CG1 4.12Å; M98-I108 HydrophobicContact SD-CG1 4.38Å; M98-I108 HydrophobicContact SD-CG2 4.11Å; M98-E111 HydrophobicContact CE-CB 4.15Å; M98-E111 HydrophobicContact CE-CG 4.12Å; M98-E111 WeakPolarHBondContact CE-OE1 3.27Å; M98-E111 WeakPolarHBondContact CE-OE2 3.33Å; M98-L112 HydrophobicContact SD-CD1 3.82Å; M98-L112 HydrophobicContact SD-CD2 3.97Å; M98-L112 HydrophobicContact SD-CG 3.83Å |
| 99 | A | 97.7 | Very high | 97.4 | Very high | 29 Ų | 29 | 60.4 Ų | 60.4 | 24% | 0.24 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I95 V96 R101 G102 I108 L123 | I95-A99 WeakPolarHBondContact O-CB 3.38Å; I95-A99 PolarHBondContact O-N 2.84Å; I95-A99 VanDerWaalsContact O-N 3.12Å; V96-A99 PolarHBondContact O-N 2.9Å; A99-R101 VanDerWaalsContact C-N 3.27Å; A99-R101 PolarHBondContact O-N 3.25Å; A99-G102 PolarHBondContact O-N 3.1Å; A99-I108 HydrophobicContact CB-CD1 3.87Å; A99-L123 HydrophobicContact CB-CD1 4.14Å; A99-L123 HydrophobicContact CB-CD2 3.45Å; A99-L123 VanDerWaalsContact CB-CD2 3.45Å; A99-L123 HydrophobicContact CB-CG 4.46Å |
| 100 | I | 96.4 | Very high | 97.5 | Very high | 64 Ų | 64 | 63.6 Ų | 63.6 | 33% | 0.328 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.2 | -37.3 | 174.2 | -71.2 | 165.1 | 0 | 0 | 0 | 111 | H28 V96 E97 G102 W126 | H28-I100 VanDerWaalsContact CE1-CG2 3.42Å; H28-I100 WeakPolarHBondContact CE1-CG2 3.37Å; V96-I100 HydrophobicContact CG1-CD1 3.68Å; V96-I100 HydrophobicContact CG1-CG1 4.34Å; V96-I100 VanDerWaalsContact O-CG1 3.29Å; V96-I100 WeakPolarHBondContact O-CG1 3.43Å; V96-I100 PolarHBondContact O-N 3.19Å; E97-I100 PolarHBondContact O-N 3.43Å; I100-G102 PolarHBondContact O-N 3.01Å; I100-G102 VanDerWaalsContact O-N 3.09Å; I100-W126 HydrophobicContact CD1-CH2 4.14Å; I100-W126 HydrophobicContact CD1-CZ2 3.84Å; I100-W126 HydrophobicContact CG1-CH2 3.82Å; I100-W126 HydrophobicContact CG1-CZ2 4.06Å |
| 101 | R | 97 | Very high | 97.5 | Very high | 170 Ų | 170 | 64.8 Ų | 64.8 | 64% | 0.642 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | 5.7 | 173.5 | -68.6 | 175.9 | -178.8 | 171.8 | 6 | 114.1 | E97 M98 A99 V103 | E97-R101 WeakPolarHBondContact O-CG 3.33Å; E97-R101 PolarHBondContact O-N 3.14Å; E97-R101 VanDerWaalsContact O-N 3.13Å; E97-R101 IonicContact OE1-CZ 3.06Å; E97-R101 IonicContact OE1-NE 2.89Å; E97-R101 IonicContact OE1-NH1 3.3Å; E97-R101 PolarHBondContact OE1-NH1 3.49Å; E97-R101 IonicContact OE1-NH2 3.87Å; E97-R101 PolarHBondContact OE1-NH2 3.12Å; M98-R101 PolarHBondContact O-N 3.08Å; A99-R101 VanDerWaalsContact C-N 3.27Å; A99-R101 PolarHBondContact O-N 3.25Å; R101-V103 VanDerWaalsContact C-N 3.33Å; R101-V103 HydrophobicContact CB-CG2 4.38Å; R101-V103 PolarHBondContact O-N 3.04Å |
| 102 | G | 96.2 | Very high | 97.5 | Very high | 63 Ų | 63 | 63.8 Ų | 63.8 | 65% | 0.649 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 12.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A99 I100 K104 | A99-G102 PolarHBondContact O-N 3.1Å; I100-G102 PolarHBondContact O-N 3.01Å; I100-G102 VanDerWaalsContact O-N 3.09Å; G102-K104 PolarHBondContact O-N 3.35Å |
| 103 | V | 97.5 | Very high | 97.5 | Very high | 44 Ų | 44 | 69.3 Ų | 69.3 | 27% | 0.267 | 34% | 0.339 | S | S | . | . | trans | -70.6 | 129.2 | 178.5 | -174.3 | 0 | 0 | 0 | 0 | 109.9 | M98 R101 R107 I108 | M98-V103 HydrophobicContact CB-CB 4.25Å; M98-V103 HydrophobicContact CB-CG2 4.31Å; M98-V103 HydrophobicContact CE-CG1 4.06Å; M98-V103 VanDerWaalsContact O-CB 3.24Å; M98-V103 WeakPolarHBondContact O-CB 3.37Å; M98-V103 VanDerWaalsContact O-CG2 3.3Å; M98-V103 WeakPolarHBondContact O-CG2 3.5Å; M98-V103 PolarHBondContact O-N 3.13Å; R101-V103 VanDerWaalsContact C-N 3.33Å; R101-V103 HydrophobicContact CB-CG2 4.38Å; R101-V103 PolarHBondContact O-N 3.04Å; V103-R107 HydrophobicContact CG1-CB 3.82Å; V103-R107 HydrophobicContact CG1-CG 3.81Å; V103-I108 HydrophobicContact CB-CD1 4.36Å; V103-I108 HydrophobicContact CB-CG1 4.02Å; V103-I108 HydrophobicContact CG1-CG1 3.79Å; V103-I108 WeakPolarHBondContact O-CD1 3.48Å | ||
| 104 | K | 97.3 | Very high | 97.5 | Very high | 165 Ų | 165 | 65.3 Ų | 65.3 | 72% | 0.717 | 32% | 0.32 | S | S | * | . | trans | -57.9 | 136.1 | 178.8 | -70.1 | -178 | 175.6 | 173.5 | 0 | 111.2 | G102 C106 R107 I108 | G102-K104 PolarHBondContact O-N 3.35Å; K104-C106 PolarHBondContact O-N 3.3Å; K104-C106 VanDerWaalsContact O-N 3.1Å; K104-R107 WeakPolarHBondContact O-CA 3.3Å; K104-R107 WeakPolarHBondContact O-CB 3.43Å; K104-R107 PolarHBondContact O-N 3.49Å; K104-I108 PolarHBondContact O-N 3.39Å; K104-I108 VanDerWaalsContact O-N 3.12Å | ||
| 105 | P | 97.4 | Very high | 97.5 | Very high | 56 Ų | 56 | 65 Ų | 65 | 36% | 0.364 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -53.9 | -34.9 | -179.1 | -29.3 | 35.1 | 0 | 0 | 0 | 115 | R107 I108 S109 V119 L123 | P105-R107 VanDerWaalsContact C-N 3.33Å; P105-R107 PolarHBondContact O-N 3.27Å; P105-I108 PolarHBondContact O-N 3.4Å; P105-S109 PolarHBondContact O-N 3.38Å; P105-V119 HydrophobicContact CB-CG1 4.32Å; P105-L123 HydrophobicContact CB-CD1 4.32Å; P105-L123 HydrophobicContact CG-CD1 4.12Å |
| 106 | C | 97.5 | Very high | 97.4 | Very high | 68 Ų | 68 | 70.1 Ų | 70.1 | 46% | 0.459 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61 | -39.9 | 173.6 | 178.2 | 0 | 0 | 0 | 0 | 112.3 | K104 K110 | K104-C106 PolarHBondContact O-N 3.3Å; K104-C106 VanDerWaalsContact O-N 3.1Å; C106-K110 WeakPolarHBondContact O-CG 3.42Å; C106-K110 PolarHBondContact O-N 3.41Å |
| 107 | R | 98.1 | Very high | 97.4 | Very high | 151 Ų | 151 | 71.8 Ų | 71.8 | 57% | 0.57 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -70.4 | -43.7 | 177.4 | -177.7 | 62.3 | -179.5 | -174.7 | -0.8 | 111.1 | V103 K104 P105 S109 K110 E111 | V103-R107 HydrophobicContact CG1-CB 3.82Å; V103-R107 HydrophobicContact CG1-CG 3.81Å; K104-R107 WeakPolarHBondContact O-CA 3.3Å; K104-R107 WeakPolarHBondContact O-CB 3.43Å; K104-R107 PolarHBondContact O-N 3.49Å; P105-R107 VanDerWaalsContact C-N 3.33Å; P105-R107 PolarHBondContact O-N 3.27Å; R107-S109 VanDerWaalsContact C-N 3.29Å; R107-S109 PolarHBondContact O-N 3.15Å; R107-K110 PolarHBondContact O-N 3.46Å; R107-E111 IonicContact NE-OE2 3.66Å; R107-E111 WeakPolarHBondContact O-CB 3.29Å; R107-E111 PolarHBondContact O-N 3.12Å |
| 108 | I | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -54.2 | -46.8 | 174.3 | -58.2 | 177.9 | 0 | 0 | 0 | 110.9 | I95 M98 A99 V103 K104 P105 K110 E111 L112 V119 | I95-I108 HydrophobicContact CB-CG2 4.38Å; I95-I108 HydrophobicContact CG1-CG2 4.07Å; I95-I108 HydrophobicContact CG2-CG2 4.35Å; M98-I108 HydrophobicContact CB-CD1 3.79Å; M98-I108 HydrophobicContact CB-CG1 3.79Å; M98-I108 HydrophobicContact CB-CG2 4.49Å; M98-I108 HydrophobicContact CE-CB 4.5Å; M98-I108 HydrophobicContact CE-CG1 4.12Å; M98-I108 HydrophobicContact SD-CG1 4.38Å; M98-I108 HydrophobicContact SD-CG2 4.11Å; A99-I108 HydrophobicContact CB-CD1 3.87Å; V103-I108 HydrophobicContact CB-CD1 4.36Å; V103-I108 HydrophobicContact CB-CG1 4.02Å; V103-I108 HydrophobicContact CG1-CG1 3.79Å; V103-I108 WeakPolarHBondContact O-CD1 3.48Å; K104-I108 PolarHBondContact O-N 3.39Å; K104-I108 VanDerWaalsContact O-N 3.12Å; P105-I108 PolarHBondContact O-N 3.4Å; I108-K110 PolarHBondContact O-N 2.93Å; I108-E111 PolarHBondContact O-N 3.19Å; I108-L112 HydrophobicContact CG2-CD1 3.72Å; I108-L112 HydrophobicContact CG2-CG 4.34Å; I108-L112 WeakPolarHBondContact O-CB 3.42Å; I108-L112 PolarHBondContact O-N 2.71Å; I108-V119 HydrophobicContact CB-CG1 4.39Å; I108-V119 HydrophobicContact CG2-CG1 4.19Å; I108-V119 HydrophobicContact CG2-CG2 4.42Å |
| 109 | S | 98 | Very high | 97.4 | Very high | 9 Ų | 9 | 70.7 Ų | 70.7 | 6% | 0.063 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.6 | -46.5 | 178.2 | 174.6 | 0 | 0 | 0 | 0 | 112.5 | P105 R107 R113 V114 H116 | P105-S109 PolarHBondContact O-N 3.38Å; R107-S109 VanDerWaalsContact C-N 3.29Å; R107-S109 PolarHBondContact O-N 3.15Å; S109-R113 WeakPolarHBondContact O-CA 3.17Å; S109-R113 PolarHBondContact O-N 3.02Å; S109-V114 WeakPolarHBondContact CA-O 3.47Å; S109-V114 WeakPolarHBondContact CB-O 3.46Å; S109-V114 PolarHBondContact O-N 3.23Å; S109-V114 PolarHBondContact OG-O 2.84Å; S109-H116 PolarHBondContact OG-N 3.11Å |
| 110 | K | 97.6 | Very high | 97.4 | Very high | 135 Ų | 135 | 71.9 Ų | 71.9 | 59% | 0.587 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -70.5 | -40.7 | -179.4 | -68.8 | 179.1 | -179.3 | -176.1 | 0 | 112.5 | C106 R107 I108 | C106-K110 WeakPolarHBondContact O-CG 3.42Å; C106-K110 PolarHBondContact O-N 3.41Å; R107-K110 PolarHBondContact O-N 3.46Å; I108-K110 PolarHBondContact O-N 2.93Å |
| 111 | E | 97.2 | Very high | 97.5 | Very high | 105 Ų | 105 | 76.6 Ų | 76.6 | 49% | 0.491 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -70.5 | -45.2 | -177.4 | -171.8 | 171.4 | 149.7 | 0 | 0 | 112.3 | M98 R107 I108 R113 | M98-E111 HydrophobicContact CE-CB 4.15Å; M98-E111 HydrophobicContact CE-CG 4.12Å; M98-E111 WeakPolarHBondContact CE-OE1 3.27Å; M98-E111 WeakPolarHBondContact CE-OE2 3.33Å; R107-E111 IonicContact NE-OE2 3.66Å; R107-E111 WeakPolarHBondContact O-CB 3.29Å; R107-E111 PolarHBondContact O-N 3.12Å; I108-E111 PolarHBondContact O-N 3.19Å; E111-R113 VanDerWaalsContact C-N 3.27Å; E111-R113 PolarHBondContact O-N 3.46Å |
| 112 | L | 97.2 | Very high | 97.5 | Very high | 32 Ų | 32 | 69.5 Ų | 69.5 | 17% | 0.168 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -2.6 | 178.5 | -58 | -178.9 | 0 | 0 | 0 | 113.1 | K94 I95 M98 I108 V114 | K94-L112 HydrophobicContact CB-CD1 4.22Å; K94-L112 HydrophobicContact CB-CD2 4.49Å; K94-L112 HydrophobicContact CG-CD1 4.06Å; K94-L112 HydrophobicContact CG-CD2 3.7Å; I95-L112 HydrophobicContact CB-CD1 4.38Å; I95-L112 HydrophobicContact CG1-CD1 3.47Å; I95-L112 VanDerWaalsContact CG1-CD1 3.47Å; M98-L112 HydrophobicContact SD-CD1 3.82Å; M98-L112 HydrophobicContact SD-CD2 3.97Å; M98-L112 HydrophobicContact SD-CG 3.83Å; I108-L112 HydrophobicContact CG2-CD1 3.72Å; I108-L112 HydrophobicContact CG2-CG 4.34Å; I108-L112 WeakPolarHBondContact O-CB 3.42Å; I108-L112 PolarHBondContact O-N 2.71Å; L112-V114 HydrophobicContact CB-CG2 4.19Å; L112-V114 PolarHBondContact O-N 3.42Å |
| 113 | R | 97.5 | Very high | 97.6 | Very high | 139 Ų | 139 | 67.4 Ų | 67.4 | 53% | 0.525 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 37.9 | -175.3 | -54.4 | 179.9 | 178.4 | -178.7 | -0 | 112.8 | N75 L77 G78 G79 S109 E111 | N75-R113 PolarHBondContact ND2-O 2.73Å; L77-R113 HydrophobicContact CB-CB 4.14Å; L77-R113 VanDerWaalsContact O-CD 3.31Å; L77-R113 WeakPolarHBondContact O-CD 3.44Å; L77-R113 WeakPolarHBondContact O-CG 3.36Å; G78-R113 PolarHBondContact O-NH1 3.1Å; G79-R113 WeakPolarHBondContact CA-O 2.87Å; S109-R113 WeakPolarHBondContact O-CA 3.17Å; S109-R113 PolarHBondContact O-N 3.02Å; E111-R113 VanDerWaalsContact C-N 3.27Å; E111-R113 PolarHBondContact O-N 3.46Å |
