| 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 | 36.8 | Very low | 36.4 | Very low | 239 Ų | 239 | 156.2 Ų | 156.2 | 100% | 1.177 | 88% | 0.876 | S | S | * | * | 0 | 114.1 | 0 | -49.1 | -177.8 | 94 | 0 | 0 | 105.1 | |||||
| 2 | S | 34.3 | Very low | 36.3 | Very low | 109 Ų | 109 | 157 Ų | 157 | 76% | 0.762 | 88% | 0.875 | S | S | * | * | cis | -156.5 | 129.8 | 7.5 | -65.3 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 3 | A | 34.3 | Very low | 36.3 | Very low | 103 Ų | 103 | 156.5 Ų | 156.5 | 85% | 0.851 | 87% | 0.868 | S | S | * | * | 52.9 | 106.3 | 96.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 4 | Q | 35.5 | Very low | 36.3 | Very low | 198 Ų | 198 | 156.1 Ų | 156.1 | 93% | 0.925 | 86% | 0.861 | S | S | * | * | trans | -121.1 | 145.2 | 156.4 | -93.3 | -177.1 | -18 | 0 | 0 | 108.7 | ||||
| 5 | S | 41.2 | Very low | 36.4 | Very low | 115 Ų | 115 | 151.3 Ų | 151.3 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | trans | -77.8 | 154 | -163.4 | -36.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 6 | V | 36.6 | Very low | 36.6 | Very low | 142 Ų | 142 | 147.3 Ų | 147.3 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | trans | -148 | 116.7 | 149 | -130.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 7 | E | 37.5 | Very low | 37.1 | Very low | 191 Ų | 191 | 144.8 Ų | 144.8 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -99.2 | 132.3 | 164 | -75.7 | -178.9 | 145.6 | 0 | 0 | 107.6 | ||||
| 8 | E | 38.2 | Very low | 37.3 | Very low | 189 Ų | 189 | 143.3 Ų | 143.3 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -96.1 | 114.7 | 176.6 | -68.9 | 178.5 | 130.6 | 0 | 0 | 109.1 | ||||
| 9 | D | 35.8 | Very low | 37.8 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | -91.6 | 125.9 | 168.8 | -86.8 | -32.8 | 0 | 0 | 0 | 110.6 | I11 | D9-I11 PolarHBondContact O-N 3.43Š| ||
| 10 | S | 34.5 | Very low | 38.4 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | -74.7 | 114.3 | 175.6 | -65.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 11 | I | 36.4 | Very low | 38.7 | Very low | 153 Ų | 153 | 135.4 Ų | 135.4 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | trans | -76.9 | 122.1 | 179.6 | -64.5 | 169.6 | 0 | 0 | 0 | 110.2 | D9 I13 | D9-I11 PolarHBondContact O-N 3.43Å; I11-I13 PolarHBondContact O-N 3.2Å | ||
| 12 | L | 34.1 | Very low | 38.8 | Very low | 166 Ų | 166 | 130 Ų | 130 | 87% | 0.869 | 72% | 0.716 | S | S | * | * | trans | -69.1 | 114.5 | 162.9 | -83.5 | 160.4 | 0 | 0 | 0 | 109.3 | ||||
| 13 | I | 37.3 | Very low | 39 | Very low | 151 Ų | 151 | 130.9 Ų | 130.9 | 77% | 0.774 | 71% | 0.711 | S | S | * | * | trans | -85.7 | 113.2 | 175.1 | -58.8 | 174.7 | 0 | 0 | 0 | 108.3 | I11 | I11-I13 PolarHBondContact O-N 3.2Š| ||
| 14 | I | 35.4 | Very low | 39.2 | Very low | 150 Ų | 150 | 130.9 Ų | 130.9 | 77% | 0.769 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 126.4 | 170.1 | -57.6 | 174.1 | 0 | 0 | 0 | 108 | ||
| 15 | P | 38.8 | Very low | 39.2 | Very low | 84 Ų | 84 | 130 Ų | 130 | 55% | 0.545 | 69% | 0.685 | S | S | . | * | P | Polyproline II helix | trans | -71 | 148.9 | 179.3 | -5.9 | 20.7 | 0 | 0 | 0 | 111.6 | ||
| 16 | T | 39.1 | Very low | 38.8 | Very low | 87 Ų | 87 | 130.6 Ų | 130.6 | 53% | 0.534 | 68% | 0.683 | S | S | . | * | P | Polyproline II helix | trans | -79.6 | 155.7 | 177.4 | 52.6 | 0 | 0 | 0 | 0 | 112 | D18 E19 | T16-D18 PolarHBondContact O-N 3.44Å; T16-D18 VanDerWaalsContact O-N 3.11Å; T16-E19 PolarHBondContact O-N 3.1Å |
| 17 | P | 45.2 | Very low | 38.8 | Very low | 105 Ų | 105 | 133 Ų | 133 | 68% | 0.682 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -56.1 | -30.3 | -175.7 | -26.4 | 34.5 | 0 | 0 | 0 | 115.2 | E19 E20 E21 | P17-E19 VanDerWaalsContact C-N 3.32Å; P17-E19 PolarHBondContact O-N 3.42Å; P17-E20 PolarHBondContact O-N 3.26Å; P17-E21 PolarHBondContact O-N 3.32Å |
| 18 | D | 41.2 | Very low | 38.8 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 63% | 0.631 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -70 | -26.5 | 178.3 | -76.5 | -21.4 | 0 | 0 | 0 | 113.2 | T16 K22 | T16-D18 PolarHBondContact O-N 3.44Å; T16-D18 VanDerWaalsContact O-N 3.11Å; D18-K22 PolarHBondContact O-N 2.9Å |
| 19 | E | 46.3 | Very low | 38.8 | Very low | 88 Ų | 88 | 130.6 Ų | 130.6 | 41% | 0.411 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -81.1 | -29 | 177.4 | -69.5 | -67.4 | 126.5 | 0 | 0 | 111.3 | T16 P17 K22 I23 | T16-E19 PolarHBondContact O-N 3.1Å; P17-E19 VanDerWaalsContact C-N 3.32Å; P17-E19 PolarHBondContact O-N 3.42Å; E19-K22 PolarHBondContact O-N 3.16Å; E19-K22 IonicContact OE1-NZ 2.8Å; E19-K22 PolarHBondContact OE1-NZ 3.39Å; E19-I23 WeakPolarHBondContact O-CD1 3.48Å; E19-I23 VanDerWaalsContact O-CG1 3.28Å; E19-I23 WeakPolarHBondContact O-CG1 3.33Å; E19-I23 PolarHBondContact O-N 2.96Å; E19-I23 VanDerWaalsContact O-N 3.17Å |