| 114 | V | 97.1 | Very high | 97.6 | Very high | 9 Ų | 9 | 66.9 Ų | 66.9 | 6% | 0.055 | 34% | 0.339 | C | S | . | . | trans | -107.8 | 140.7 | 177.4 | 174.7 | 0 | 0 | 0 | 0 | 108.5 | L77 L87 I95 S109 L112 H116 C118 V119 | L77-V114 WeakPolarHBondContact CD1-O 3.28Å; L87-V114 HydrophobicContact CD1-CG2 4.28Å; L87-V114 HydrophobicContact CD2-CG1 4.14Å; L87-V114 HydrophobicContact CD2-CG2 4.03Å; I95-V114 HydrophobicContact CD1-CG1 4.34Å; S109-V114 WeakPolarHBondContact CA-O 3.47Å; S109-V114 WeakPolarHBondContact CB-O 3.46Å; S109-V114 PolarHBondContact O-N 3.23Å; S109-V114 PolarHBondContact OG-O 2.84Å; L112-V114 HydrophobicContact CB-CG2 4.19Å; L112-V114 PolarHBondContact O-N 3.42Å; V114-H116 PolarHBondContact O-N 3.48Å; V114-C118 HydrophobicContact CG1-CB 3.7Å; V114-V119 HydrophobicContact CB-CG2 4.22Å; V114-V119 HydrophobicContact CG1-CG2 4Å | ||
| 115 | S | 97.4 | Very high | 97.6 | Very high | 62 Ų | 62 | 62.2 Ų | 62.2 | 43% | 0.434 | 32% | 0.318 | S | S | . | . | trans | -58.3 | 140.2 | -179.6 | 68.3 | 0 | 0 | 0 | 0 | 111.7 | G117 C118 V119 | S115-G117 PolarHBondContact O-N 2.99Å; S115-C118 WeakPolarHBondContact O-CB 3.42Å; S115-C118 PolarHBondContact O-N 3.3Å; S115-C118 WeakPolarHBondContact OG-CB 3.37Å; S115-C118 PolarHBondContact OG-N 3.31Å; S115-V119 PolarHBondContact O-N 3.04Å; S115-V119 VanDerWaalsContact O-N 3.12Å | ||
| 116 | H | 97.7 | Very high | 97.6 | Very high | 107 Ų | 107 | 62.2 Ų | 62.2 | 50% | 0.495 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -53.6 | -40.6 | -179.3 | 178.8 | -102.4 | 0 | 0 | 0 | 112.4 | S109 V114 C118 V119 S120 | S109-H116 PolarHBondContact OG-N 3.11Å; V114-H116 PolarHBondContact O-N 3.48Å; H116-C118 VanDerWaalsContact C-N 3.33Å; H116-C118 PolarHBondContact O-N 2.91Å; H116-V119 PolarHBondContact O-N 3.4Å; H116-S120 WeakPolarHBondContact O-CB 3.42Å; H116-S120 PolarHBondContact O-N 3.43Å |
| 117 | G | 97.7 | Very high | 97.6 | Very high | 39 Ų | 39 | 67.8 Ų | 67.8 | 40% | 0.402 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.1 | -33.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S115 K121 | S115-G117 PolarHBondContact O-N 2.99Å; G117-K121 VanDerWaalsContact O-CG 3.3Å; G117-K121 WeakPolarHBondContact O-CG 3.2Å; G117-K121 PolarHBondContact O-N 2.93Å; G117-K121 VanDerWaalsContact O-N 3.1Å |
| 118 | C | 97.3 | Very high | 97.5 | Very high | 37 Ų | 37 | 67.9 Ų | 67.9 | 25% | 0.25 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.9 | -43.8 | 174.8 | -178.7 | 0 | 0 | 0 | 0 | 111.4 | V114 S115 H116 S120 K121 I122 | V114-C118 HydrophobicContact CG1-CB 3.7Å; S115-C118 WeakPolarHBondContact O-CB 3.42Å; S115-C118 PolarHBondContact O-N 3.3Å; S115-C118 WeakPolarHBondContact OG-CB 3.37Å; S115-C118 PolarHBondContact OG-N 3.31Å; H116-C118 VanDerWaalsContact C-N 3.33Å; H116-C118 PolarHBondContact O-N 2.91Å; C118-S120 PolarHBondContact O-N 3.32Å; C118-K121 PolarHBondContact O-N 3.33Å; C118-I122 WeakPolarHBondContact O-CG1 3.3Å; C118-I122 PolarHBondContact O-N 3.16Å |
| 119 | V | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57 | -49.5 | 174.2 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | I95 P105 I108 V114 S115 H116 K121 I122 L123 | I95-V119 HydrophobicContact CD1-CG2 4.24Å; I95-V119 HydrophobicContact CG1-CG2 4.47Å; I95-V119 HydrophobicContact CG2-CG1 4.05Å; P105-V119 HydrophobicContact CB-CG1 4.32Å; I108-V119 HydrophobicContact CB-CG1 4.39Å; I108-V119 HydrophobicContact CG2-CG1 4.19Å; I108-V119 HydrophobicContact CG2-CG2 4.42Å; V114-V119 HydrophobicContact CB-CG2 4.22Å; V114-V119 HydrophobicContact CG1-CG2 4Å; S115-V119 PolarHBondContact O-N 3.04Å; S115-V119 VanDerWaalsContact O-N 3.12Å; H116-V119 PolarHBondContact O-N 3.4Å; V119-K121 PolarHBondContact O-N 3.4Å; V119-I122 PolarHBondContact O-N 3.1Å; V119-L123 HydrophobicContact CG1-CD1 3.86Å; V119-L123 HydrophobicContact CG1-CG 4.35Å; V119-L123 WeakPolarHBondContact O-CG 3.46Å; V119-L123 PolarHBondContact O-N 2.71Å |
| 120 | S | 98.1 | Very high | 97.3 | Very high | 55 Ų | 55 | 74 Ų | 74 | 39% | 0.385 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.7 | -46.8 | 178.1 | 177.3 | 0 | 0 | 0 | 0 | 112.3 | H116 C118 I122 L123 S124 | H116-S120 WeakPolarHBondContact O-CB 3.42Å; H116-S120 PolarHBondContact O-N 3.43Å; C118-S120 PolarHBondContact O-N 3.32Å; S120-I122 PolarHBondContact O-N 2.91Å; S120-L123 PolarHBondContact O-N 3.19Å; S120-S124 PolarHBondContact O-N 3.14Å; S120-S124 PolarHBondContact O-OG 3.17Å |
| 121 | K | 97.8 | Very high | 97.2 | Very high | 163 Ų | 163 | 69.6 Ų | 69.6 | 71% | 0.709 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60.4 | -41 | 177.3 | -76.5 | 176.4 | -176.2 | -179.2 | 0 | 113 | G117 C118 V119 K125 | G117-K121 VanDerWaalsContact O-CG 3.3Å; G117-K121 WeakPolarHBondContact O-CG 3.2Å; G117-K121 PolarHBondContact O-N 2.93Å; G117-K121 VanDerWaalsContact O-N 3.1Å; C118-K121 PolarHBondContact O-N 3.33Å; V119-K121 PolarHBondContact O-N 3.4Å; K121-K125 WeakPolarHBondContact O-CB 3.43Å; K121-K125 PolarHBondContact O-N 2.81Å; K121-K125 VanDerWaalsContact O-N 3.17Å |
| 122 | I | 97.8 | Very high | 97.1 | Very high | 21 Ų | 21 | 66.8 Ų | 66.8 | 11% | 0.108 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.3 | -45.8 | 178.9 | -69.9 | 164.7 | 0 | 0 | 0 | 110.4 | L87 R92 I95 V96 C118 V119 S120 K125 W126 | L87-I122 HydrophobicContact CD2-CD1 4.01Å; R92-I122 HydrophobicContact CB-CD1 4.43Å; R92-I122 HydrophobicContact CG-CD1 3.83Å; I95-I122 HydrophobicContact CD1-CD1 3.6Å; I95-I122 HydrophobicContact CG2-CB 4.43Å; I95-I122 HydrophobicContact CG2-CG2 4.06Å; V96-I122 HydrophobicContact CG2-CG2 4.15Å; C118-I122 WeakPolarHBondContact O-CG1 3.3Å; C118-I122 PolarHBondContact O-N 3.16Å; V119-I122 PolarHBondContact O-N 3.1Å; S120-I122 PolarHBondContact O-N 2.91Å; I122-K125 PolarHBondContact O-N 2.73Å; I122-W126 WeakPolarHBondContact O-CB 3.44Å; I122-W126 PolarHBondContact O-N 3.23Å |
| 123 | L | 98 | Very high | 97.1 | Very high | 18 Ų | 18 | 72.5 Ų | 72.5 | 9% | 0.094 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.6 | -39.8 | -178.8 | -66.3 | 178.5 | 0 | 0 | 0 | 112.7 | I95 V96 A99 P105 V119 S120 W126 R127 | I95-L123 HydrophobicContact CG2-CD2 3.9Å; I95-L123 HydrophobicContact CG2-CG 4.11Å; V96-L123 HydrophobicContact CG2-CD2 4.49Å; A99-L123 HydrophobicContact CB-CD1 4.14Å; A99-L123 HydrophobicContact CB-CD2 3.45Å; A99-L123 VanDerWaalsContact CB-CD2 3.45Å; A99-L123 HydrophobicContact CB-CG 4.46Å; P105-L123 HydrophobicContact CB-CD1 4.32Å; P105-L123 HydrophobicContact CG-CD1 4.12Å; V119-L123 HydrophobicContact CG1-CD1 3.86Å; V119-L123 HydrophobicContact CG1-CG 4.35Å; V119-L123 WeakPolarHBondContact O-CG 3.46Å; V119-L123 PolarHBondContact O-N 2.71Å; S120-L123 PolarHBondContact O-N 3.19Å; L123-W126 PolarHBondContact O-N 3.3Å; L123-R127 WeakPolarHBondContact O-CG 3.4Å; L123-R127 PolarHBondContact O-N 3.02Å |
| 124 | S | 97.6 | Very high | 97 | Very high | 34 Ų | 34 | 68.8 Ų | 68.8 | 24% | 0.238 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.6 | -49 | 174 | -65.4 | 0 | 0 | 0 | 0 | 111.3 | S120 W126 R127 E128 | S120-S124 PolarHBondContact O-N 3.14Å; S120-S124 PolarHBondContact O-OG 3.17Å; S124-W126 VanDerWaalsContact C-N 3.31Å; S124-W126 PolarHBondContact O-N 3.46Å; S124-R127 PolarHBondContact O-N 3.18Å; S124-E128 WeakPolarHBondContact O-CG 3.37Å; S124-E128 PolarHBondContact O-N 3.01Å |
| 125 | K | 97.2 | Very high | 96.8 | Very high | 66 Ų | 66 | 70.5 Ų | 70.5 | 29% | 0.287 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59 | -41.7 | 176.3 | 177.6 | 173.1 | 179.4 | 168.6 | 0 | 112.6 | K121 I122 R127 E128 T129 K133 | K121-K125 WeakPolarHBondContact O-CB 3.43Å; K121-K125 PolarHBondContact O-N 2.81Å; K121-K125 VanDerWaalsContact O-N 3.17Å; I122-K125 PolarHBondContact O-N 2.73Å; K125-R127 VanDerWaalsContact C-N 3.35Å; K125-E128 PolarHBondContact O-N 2.87Å; K125-T129 HydrophobicContact CG-CG2 4.49Å; K125-T129 PolarHBondContact O-N 3.39Å; K125-T129 PolarHBondContact O-OG1 3.2Å; K125-K133 WeakPolarHBondContact CE-O 3.36Å; K125-K133 PolarHBondContact NZ-O 3.1Å |
| 126 | W | 97.6 | Very high | 96.6 | Very high | 57 Ų | 57 | 77.3 Ų | 77.3 | 22% | 0.216 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 179.2 | 175.7 | 76.1 | 0 | 0 | 0 | 111.4 | H28 V96 I100 I122 L123 S124 E128 G130 | H28-W126 AromaticContact NE2-CH2 3.83Å; H28-W126 AromaticContact NE2-CZ2 3.89Å; V96-W126 HydrophobicContact CG1-CD2 3.84Å; V96-W126 HydrophobicContact CG1-CG 4.02Å; V96-W126 HydrophobicContact CG1-CZ2 4.04Å; V96-W126 HydrophobicContact CG2-CB 4.2Å; V96-W126 HydrophobicContact CG2-CD2 4.47Å; V96-W126 HydrophobicContact CG2-CG 3.99Å; I100-W126 HydrophobicContact CD1-CH2 4.14Å; I100-W126 HydrophobicContact CD1-CZ2 3.84Å; I100-W126 HydrophobicContact CG1-CH2 3.82Å; I100-W126 HydrophobicContact CG1-CZ2 4.06Å; I122-W126 WeakPolarHBondContact O-CB 3.44Å; I122-W126 PolarHBondContact O-N 3.23Å; L123-W126 PolarHBondContact O-N 3.3Å; S124-W126 VanDerWaalsContact C-N 3.31Å; S124-W126 PolarHBondContact O-N 3.46Å; W126-E128 VanDerWaalsContact C-N 3.33Å; W126-E128 PolarHBondContact O-N 3.34Å; W126-G130 WeakPolarHBondContact O-CA 3.39Å; W126-G130 PolarHBondContact O-N 3.46Å |
| 127 | R | 96.8 | Very high | 96.2 | Very high | 185 Ų | 185 | 77.9 Ų | 77.9 | 70% | 0.698 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.9 | -34.9 | 174.2 | -71.2 | -176.1 | -64.3 | -177.4 | 3.7 | 113.1 | L123 S124 K125 | L123-R127 WeakPolarHBondContact O-CG 3.4Å; L123-R127 PolarHBondContact O-N 3.02Å; S124-R127 PolarHBondContact O-N 3.18Å; K125-R127 VanDerWaalsContact C-N 3.35Å |
| 128 | E | 96.8 | Very high | 95.8 | Very high | 153 Ų | 153 | 78.8 Ų | 78.8 | 72% | 0.715 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -78.6 | -38.9 | -179.7 | -70.5 | 163.9 | -159.7 | 0 | 0 | 113.5 | S124 K125 W126 | S124-E128 WeakPolarHBondContact O-CG 3.37Å; S124-E128 PolarHBondContact O-N 3.01Å; K125-E128 PolarHBondContact O-N 2.87Å; W126-E128 VanDerWaalsContact C-N 3.33Å; W126-E128 PolarHBondContact O-N 3.34Å |
| 129 | T | 95.8 | Very high | 95.4 | Very high | 82 Ų | 82 | 80.9 Ų | 80.9 | 50% | 0.503 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -121.5 | -13.9 | -167.4 | 65.5 | 0 | 0 | 0 | 0 | 114.7 | K125 S131 | K125-T129 HydrophobicContact CG-CG2 4.49Å; K125-T129 PolarHBondContact O-N 3.39Å; K125-T129 PolarHBondContact O-OG1 3.2Å; T129-S131 PolarHBondContact O-N 3.07Å; T129-S131 VanDerWaalsContact O-N 3.14Å; T129-S131 PolarHBondContact OG1-N 3.31Å |
| 130 | G | 95.5 | Very high | 94.9 | Very high | 54 Ų | 54 | 86 Ų | 86 | 56% | 0.557 | 49% | 0.488 | S | S | * | . | S | Bend | trans | 68.3 | -1.8 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | W126 | W126-G130 WeakPolarHBondContact O-CA 3.39Å; W126-G130 PolarHBondContact O-N 3.46Å |
| 131 | S | 95.7 | Very high | 94.1 | Very high | 43 Ų | 43 | 92.4 Ų | 92.4 | 30% | 0.301 | 51% | 0.509 | S | S | . | . | trans | -102.1 | 129 | -171.8 | -166.8 | 0 | 0 | 0 | 0 | 113.6 | T129 K133 | T129-S131 PolarHBondContact O-N 3.07Å; T129-S131 VanDerWaalsContact O-N 3.14Å; T129-S131 PolarHBondContact OG1-N 3.31Å; S131-K133 VanDerWaalsContact C-N 3.33Å; S131-K133 PolarHBondContact OG-N 3.23Å | ||