| 20 | E | 50.1 | Low | 38.9 | Very low | 77 Ų | 77 | 131.5 Ų | 131.5 | 36% | 0.36 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -68.1 | -35.7 | 170.6 | -67.1 | -161.8 | 152.8 | 0 | 0 | 112.7 | P17 K22 I23 L24 R54 | P17-E20 PolarHBondContact O-N 3.26Å; E20-K22 VanDerWaalsContact C-N 3.34Å; E20-I23 PolarHBondContact O-N 3.35Å; E20-L24 PolarHBondContact O-N 3.09Å; E20-R54 IonicContact OE2-NH2 3.41Å |
| 21 | E | 44.8 | Very low | 38.7 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 47% | 0.467 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -69.6 | -32.5 | 176.9 | -143.7 | -160.5 | 138.7 | 0 | 0 | 111.8 | P17 R25 | P17-E21 PolarHBondContact O-N 3.32Å; E21-R25 PolarHBondContact O-N 3.47Å; E21-R25 IonicContact OE1-CZ 3.24Å; E21-R25 IonicContact OE1-NE 3.43Å; E21-R25 PolarHBondContact OE1-NE 3.27Å; E21-R25 IonicContact OE1-NH2 2.63Å; E21-R25 PolarHBondContact OE1-NH2 3.32Å |
| 22 | K | 38.3 | Very low | 39.2 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 54% | 0.539 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -68.7 | -40.3 | 172.4 | -85.3 | 178.9 | -170.6 | 160.6 | 0 | 113.2 | D18 E19 E20 L24 R25 V26 | D18-K22 PolarHBondContact O-N 2.9Å; E19-K22 PolarHBondContact O-N 3.16Å; E19-K22 IonicContact OE1-NZ 2.8Å; E19-K22 PolarHBondContact OE1-NZ 3.39Å; E20-K22 VanDerWaalsContact C-N 3.34Å; K22-L24 PolarHBondContact O-N 2.92Å; K22-R25 PolarHBondContact O-N 3.42Å; K22-V26 WeakPolarHBondContact O-CG2 3.41Å; K22-V26 PolarHBondContact O-N 3.42Å |
| 23 | I | 39.4 | Very low | 39.1 | Very low | 129 Ų | 129 | 130.6 Ų | 130.6 | 66% | 0.662 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -62.3 | -32.7 | 179.3 | -67.9 | 163.5 | 0 | 0 | 0 | 111.1 | E19 E20 | E19-I23 WeakPolarHBondContact O-CD1 3.48Å; E19-I23 VanDerWaalsContact O-CG1 3.28Å; E19-I23 WeakPolarHBondContact O-CG1 3.33Å; E19-I23 PolarHBondContact O-N 2.96Å; E19-I23 VanDerWaalsContact O-N 3.17Å; E20-I23 PolarHBondContact O-N 3.35Å |
| 24 | L | 37.1 | Very low | 39.6 | Very low | 102 Ų | 102 | 127.1 Ų | 127.1 | 53% | 0.534 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -79.6 | -31.4 | 176 | -90.2 | 149 | 0 | 0 | 0 | 113.9 | E20 K22 | E20-L24 PolarHBondContact O-N 3.09Å; K22-L24 PolarHBondContact O-N 2.92Å |
| 25 | R | 35.6 | Very low | 39.4 | Very low | 181 Ų | 181 | 129.5 Ų | 129.5 | 68% | 0.683 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -74.5 | -21.6 | 178 | -77.5 | -174.1 | -169.2 | -137.4 | 6.7 | 114.5 | E21 K22 K27 | E21-R25 PolarHBondContact O-N 3.47Å; E21-R25 IonicContact OE1-CZ 3.24Å; E21-R25 IonicContact OE1-NE 3.43Å; E21-R25 PolarHBondContact OE1-NE 3.27Å; E21-R25 IonicContact OE1-NH2 2.63Å; E21-R25 PolarHBondContact OE1-NH2 3.32Å; K22-R25 PolarHBondContact O-N 3.42Å; R25-K27 PolarHBondContact O-N 3.38Å |
| 26 | V | 32.7 | Very low | 39.5 | Very low | 127 Ų | 127 | 135 Ų | 135 | 77% | 0.77 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -2.8 | 179.9 | 173.3 | 0 | 0 | 0 | 0 | 113.1 | K22 | K22-V26 WeakPolarHBondContact O-CG2 3.41Å; K22-V26 PolarHBondContact O-N 3.42Å |
| 27 | K | 37.3 | Very low | 39.6 | Very low | 191 Ų | 191 | 134.6 Ų | 134.6 | 83% | 0.83 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.7 | 21.7 | -175.1 | -130.6 | 164.5 | -172.7 | 170.4 | 0 | 115.9 | R25 | R25-K27 PolarHBondContact O-N 3.38Š|
| 28 | L | 36.8 | Very low | 38.9 | Very low | 153 Ų | 153 | 135 Ų | 135 | 80% | 0.801 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -122.1 | 9.4 | -179.4 | -81 | 175.4 | 0 | 0 | 0 | 115.8 | ||
| 29 | E | 39 | Very low | 38.7 | Very low | 178 Ų | 178 | 134.2 Ų | 134.2 | 83% | 0.832 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -125.7 | 132 | 168.9 | -69.8 | -164.4 | 160.1 | 0 | 0 | 112.3 | ||
| 30 | E | 37.8 | Very low | 38.2 | Very low | 175 Ų | 175 | 137 Ų | 137 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | trans | 81.5 | 94.6 | 171.5 | -47.9 | -167.6 | 156.1 | 0 | 0 | 117.2 | ||||
| 31 | D | 29.5 | Very low | 37.3 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | -155.7 | 143.7 | 89.4 | -92.5 | -39.7 | 0 | 0 | 0 | 112.8 | |||||
| 32 | P | 47.3 | Very low | 37.4 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 66% | 0.656 | 76% | 0.763 | S | S | * | * | trans | -87.8 | 130.3 | 173.4 | 34.6 | -27.9 | 0 | 0 | 0 | 110.1 | ||||
| 33 | D | 32.7 | Very low | 37.3 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | trans | 134.6 | 123.3 | 155.7 | -68.9 | -31.2 | 0 | 0 | 0 | 110.9 | ||||
| 34 | G | 46.6 | Very low | 37.9 | Very low | 78 Ų | 78 | 146.2 Ų | 146.2 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -68.8 | 134 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 35 | E | 32.1 | Very low | 38.4 | Very low | 199 Ų | 199 | 144.9 Ų | 144.9 | 93% | 0.93 | 77% | 0.774 | S | S | * | * | trans | -142.4 | 141.7 | 140.4 | -82.7 | -152.8 | 154 | 0 | 0 | 110.6 | ||||
| 36 | E | 41 | Very low | 39.5 | Very low | 200 Ų | 200 | 138.9 Ų | 138.9 | 94% | 0.935 | 76% | 0.758 | S | S | * | * | trans | -76.5 | 129.2 | -177.2 | -150.6 | 172.5 | -165.7 | 0 | 0 | 109.5 | ||||
| 37 | G | 41.8 | Very low | 41.2 | Very low | 78 Ų | 78 | 137.4 Ų | 137.4 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | 90.7 | 95.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 38 | S | 29 | Very low | 42.6 | Very low | 115 Ų | 115 | 131 Ų | 131 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | -142 | 115.1 | 155.5 | -171.9 | 0 | 0 | 0 | 0 | 109.9 | I40 | S38-I40 PolarHBondContact O-N 2.99Š| ||
| 39 | S | 38.6 | Very low | 44.3 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 71% | 0.706 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 119.6 | 168.3 | -74.3 | 0 | 0 | 0 | 0 | 108.5 | ||
| 40 | I | 35.4 | Very low | 46 | Very low | 146 Ų | 146 | 118.9 Ų | 118.9 | 75% | 0.749 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 128.7 | 169.3 | -59.3 | 179.2 | 0 | 0 | 0 | 107.8 | S38 W42 | S38-I40 PolarHBondContact O-N 2.99Å; I40-W42 PolarHBondContact O-N 3.2Å |
| 41 | P | 31.1 | Very low | 48 | Very low | 107 Ų | 107 | 111.3 Ų | 111.3 | 70% | 0.695 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 128.7 | 179.9 | -23.4 | 33 | 0 | 0 | 0 | 112.6 | N43 | P41-N43 PolarHBondContact O-N 3.25Š|
| 42 | W | 46.7 | Very low | 50.4 | Low | 199 Ų | 199 | 104.4 Ų | 104.4 | 75% | 0.754 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 16.5 | -168.5 | -66.4 | 98.1 | 0 | 0 | 0 | 117.3 | I40 L45 | I40-W42 PolarHBondContact O-N 3.2Å; W42-L45 HydrophobicContact CE3-CD1 3.48Å; W42-L45 VanDerWaalsContact CE3-CD1 3.48Å; W42-L45 HydrophobicContact CZ3-CD1 3.74Å |
| 43 | N | 36.7 | Very low | 51.6 | Low | 137 Ų | 137 | 104.2 Ų | 104.2 | 73% | 0.733 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 4 | -167.8 | -74.5 | -2.3 | 0 | 0 | 0 | 115.6 | P41 | P41-N43 PolarHBondContact O-N 3.25Š|
| 44 | H | 50.4 | Low | 53.7 | Low | 181 Ų | 181 | 100.9 Ų | 100.9 | 84% | 0.838 | 56% | 0.556 | S | S | * | * | trans | -142.6 | 28.9 | -179 | -64.1 | -64.9 | 0 | 0 | 0 | 114.4 | ||||
| 45 | L | 49.5 | Very low | 55.5 | Low | 74 Ų | 74 | 100.1 Ų | 100.1 | 39% | 0.387 | 53% | 0.531 | S | S | . | . | trans | -67 | 131.2 | 173.4 | -98.9 | 123.7 | 0 | 0 | 0 | 110 | W42 F51 L79 | W42-L45 HydrophobicContact CE3-CD1 3.48Å; W42-L45 VanDerWaalsContact CE3-CD1 3.48Å; W42-L45 HydrophobicContact CZ3-CD1 3.74Å; L45-F51 HydrophobicContact CD2-CE2 4.43Å; L45-L79 HydrophobicContact CD2-CD2 4.3Å | ||
| 46 | P | 58.3 | Low | 57.6 | Low | 55 Ų | 55 | 94.4 Ų | 94.4 | 36% | 0.357 | 50% | 0.501 | S | S | . | . | trans | -55.2 | 152.2 | 174 | -19.6 | 28.1 | 0 | 0 | 0 | 111.5 | I50 F51 R82 | P46-I50 HydrophobicContact CB-CB 4.18Å; P46-I50 HydrophobicContact CB-CD1 3.76Å; P46-I50 HydrophobicContact CB-CG2 4.24Å; P46-F51 HydrophobicContact CB-CE2 3.77Å; P46-F51 HydrophobicContact CB-CZ 4.16Å; P46-F51 HydrophobicContact CG-CE2 3.89Å; P46-F51 HydrophobicContact CG-CZ 3.8Å; P46-R82 PolarHBondContact O-NH2 3.42Å | ||
| 47 | D | 67.6 | Low | 59.2 | Low | 96 Ų | 96 | 91.2 Ų | 91.2 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | trans | -45.5 | 132.5 | 171.8 | -169.1 | -40.2 | 0 | 0 | 0 | 110.5 | E49 I50 | D47-E49 PolarHBondContact O-N 3.31Å; D47-E49 PolarHBondContact OD1-N 3.07Å; D47-I50 HydrophobicContact CB-CD1 4.04Å; D47-I50 HydrophobicContact CB-CG1 4.19Å; D47-I50 WeakPolarHBondContact O-CB 3.4Å; D47-I50 PolarHBondContact O-N 3Å | ||
| 48 | P | 67.8 | Low | 61 | Low | 55 Ų | 55 | 90 Ų | 90 | 36% | 0.357 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -43.5 | -32.3 | 170.6 | -29.4 | 34.6 | 0 | 0 | 0 | 114.6 | I50 F51 R52 | P48-I50 VanDerWaalsContact C-N 3.34Å; P48-I50 PolarHBondContact O-N 3.4Å; P48-F51 PolarHBondContact O-N 3.47Å; P48-R52 PolarHBondContact O-N 3.15Å; P48-R52 VanDerWaalsContact O-N 3.09Å |