| 132 | I | 95.6 | Very high | 93 | Very high | 46 Ų | 46 | 90.2 Ų | 90.2 | 24% | 0.236 | 51% | 0.512 | C | S | . | . | trans | -81 | -14 | 170.8 | 69 | 178.3 | 0 | 0 | 0 | 113.1 | R92 Q93 V96 | R92-I132 WeakPolarHBondContact CD-O 3.16Å; R92-I132 PolarHBondContact NH1-O 3.32Å; Q93-I132 HydrophobicContact CB-CD1 4.46Å; V96-I132 HydrophobicContact CG2-CG2 4.11Å | ||
| 133 | K | 95.8 | Very high | 91.6 | Very high | 153 Ų | 153 | 98.4 Ų | 98.4 | 67% | 0.665 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -69.8 | 142.4 | -173.8 | -67.5 | -177.1 | 179.6 | 175.1 | 0 | 110.1 | K125 S131 | K125-K133 WeakPolarHBondContact CE-O 3.36Å; K125-K133 PolarHBondContact NZ-O 3.1Å; S131-K133 VanDerWaalsContact C-N 3.33Å; S131-K133 PolarHBondContact OG-N 3.23Å |
| 134 | P | 95.5 | Very high | 89.8 | Confident | 60 Ų | 60 | 107.8 Ų | 107.8 | 39% | 0.39 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -68.4 | 157.2 | 179.4 | 27.3 | -25.1 | 0 | 0 | 0 | 109 | P86 R92 | P86-P134 HydrophobicContact CB-CB 3.83Å; P86-P134 HydrophobicContact CB-CG 4.27Å; P86-P134 HydrophobicContact CG-CB 4.07Å; P86-P134 HydrophobicContact CG-CG 4Å; R92-P134 VanDerWaalsContact NH1-CA 3.27Å |
| 135 | G | 93.5 | Very high | 88.5 | Confident | 45 Ų | 45 | 108.5 Ų | 108.5 | 46% | 0.464 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 156.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | I137 | G135-I137 PolarHBondContact O-N 3.23Š|
| 136 | K | 92.2 | Very high | 87.6 | Confident | 206 Ų | 206 | 109.1 Ų | 109.1 | 90% | 0.896 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 118.7 | 171.6 | -175.5 | 174.3 | -179.8 | 175.8 | 0 | 108.5 | ||
| 137 | I | 89.8 | Confident | 87.1 | Confident | 118 Ų | 118 | 110.8 Ų | 110.8 | 61% | 0.605 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 134.3 | 178.4 | -62.2 | 169.4 | 0 | 0 | 0 | 108.3 | P86 G135 | P86-I137 HydrophobicContact CB-CD1 4.18Å; P86-I137 HydrophobicContact CG-CD1 4.24Å; G135-I137 PolarHBondContact O-N 3.23Å |
| 138 | G | 90.1 | Very high | 86.8 | Confident | 59 Ų | 59 | 106.9 Ų | 106.9 | 61% | 0.608 | 61% | 0.605 | S | S | * | * | trans | 76.5 | -177.6 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 139 | G | 89.2 | Confident | 86.5 | Confident | 80 Ų | 80 | 99.9 Ų | 99.9 | 83% | 0.825 | 57% | 0.573 | S | S | * | * | trans | 91.8 | 145.9 | -168.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 140 | S | 87.7 | Confident | 86.4 | Confident | 107 Ų | 107 | 97.9 Ų | 97.9 | 75% | 0.748 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 146.6 | 165.7 | 57.1 | 0 | 0 | 0 | 0 | 108.7 | ||
| 141 | K | 80.5 | Confident | 86.2 | Confident | 191 Ų | 191 | 96 Ų | 96 | 83% | 0.83 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -53 | 140.9 | 160 | -65.6 | -179.1 | -179.2 | 179.4 | 0 | 107.8 | K143 | K141-K143 PolarHBondContact O-N 3.27Å; K141-K143 VanDerWaalsContact O-N 3.11Å |
| 142 | P | 73.4 | Confident | 86 | Confident | 117 Ų | 117 | 94.4 Ų | 94.4 | 76% | 0.76 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 126.5 | 175.8 | 22.5 | -31.8 | 0 | 0 | 0 | 107.8 | K144 | P142-K144 PolarHBondContact O-N 3.22Å; P142-K144 VanDerWaalsContact O-N 3.17Å |
| 143 | K | 68.8 | Low | 86 | Confident | 193 Ų | 193 | 92.2 Ų | 92.2 | 84% | 0.839 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 127.2 | 172 | -72.9 | -172.8 | 174.7 | -177.6 | 0 | 105.9 | K141 S145 | K141-K143 PolarHBondContact O-N 3.27Å; K141-K143 VanDerWaalsContact O-N 3.11Å; K143-S145 PolarHBondContact O-N 3.17Å |
| 144 | K | 61.3 | Low | 85.8 | Confident | 215 Ų | 215 | 86.5 Ų | 86.5 | 94% | 0.935 | 49% | 0.493 | S | S | * | . | trans | -57.5 | 82.9 | -174.3 | -70.7 | -179 | 175.4 | -176.5 | 0 | 110 | P142 L146 | P142-K144 PolarHBondContact O-N 3.22Å; P142-K144 VanDerWaalsContact O-N 3.17Å; K144-L146 PolarHBondContact O-N 3.43Å | ||
| 145 | S | 69.1 | Low | 85.7 | Confident | 49 Ų | 49 | 87.8 Ų | 87.8 | 34% | 0.343 | 50% | 0.496 | S | S | . | . | trans | -67.1 | 120.9 | 149 | 49.3 | 0 | 0 | 0 | 0 | 104.8 | K143 I150 | K143-S145 PolarHBondContact O-N 3.17Å; S145-I150 VanDerWaalsContact OG-CD1 3.28Å; S145-I150 WeakPolarHBondContact OG-CD1 3.43Å | ||
| 146 | L | 79.9 | Confident | 85.8 | Confident | 79 Ų | 79 | 86.4 Ų | 86.4 | 41% | 0.414 | 48% | 0.477 | S | S | . | . | trans | -52.6 | 128.4 | 178.5 | -172.1 | 70.5 | 0 | 0 | 0 | 108.1 | K144 E148 V149 I150 | K144-L146 PolarHBondContact O-N 3.43Å; L146-E148 HydrophobicContact CD2-CB 3.92Å; L146-E148 WeakPolarHBondContact CD2-OE2 3.49Å; L146-E148 HydrophobicContact CG-CB 3.93Å; L146-E148 PolarHBondContact O-N 2.86Å; L146-E148 VanDerWaalsContact O-N 3.09Å; L146-V149 HydrophobicContact CB-CB 4.42Å; L146-V149 HydrophobicContact CB-CG2 3.93Å; L146-V149 HydrophobicContact CD2-CG2 4.38Å; L146-V149 WeakPolarHBondContact O-CB 3.45Å; L146-V149 PolarHBondContact O-N 3.5Å; L146-I150 PolarHBondContact O-N 3.33Å | ||
| 147 | P | 87.1 | Confident | 85.8 | Confident | 91 Ų | 91 | 79 Ų | 79 | 59% | 0.591 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -54.8 | -31.1 | -177.4 | 20 | -32.3 | 0 | 0 | 0 | 112.1 | I150 A151 | P147-I150 PolarHBondContact O-N 3.34Å; P147-A151 WeakPolarHBondContact O-CB 3.04Å; P147-A151 PolarHBondContact O-N 3.05Å |
| 148 | E | 88.7 | Confident | 85.9 | Confident | 103 Ų | 103 | 82.3 Ų | 82.3 | 48% | 0.481 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -58.8 | -48.1 | 172.1 | -170.3 | 178.9 | -178 | 0 | 0 | 113 | L146 I150 A151 A152 I177 | L146-E148 HydrophobicContact CD2-CB 3.92Å; L146-E148 WeakPolarHBondContact CD2-OE2 3.49Å; L146-E148 HydrophobicContact CG-CB 3.93Å; L146-E148 PolarHBondContact O-N 2.86Å; L146-E148 VanDerWaalsContact O-N 3.09Å; E148-I150 VanDerWaalsContact C-N 3.3Å; E148-I150 PolarHBondContact O-N 3.48Å; E148-A151 WeakPolarHBondContact O-CB 3.35Å; E148-A151 PolarHBondContact O-N 2.97Å; E148-A151 VanDerWaalsContact O-N 3.12Å; E148-A152 WeakPolarHBondContact O-CB 3.42Å; E148-A152 PolarHBondContact O-N 2.88Å; E148-I177 HydrophobicContact CG-CG2 4.09Å |
| 149 | V | 92.4 | Very high | 86 | Confident | 7 Ų | 7 | 84.3 Ų | 84.3 | 4% | 0.042 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 175.8 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | L146 A151 I153 L172 I177 C178 P184 | L146-V149 HydrophobicContact CB-CB 4.42Å; L146-V149 HydrophobicContact CB-CG2 3.93Å; L146-V149 HydrophobicContact CD2-CG2 4.38Å; L146-V149 WeakPolarHBondContact O-CB 3.45Å; L146-V149 PolarHBondContact O-N 3.5Å; V149-A151 VanDerWaalsContact C-N 3.34Å; V149-A151 PolarHBondContact O-N 3.13Å; V149-I153 HydrophobicContact CG1-CD1 3.88Å; V149-I153 WeakPolarHBondContact O-CD1 3.32Å; V149-I153 WeakPolarHBondContact O-CG1 3.49Å; V149-I153 PolarHBondContact O-N 3.38Å; V149-L172 HydrophobicContact CG1-CD1 4.17Å; V149-L172 HydrophobicContact CG1-CD2 4.29Å; V149-I177 HydrophobicContact CG2-CG2 3.95Å; V149-C178 WeakPolarHBondContact CG2-SG 3.42Å; V149-P184 HydrophobicContact CG1-CG 3.98Å |
| 150 | I | 91.8 | Very high | 86.2 | Confident | 39 Ų | 39 | 84.9 Ų | 84.9 | 20% | 0.2 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -62 | -46.7 | 176.6 | -48.7 | 177.7 | 0 | 0 | 0 | 109.2 | S145 L146 P147 E148 I153 N154 I192 | S145-I150 VanDerWaalsContact OG-CD1 3.28Å; S145-I150 WeakPolarHBondContact OG-CD1 3.43Å; L146-I150 PolarHBondContact O-N 3.33Å; P147-I150 PolarHBondContact O-N 3.34Å; E148-I150 VanDerWaalsContact C-N 3.3Å; E148-I150 PolarHBondContact O-N 3.48Å; I150-I153 PolarHBondContact O-N 3.31Å; I150-N154 PolarHBondContact O-N 3.44Å; I150-N154 PolarHBondContact O-ND2 3.11Å; I150-I192 HydrophobicContact CG2-CG2 3.75Å |
| 151 | A | 91.3 | Very high | 86.5 | Confident | 15 Ų | 15 | 84.5 Ų | 84.5 | 12% | 0.124 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -58.2 | -49.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P147 E148 V149 I153 N154 L155 | P147-A151 WeakPolarHBondContact O-CB 3.04Å; P147-A151 PolarHBondContact O-N 3.05Å; E148-A151 WeakPolarHBondContact O-CB 3.35Å; E148-A151 PolarHBondContact O-N 2.97Å; E148-A151 VanDerWaalsContact O-N 3.12Å; V149-A151 VanDerWaalsContact C-N 3.34Å; V149-A151 PolarHBondContact O-N 3.13Å; A151-I153 PolarHBondContact O-N 3.26Å; A151-N154 PolarHBondContact O-N 3.29Å; A151-N154 VanDerWaalsContact O-N 3.14Å; A151-N154 PolarHBondContact O-ND2 3.12Å; A151-L155 PolarHBondContact O-N 3.16Å |
| 152 | A | 93.2 | Very high | 87.2 | Confident | 10 Ų | 10 | 78.9 Ų | 78.9 | 8% | 0.083 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -58.4 | -44.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E148 N154 L155 Y156 L172 I177 | E148-A152 WeakPolarHBondContact O-CB 3.42Å; E148-A152 PolarHBondContact O-N 2.88Å; A152-N154 VanDerWaalsContact C-N 3.26Å; A152-N154 PolarHBondContact O-N 3.13Å; A152-L155 WeakPolarHBondContact O-CB 3.47Å; A152-L155 PolarHBondContact O-N 2.96Å; A152-Y156 HydrophobicContact CB-CE2 4.01Å; A152-Y156 WeakPolarHBondContact O-CD2 3.48Å; A152-Y156 VanDerWaalsContact O-CG 3.27Å; A152-Y156 PolarHBondContact O-N 3.26Å; A152-L172 HydrophobicContact CB-CD2 3.87Å; A152-I177 HydrophobicContact CB-CD1 3.38Å; A152-I177 HydrophobicContact CB-CG2 4.49Å |
| 153 | I | 94.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -55.7 | -41 | 176.6 | -70.8 | 166.3 | 0 | 0 | 0 | 111.5 | V149 I150 A151 K157 I168 L172 P184 I189 I192 I193 | V149-I153 HydrophobicContact CG1-CD1 3.88Å; V149-I153 WeakPolarHBondContact O-CD1 3.32Å; V149-I153 WeakPolarHBondContact O-CG1 3.49Å; V149-I153 PolarHBondContact O-N 3.38Å; I150-I153 PolarHBondContact O-N 3.31Å; A151-I153 PolarHBondContact O-N 3.26Å; I153-K157 PolarHBondContact O-N 3.44Å; I153-K157 VanDerWaalsContact O-N 3.1Å; I153-I168 HydrophobicContact CG1-CG2 3.91Å; I153-I168 HydrophobicContact CG2-CG2 4.43Å; I153-L172 HydrophobicContact CD1-CD1 4.2Å; I153-L172 HydrophobicContact CG1-CD1 3.94Å; I153-L172 HydrophobicContact CG1-CD2 4.43Å; I153-P184 HydrophobicContact CD1-CG 4.45Å; I153-I189 HydrophobicContact CD1-CG1 4.2Å; I153-I189 HydrophobicContact CG2-CG2 4.35Å; I153-I192 HydrophobicContact CB-CG2 4.41Å; I153-I192 HydrophobicContact CD1-CD1 3.7Å; I153-I192 HydrophobicContact CD1-CG2 4.3Å; I153-I192 HydrophobicContact CG2-CG2 3.99Å; I153-I193 HydrophobicContact CG2-CG1 3.9Å |
| 154 | N | 92.3 | Very high | 89.5 | Confident | 32 Ų | 32 | 70.4 Ų | 70.4 | 17% | 0.171 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -76.7 | -32.5 | 178.3 | -30.7 | -69.6 | 0 | 0 | 0 | 112.2 | I150 A151 A152 Y156 K157 R158 R196 | I150-N154 PolarHBondContact O-N 3.44Å; I150-N154 PolarHBondContact O-ND2 3.11Å; A151-N154 PolarHBondContact O-N 3.29Å; A151-N154 VanDerWaalsContact O-N 3.14Å; A151-N154 PolarHBondContact O-ND2 3.12Å; A152-N154 VanDerWaalsContact C-N 3.26Å; A152-N154 PolarHBondContact O-N 3.13Å; N154-Y156 VanDerWaalsContact C-N 3.33Å; N154-K157 PolarHBondContact O-N 3.48Å; N154-R158 WeakPolarHBondContact O-CB 3.32Å; N154-R158 PolarHBondContact O-N 2.91Å; N154-R196 VanDerWaalsContact CG-CD 3.46Å; N154-R196 VanDerWaalsContact CG-CZ 3.46Å; N154-R196 PolarHBondContact ND2-NE 3.27Å; N154-R196 PolarHBondContact ND2-NH1 2.99Å; N154-R196 PolarHBondContact ND2-NH2 3.26Å; N154-R196 WeakPolarHBondContact OD1-CD 3.33Å; N154-R196 WeakPolarHBondContact OD1-CG 3.5Å; N154-R196 PolarHBondContact OD1-NE 3.29Å |