| 49 | E | 70.9 | Confident | 63.1 | Low | 30 Ų | 30 | 85.8 Ų | 85.8 | 14% | 0.14 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -67.5 | -31.2 | 178.2 | -168.4 | 59.4 | -149.1 | 0 | 0 | 112.9 | D47 F51 R52 Q53 R56 | D47-E49 PolarHBondContact O-N 3.31Å; D47-E49 PolarHBondContact OD1-N 3.07Å; E49-F51 VanDerWaalsContact C-N 3.34Å; E49-F51 PolarHBondContact O-N 3.12Å; E49-R52 WeakPolarHBondContact O-CB 3.26Å; E49-R52 PolarHBondContact O-N 2.99Å; E49-R52 WeakPolarHBondContact OE2-CD 3.5Å; E49-R52 IonicContact OE2-NH1 3.77Å; E49-R52 PolarHBondContact OE2-NH1 3.38Å; E49-Q53 WeakPolarHBondContact O-CB 3.33Å; E49-Q53 PolarHBondContact O-N 3.5Å; E49-R56 IonicContact OE1-CZ 3.41Å; E49-R56 IonicContact OE1-NH1 2.69Å; E49-R56 PolarHBondContact OE1-NH1 3.19Å; E49-R56 IonicContact OE1-NH2 3.22Å; E49-R56 PolarHBondContact OE1-NH2 3.13Å |
| 50 | I | 76.2 | Confident | 64.4 | Low | 47 Ų | 47 | 88.3 Ų | 88.3 | 24% | 0.241 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 176.4 | -66.5 | 167.8 | 0 | 0 | 0 | 110.4 | P46 D47 P48 Q53 R54 | P46-I50 HydrophobicContact CB-CB 4.18Å; P46-I50 HydrophobicContact CB-CD1 3.76Å; P46-I50 HydrophobicContact CB-CG2 4.24Å; D47-I50 HydrophobicContact CB-CD1 4.04Å; D47-I50 HydrophobicContact CB-CG1 4.19Å; D47-I50 WeakPolarHBondContact O-CB 3.4Å; D47-I50 PolarHBondContact O-N 3Å; P48-I50 VanDerWaalsContact C-N 3.34Å; P48-I50 PolarHBondContact O-N 3.4Å; I50-Q53 PolarHBondContact O-N 2.96Å; I50-R54 WeakPolarHBondContact O-CG 3.36Å; I50-R54 PolarHBondContact O-N 3.27Å |
| 51 | F | 79.9 | Confident | 65.8 | Low | 16 Ų | 16 | 90.2 Ų | 90.2 | 7% | 0.07 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -70.1 | -36.8 | 176.9 | -68.3 | -71.8 | 0 | 0 | 0 | 112.1 | L45 P46 P48 E49 R54 F55 L76 L79 W80 | L45-F51 HydrophobicContact CD2-CE2 4.43Å; P46-F51 HydrophobicContact CB-CE2 3.77Å; P46-F51 HydrophobicContact CB-CZ 4.16Å; P46-F51 HydrophobicContact CG-CE2 3.89Å; P46-F51 HydrophobicContact CG-CZ 3.8Å; P48-F51 PolarHBondContact O-N 3.47Å; E49-F51 VanDerWaalsContact C-N 3.34Å; E49-F51 PolarHBondContact O-N 3.12Å; F51-R54 PolarHBondContact O-N 3.2Å; F51-F55 WeakPolarHBondContact O-CB 3.38Å; F51-F55 PolarHBondContact O-N 2.82Å; F51-L76 HydrophobicContact CD1-CD2 4.49Å; F51-L79 HydrophobicContact CB-CB 4.46Å; F51-L79 HydrophobicContact CD1-CB 3.7Å; F51-L79 HydrophobicContact CD1-CD1 3.89Å; F51-L79 HydrophobicContact CD1-CG 4.43Å; F51-L79 HydrophobicContact CD2-CB 4.27Å; F51-L79 HydrophobicContact CE1-CB 3.95Å; F51-L79 HydrophobicContact CE1-CD1 3.44Å; F51-L79 VanDerWaalsContact CE1-CD1 3.44Å; F51-L79 HydrophobicContact CE1-CG 4.24Å; F51-L79 HydrophobicContact CE2-CB 4.46Å; F51-L79 HydrophobicContact CG-CB 3.88Å; F51-L79 HydrophobicContact CZ-CB 4.3Å; F51-L79 HydrophobicContact CZ-CD1 4.04Å; F51-W80 HydrophobicContact CB-CB 4.21Å |
| 52 | R | 78.9 | Confident | 67.5 | Low | 11 Ų | 11 | 90 Ų | 90 | 4% | 0.042 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 173.9 | -161 | 176.9 | -153.1 | 179.9 | 1.7 | 111.3 | P48 E49 F55 R56 W80 L94 L97 E98 P117 | P48-R52 PolarHBondContact O-N 3.15Å; P48-R52 VanDerWaalsContact O-N 3.09Å; E49-R52 WeakPolarHBondContact O-CB 3.26Å; E49-R52 PolarHBondContact O-N 2.99Å; E49-R52 WeakPolarHBondContact OE2-CD 3.5Å; E49-R52 IonicContact OE2-NH1 3.77Å; E49-R52 PolarHBondContact OE2-NH1 3.38Å; R52-F55 WeakPolarHBondContact O-CB 3.31Å; R52-F55 PolarHBondContact O-N 2.96Å; R52-R56 VanDerWaalsContact CD-NH2 3.32Å; R52-R56 WeakPolarHBondContact O-CG 3.46Å; R52-R56 PolarHBondContact O-N 3.09Å; R52-W80 HydrophobicContact CB-CG 4.42Å; R52-L94 PolarHBondContact NH2-O 3.46Å; R52-L97 VanDerWaalsContact NH2-CG 3.29Å; R52-E98 WeakPolarHBondContact CD-OE1 2.95Å; R52-E98 WeakPolarHBondContact CG-OE1 3.13Å; R52-E98 IonicContact CZ-OE1 3.49Å; R52-E98 VanDerWaalsContact CZ-OE1 3.24Å; R52-E98 IonicContact NE-OE1 2.78Å; R52-E98 PolarHBondContact NE-OE1 3.06Å; R52-E98 IonicContact NH2-OE1 3.65Å; R52-E98 PolarHBondContact NH2-OE1 3.23Å; R52-P117 PolarHBondContact NH1-O 3.31Å |
| 53 | Q | 73.6 | Confident | 68.7 | Low | 97 Ų | 97 | 81.4 Ų | 81.4 | 45% | 0.453 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 175.9 | -171 | 179.6 | 19.3 | 0 | 0 | 111.8 | E49 I50 F55 R56 Q57 | E49-Q53 WeakPolarHBondContact O-CB 3.33Å; E49-Q53 PolarHBondContact O-N 3.5Å; I50-Q53 PolarHBondContact O-N 2.96Å; Q53-F55 VanDerWaalsContact C-N 3.34Å; Q53-F55 PolarHBondContact O-N 2.83Å; Q53-R56 PolarHBondContact O-N 3.08Å; Q53-Q57 WeakPolarHBondContact O-CG 3.41Å; Q53-Q57 PolarHBondContact O-N 3.43Å; Q53-Q57 VanDerWaalsContact O-N 3.13Å |
| 54 | R | 76.8 | Confident | 70.3 | Confident | 96 Ų | 96 | 80.7 Ų | 80.7 | 36% | 0.362 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.6 | -37.7 | 174.7 | -75.1 | -176.7 | 179.2 | -173.1 | 1 | 112.8 | E20 I50 F51 R56 Q57 F58 L76 | E20-R54 IonicContact OE2-NH2 3.41Å; I50-R54 WeakPolarHBondContact O-CG 3.36Å; I50-R54 PolarHBondContact O-N 3.27Å; F51-R54 PolarHBondContact O-N 3.2Å; R54-R56 VanDerWaalsContact C-N 3.35Å; R54-R56 PolarHBondContact O-N 2.77Å; R54-Q57 PolarHBondContact O-N 3.05Å; R54-F58 PolarHBondContact O-N 3.46Å; R54-L76 HydrophobicContact CB-CD2 4.06Å |