| 155 | L | 93.4 | Very high | 91.2 | Very high | 87 Ų | 87 | 60.7 Ų | 60.7 | 46% | 0.455 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.8 | -49.2 | 174.3 | -177.8 | 62.1 | 0 | 0 | 0 | 109.7 | A151 A152 K157 R158 C159 | A151-L155 PolarHBondContact O-N 3.16Å; A152-L155 WeakPolarHBondContact O-CB 3.47Å; A152-L155 PolarHBondContact O-N 2.96Å; L155-K157 PolarHBondContact O-N 3.45Å; L155-R158 PolarHBondContact O-N 3.08Å; L155-R158 VanDerWaalsContact O-N 3.14Å; L155-C159 PolarHBondContact O-N 3.05Å; L155-C159 PolarHBondContact O-SG 3.46Å |
| 156 | Y | 94.8 | Very high | 92.5 | Very high | 16 Ų | 16 | 64.5 Ų | 64.5 | 6% | 0.063 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 177.4 | -57.6 | -36.7 | 0 | 0 | 0 | 112.7 | A152 N154 R158 C159 R160 I168 R171 L172 D175 I177 | A152-Y156 HydrophobicContact CB-CE2 4.01Å; A152-Y156 WeakPolarHBondContact O-CD2 3.48Å; A152-Y156 VanDerWaalsContact O-CG 3.27Å; A152-Y156 PolarHBondContact O-N 3.26Å; N154-Y156 VanDerWaalsContact C-N 3.33Å; Y156-R158 VanDerWaalsContact C-N 3.33Å; Y156-R158 PolarHBondContact O-N 3.11Å; Y156-C159 PolarHBondContact O-N 3.31Å; Y156-R160 PolarHBondContact O-N 2.91Å; Y156-I168 HydrophobicContact CD2-CG2 4.21Å; Y156-R171 HydrophobicContact CD1-CG 4.19Å; Y156-R171 HydrophobicContact CD2-CG 4.43Å; Y156-R171 HydrophobicContact CE1-CG 3.75Å; Y156-R171 HydrophobicContact CE2-CB 4.31Å; Y156-R171 HydrophobicContact CE2-CG 4.01Å; Y156-L172 HydrophobicContact CE2-CD2 3.81Å; Y156-L172 HydrophobicContact CE2-CG 4.03Å; Y156-D175 VanDerWaalsContact CE1-OD2 3.3Å; Y156-D175 WeakPolarHBondContact CE1-OD2 3.15Å; Y156-D175 VanDerWaalsContact CZ-OD2 3.26Å; Y156-D175 WeakPolarHBondContact OH-CB 3.46Å; Y156-D175 VanDerWaalsContact OH-CG 3.29Å; Y156-D175 PolarHBondContact OH-OD2 3.35Å; Y156-I177 VanDerWaalsContact OH-CD1 3.3Å; Y156-I177 WeakPolarHBondContact OH-CD1 3.16Å |
| 157 | K | 93.6 | Very high | 93.4 | Very high | 51 Ų | 51 | 62.8 Ų | 62.8 | 22% | 0.222 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.7 | -30.8 | 175.9 | -84.7 | -57.3 | -156.6 | 172.3 | 0 | 113.7 | I153 N154 L155 R160 P161 M163 I168 I193 | I153-K157 PolarHBondContact O-N 3.44Å; I153-K157 VanDerWaalsContact O-N 3.1Å; N154-K157 PolarHBondContact O-N 3.48Å; L155-K157 PolarHBondContact O-N 3.45Å; K157-R160 CarbonylContact O-C 3.39Å; K157-P161 PolarHBondContact NZ-O 3.38Å; K157-P161 WeakPolarHBondContact O-CA 3.02Å; K157-M163 WeakPolarHBondContact CE-O 3.35Å; K157-M163 PolarHBondContact NZ-O 3.47Å; K157-I168 HydrophobicContact CD-CD1 3.86Å; K157-I168 HydrophobicContact CG-CD1 3.76Å; K157-I193 HydrophobicContact CD-CD1 4.46Å; K157-I193 HydrophobicContact CG-CD1 4.17Å; K157-I193 HydrophobicContact CG-CG1 4.03Å; K157-I193 HydrophobicContact CG-CG2 4.4Å |
| 158 | R | 92 | Very high | 93.8 | Very high | 187 Ų | 187 | 58.4 Ų | 58.4 | 71% | 0.706 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -73.5 | -42.4 | 176.3 | -174 | 174.4 | -178 | 157.8 | -0.1 | 111.2 | N154 L155 Y156 | N154-R158 WeakPolarHBondContact O-CB 3.32Å; N154-R158 PolarHBondContact O-N 2.91Å; L155-R158 PolarHBondContact O-N 3.08Å; L155-R158 VanDerWaalsContact O-N 3.14Å; Y156-R158 VanDerWaalsContact C-N 3.33Å; Y156-R158 PolarHBondContact O-N 3.11Å |
| 159 | C | 92.2 | Very high | 94.2 | Very high | 101 Ų | 101 | 58.6 Ų | 58.6 | 68% | 0.682 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -70.2 | -37.1 | 177 | -63.6 | 0 | 0 | 0 | 0 | 112.4 | L155 Y156 | L155-C159 PolarHBondContact O-N 3.05Å; L155-C159 PolarHBondContact O-SG 3.46Å; Y156-C159 PolarHBondContact O-N 3.31Å |
| 160 | R | 92.9 | Very high | 94.4 | Very high | 93 Ų | 93 | 63.7 Ų | 63.7 | 35% | 0.351 | 31% | 0.309 | S | S | . | . | trans | -140.9 | 91.3 | 179.1 | -173.9 | 179.8 | 121.3 | 91.9 | -4.1 | 110.2 | Y156 K157 S162 M163 E167 | Y156-R160 PolarHBondContact O-N 2.91Å; K157-R160 CarbonylContact O-C 3.39Å; R160-S162 WeakPolarHBondContact CG-OG 3.39Å; R160-S162 PolarHBondContact NH1-OG 3.08Å; R160-S162 PolarHBondContact O-N 3.02Å; R160-M163 HydrophobicContact CB-CB 4.19Å; R160-M163 HydrophobicContact CB-CE 4.2Å; R160-M163 HydrophobicContact CG-CB 4.07Å; R160-M163 WeakPolarHBondContact O-CB 3.14Å; R160-M163 PolarHBondContact O-N 3.49Å; R160-E167 IonicContact CZ-OE2 3.88Å; R160-E167 IonicContact NE-OE2 3.12Å; R160-E167 IonicContact NH2-OE1 2.66Å; R160-E167 PolarHBondContact NH2-OE1 2.9Å; R160-E167 IonicContact NH2-OE2 3.79Å; R160-E167 PolarHBondContact NH2-OE2 2.9Å | ||
| 161 | P | 93.5 | Very high | 94.6 | Very high | 99 Ų | 99 | 66.8 Ų | 66.8 | 64% | 0.643 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -32.5 | -180 | -26.7 | 35.5 | 0 | 0 | 0 | 113.7 | K157 M163 | K157-P161 PolarHBondContact NZ-O 3.38Å; K157-P161 WeakPolarHBondContact O-CA 3.02Å; P161-M163 PolarHBondContact O-N 3.38Å |
| 162 | S | 94.3 | Very high | 94.9 | Very high | 72 Ų | 72 | 66 Ų | 66 | 50% | 0.503 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -5.5 | 176.9 | 65.5 | 0 | 0 | 0 | 0 | 114.2 | R160 F164 | R160-S162 WeakPolarHBondContact CG-OG 3.39Å; R160-S162 PolarHBondContact NH1-OG 3.08Å; R160-S162 PolarHBondContact O-N 3.02Å; S162-F164 PolarHBondContact O-N 3.03Å |
| 163 | M | 94.6 | Very high | 95 | Very high | 22 Ų | 22 | 68.1 Ų | 68.1 | 11% | 0.108 | 32% | 0.322 | C | S | . | . | trans | -66.5 | 121.4 | -177.7 | -167.4 | 179.9 | -78.4 | 0 | 0 | 110.9 | K157 R160 P161 E167 I168 | K157-M163 WeakPolarHBondContact CE-O 3.35Å; K157-M163 PolarHBondContact NZ-O 3.47Å; R160-M163 HydrophobicContact CB-CB 4.19Å; R160-M163 HydrophobicContact CB-CE 4.2Å; R160-M163 HydrophobicContact CG-CB 4.07Å; R160-M163 WeakPolarHBondContact O-CB 3.14Å; R160-M163 PolarHBondContact O-N 3.49Å; P161-M163 PolarHBondContact O-N 3.38Å; M163-E167 WeakPolarHBondContact CA-OE2 3.29Å; M163-E167 HydrophobicContact CG-CB 3.72Å; M163-E167 VanDerWaalsContact CG-OE2 3.25Å; M163-E167 WeakPolarHBondContact CG-OE2 3.45Å; M163-E167 HydrophobicContact SD-CB 4.5Å; M163-I168 HydrophobicContact CB-CG1 4.4Å; M163-I168 HydrophobicContact CG-CG1 3.8Å; M163-I168 HydrophobicContact SD-CG1 3.59Å; M163-I168 VanDerWaalsContact SD-CG1 3.59Å | ||
| 164 | F | 96.9 | Very high | 95.1 | Very high | 111 Ų | 111 | 72.8 Ų | 72.8 | 49% | 0.487 | 35% | 0.354 | S | S | . | . | trans | -73.1 | 156.6 | 179.7 | -65.2 | -71.4 | 0 | 0 | 0 | 111.4 | S162 W166 E167 I168 | S162-F164 PolarHBondContact O-N 3.03Å; F164-W166 HydrophobicContact CB-CG 4.27Å; F164-W166 VanDerWaalsContact CB-NE1 3.26Å; F164-W166 HydrophobicContact CD2-CZ2 4.36Å; F164-W166 AromaticContact CD2-NE1 3.93Å; F164-W166 AromaticContact CG-NE1 3.72Å; F164-W166 PolarHBondContact O-N 3.47Å; F164-E167 HydrophobicContact CB-CG 4.25Å; F164-E167 PolarHBondContact N-OE2 3.16Å; F164-E167 WeakPolarHBondContact O-CB 3.21Å; F164-E167 PolarHBondContact O-N 2.95Å; F164-E167 VanDerWaalsContact O-N 3.1Å; F164-I168 WeakPolarHBondContact O-CG1 3.43Å; F164-I168 PolarHBondContact O-N 3.24Å | ||
| 165 | S | 96.8 | Very high | 95.2 | Very high | 10 Ų | 10 | 74.6 Ų | 74.6 | 7% | 0.07 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67.1 | -22.1 | -176.4 | -65.4 | 0 | 0 | 0 | 0 | 113.9 | R169 I186 N190 I193 | S165-R169 PolarHBondContact O-N 2.55Å; S165-I186 WeakPolarHBondContact O-CD1 3.29Å; S165-N190 WeakPolarHBondContact CB-OD1 3.22Å; S165-N190 PolarHBondContact OG-OD1 3.1Å; S165-I193 WeakPolarHBondContact OG-CD1 3.49Å |
| 166 | W | 97.1 | Very high | 95.2 | Very high | 129 Ų | 129 | 73.4 Ų | 73.4 | 49% | 0.489 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -74.1 | -41.1 | 171.1 | 64 | -96 | 0 | 0 | 0 | 111.6 | F164 I168 R169 E170 I186 | F164-W166 HydrophobicContact CB-CG 4.27Å; F164-W166 VanDerWaalsContact CB-NE1 3.26Å; F164-W166 HydrophobicContact CD2-CZ2 4.36Å; F164-W166 AromaticContact CD2-NE1 3.93Å; F164-W166 AromaticContact CG-NE1 3.72Å; F164-W166 PolarHBondContact O-N 3.47Å; W166-I168 VanDerWaalsContact C-N 3.31Å; W166-I168 PolarHBondContact O-N 2.92Å; W166-R169 VanDerWaalsContact O-CB 3.29Å; W166-R169 WeakPolarHBondContact O-CB 3.38Å; W166-R169 PolarHBondContact O-N 3.4Å; W166-R169 VanDerWaalsContact O-N 3.09Å; W166-E170 WeakPolarHBondContact CZ3-OE2 3.35Å; W166-E170 PolarHBondContact O-N 3.48Å; W166-I186 HydrophobicContact CB-CD1 4Å |
| 167 | E | 97.9 | Very high | 95.1 | Very high | 43 Ų | 43 | 74.3 Ų | 74.3 | 20% | 0.201 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 173.2 | -60.6 | 173.5 | 143.1 | 0 | 0 | 111.3 | R160 M163 F164 R169 E170 R171 | R160-E167 IonicContact CZ-OE2 3.88Å; R160-E167 IonicContact NE-OE2 3.12Å; R160-E167 IonicContact NH2-OE1 2.66Å; R160-E167 PolarHBondContact NH2-OE1 2.9Å; R160-E167 IonicContact NH2-OE2 3.79Å; R160-E167 PolarHBondContact NH2-OE2 2.9Å; M163-E167 WeakPolarHBondContact CA-OE2 3.29Å; M163-E167 HydrophobicContact CG-CB 3.72Å; M163-E167 VanDerWaalsContact CG-OE2 3.25Å; M163-E167 WeakPolarHBondContact CG-OE2 3.45Å; M163-E167 HydrophobicContact SD-CB 4.5Å; F164-E167 HydrophobicContact CB-CG 4.25Å; F164-E167 PolarHBondContact N-OE2 3.16Å; F164-E167 WeakPolarHBondContact O-CB 3.21Å; F164-E167 PolarHBondContact O-N 2.95Å; F164-E167 VanDerWaalsContact O-N 3.1Å; E167-R169 VanDerWaalsContact C-N 3.28Å; E167-R169 PolarHBondContact O-N 3.27Å; E167-E170 PolarHBondContact O-N 2.65Å; E167-R171 WeakPolarHBondContact O-CB 3.42Å; E167-R171 PolarHBondContact O-N 3.26Å |
| 168 | I | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 174.4 | -69.7 | 169.7 | 0 | 0 | 0 | 110.7 | I153 Y156 K157 M163 F164 W166 R171 L172 I189 I193 | I153-I168 HydrophobicContact CG1-CG2 3.91Å; I153-I168 HydrophobicContact CG2-CG2 4.43Å; Y156-I168 HydrophobicContact CD2-CG2 4.21Å; K157-I168 HydrophobicContact CD-CD1 3.86Å; K157-I168 HydrophobicContact CG-CD1 3.76Å; M163-I168 HydrophobicContact CB-CG1 4.4Å; M163-I168 HydrophobicContact CG-CG1 3.8Å; M163-I168 HydrophobicContact SD-CG1 3.59Å; M163-I168 VanDerWaalsContact SD-CG1 3.59Å; F164-I168 WeakPolarHBondContact O-CG1 3.43Å; F164-I168 PolarHBondContact O-N 3.24Å; W166-I168 VanDerWaalsContact C-N 3.31Å; W166-I168 PolarHBondContact O-N 2.92Å; I168-R171 PolarHBondContact O-N 2.68Å; I168-L172 HydrophobicContact CG2-CD1 4.18Å; I168-L172 HydrophobicContact CG2-CG 4.46Å; I168-L172 VanDerWaalsContact O-CG 3.28Å; I168-L172 WeakPolarHBondContact O-CG 3.28Å; I168-L172 PolarHBondContact O-N 3.17Å; I168-I189 HydrophobicContact CB-CG2 4.28Å; I168-I189 HydrophobicContact CD1-CG2 4.35Å; I168-I189 HydrophobicContact CG2-CD1 4.37Å; I168-I189 HydrophobicContact CG2-CG2 3.86Å; I168-I193 HydrophobicContact CD1-CD1 3.89Å |