| 55 | F | 82.6 | Confident | 71.7 | Confident | 62 Ų | 62 | 73 Ų | 73 | 27% | 0.272 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 174.3 | 178.7 | -94.2 | 0 | 0 | 0 | 111.7 | F51 R52 Q53 Q57 F58 L73 L76 C77 | F51-F55 WeakPolarHBondContact O-CB 3.38Å; F51-F55 PolarHBondContact O-N 2.82Å; R52-F55 WeakPolarHBondContact O-CB 3.31Å; R52-F55 PolarHBondContact O-N 2.96Å; Q53-F55 VanDerWaalsContact C-N 3.34Å; Q53-F55 PolarHBondContact O-N 2.83Å; F55-Q57 VanDerWaalsContact C-N 3.27Å; F55-Q57 PolarHBondContact O-N 2.88Å; F55-F58 WeakPolarHBondContact O-CB 3.4Å; F55-F58 PolarHBondContact O-N 3.23Å; F55-L73 HydrophobicContact CD2-CD1 3.95Å; F55-L73 HydrophobicContact CE2-CD1 3.51Å; F55-L73 HydrophobicContact CE2-CG 4.44Å; F55-L73 HydrophobicContact CZ-CD1 4.47Å; F55-L76 HydrophobicContact CD2-CB 4.39Å; F55-C77 WeakPolarHBondContact CE2-SG 3.34Å |
| 56 | R | 76.6 | Confident | 73.1 | Confident | 79 Ų | 79 | 73.4 Ų | 73.4 | 30% | 0.298 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.6 | -32.1 | 176.6 | -65.9 | 172.4 | -167.5 | 141.8 | -5.6 | 112.9 | E49 R52 Q53 R54 E98 | E49-R56 IonicContact OE1-CZ 3.41Å; E49-R56 IonicContact OE1-NH1 2.69Å; E49-R56 PolarHBondContact OE1-NH1 3.19Å; E49-R56 IonicContact OE1-NH2 3.22Å; E49-R56 PolarHBondContact OE1-NH2 3.13Å; R52-R56 VanDerWaalsContact CD-NH2 3.32Å; R52-R56 WeakPolarHBondContact O-CG 3.46Å; R52-R56 PolarHBondContact O-N 3.09Å; Q53-R56 PolarHBondContact O-N 3.08Å; R54-R56 VanDerWaalsContact C-N 3.35Å; R54-R56 PolarHBondContact O-N 2.77Å; R56-E98 IonicContact CZ-OE1 3.55Å; R56-E98 IonicContact CZ-OE2 2.66Å; R56-E98 IonicContact NE-OE1 3.88Å; R56-E98 PolarHBondContact NE-OE1 3.11Å; R56-E98 IonicContact NE-OE2 2.96Å; R56-E98 PolarHBondContact NE-OE2 3.38Å; R56-E98 IonicContact NH2-OE1 3.63Å; R56-E98 PolarHBondContact NH2-OE1 3.08Å; R56-E98 IonicContact NH2-OE2 3.35Å |
| 57 | Q | 74 | Confident | 74.1 | Confident | 134 Ų | 134 | 81.2 Ų | 81.2 | 63% | 0.626 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -91.3 | -6.2 | -178 | -66.9 | 175.2 | 9.7 | 0 | 0 | 113.6 | Q53 R54 F55 G59 | Q53-Q57 WeakPolarHBondContact O-CG 3.41Å; Q53-Q57 PolarHBondContact O-N 3.43Å; Q53-Q57 VanDerWaalsContact O-N 3.13Å; R54-Q57 PolarHBondContact O-N 3.05Å; F55-Q57 VanDerWaalsContact C-N 3.27Å; F55-Q57 PolarHBondContact O-N 2.88Å; Q57-G59 PolarHBondContact O-N 3.22Å; Q57-G59 VanDerWaalsContact O-N 3.11Å |
| 58 | F | 80.3 | Confident | 74.8 | Confident | 53 Ų | 53 | 81 Ų | 81 | 23% | 0.232 | 40% | 0.395 | C | S | . | . | trans | -63.3 | 111.9 | -175.4 | -177.9 | -99.6 | 0 | 0 | 0 | 112 | R54 F55 A69 Q72 L73 L76 | R54-F58 PolarHBondContact O-N 3.46Å; F55-F58 WeakPolarHBondContact O-CB 3.4Å; F55-F58 PolarHBondContact O-N 3.23Å; F58-A69 HydrophobicContact CZ-CB 4.36Å; F58-Q72 HydrophobicContact CE2-CB 3.91Å; F58-Q72 HydrophobicContact CZ-CB 4.24Å; F58-L73 HydrophobicContact CD1-CD1 3.93Å; F58-L73 HydrophobicContact CE1-CB 4.28Å; F58-L73 HydrophobicContact CE1-CD1 4.16Å; F58-L76 HydrophobicContact CB-CD1 4.24Å; F58-L76 HydrophobicContact CD2-CD1 3.71Å; F58-L76 HydrophobicContact CE2-CD1 4.37Å; F58-L76 HydrophobicContact CG-CD1 4.13Å | ||
| 59 | G | 72.8 | Confident | 75.5 | Confident | 26 Ų | 26 | 78.7 Ų | 78.7 | 27% | 0.268 | 38% | 0.38 | S | S | . | . | trans | -101.5 | 146.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q57 Q61 D62 | Q57-G59 PolarHBondContact O-N 3.22Å; Q57-G59 VanDerWaalsContact O-N 3.11Å; G59-Q61 PolarHBondContact O-N 3.45Å; G59-Q61 VanDerWaalsContact O-N 3.14Å; G59-D62 VanDerWaalsContact CA-OD2 3.32Å; G59-D62 WeakPolarHBondContact CA-OD2 3.26Å; G59-D62 PolarHBondContact N-OD2 3.32Å; G59-D62 WeakPolarHBondContact O-CB 3.35Å; G59-D62 PolarHBondContact O-N 2.82Å | ||
| 60 | Y | 67.5 | Low | 76 | Confident | 153 Ų | 153 | 81.8 Ų | 81.8 | 60% | 0.6 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -61 | -25.2 | 175.5 | -173.2 | -95.4 | 0 | 0 | 0 | 112.9 | D62 S63 P66 A69 | Y60-D62 PolarHBondContact O-N 3.41Å; Y60-S63 PolarHBondContact O-OG 3.28Å; Y60-P66 WeakPolarHBondContact OH-CB 3.48Å; Y60-A69 HydrophobicContact CD2-CB 4.26Å; Y60-A69 HydrophobicContact CE2-CB 4.19Å |
| 61 | Q | 64.6 | Low | 76.4 | Confident | 187 Ų | 187 | 82.7 Ų | 82.7 | 87% | 0.874 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -69.3 | -17.3 | 177.5 | -64.9 | 179.9 | 1.9 | 0 | 0 | 113.1 | G59 S63 | G59-Q61 PolarHBondContact O-N 3.45Å; G59-Q61 VanDerWaalsContact O-N 3.14Å; Q61-S63 PolarHBondContact O-N 2.76Å |
| 62 | D | 65.9 | Low | 76.5 | Confident | 103 Ų | 103 | 84.9 Ų | 84.9 | 55% | 0.551 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -79.9 | 2.3 | -178.4 | -54 | -36.6 | 0 | 0 | 0 | 112.8 | G59 Y60 | G59-D62 VanDerWaalsContact CA-OD2 3.32Å; G59-D62 WeakPolarHBondContact CA-OD2 3.26Å; G59-D62 PolarHBondContact N-OD2 3.32Å; G59-D62 WeakPolarHBondContact O-CB 3.35Å; G59-D62 PolarHBondContact O-N 2.82Å; Y60-D62 PolarHBondContact O-N 3.41Å |
| 63 | S | 71.6 | Confident | 76.8 | Confident | 18 Ų | 18 | 87.6 Ų | 87.6 | 13% | 0.126 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -119.7 | 141.6 | -175 | 75.2 | 0 | 0 | 0 | 0 | 113 | Y60 Q61 G65 A69 | Y60-S63 PolarHBondContact O-OG 3.28Å; Q61-S63 PolarHBondContact O-N 2.76Å; S63-G65 PolarHBondContact O-N 3.33Å; S63-G65 PolarHBondContact OG-O 3.43Å; S63-A69 WeakPolarHBondContact OG-CB 3.33Å |
| 64 | P | 71.8 | Confident | 77.4 | Confident | 122 Ų | 122 | 92.3 Ų | 92.3 | 79% | 0.792 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -68.3 | -0.3 | 173.9 | -1.7 | 8.9 | 0 | 0 | 0 | 114.3 | E68 | P64-E68 HydrophobicContact CG-CB 4.41Å; P64-E68 HydrophobicContact CG-CG 4.08Å |
| 65 | G | 79.6 | Confident | 77.7 | Confident | 19 Ų | 19 | 92 Ų | 92 | 20% | 0.196 | 45% | 0.453 | C | S | . | . | S | Bend | trans | 161.5 | 170.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S63 R67 E68 A69 | S63-G65 PolarHBondContact O-N 3.33Å; S63-G65 PolarHBondContact OG-O 3.43Å; G65-R67 VanDerWaalsContact C-N 3.28Å; G65-R67 PolarHBondContact O-N 3.23Å; G65-E68 PolarHBondContact O-N 2.9Å; G65-A69 PolarHBondContact O-N 3.44Å |
| 66 | P | 77.1 | Confident | 77.8 | Confident | 83 Ų | 83 | 90.3 Ų | 90.3 | 54% | 0.539 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.3 | -29 | -170 | 21.7 | -32.7 | 0 | 0 | 0 | 114.4 | Y60 V70 | Y60-P66 WeakPolarHBondContact OH-CB 3.48Å; P66-V70 VanDerWaalsContact O-CG2 3.27Å; P66-V70 WeakPolarHBondContact O-CG2 3.44Å; P66-V70 PolarHBondContact O-N 3.43Å |
| 67 | R | 81.1 | Confident | 78.2 | Confident | 218 Ų | 218 | 88.3 Ų | 88.3 | 82% | 0.823 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -71.9 | -40.7 | 176.3 | -73.9 | -171.9 | 176.1 | -157.3 | 1 | 111.4 | G65 V70 S71 | G65-R67 VanDerWaalsContact C-N 3.28Å; G65-R67 PolarHBondContact O-N 3.23Å; R67-V70 PolarHBondContact O-N 3.15Å; R67-S71 PolarHBondContact O-N 2.77Å; R67-S71 VanDerWaalsContact O-N 3.09Å; R67-S71 PolarHBondContact O-OG 2.87Å |
| 68 | E | 80.6 | Confident | 78.7 | Confident | 92 Ų | 92 | 87.7 Ų | 87.7 | 43% | 0.43 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -71.8 | -39.4 | -179.7 | -157.4 | 59.2 | -153.3 | 0 | 0 | 110.8 | P64 G65 V70 S71 Q72 | P64-E68 HydrophobicContact CG-CB 4.41Å; P64-E68 HydrophobicContact CG-CG 4.08Å; G65-E68 PolarHBondContact O-N 2.9Å; E68-V70 VanDerWaalsContact C-N 3.29Å; E68-V70 PolarHBondContact O-N 3.49Å; E68-S71 PolarHBondContact O-N 3.11Å; E68-S71 VanDerWaalsContact O-N 3.15Å; E68-Q72 WeakPolarHBondContact O-CB 3.18Å; E68-Q72 WeakPolarHBondContact O-CG 3.44Å; E68-Q72 PolarHBondContact O-N 2.9Å |
| 69 | A | 82.3 | Confident | 78.8 | Confident | 6 Ų | 6 | 87.1 Ų | 87.1 | 5% | 0.05 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -54.3 | -45.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F58 Y60 S63 G65 L73 | F58-A69 HydrophobicContact CZ-CB 4.36Å; Y60-A69 HydrophobicContact CD2-CB 4.26Å; Y60-A69 HydrophobicContact CE2-CB 4.19Å; S63-A69 WeakPolarHBondContact OG-CB 3.33Å; G65-A69 PolarHBondContact O-N 3.44Å; A69-L73 VanDerWaalsContact O-CB 3.27Å; A69-L73 WeakPolarHBondContact O-CB 3.35Å; A69-L73 PolarHBondContact O-N 2.96Å |
| 70 | V | 83.2 | Confident | 79.4 | Confident | 96 Ų | 96 | 86.6 Ų | 86.6 | 58% | 0.582 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -69.9 | -37.6 | 179.9 | 172 | 0 | 0 | 0 | 0 | 111.4 | P66 R67 E68 R74 | P66-V70 VanDerWaalsContact O-CG2 3.27Å; P66-V70 WeakPolarHBondContact O-CG2 3.44Å; P66-V70 PolarHBondContact O-N 3.43Å; R67-V70 PolarHBondContact O-N 3.15Å; E68-V70 VanDerWaalsContact C-N 3.29Å; E68-V70 PolarHBondContact O-N 3.49Å; V70-R74 WeakPolarHBondContact O-CB 3.2Å; V70-R74 PolarHBondContact O-N 3.31Å |
| 71 | S | 84.1 | Confident | 80.1 | Confident | 66 Ų | 66 | 80.6 Ų | 80.6 | 46% | 0.462 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 174.8 | -64.6 | 0 | 0 | 0 | 0 | 111.6 | R67 E68 R74 E75 | R67-S71 PolarHBondContact O-N 2.77Å; R67-S71 VanDerWaalsContact O-N 3.09Å; R67-S71 PolarHBondContact O-OG 2.87Å; E68-S71 PolarHBondContact O-N 3.11Å; E68-S71 VanDerWaalsContact O-N 3.15Å; S71-R74 PolarHBondContact O-N 2.86Å; S71-E75 PolarHBondContact O-N 3.33Å |