| 169 | R | 96.7 | Very high | 95.1 | Very high | 106 Ų | 106 | 67.3 Ų | 67.3 | 40% | 0.4 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.5 | -47.8 | 178 | -172.1 | -171.1 | 174.5 | -142.5 | -3.9 | 111.1 | S165 W166 E167 R171 L172 I173 V183 I186 I189 | S165-R169 PolarHBondContact O-N 2.55Å; W166-R169 VanDerWaalsContact O-CB 3.29Å; W166-R169 WeakPolarHBondContact O-CB 3.38Å; W166-R169 PolarHBondContact O-N 3.4Å; W166-R169 VanDerWaalsContact O-N 3.09Å; E167-R169 VanDerWaalsContact C-N 3.28Å; E167-R169 PolarHBondContact O-N 3.27Å; R169-R171 VanDerWaalsContact C-N 3.32Å; R169-L172 PolarHBondContact O-N 3.1Å; R169-I173 PolarHBondContact O-N 2.73Å; R169-V183 HydrophobicContact CB-CG2 4.47Å; R169-V183 HydrophobicContact CG-CB 4.47Å; R169-V183 HydrophobicContact CG-CG1 4.19Å; R169-V183 HydrophobicContact CG-CG2 3.46Å; R169-V183 VanDerWaalsContact CG-CG2 3.46Å; R169-I186 HydrophobicContact CB-CD1 3.88Å; R169-I186 HydrophobicContact CG-CD1 4.35Å; R169-I189 HydrophobicContact CB-CD1 3.81Å; R169-I189 HydrophobicContact CG-CD1 4.32Å |
| 170 | E | 96.9 | Very high | 95.1 | Very high | 115 Ų | 115 | 69 Ų | 69 | 54% | 0.537 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 177.3 | -69.2 | 173.2 | 174 | 0 | 0 | 111.2 | W166 E167 L172 I173 S174 | W166-E170 WeakPolarHBondContact CZ3-OE2 3.35Å; W166-E170 PolarHBondContact O-N 3.48Å; E167-E170 PolarHBondContact O-N 2.65Å; E170-L172 PolarHBondContact O-N 3.4Å; E170-I173 PolarHBondContact O-N 2.89Å; E170-S174 WeakPolarHBondContact O-CB 3.22Å; E170-S174 PolarHBondContact O-N 3.01Å |
| 171 | R | 96.1 | Very high | 95.1 | Very high | 103 Ų | 103 | 74.7 Ų | 74.7 | 39% | 0.389 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66 | -39 | 179.1 | -169.5 | 60.5 | -177 | -93.6 | -6.9 | 113 | Y156 E167 I168 R169 I173 S174 D175 | Y156-R171 HydrophobicContact CD1-CG 4.19Å; Y156-R171 HydrophobicContact CD2-CG 4.43Å; Y156-R171 HydrophobicContact CE1-CG 3.75Å; Y156-R171 HydrophobicContact CE2-CB 4.31Å; Y156-R171 HydrophobicContact CE2-CG 4.01Å; E167-R171 WeakPolarHBondContact O-CB 3.42Å; E167-R171 PolarHBondContact O-N 3.26Å; I168-R171 PolarHBondContact O-N 2.68Å; R169-R171 VanDerWaalsContact C-N 3.32Å; R171-I173 PolarHBondContact O-N 3.27Å; R171-S174 PolarHBondContact O-N 3.25Å; R171-D175 IonicContact CZ-OD1 2.65Å; R171-D175 IonicContact CZ-OD2 3.65Å; R171-D175 VanDerWaalsContact NE-CG 3.3Å; R171-D175 IonicContact NE-OD1 3.88Å; R171-D175 PolarHBondContact NE-OD1 3.2Å; R171-D175 IonicContact NE-OD2 3.65Å; R171-D175 PolarHBondContact NE-OD2 3.39Å; R171-D175 VanDerWaalsContact NE-OD2 3.12Å; R171-D175 IonicContact NH2-OD1 3.63Å; R171-D175 IonicContact NH2-OD2 2.79Å; R171-D175 WeakPolarHBondContact O-CB 3.18Å; R171-D175 PolarHBondContact O-N 2.98Å |
| 172 | L | 96.2 | Very high | 95 | Very high | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.4 | -33.6 | 174.3 | -76.5 | 168.6 | 0 | 0 | 0 | 112.6 | V149 A152 I153 Y156 I168 R169 E170 I177 C178 V183 P184 | V149-L172 HydrophobicContact CG1-CD1 4.17Å; V149-L172 HydrophobicContact CG1-CD2 4.29Å; A152-L172 HydrophobicContact CB-CD2 3.87Å; I153-L172 HydrophobicContact CD1-CD1 4.2Å; I153-L172 HydrophobicContact CG1-CD1 3.94Å; I153-L172 HydrophobicContact CG1-CD2 4.43Å; Y156-L172 HydrophobicContact CE2-CD2 3.81Å; Y156-L172 HydrophobicContact CE2-CG 4.03Å; I168-L172 HydrophobicContact CG2-CD1 4.18Å; I168-L172 HydrophobicContact CG2-CG 4.46Å; I168-L172 VanDerWaalsContact O-CG 3.28Å; I168-L172 WeakPolarHBondContact O-CG 3.28Å; I168-L172 PolarHBondContact O-N 3.17Å; R169-L172 PolarHBondContact O-N 3.1Å; E170-L172 PolarHBondContact O-N 3.4Å; L172-I177 HydrophobicContact CD2-CB 4.21Å; L172-I177 HydrophobicContact CD2-CD1 4.28Å; L172-I177 HydrophobicContact CD2-CG2 4.18Å; L172-I177 PolarHBondContact O-N 3.41Å; L172-I177 VanDerWaalsContact O-N 3.14Å; L172-C178 HydrophobicContact CB-CB 4.31Å; L172-C178 PolarHBondContact O-N 3.3Å; L172-V183 HydrophobicContact CB-CG2 4.36Å; L172-V183 HydrophobicContact CD1-CG2 4.45Å; L172-P184 HydrophobicContact CD1-CG 4.13Å |
| 173 | I | 96.1 | Very high | 94.9 | Very high | 54 Ų | 54 | 72.2 Ų | 72.2 | 28% | 0.277 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -76.6 | -46.7 | 176.1 | -61.4 | 166.2 | 0 | 0 | 0 | 109.8 | R169 E170 R171 D175 G176 C178 E180 V183 | R169-I173 PolarHBondContact O-N 2.73Å; E170-I173 PolarHBondContact O-N 2.89Å; R171-I173 PolarHBondContact O-N 3.27Å; I173-D175 VanDerWaalsContact C-N 3.32Å; I173-D175 PolarHBondContact O-N 2.95Å; I173-G176 PolarHBondContact O-N 2.64Å; I173-C178 WeakPolarHBondContact CA-O 3.39Å; I173-E180 HydrophobicContact CG2-CG 4.37Å; I173-V183 HydrophobicContact CD1-CB 4.35Å; I173-V183 HydrophobicContact CD1-CG1 4.23Å; I173-V183 HydrophobicContact CD1-CG2 4.3Å; I173-V183 HydrophobicContact CG1-CB 4.21Å; I173-V183 HydrophobicContact CG1-CG2 4.07Å |
| 174 | S | 95.8 | Very high | 94.8 | Very high | 97 Ų | 97 | 72.2 Ų | 72.2 | 68% | 0.678 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.4 | -36.1 | 180 | -174.9 | 0 | 0 | 0 | 0 | 113.4 | E170 R171 G176 | E170-S174 WeakPolarHBondContact O-CB 3.22Å; E170-S174 PolarHBondContact O-N 3.01Å; R171-S174 PolarHBondContact O-N 3.25Å; S174-G176 VanDerWaalsContact C-N 3.25Å; S174-G176 PolarHBondContact O-N 3.14Å |
| 175 | D | 94.5 | Very high | 94.7 | Very high | 70 Ų | 70 | 70.3 Ų | 70.3 | 37% | 0.374 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 0.5 | 178.6 | -70.9 | -1.1 | 0 | 0 | 0 | 112.2 | Y156 R171 I173 I177 | Y156-D175 VanDerWaalsContact CE1-OD2 3.3Å; Y156-D175 WeakPolarHBondContact CE1-OD2 3.15Å; Y156-D175 VanDerWaalsContact CZ-OD2 3.26Å; Y156-D175 WeakPolarHBondContact OH-CB 3.46Å; Y156-D175 VanDerWaalsContact OH-CG 3.29Å; Y156-D175 PolarHBondContact OH-OD2 3.35Å; R171-D175 IonicContact CZ-OD1 2.65Å; R171-D175 IonicContact CZ-OD2 3.65Å; R171-D175 VanDerWaalsContact NE-CG 3.3Å; R171-D175 IonicContact NE-OD1 3.88Å; R171-D175 PolarHBondContact NE-OD1 3.2Å; R171-D175 IonicContact NE-OD2 3.65Å; R171-D175 PolarHBondContact NE-OD2 3.39Å; R171-D175 VanDerWaalsContact NE-OD2 3.12Å; R171-D175 IonicContact NH2-OD1 3.63Å; R171-D175 IonicContact NH2-OD2 2.79Å; R171-D175 WeakPolarHBondContact O-CB 3.18Å; R171-D175 PolarHBondContact O-N 2.98Å; I173-D175 VanDerWaalsContact C-N 3.32Å; I173-D175 PolarHBondContact O-N 2.95Å; D175-I177 VanDerWaalsContact C-N 3.26Å; D175-I177 HydrophobicContact CB-CD1 4.18Å; D175-I177 HydrophobicContact CB-CG1 4.06Å; D175-I177 PolarHBondContact O-N 2.87Å |
| 176 | G | 93.1 | Very high | 94.7 | Very high | 63 Ų | 63 | 72.8 Ų | 72.8 | 65% | 0.649 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | 7.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | I173 S174 | I173-G176 PolarHBondContact O-N 2.64Å; S174-G176 VanDerWaalsContact C-N 3.25Å; S174-G176 PolarHBondContact O-N 3.14Å |
| 177 | I | 92.7 | Very high | 94.6 | Very high | 34 Ų | 34 | 71 Ų | 71 | 17% | 0.174 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -73.5 | -32.8 | -179.2 | -52.3 | -179 | 0 | 0 | 0 | 110.7 | E148 V149 A152 Y156 L172 D175 | E148-I177 HydrophobicContact CG-CG2 4.09Å; V149-I177 HydrophobicContact CG2-CG2 3.95Å; A152-I177 HydrophobicContact CB-CD1 3.38Å; A152-I177 HydrophobicContact CB-CG2 4.49Å; Y156-I177 VanDerWaalsContact OH-CD1 3.3Å; Y156-I177 WeakPolarHBondContact OH-CD1 3.16Å; L172-I177 HydrophobicContact CD2-CB 4.21Å; L172-I177 HydrophobicContact CD2-CD1 4.28Å; L172-I177 HydrophobicContact CD2-CG2 4.18Å; L172-I177 PolarHBondContact O-N 3.41Å; L172-I177 VanDerWaalsContact O-N 3.14Å; D175-I177 VanDerWaalsContact C-N 3.26Å; D175-I177 HydrophobicContact CB-CD1 4.18Å; D175-I177 HydrophobicContact CB-CG1 4.06Å; D175-I177 PolarHBondContact O-N 2.87Å |
| 178 | C | 93.3 | Very high | 94.4 | Very high | 6 Ų | 6 | 71 Ų | 71 | 4% | 0.041 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -127.9 | 145.6 | 175 | -71.1 | 0 | 0 | 0 | 0 | 110.7 | V149 L172 I173 V183 | V149-C178 WeakPolarHBondContact CG2-SG 3.42Å; L172-C178 HydrophobicContact CB-CB 4.31Å; L172-C178 PolarHBondContact O-N 3.3Å; I173-C178 WeakPolarHBondContact CA-O 3.39Å; C178-V183 HydrophobicContact CB-CB 3.92Å; C178-V183 HydrophobicContact CB-CG2 4.1Å |
| 179 | T | 92.7 | Very high | 94.3 | Very high | 85 Ų | 85 | 71 Ų | 71 | 52% | 0.521 | 38% | 0.384 | S | S | . | . | trans | -83.1 | 163.9 | 161.2 | 61.8 | 0 | 0 | 0 | 0 | 110 | Y181 N182 V183 | T179-Y181 PolarHBondContact O-N 2.79Å; T179-N182 PolarHBondContact O-N 3.14Å; T179-N182 PolarHBondContact OG1-N 3.02Å; T179-V183 PolarHBondContact O-N 3.31Å | ||
| 180 | E | 92.8 | Very high | 94.2 | Very high | 136 Ų | 136 | 69.1 Ų | 69.1 | 64% | 0.636 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -28 | 176.9 | -62.2 | -173.9 | 145.7 | 0 | 0 | 113.3 | I173 | I173-E180 HydrophobicContact CG2-CG 4.37Š|
| 181 | Y | 91.8 | Very high | 94 | Very high | 213 Ų | 213 | 71.3 Ų | 71.3 | 84% | 0.835 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -25.8 | 179.8 | -54.6 | -76.4 | 0 | 0 | 0 | 114 | T179 | T179-Y181 PolarHBondContact O-N 2.79Š|
| 182 | N | 91.3 | Very high | 93.8 | Very high | 103 Ų | 103 | 67.2 Ų | 67.2 | 55% | 0.551 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | -8.7 | -176.2 | -168.6 | 33.1 | 0 | 0 | 0 | 113.3 | T179 | T179-N182 PolarHBondContact O-N 3.14Å; T179-N182 PolarHBondContact OG1-N 3.02Å |
| 183 | V | 92.5 | Very high | 93.6 | Very high | 17 Ų | 17 | 68.5 Ų | 68.5 | 10% | 0.103 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -63 | 133 | -178.6 | 73.7 | 0 | 0 | 0 | 0 | 111.1 | R169 L172 I173 C178 T179 | R169-V183 HydrophobicContact CB-CG2 4.47Å; R169-V183 HydrophobicContact CG-CB 4.47Å; R169-V183 HydrophobicContact CG-CG1 4.19Å; R169-V183 HydrophobicContact CG-CG2 3.46Å; R169-V183 VanDerWaalsContact CG-CG2 3.46Å; L172-V183 HydrophobicContact CB-CG2 4.36Å; L172-V183 HydrophobicContact CD1-CG2 4.45Å; I173-V183 HydrophobicContact CD1-CB 4.35Å; I173-V183 HydrophobicContact CD1-CG1 4.23Å; I173-V183 HydrophobicContact CD1-CG2 4.3Å; I173-V183 HydrophobicContact CG1-CB 4.21Å; I173-V183 HydrophobicContact CG1-CG2 4.07Å; C178-V183 HydrophobicContact CB-CB 3.92Å; C178-V183 HydrophobicContact CB-CG2 4.1Å; T179-V183 PolarHBondContact O-N 3.31Å |
| 184 | P | 93.3 | Very high | 93.4 | Very high | 22 Ų | 22 | 72.9 Ų | 72.9 | 14% | 0.143 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 150.4 | 178.3 | 25 | -34 | 0 | 0 | 0 | 111.8 | V149 I153 L172 I189 | V149-P184 HydrophobicContact CG1-CG 3.98Å; I153-P184 HydrophobicContact CD1-CG 4.45Å; L172-P184 HydrophobicContact CD1-CG 4.13Å; P184-I189 HydrophobicContact CB-CG1 4.09Å; P184-I189 HydrophobicContact CG-CD1 4.12Å; P184-I189 HydrophobicContact CG-CG1 3.71Å |
| 185 | S | 94.5 | Very high | 92.8 | Very high | 70 Ų | 70 | 72.2 Ų | 72.2 | 49% | 0.49 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 154.8 | 172.6 | 70.9 | 0 | 0 | 0 | 0 | 111.5 | S187 S188 I189 | S185-S187 PolarHBondContact O-N 3.06Å; S185-S187 VanDerWaalsContact O-N 3.16Å; S185-S188 WeakPolarHBondContact O-CA 3.25Å; S185-S188 WeakPolarHBondContact O-CB 3.21Å; S185-S188 PolarHBondContact O-N 3.09Å; S185-S188 PolarHBondContact OG-N 2.93Å; S185-I189 PolarHBondContact O-N 3.23Å |
| 186 | I | 96.1 | Very high | 91.6 | Very high | 62 Ų | 62 | 71 Ų | 71 | 32% | 0.318 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -52.7 | -39.3 | 176.1 | -56.6 | -56.2 | 0 | 0 | 0 | 111.5 | S165 W166 R169 I189 N190 | S165-I186 WeakPolarHBondContact O-CD1 3.29Å; W166-I186 HydrophobicContact CB-CD1 4Å; R169-I186 HydrophobicContact CB-CD1 3.88Å; R169-I186 HydrophobicContact CG-CD1 4.35Å; I186-I189 PolarHBondContact O-N 3.44Å; I186-N190 WeakPolarHBondContact O-CB 3.47Å; I186-N190 PolarHBondContact O-N 3.09Å; I186-N190 PolarHBondContact O-ND2 2.66Å |