| 72 | Q | 82.5 | Confident | 80.9 | Confident | 61 Ų | 61 | 74.7 Ų | 74.7 | 29% | 0.285 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 177.4 | -70.9 | 174.5 | -2.4 | 0 | 0 | 111.7 | F58 E68 R74 E75 L76 | F58-Q72 HydrophobicContact CE2-CB 3.91Å; F58-Q72 HydrophobicContact CZ-CB 4.24Å; E68-Q72 WeakPolarHBondContact O-CB 3.18Å; E68-Q72 WeakPolarHBondContact O-CG 3.44Å; E68-Q72 PolarHBondContact O-N 2.9Å; Q72-R74 VanDerWaalsContact C-N 3.3Å; Q72-R74 PolarHBondContact O-N 3.43Å; Q72-E75 PolarHBondContact O-N 3.41Å; Q72-E75 VanDerWaalsContact O-N 3.14Å; Q72-L76 WeakPolarHBondContact O-CG 3.34Å; Q72-L76 PolarHBondContact O-N 3.4Å |
| 73 | L | 84.6 | Confident | 81.5 | Confident | 68 Ų | 68 | 73 Ų | 73 | 36% | 0.356 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 176.2 | -172 | 70.8 | 0 | 0 | 0 | 111.4 | F55 F58 A69 E75 L76 C77 | F55-L73 HydrophobicContact CD2-CD1 3.95Å; F55-L73 HydrophobicContact CE2-CD1 3.51Å; F55-L73 HydrophobicContact CE2-CG 4.44Å; F55-L73 HydrophobicContact CZ-CD1 4.47Å; F58-L73 HydrophobicContact CD1-CD1 3.93Å; F58-L73 HydrophobicContact CE1-CB 4.28Å; F58-L73 HydrophobicContact CE1-CD1 4.16Å; A69-L73 VanDerWaalsContact O-CB 3.27Å; A69-L73 WeakPolarHBondContact O-CB 3.35Å; A69-L73 PolarHBondContact O-N 2.96Å; L73-E75 VanDerWaalsContact C-N 3.29Å; L73-E75 PolarHBondContact O-N 2.76Å; L73-L76 PolarHBondContact O-N 3.28Å; L73-C77 WeakPolarHBondContact O-CB 3.37Å; L73-C77 PolarHBondContact O-N 3.43Å; L73-C77 PolarHBondContact O-SG 3.19Å |
| 74 | R | 85 | Confident | 81.8 | Confident | 197 Ų | 197 | 77.6 Ų | 77.6 | 74% | 0.743 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.6 | -39.1 | 176.6 | -178 | 176.5 | 178.8 | -128.4 | -2.8 | 111.5 | V70 S71 Q72 R78 | V70-R74 WeakPolarHBondContact O-CB 3.2Å; V70-R74 PolarHBondContact O-N 3.31Å; S71-R74 PolarHBondContact O-N 2.86Å; Q72-R74 VanDerWaalsContact C-N 3.3Å; Q72-R74 PolarHBondContact O-N 3.43Å; R74-R78 WeakPolarHBondContact O-CB 3.38Å; R74-R78 PolarHBondContact O-N 3.04Å |
| 75 | E | 85 | Confident | 81.8 | Confident | 89 Ų | 89 | 76.5 Ų | 76.5 | 42% | 0.416 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -70.5 | -44.7 | 178.1 | -168.4 | 57.2 | -155.6 | 0 | 0 | 111.8 | S71 Q72 L73 C77 R78 L79 | S71-E75 PolarHBondContact O-N 3.33Å; Q72-E75 PolarHBondContact O-N 3.41Å; Q72-E75 VanDerWaalsContact O-N 3.14Å; L73-E75 VanDerWaalsContact C-N 3.29Å; L73-E75 PolarHBondContact O-N 2.76Å; E75-C77 VanDerWaalsContact C-N 3.34Å; E75-C77 PolarHBondContact O-N 3.12Å; E75-R78 WeakPolarHBondContact O-CB 3.37Å; E75-R78 PolarHBondContact O-N 3.45Å; E75-R78 VanDerWaalsContact O-N 3.12Å; E75-L79 HydrophobicContact CG-CD1 3.91Å; E75-L79 HydrophobicContact CG-CG 4.41Å; E75-L79 WeakPolarHBondContact O-CB 3.42Å; E75-L79 VanDerWaalsContact O-CG 3.3Å; E75-L79 WeakPolarHBondContact O-CG 3.35Å; E75-L79 PolarHBondContact O-N 2.91Å |
| 76 | L | 84.3 | Confident | 81.9 | Confident | 26 Ų | 26 | 78.5 Ų | 78.5 | 14% | 0.136 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.7 | -46.2 | 173.7 | -71.4 | 172.3 | 0 | 0 | 0 | 111.5 | F51 R54 F55 F58 Q72 L73 R78 L79 W80 | F51-L76 HydrophobicContact CD1-CD2 4.49Å; R54-L76 HydrophobicContact CB-CD2 4.06Å; F55-L76 HydrophobicContact CD2-CB 4.39Å; F58-L76 HydrophobicContact CB-CD1 4.24Å; F58-L76 HydrophobicContact CD2-CD1 3.71Å; F58-L76 HydrophobicContact CE2-CD1 4.37Å; F58-L76 HydrophobicContact CG-CD1 4.13Å; Q72-L76 WeakPolarHBondContact O-CG 3.34Å; Q72-L76 PolarHBondContact O-N 3.4Å; L73-L76 PolarHBondContact O-N 3.28Å; L76-R78 VanDerWaalsContact C-N 3.34Å; L76-R78 PolarHBondContact O-N 2.99Å; L76-L79 PolarHBondContact O-N 3.1Å; L76-W80 VanDerWaalsContact O-CB 3.27Å; L76-W80 WeakPolarHBondContact O-CB 3.21Å; L76-W80 PolarHBondContact O-N 2.93Å |
| 77 | C | 84.8 | Confident | 82.3 | Confident | 37 Ų | 37 | 78 Ų | 78 | 25% | 0.25 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 175.2 | -73 | 0 | 0 | 0 | 0 | 112.5 | F55 L73 E75 L81 | F55-C77 WeakPolarHBondContact CE2-SG 3.34Å; L73-C77 WeakPolarHBondContact O-CB 3.37Å; L73-C77 PolarHBondContact O-N 3.43Å; L73-C77 PolarHBondContact O-SG 3.19Å; E75-C77 VanDerWaalsContact C-N 3.34Å; E75-C77 PolarHBondContact O-N 3.12Å; C77-L81 VanDerWaalsContact O-CB 3.26Å; C77-L81 WeakPolarHBondContact O-CB 3.36Å; C77-L81 PolarHBondContact O-N 3.47Å |