| 187 | S | 95.6 | Very high | 89.9 | Confident | 91 Ų | 91 | 74.6 Ų | 74.6 | 64% | 0.636 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.6 | -39.1 | 175.9 | -69.5 | 0 | 0 | 0 | 0 | 112.9 | S185 R191 | S185-S187 PolarHBondContact O-N 3.06Å; S185-S187 VanDerWaalsContact O-N 3.16Å; S187-R191 WeakPolarHBondContact O-CB 3.41Å; S187-R191 PolarHBondContact O-N 2.97Å |
| 188 | S | 93.2 | Very high | 88.1 | Confident | 45 Ų | 45 | 80.1 Ų | 80.1 | 32% | 0.315 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67 | -44 | 175.8 | -169.8 | 0 | 0 | 0 | 0 | 111.2 | S185 N190 R191 I192 | S185-S188 WeakPolarHBondContact O-CA 3.25Å; S185-S188 WeakPolarHBondContact O-CB 3.21Å; S185-S188 PolarHBondContact O-N 3.09Å; S185-S188 PolarHBondContact OG-N 2.93Å; S188-N190 PolarHBondContact O-N 3.19Å; S188-R191 WeakPolarHBondContact O-CB 3.41Å; S188-R191 PolarHBondContact O-N 3.41Å; S188-R191 VanDerWaalsContact O-N 3.12Å; S188-I192 WeakPolarHBondContact O-CG1 3.43Å; S188-I192 PolarHBondContact O-N 3.42Å |
| 189 | I | 94.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -58 | -50 | 174.5 | -64.4 | 169.5 | 0 | 0 | 0 | 110.2 | I153 I168 R169 P184 S185 I186 R191 I192 I193 | I153-I189 HydrophobicContact CD1-CG1 4.2Å; I153-I189 HydrophobicContact CG2-CG2 4.35Å; I168-I189 HydrophobicContact CB-CG2 4.28Å; I168-I189 HydrophobicContact CD1-CG2 4.35Å; I168-I189 HydrophobicContact CG2-CD1 4.37Å; I168-I189 HydrophobicContact CG2-CG2 3.86Å; R169-I189 HydrophobicContact CB-CD1 3.81Å; R169-I189 HydrophobicContact CG-CD1 4.32Å; P184-I189 HydrophobicContact CB-CG1 4.09Å; P184-I189 HydrophobicContact CG-CD1 4.12Å; P184-I189 HydrophobicContact CG-CG1 3.71Å; S185-I189 PolarHBondContact O-N 3.23Å; I186-I189 PolarHBondContact O-N 3.44Å; I189-R191 VanDerWaalsContact C-N 3.25Å; I189-R191 PolarHBondContact O-N 2.95Å; I189-I192 WeakPolarHBondContact O-CB 3.46Å; I189-I192 PolarHBondContact O-N 3.42Å; I189-I193 HydrophobicContact CG2-CD1 3.7Å; I189-I193 HydrophobicContact CG2-CG1 4.36Å; I189-I193 VanDerWaalsContact O-CG1 3.29Å; I189-I193 WeakPolarHBondContact O-CG1 3.45Å; I189-I193 PolarHBondContact O-N 3.48Å |
| 190 | N | 95.4 | Very high | 84.3 | Confident | 65 Ų | 65 | 81.5 Ų | 81.5 | 35% | 0.348 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59 | -34.4 | 175.8 | -82.9 | -26.7 | 0 | 0 | 0 | 113.3 | S165 I186 S188 R194 | S165-N190 WeakPolarHBondContact CB-OD1 3.22Å; S165-N190 PolarHBondContact OG-OD1 3.1Å; I186-N190 WeakPolarHBondContact O-CB 3.47Å; I186-N190 PolarHBondContact O-N 3.09Å; I186-N190 PolarHBondContact O-ND2 2.66Å; S188-N190 PolarHBondContact O-N 3.19Å; N190-R194 WeakPolarHBondContact O-CB 3.28Å; N190-R194 WeakPolarHBondContact O-CG 3.46Å; N190-R194 PolarHBondContact O-N 2.89Å; N190-R194 VanDerWaalsContact O-N 3.16Å; N190-R194 PolarHBondContact O-NE 3.12Å; N190-R194 VanDerWaalsContact O-NE 3.11Å |
| 191 | R | 92.9 | Very high | 82.3 | Confident | 162 Ų | 162 | 80.5 Ų | 80.5 | 61% | 0.611 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -69.4 | -41.6 | 174.5 | -174.8 | 178.4 | -178.9 | 179.1 | -0.7 | 111.2 | S187 S188 I189 R194 N195 | S187-R191 WeakPolarHBondContact O-CB 3.41Å; S187-R191 PolarHBondContact O-N 2.97Å; S188-R191 WeakPolarHBondContact O-CB 3.41Å; S188-R191 PolarHBondContact O-N 3.41Å; S188-R191 VanDerWaalsContact O-N 3.12Å; I189-R191 VanDerWaalsContact C-N 3.25Å; I189-R191 PolarHBondContact O-N 2.95Å; R191-R194 PolarHBondContact O-N 3.05Å; R191-N195 WeakPolarHBondContact O-CB 3.19Å; R191-N195 PolarHBondContact O-N 2.87Å; R191-N195 PolarHBondContact O-ND2 3.39Å; R191-N195 PolarHBondContact O-OD1 3.31Å |
| 192 | I | 91.9 | Very high | 80.2 | Confident | 17 Ų | 17 | 76.1 Ų | 76.1 | 9% | 0.087 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -61.4 | -48.2 | 176.7 | -68.7 | 164.5 | 0 | 0 | 0 | 110.5 | I150 I153 S188 I189 R194 N195 R196 | I150-I192 HydrophobicContact CG2-CG2 3.75Å; I153-I192 HydrophobicContact CB-CG2 4.41Å; I153-I192 HydrophobicContact CD1-CD1 3.7Å; I153-I192 HydrophobicContact CD1-CG2 4.3Å; I153-I192 HydrophobicContact CG2-CG2 3.99Å; S188-I192 WeakPolarHBondContact O-CG1 3.43Å; S188-I192 PolarHBondContact O-N 3.42Å; I189-I192 WeakPolarHBondContact O-CB 3.46Å; I189-I192 PolarHBondContact O-N 3.42Å; I192-R194 PolarHBondContact O-N 3.07Å; I192-N195 PolarHBondContact O-N 3.39Å; I192-R196 WeakPolarHBondContact O-CG 3.47Å; I192-R196 PolarHBondContact O-N 3.48Å; I192-R196 VanDerWaalsContact O-N 3.08Å |
| 193 | I | 92.4 | Very high | 78.2 | Confident | 26 Ų | 26 | 77.5 Ų | 77.5 | 13% | 0.133 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -57.1 | -50.2 | 178.9 | -65 | 162.7 | 0 | 0 | 0 | 110.3 | I153 K157 S165 I168 I189 R196 L197 | I153-I193 HydrophobicContact CG2-CG1 3.9Å; K157-I193 HydrophobicContact CD-CD1 4.46Å; K157-I193 HydrophobicContact CG-CD1 4.17Å; K157-I193 HydrophobicContact CG-CG1 4.03Å; K157-I193 HydrophobicContact CG-CG2 4.4Å; S165-I193 WeakPolarHBondContact OG-CD1 3.49Å; I168-I193 HydrophobicContact CD1-CD1 3.89Å; I189-I193 HydrophobicContact CG2-CD1 3.7Å; I189-I193 HydrophobicContact CG2-CG1 4.36Å; I189-I193 VanDerWaalsContact O-CG1 3.29Å; I189-I193 WeakPolarHBondContact O-CG1 3.45Å; I189-I193 PolarHBondContact O-N 3.48Å; I193-R196 PolarHBondContact O-N 2.9Å; I193-L197 WeakPolarHBondContact O-CG 3.45Å; I193-L197 PolarHBondContact O-N 3.43Å |
| 194 | R | 90.4 | Very high | 75.7 | Confident | 146 Ų | 146 | 83.3 Ų | 83.3 | 55% | 0.551 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62.9 | -46.7 | 178.5 | -72.3 | -179.2 | -70.4 | 164.5 | -5.2 | 112.3 | N190 R191 I192 R196 L197 L198 | N190-R194 WeakPolarHBondContact O-CB 3.28Å; N190-R194 WeakPolarHBondContact O-CG 3.46Å; N190-R194 PolarHBondContact O-N 2.89Å; N190-R194 VanDerWaalsContact O-N 3.16Å; N190-R194 PolarHBondContact O-NE 3.12Å; N190-R194 VanDerWaalsContact O-NE 3.11Å; R191-R194 PolarHBondContact O-N 3.05Å; I192-R194 PolarHBondContact O-N 3.07Å; R194-R196 VanDerWaalsContact C-N 3.26Å; R194-R196 PolarHBondContact O-N 2.91Å; R194-L197 PolarHBondContact O-N 2.89Å; R194-L198 WeakPolarHBondContact O-CD1 3.3Å; R194-L198 PolarHBondContact O-N 3.49Å; R194-L198 VanDerWaalsContact O-N 3.17Å |
| 195 | N | 83.7 | Confident | 73.3 | Confident | 83 Ų | 83 | 89.2 Ų | 89.2 | 44% | 0.444 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.3 | -35.7 | -178 | -74.3 | -8.8 | 0 | 0 | 0 | 112.6 | R191 I192 L198 S199 | R191-N195 WeakPolarHBondContact O-CB 3.19Å; R191-N195 PolarHBondContact O-N 2.87Å; R191-N195 PolarHBondContact O-ND2 3.39Å; R191-N195 PolarHBondContact O-OD1 3.31Å; I192-N195 PolarHBondContact O-N 3.39Å; N195-L198 PolarHBondContact O-N 2.97Å; N195-S199 WeakPolarHBondContact O-CB 3.41Å; N195-S199 PolarHBondContact O-N 3.41Å; N195-S199 PolarHBondContact O-OG 3.03Å; N195-S199 VanDerWaalsContact O-OG 3.05Å |
| 196 | R | 69.6 | Low | 70.9 | Confident | 46 Ų | 46 | 89.8 Ų | 89.8 | 17% | 0.174 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -69.9 | -36.7 | 179.1 | -76.5 | -105.2 | -168.4 | 176.9 | 4.1 | 112.9 | N154 I192 I193 R194 L198 S199 G200 | N154-R196 VanDerWaalsContact CG-CD 3.46Å; N154-R196 VanDerWaalsContact CG-CZ 3.46Å; N154-R196 PolarHBondContact ND2-NE 3.27Å; N154-R196 PolarHBondContact ND2-NH1 2.99Å; N154-R196 PolarHBondContact ND2-NH2 3.26Å; N154-R196 WeakPolarHBondContact OD1-CD 3.33Å; N154-R196 WeakPolarHBondContact OD1-CG 3.5Å; N154-R196 PolarHBondContact OD1-NE 3.29Å; I192-R196 WeakPolarHBondContact O-CG 3.47Å; I192-R196 PolarHBondContact O-N 3.48Å; I192-R196 VanDerWaalsContact O-N 3.08Å; I193-R196 PolarHBondContact O-N 2.9Å; R194-R196 VanDerWaalsContact C-N 3.26Å; R194-R196 PolarHBondContact O-N 2.91Å; R196-L198 VanDerWaalsContact C-N 3.29Å; R196-L198 PolarHBondContact O-N 3.02Å; R196-S199 PolarHBondContact O-N 3.17Å; R196-S199 PolarHBondContact O-OG 2.92Å; R196-G200 PolarHBondContact O-N 3.09Å |
| 197 | L | 57.8 | Low | 68.3 | Low | 137 Ų | 137 | 90 Ų | 90 | 72% | 0.717 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.9 | -36 | 173 | -63.2 | 174.2 | 0 | 0 | 0 | 111.3 | I193 R194 | I193-L197 WeakPolarHBondContact O-CG 3.45Å; I193-L197 PolarHBondContact O-N 3.43Å; R194-L197 PolarHBondContact O-N 2.89Å |
| 198 | L | 55.1 | Low | 65.8 | Low | 150 Ų | 150 | 90.4 Ų | 90.4 | 79% | 0.785 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -76.1 | -26.4 | 176.2 | -83 | 80.4 | 0 | 0 | 0 | 113.3 | R194 N195 R196 | R194-L198 WeakPolarHBondContact O-CD1 3.3Å; R194-L198 PolarHBondContact O-N 3.49Å; R194-L198 VanDerWaalsContact O-N 3.17Å; N195-L198 PolarHBondContact O-N 2.97Å; R196-L198 VanDerWaalsContact C-N 3.29Å; R196-L198 PolarHBondContact O-N 3.02Å |
| 199 | S | 55.9 | Low | 63.4 | Low | 57 Ų | 57 | 96.5 Ų | 96.5 | 40% | 0.399 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -96 | -5.1 | -172.4 | 65.2 | 0 | 0 | 0 | 0 | 115.4 | N195 R196 L201 | N195-S199 WeakPolarHBondContact O-CB 3.41Å; N195-S199 PolarHBondContact O-N 3.41Å; N195-S199 PolarHBondContact O-OG 3.03Å; N195-S199 VanDerWaalsContact O-OG 3.05Å; R196-S199 PolarHBondContact O-N 3.17Å; R196-S199 PolarHBondContact O-OG 2.92Å; S199-L201 WeakPolarHBondContact O-CG 3.3Å; S199-L201 PolarHBondContact O-N 3.42Å |
| 200 | G | 49.9 | Very low | 60.5 | Low | 63 Ų | 63 | 101.4 Ų | 101.4 | 65% | 0.649 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 17.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R196 V202 | R196-G200 PolarHBondContact O-N 3.09Å; G200-V202 PolarHBondContact O-N 3.49Å |
| 201 | L | 51 | Low | 57.6 | Low | 116 Ų | 116 | 105.8 Ų | 105.8 | 61% | 0.607 | 55% | 0.552 | S | S | * | * | trans | -79.3 | 91.3 | -174 | -67.7 | -176.4 | 0 | 0 | 0 | 109.2 | S199 Y203 | S199-L201 WeakPolarHBondContact O-CG 3.3Å; S199-L201 PolarHBondContact O-N 3.42Å; L201-Y203 PolarHBondContact O-N 2.87Å; L201-Y203 VanDerWaalsContact O-N 3.08Å | ||
| 202 | V | 47.4 | Very low | 55.2 | Low | 121 Ų | 121 | 107 Ų | 107 | 73% | 0.733 | 56% | 0.562 | S | S | * | * | trans | -58.2 | 104.4 | 156.5 | -172.8 | 0 | 0 | 0 | 0 | 106.2 | G200 E204 | G200-V202 PolarHBondContact O-N 3.49Å; V202-E204 PolarHBondContact O-N 2.89Å | ||
| 203 | Y | 48.8 | Very low | 52.3 | Low | 132 Ų | 132 | 115.9 Ų | 115.9 | 52% | 0.518 | 60% | 0.6 | S | S | . | * | trans | -78.7 | 112.1 | 166.1 | -140.9 | -80.8 | 0 | 0 | 0 | 105.4 | L201 E205 C207 | L201-Y203 PolarHBondContact O-N 2.87Å; L201-Y203 VanDerWaalsContact O-N 3.08Å; Y203-E205 PolarHBondContact O-N 3.35Å; Y203-C207 HydrophobicContact CE1-CB 3.87Å; Y203-C207 WeakPolarHBondContact CE1-SG 3.44Å | ||
| 204 | E | 39.8 | Very low | 49.7 | Very low | 139 Ų | 139 | 121.4 Ų | 121.4 | 65% | 0.65 | 64% | 0.635 | S | S | * | * | trans | -49.5 | 125.9 | 165.7 | -93.1 | -72.9 | 143.7 | 0 | 0 | 108.4 | V202 S206 | V202-E204 PolarHBondContact O-N 2.89Å; E204-S206 PolarHBondContact O-N 3.18Å | ||
| 205 | E | 43.1 | Very low | 46.9 | Very low | 145 Ų | 145 | 122.1 Ų | 122.1 | 68% | 0.678 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -63 | -5.4 | -173.3 | -153.2 | 168 | 142.1 | 0 | 0 | 113 | Y203 C207 | Y203-E205 PolarHBondContact O-N 3.35Å; E205-C207 VanDerWaalsContact C-N 3.33Å; E205-C207 PolarHBondContact O-N 3.38Å |
| 206 | S | 44.6 | Very low | 44.6 | Very low | 82 Ų | 82 | 125.3 Ų | 125.3 | 57% | 0.573 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -73 | -10 | -172.6 | 49.4 | 0 | 0 | 0 | 0 | 115.7 | E204 | E204-S206 PolarHBondContact O-N 3.18Š|
| 207 | C | 40.4 | Very low | 42.9 | Very low | 66 Ų | 66 | 128.6 Ų | 128.6 | 45% | 0.446 | 69% | 0.689 | S | S | . | * | G | 310 helix | trans | -89.8 | -14.6 | -179.7 | 79.5 | 0 | 0 | 0 | 0 | 115.1 | Y203 E205 | Y203-C207 HydrophobicContact CE1-CB 3.87Å; Y203-C207 WeakPolarHBondContact CE1-SG 3.44Å; E205-C207 VanDerWaalsContact C-N 3.33Å; E205-C207 PolarHBondContact O-N 3.38Å |
| 208 | L | 44.4 | Very low | 41.9 | Very low | 101 Ų | 101 | 126.2 Ų | 126.2 | 53% | 0.529 | 69% | 0.689 | S | S | . | * | S | Bend | trans | -91.3 | -2.7 | -177.1 | -75.4 | 166.7 | 0 | 0 | 0 | 113.2 | ||
| 209 | F | 42 | Very low | 41.1 | Very low | 173 Ų | 173 | 126 Ų | 126 | 76% | 0.759 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -120.1 | 4.6 | -174.9 | -77.6 | -77.4 | 0 | 0 | 0 | 115.8 | N211 | F209-N211 PolarHBondContact O-N 3.14Š|
| 210 | S | 35 | Very low | 39.8 | Very low | 102 Ų | 102 | 133.9 Ų | 133.9 | 71% | 0.713 | 72% | 0.717 | S | S | * | * | trans | -97.5 | 73.3 | -178.1 | -136.9 | 0 | 0 | 0 | 0 | 112.3 | K212 | S210-K212 VanDerWaalsContact C-N 3.27Å; S210-K212 PolarHBondContact O-N 3.31Å | ||
| 211 | N | 33.7 | Very low | 39.2 | Very low | 157 Ų | 157 | 136.6 Ų | 136.6 | 84% | 0.84 | 72% | 0.72 | S | S | * | * | trans | -83.6 | 74.9 | 161 | -161.3 | 1.7 | 0 | 0 | 0 | 108.5 | F209 | F209-N211 PolarHBondContact O-N 3.14Š| ||
| 212 | K | 42.4 | Very low | 38.3 | Very low | 188 Ų | 188 | 138.9 Ų | 138.9 | 82% | 0.817 | 73% | 0.728 | S | S | * | * | trans | -142.6 | 112.9 | 162.7 | -70.8 | -165.9 | 178.5 | 175.2 | 0 | 110.2 | S210 T214 | S210-K212 VanDerWaalsContact C-N 3.27Å; S210-K212 PolarHBondContact O-N 3.31Å; K212-T214 PolarHBondContact O-N 3.02Å | ||
| 213 | K | 31.5 | Very low | 37.6 | Very low | 203 Ų | 203 | 139.4 Ų | 139.4 | 88% | 0.883 | 74% | 0.735 | S | S | * | * | trans | -53 | 117 | 163 | -69.6 | 168.6 | 176.5 | 171.7 | 0 | 109.1 | ||||
| 214 | T | 37.6 | Very low | 37 | Very low | 142 Ų | 142 | 142.2 Ų | 142.2 | 87% | 0.871 | 75% | 0.753 | S | S | * | * | trans | -170.1 | 130 | 138 | 38.1 | 0 | 0 | 0 | 0 | 109.1 | K212 | K212-T214 PolarHBondContact O-N 3.02Š| ||
| 215 | H | 30.3 | Very low | 36.8 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 75% | 0.745 | 76% | 0.759 | S | S | * | * | trans | -69.1 | 127.9 | -178.3 | 165.1 | -77.2 | 0 | 0 | 0 | 111.5 | ||||
| 216 | D | 36.9 | Very low | 36.5 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | trans | -162.3 | 127.2 | 149.8 | -87.5 | -34.2 | 0 | 0 | 0 | 111.6 | A218 | D216-A218 PolarHBondContact O-N 3.12Š| ||
| 217 | P | 33.2 | Very low | 36.3 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | trans | -97.3 | 81.9 | -177.1 | 36.6 | -30.1 | 0 | 0 | 0 | 111 | ||||
| 218 | A | 36 | Very low | 36.1 | Very low | 87 Ų | 87 | 148.4 Ų | 148.4 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | trans | -155.5 | 57.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | D216 | D216-A218 PolarHBondContact O-N 3.12Š| ||
| 219 | T | 38.4 | Very low | 36 | Very low | 144 Ų | 144 | 149 Ų | 149 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -154.3 | 84.2 | 158.4 | -46.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 220 | Y | 29.6 | Very low | 35.8 | Very low | 224 Ų | 224 | 146.2 Ų | 146.2 | 88% | 0.878 | 80% | 0.804 | S | S | * | * | trans | -117.8 | 79.7 | 163.5 | 176.7 | -95.7 | 0 | 0 | 0 | 107.6 | ||||
| 221 | V | 37.8 | Very low | 36.2 | Very low | 120 Ų | 120 | 146.3 Ų | 146.3 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -154.5 | 125.1 | 167.5 | -168.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 222 | Q | 32.1 | Very low | 36.5 | Very low | 164 Ų | 164 | 147.9 Ų | 147.9 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | trans | 66.8 | 110.4 | 147.4 | -138 | 94.5 | -39.7 | 0 | 0 | 120.6 | ||||
| 223 | C | 32.5 | Very low | 36.3 | Very low | 132 Ų | 132 | 149 Ų | 149 | 89% | 0.892 | 81% | 0.805 | S | S | * | * | trans | -161.2 | 88.6 | 133.2 | -98.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 224 | Q | 35.1 | Very low | 36.3 | Very low | 190 Ų | 190 | 146.4 Ų | 146.4 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -145 | 71.1 | 163.9 | -66.1 | -160.6 | 13.7 | 0 | 0 | 109.3 | ||||
| 225 | V | 35.1 | Very low | 36.2 | Very low | 128 Ų | 128 | 149.2 Ų | 149.2 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -152.6 | 135.6 | 163.2 | -177 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 226 | S | 37.2 | Very low | 36.4 | Very low | 97 Ų | 97 | 146.2 Ų | 146.2 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | trans | 78.1 | 137.6 | 164.6 | 79.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 227 | K | 40.3 | Very low | 36.5 | Very low | 191 Ų | 191 | 145.6 Ų | 145.6 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | cis | -161.2 | 140.1 | 2.5 | -100.1 | 143.9 | -174.8 | 177 | 0 | 105.3 | ||||
| 228 | V | 37.2 | Very low | 36.9 | Very low | 146 Ų | 146 | 147.2 Ų | 147.2 | 89% | 0.885 | 80% | 0.802 | S | S | * | * | trans | -130.1 | 121.3 | 155.7 | -89.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 229 | P | 42.2 | Very low | 37.2 | Very low | 113 Ų | 113 | 149 Ų | 149 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | -95.6 | 110.3 | 156.6 | 14.1 | 4.5 | 0 | 0 | 0 | 108.9 | ||||
| 230 | S | 37.4 | Very low | 37.1 | Very low | 115 Ų | 115 | 148.4 Ų | 148.4 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -68.5 | 126.7 | 163.1 | 48.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 231 | T | 43.5 | Very low | 37.8 | Very low | 104 Ų | 104 | 142 Ų | 142 | 64% | 0.638 | 79% | 0.791 | S | S | * | * | trans | -158.5 | 133.9 | 169.6 | 28.2 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 232 | F | 40.5 | Very low | 38.1 | Very low | 190 Ų | 190 | 145.3 Ų | 145.3 | 83% | 0.833 | 80% | 0.798 | S | S | * | * | cis | -153.4 | 144.7 | -0.5 | -91.7 | -81.3 | 0 | 0 | 0 | 106.2 | ||||
| 233 | F | 38.9 | Very low | 39.1 | Very low | 211 Ų | 211 | 145.7 Ų | 145.7 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | trans | -101.5 | 139.2 | 155.4 | -94.7 | -80.4 | 0 | 0 | 0 | 108.7 | ||||
| 234 | N | 31.1 | Very low | 39.8 | Very low | 149 Ų | 149 | 143.6 Ų | 143.6 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -48.6 | 145.5 | -179.4 | -82.7 | -44.1 | 0 | 0 | 0 | 115.7 | ||||
| 235 | F | 34.3 | Very low | 40.3 | Very low | 201 Ų | 201 | 141.7 Ų | 141.7 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | -146.1 | 130.5 | 128.9 | -155.2 | -99.3 | 0 | 0 | 0 | 110.4 | |||||
| 236 | S | 34.8 | Very low | 40.4 | Very low | 99 Ų | 99 | 143.6 Ų | 143.6 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | -71.9 | 136.6 | -178.4 | -54.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 237 | T | 40.3 | Very low | 40.8 | Very low | 137 Ų | 137 | 145.5 Ų | 145.5 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | -107.7 | 127.8 | 168.3 | -51.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 238 | I | 40.4 | Very low | 41.2 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -62.3 | 146.8 | 177.4 | -60.5 | 161.8 | 0 | 0 | 0 | 110.7 | ||||
| 239 | P | 43.3 | Very low | 41.5 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | -126.5 | 132.5 | 141.7 | 33 | -20 | 0 | 0 | 0 | 112.7 | ||||
| 240 | T | 36.4 | Very low | 41.5 | Very low | 133 Ų | 133 | 141.8 Ų | 141.8 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | trans | -62.6 | 134.5 | 169 | -57.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 241 | S | 44 | Very low | 41.7 | Very low | 90 Ų | 90 | 140 Ų | 140 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | trans | 168.8 | 135.6 | 131.1 | -173.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 242 | Q | 42.8 | Very low | 41.4 | Very low | 188 Ų | 188 | 141.4 Ų | 141.4 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | trans | 87 | 127.6 | 151.6 | -82.3 | 157.4 | -36.7 | 0 | 0 | 121.9 | ||||
| 243 | M | 53.5 | Low | 41.6 | Very low | 173 Ų | 173 | 139.2 Ų | 139.2 | 85% | 0.852 | 79% | 0.793 | S | S | * | * | trans | -91.7 | -169.8 | -175 | -72.3 | -92 | -72.6 | 0 | 0 | 111.8 | ||||
| 244 | P | 47 | Very low | 41.8 | Very low | 88 Ų | 88 | 133.4 Ų | 133.4 | 57% | 0.571 | 78% | 0.784 | S | S | * | * | -134.5 | -166 | -58.9 | 40.1 | -22.7 | 0 | 0 | 0 | 112 | |||||
| 245 | N | 45.9 | Very low | 42.1 | Very low | 150 Ų | 150 | 134.2 Ų | 134.2 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | 98.9 | 137.2 | 169 | -59 | -11.6 | 0 | 0 | 0 | 114.3 | ||||
| 246 | E | 38 | Very low | 42.7 | Very low | 167 Ų | 167 | 130 Ų | 130 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | cis | -158.1 | 146.8 | 16.8 | -115.4 | -160 | 99.3 | 0 | 0 | 109.9 | ||||
| 247 | L | 45.6 | Very low | 43.1 | Very low | 137 Ų | 137 | 132.1 Ų | 132.1 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | trans | 34.1 | 120.1 | 140.6 | -73.1 | 142.2 | 0 | 0 | 0 | 124.5 | ||||
| 248 | S | 48.7 | Very low | 43 | Very low | 104 Ų | 104 | 134 Ų | 134 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | 86.3 | 135 | 128.3 | -57.1 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 249 | P | 42.3 | Very low | 42.9 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | trans | -113.1 | 178.2 | 177.3 | 40.3 | -28.8 | 0 | 0 | 0 | 115.1 | ||||
| 250 | V | 42 | Very low | 42.8 | Very low | 147 Ų | 147 | 136.7 Ų | 136.7 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | trans | 121.5 | 123.7 | 156.8 | 178.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 251 | G | 43 | Very low | 42.7 | Very low | 78 Ų | 78 | 139.4 Ų | 139.4 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 170.6 | 90.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 252 | T | 36.4 | Very low | 42.3 | Very low | 134 Ų | 134 | 144.1 Ų | 144.1 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -82.7 | 133.8 | 174.8 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 253 | V | 45.4 | Very low | 42.1 | Very low | 143 Ų | 143 | 143.2 Ų | 143.2 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -153.7 | 120.8 | 149.8 | -172.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 254 | A | 41.7 | Very low | 41.7 | Very low | 89 Ų | 89 | 140.3 Ų | 140.3 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | 49.2 | 131.9 | 140.5 | 0 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 255 | M | 37.5 | Very low | 41.5 | Very low | 167 Ų | 167 | 141.6 Ų | 141.6 | 82% | 0.823 | 80% | 0.797 | S | S | * | * | trans | -70.1 | 179 | 159.2 | -72 | -92.3 | 73.9 | 0 | 0 | 112 | ||||
| 256 | P | 48.3 | Very low | 41.8 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | cis | -157.3 | 177.6 | 36.8 | 43 | -18.7 | 0 | 0 | 0 | 121.2 | ||||
| 257 | N | 42.7 | Very low | 42.3 | Very low | 144 Ų | 144 | 145.8 Ų | 145.8 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | 50.8 | 125.2 | 145.1 | -95 | 3.3 | 0 | 0 | 0 | 122.2 | ||||
| 258 | E | 37.4 | Very low | 42.4 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | -178.2 | 136.6 | 90.9 | -120.4 | 179.5 | 121.5 | 0 | 0 | 113.9 | |||||
| 259 | N | 38.9 | Very low | 43 | Very low | 131 Ų | 131 | 144.1 Ų | 144.1 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | -11.6 | 136.1 | 164.6 | -62.3 | -35 | 0 | 0 | 0 | 121.5 | ||||
| 260 | Q | 41.7 | Very low | 43.7 | Very low | 199 Ų | 199 | 145.7 Ų | 145.7 | 93% | 0.93 | 79% | 0.789 | S | S | * | * | -175.2 | 133.1 | 114.7 | -95.3 | 165.3 | 43.6 | 0 | 0 | 112.1 | |||||
| 261 | Q | 34.9 | Very low | 44.1 | Very low | 189 Ų | 189 | 145.7 Ų | 145.7 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -78 | 143.3 | -176.8 | -68.1 | 160.4 | -70.8 | 0 | 0 | 113 | ||||
| 262 | M | 35.6 | Very low | 44 | Very low | 189 Ų | 189 | 144.7 Ų | 144.7 | 93% | 0.931 | 77% | 0.772 | S | S | * | * | trans | -167.3 | 121.5 | 143.7 | -106.7 | -176.3 | -74.7 | 0 | 0 | 112.2 | ||||
| 263 | E | 37.2 | Very low | 44.2 | Very low | 170 Ų | 170 | 144.9 Ų | 144.9 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | 25.2 | 134.7 | 160.3 | -78.5 | -69.5 | 118.9 | 0 | 0 | 123.1 | T265 | E263-T265 PolarHBondContact O-N 2.54Š| ||
| 264 | P | 45.8 | Very low | 44.1 | Very low | 111 Ų | 111 | 145.3 Ų | 145.3 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | trans | -77.3 | 123.5 | 176.5 | 32.8 | -30.8 | 0 | 0 | 0 | 111.5 | F266 | P264-F266 PolarHBondContact O-N 2.86Š| ||
| 265 | T | 43.4 | Very low | 43.9 | Very low | 116 Ų | 116 | 148 Ų | 148 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | trans | -66 | 117.4 | 171.5 | 36.9 | 0 | 0 | 0 | 0 | 111.2 | E263 R267 | E263-T265 PolarHBondContact O-N 2.54Å; T265-R267 PolarHBondContact O-N 2.79Å; T265-R267 VanDerWaalsContact O-N 3.13Å | ||
| 266 | F | 52.4 | Low | 44.1 | Very low | 190 Ų | 190 | 147 Ų | 147 | 83% | 0.833 | 77% | 0.774 | S | S | * | * | trans | -60.5 | 108.8 | 169.5 | 177 | -96.4 | 0 | 0 | 0 | 109.7 | P264 D268 | P264-F266 PolarHBondContact O-N 2.86Å; F266-D268 HydrophobicContact CE1-CB 4.42Å | ||
| 267 | R | 48.5 | Very low | 43.6 | Very low | 215 Ų | 215 | 149.6 Ų | 149.6 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -93.8 | 110.7 | 175.5 | -66.8 | -147 | -178.1 | -122.1 | 4.5 | 110.1 | T265 P269 | T265-R267 PolarHBondContact O-N 2.79Å; T265-R267 VanDerWaalsContact O-N 3.13Å; R267-P269 WeakPolarHBondContact O-CD 3.47Å | ||
| 268 | D | 46.3 | Very low | 43.4 | Very low | 80 Ų | 80 | 150 Ų | 150 | 43% | 0.428 | 78% | 0.779 | S | S | . | * | trans | -71.6 | 120.3 | 167 | -168.6 | -23.7 | 0 | 0 | 0 | 109.2 | F266 M270 | F266-D268 HydrophobicContact CE1-CB 4.42Å; D268-M270 PolarHBondContact O-N 3.26Å; D268-M270 VanDerWaalsContact O-N 3.1Å; D268-M270 PolarHBondContact OD1-N 3.24Å | ||
| 269 | P | 62.9 | Low | 43.6 | Very low | 126 Ų | 126 | 149.3 Ų | 149.3 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 6.1 | -176.7 | 28.4 | -33.7 | 0 | 0 | 0 | 114.7 | R267 | R267-P269 WeakPolarHBondContact O-CD 3.47Š|
| 270 | M | 55.7 | Low | 43.5 | Very low | 153 Ų | 153 | 148 Ų | 148 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -0.5 | -179.2 | -85.5 | -73.6 | -74.5 | 0 | 0 | 115.8 | D268 G272 | D268-M270 PolarHBondContact O-N 3.26Å; D268-M270 VanDerWaalsContact O-N 3.1Å; D268-M270 PolarHBondContact OD1-N 3.24Å; M270-G272 PolarHBondContact O-N 3.29Å |
| 271 | I | 50.3 | Low | 43.2 | Very low | 148 Ų | 148 | 148.1 Ų | 148.1 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | -90.1 | 85.1 | 173.2 | -56.5 | 179.1 | 0 | 0 | 0 | 108.4 | V273 | I271-V273 PolarHBondContact O-N 3.25Š| ||
| 272 | G | 40.7 | Very low | 43.7 | Very low | 56 Ų | 56 | 147 Ų | 147 | 58% | 0.577 | 77% | 0.769 | S | S | * | * | trans | -58.9 | 132.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | M270 L274 | M270-G272 PolarHBondContact O-N 3.29Å; G272-L274 PolarHBondContact O-N 3.05Å | ||
| 273 | V | 42.3 | Very low | 43.7 | Very low | 138 Ų | 138 | 147.3 Ų | 147.3 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | trans | -58.7 | 96.4 | 180 | -154.6 | 0 | 0 | 0 | 0 | 108.5 | I271 | I271-V273 PolarHBondContact O-N 3.25Š| ||
| 274 | L | 41.8 | Very low | 43.7 | Very low | 152 Ų | 152 | 147.4 Ų | 147.4 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | trans | -100.4 | 113.8 | 164.9 | -73.9 | 172.5 | 0 | 0 | 0 | 106 | G272 V276 | G272-L274 PolarHBondContact O-N 3.05Å; L274-V276 WeakPolarHBondContact O-CG2 3.46Å; L274-V276 PolarHBondContact O-N 3.06Å; L274-V276 VanDerWaalsContact O-N 3.13Å | ||
| 275 | N | 38.2 | Very low | 43.5 | Very low | 147 Ų | 147 | 145.6 Ų | 145.6 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | trans | -49.2 | 116.8 | 173.2 | -88 | -6.3 | 0 | 0 | 0 | 109.5 | E277 | N275-E277 VanDerWaalsContact C-N 3.26Å; N275-E277 PolarHBondContact O-N 3.37Å | ||
| 276 | V | 42.3 | Very low | 43.5 | Very low | 144 Ų | 144 | 149.6 Ų | 149.6 | 87% | 0.873 | 77% | 0.768 | S | S | * | * | trans | -90.6 | 66.1 | 173.7 | -175.1 | 0 | 0 | 0 | 0 | 107.3 | L274 | L274-V276 WeakPolarHBondContact O-CG2 3.46Å; L274-V276 PolarHBondContact O-N 3.06Å; L274-V276 VanDerWaalsContact O-N 3.13Å | ||
| 277 | E | 37.1 | Very low | 42.8 | Very low | 167 Ų | 167 | 148.4 Ų | 148.4 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | trans | -146.2 | 70.5 | 171.9 | -72.1 | -172.4 | 157.1 | 0 | 0 | 108.1 | N275 | N275-E277 VanDerWaalsContact C-N 3.26Å; N275-E277 PolarHBondContact O-N 3.37Å | ||
| 278 | D | 37.7 | Very low | 42.7 | Very low | 152 Ų | 152 | 146.7 Ų | 146.7 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | 169 | 95.3 | 150.8 | -94.5 | -24.9 | 0 | 0 | 0 | 108.7 | ||||
| 279 | H | 42 | Very low | 42.6 | Very low | 163 Ų | 163 | 152.5 Ų | 152.5 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | 176.4 | 91.3 | 137.9 | -98.2 | -69.6 | 0 | 0 | 0 | 108.9 | Y281 | H279-Y281 AromaticContact ND1-CD2 3.81Å; H279-Y281 AromaticContact ND1-CE2 3.94Å; H279-Y281 PolarHBondContact O-N 3.48Å; H279-Y281 VanDerWaalsContact O-N 3.09Å | ||
| 280 | A | 36.9 | Very low | 42 | Very low | 104 Ų | 104 | 153.2 Ų | 153.2 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -61.1 | 104 | 156.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 281 | Y | 35.9 | Very low | 41.3 | Very low | 201 Ų | 201 | 152.6 Ų | 152.6 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | trans | -127.5 | 104.7 | 164.8 | -106.4 | -88.9 | 0 | 0 | 0 | 111 | H279 | H279-Y281 AromaticContact ND1-CD2 3.81Å; H279-Y281 AromaticContact ND1-CE2 3.94Å; H279-Y281 PolarHBondContact O-N 3.48Å; H279-Y281 VanDerWaalsContact O-N 3.09Å | ||
| 282 | K | 44.7 | Very low | 40.9 | Very low | 166 Ų | 166 | 148.9 Ų | 148.9 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | -1 | 115.9 | 160.1 | -67 | 178.1 | 176.5 | -179.1 | 0 | 116.4 | F284 | K282-F284 HydrophobicContact CB-CD2 4.01Å; K282-F284 HydrophobicContact CB-CE2 4.21Å; K282-F284 HydrophobicContact CD-CE2 4Å; K282-F284 PolarHBondContact O-N 3.32Å | ||
| 283 | Q | 35 | Very low | 41.1 | Very low | 194 Ų | 194 | 153.3 Ų | 153.3 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | trans | -41.8 | 100 | 144.6 | -73.1 | -89.6 | -9.8 | 0 | 0 | 109.8 | ||||
| 284 | F | 37.9 | Very low | 41.1 | Very low | 173 Ų | 173 | 154.4 Ų | 154.4 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | -106.9 | 113.8 | 157.7 | -95.6 | -78.7 | 0 | 0 | 0 | 107.8 | K282 | K282-F284 HydrophobicContact CB-CD2 4.01Å; K282-F284 HydrophobicContact CB-CE2 4.21Å; K282-F284 HydrophobicContact CD-CE2 4Å; K282-F284 PolarHBondContact O-N 3.32Å | ||
| 285 | A | 42.2 | Very low | 41.2 | Very low | 72 Ų | 72 | 152.1 Ų | 152.1 | 60% | 0.595 | 79% | 0.788 | S | S | * | * | trans | -62.7 | 136 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q287 | A285-Q287 PolarHBondContact O-N 2.92Š| ||
| 286 | K | 42.4 | Very low | 41.5 | Very low | 200 Ų | 200 | 152.4 Ų | 152.4 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 26.3 | -179 | -146.1 | 178.1 | -177.1 | -173.7 | 0 | 113.3 | ||
| 287 | Q | 39 | Very low | 42 | Very low | 166 Ų | 166 | 152.1 Ų | 152.1 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.7 | -3.3 | -166.5 | -122.4 | 155.4 | 1.9 | 0 | 0 | 115.3 | A285 | A285-Q287 PolarHBondContact O-N 2.92Š|
| 288 | E | 46.2 | Very low | 42.3 | Very low | 178 Ų | 178 | 156.6 Ų | 156.6 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -99.8 | 0.7 | 174.4 | -68.7 | -164 | 152.7 | 0 | 0 | 114.5 | ||
| 289 | F | 43.9 | Very low | 42.5 | Very low | 203 Ų | 203 | 156.9 Ų | 156.9 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -90.4 | -2.2 | -179.2 | -154.2 | -99.9 | 0 | 0 | 0 | 114.5 | ||
| 290 | I | 51.1 | Low | 42.5 | Very low | 140 Ų | 140 | 156.5 Ų | 156.5 | 72% | 0.718 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -117.7 | -12.3 | -171.9 | -60 | 179.9 | 0 | 0 | 0 | 114 | ||
| 291 | N | 40.2 | Very low | 42.8 | Very low | 140 Ų | 140 | 159.4 Ų | 159.4 | 75% | 0.749 | 81% | 0.807 | S | S | * | * | trans | -124.9 | 39.4 | -171 | -67.6 | -9.6 | 0 | 0 | 0 | 115.3 | ||||
| 292 | G | 42.2 | Very low | 43.2 | Very low | 71 Ų | 71 | 157 Ų | 157 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | -113.4 | 82.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 293 | N | 44.2 | Very low | 43.2 | Very low | 149 Ų | 149 | 156.4 Ų | 156.4 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | 66.8 | 85.3 | 147.2 | -60.6 | -13.1 | 0 | 0 | 0 | 120.1 | ||||
| 294 | I | 43 | Very low | 43.7 | Very low | 160 Ų | 160 | 153.9 Ų | 153.9 | 82% | 0.821 | 81% | 0.807 | S | S | * | * | trans | -74.5 | 115.2 | 138.3 | -69.4 | 164.5 | 0 | 0 | 0 | 106.7 | I296 | I294-I296 HydrophobicContact CG2-CG1 4.37Š| ||
| 295 | S | 44 | Very low | 44.1 | Very low | 105 Ų | 105 | 152.6 Ų | 152.6 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | trans | -129.7 | 114.7 | 160 | -76.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 296 | I | 43.6 | Very low | 44.3 | Very low | 153 Ų | 153 | 158.8 Ų | 158.8 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | trans | -73.1 | 127.9 | 172.1 | -65 | 165.5 | 0 | 0 | 0 | 106.8 | I294 | I294-I296 HydrophobicContact CG2-CG1 4.37Š| ||
| 297 | V | 53.8 | Low | 44.4 | Very low | 137 Ų | 137 | 155.3 Ų | 155.3 | 83% | 0.83 | 82% | 0.824 | S | S | * | * | trans | -96.9 | 132.7 | 161.5 | -178.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 298 | Q | 41.8 | Very low | 44.9 | Very low | 262 Ų | 262 | 154.4 Ų | 154.4 | 100% | 1.224 | 83% | 0.828 | S | S | * | * | trans | -52.7 | 0 | 174.4 | -73.9 | 171.8 | -86.5 | 0 | 0 | 113.5 |
Retrieved 298 of 298 residues in 781.1 ms
(Link to these results)