| 78 | R | 84.8 | Confident | 82.4 | Confident | 121 Ų | 121 | 75.4 Ų | 75.4 | 46% | 0.457 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 177.6 | 178.7 | -173.5 | 166.8 | 77.6 | 9.1 | 111 | R74 E75 L76 R82 E84 | R74-R78 WeakPolarHBondContact O-CB 3.38Å; R74-R78 PolarHBondContact O-N 3.04Å; E75-R78 WeakPolarHBondContact O-CB 3.37Å; E75-R78 PolarHBondContact O-N 3.45Å; E75-R78 VanDerWaalsContact O-N 3.12Å; L76-R78 VanDerWaalsContact C-N 3.34Å; L76-R78 PolarHBondContact O-N 2.99Å; R78-R82 VanDerWaalsContact O-CA 3.29Å; R78-R82 WeakPolarHBondContact O-CA 3.33Å; R78-R82 PolarHBondContact O-N 3.31Å; R78-E84 IonicContact CZ-OE1 2.74Å; R78-E84 IonicContact NH1-OE1 3.3Å; R78-E84 PolarHBondContact NH1-OE1 2.78Å; R78-E84 IonicContact NH2-OE1 3.47Å; R78-E84 PolarHBondContact NH2-OE1 3.08Å |
| 79 | L | 82.6 | Confident | 82.4 | Confident | 42 Ų | 42 | 77.1 Ų | 77.1 | 22% | 0.22 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -74 | -32.8 | -177.7 | -67.6 | 172.3 | 0 | 0 | 0 | 113.1 | L45 F51 E75 L76 R82 | L45-L79 HydrophobicContact CD2-CD2 4.3Å; F51-L79 HydrophobicContact CB-CB 4.46Å; F51-L79 HydrophobicContact CD1-CB 3.7Å; F51-L79 HydrophobicContact CD1-CD1 3.89Å; F51-L79 HydrophobicContact CD1-CG 4.43Å; F51-L79 HydrophobicContact CD2-CB 4.27Å; F51-L79 HydrophobicContact CE1-CB 3.95Å; F51-L79 HydrophobicContact CE1-CD1 3.44Å; F51-L79 VanDerWaalsContact CE1-CD1 3.44Å; F51-L79 HydrophobicContact CE1-CG 4.24Å; F51-L79 HydrophobicContact CE2-CB 4.46Å; F51-L79 HydrophobicContact CG-CB 3.88Å; F51-L79 HydrophobicContact CZ-CB 4.3Å; F51-L79 HydrophobicContact CZ-CD1 4.04Å; E75-L79 HydrophobicContact CG-CD1 3.91Å; E75-L79 HydrophobicContact CG-CG 4.41Å; E75-L79 WeakPolarHBondContact O-CB 3.42Å; E75-L79 VanDerWaalsContact O-CG 3.3Å; E75-L79 WeakPolarHBondContact O-CG 3.35Å; E75-L79 PolarHBondContact O-N 2.91Å; L76-L79 PolarHBondContact O-N 3.1Å; L79-R82 WeakPolarHBondContact O-CG 3.33Å; L79-R82 PolarHBondContact O-NE 3.04Å |
| 80 | W | 83.9 | Confident | 82.3 | Confident | 14 Ų | 14 | 81.2 Ų | 81.2 | 5% | 0.053 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -76.1 | -57 | 174.5 | 169.5 | 50.2 | 0 | 0 | 0 | 112.2 | F51 R52 L76 R82 L94 V95 E98 | F51-W80 HydrophobicContact CB-CB 4.21Å; R52-W80 HydrophobicContact CB-CG 4.42Å; L76-W80 VanDerWaalsContact O-CB 3.27Å; L76-W80 WeakPolarHBondContact O-CB 3.21Å; L76-W80 PolarHBondContact O-N 2.93Å; W80-R82 VanDerWaalsContact C-N 3.34Å; W80-R82 PolarHBondContact O-N 2.77Å; W80-L94 HydrophobicContact CZ2-CB 4.03Å; W80-L94 WeakPolarHBondContact CZ2-O 3.45Å; W80-V95 HydrophobicContact CH2-CG2 3.96Å; W80-V95 HydrophobicContact CZ3-CG2 4.36Å; W80-E98 HydrophobicContact CH2-CB 4.27Å; W80-E98 HydrophobicContact CH2-CG 3.56Å; W80-E98 HydrophobicContact CZ2-CB 4.44Å; W80-E98 HydrophobicContact CZ2-CG 3.38Å |
| 81 | L | 83.1 | Confident | 82.4 | Confident | 28 Ų | 28 | 78.3 Ų | 78.3 | 15% | 0.147 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -77.2 | -20.7 | -173.9 | -64.6 | 174.3 | 0 | 0 | 0 | 113.4 | C77 H86 I91 L94 V95 | C77-L81 VanDerWaalsContact O-CB 3.26Å; C77-L81 WeakPolarHBondContact O-CB 3.36Å; C77-L81 PolarHBondContact O-N 3.47Å; L81-H86 PolarHBondContact O-ND1 3.24Å; L81-I91 HydrophobicContact CD1-CG2 4.29Å; L81-I91 HydrophobicContact CD2-CG2 4.25Å; L81-L94 HydrophobicContact CD2-CB 4.12Å; L81-L94 HydrophobicContact CD2-CD1 4.46Å; L81-V95 HydrophobicContact CD1-CG2 4.43Å; L81-V95 HydrophobicContact CD2-CG2 3.94Å |
| 82 | R | 81.3 | Confident | 82.3 | Confident | 62 Ų | 62 | 80.3 Ų | 80.3 | 23% | 0.234 | 39% | 0.385 | C | S | . | . | trans | 37.3 | 64.5 | -178.1 | -55.8 | -177.2 | 179.8 | -177.4 | -0.9 | 112 | P46 R78 L79 W80 E84 T85 H86 | P46-R82 PolarHBondContact O-NH2 3.42Å; R78-R82 VanDerWaalsContact O-CA 3.29Å; R78-R82 WeakPolarHBondContact O-CA 3.33Å; R78-R82 PolarHBondContact O-N 3.31Å; L79-R82 WeakPolarHBondContact O-CG 3.33Å; L79-R82 PolarHBondContact O-NE 3.04Å; W80-R82 VanDerWaalsContact C-N 3.34Å; W80-R82 PolarHBondContact O-N 2.77Å; R82-E84 PolarHBondContact O-N 3.29Å; R82-T85 WeakPolarHBondContact CB-OG1 3.33Å; R82-T85 PolarHBondContact O-N 3.12Å; R82-T85 PolarHBondContact O-OG1 3.33Å; R82-T85 VanDerWaalsContact O-OG1 3.07Å; R82-H86 PolarHBondContact O-N 3.41Å; R82-H86 VanDerWaalsContact O-N 3.07Å; R82-H86 PolarHBondContact O-ND1 3.43Å | ||
| 83 | P | 78.1 | Confident | 82.4 | Confident | 68 Ų | 68 | 81.9 Ų | 81.9 | 44% | 0.442 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -12.6 | -174 | 27.5 | -36.2 | 0 | 0 | 0 | 113.6 | I91 | P83-I91 HydrophobicContact CB-CD1 4.02Š|
| 84 | E | 78.5 | Confident | 82.3 | Confident | 114 Ų | 114 | 79.9 Ų | 79.9 | 53% | 0.533 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -23.7 | 172 | -60.9 | 79.5 | -172.4 | 0 | 0 | 113.4 | R78 R82 | R78-E84 IonicContact CZ-OE1 2.74Å; R78-E84 IonicContact NH1-OE1 3.3Å; R78-E84 PolarHBondContact NH1-OE1 2.78Å; R78-E84 IonicContact NH2-OE1 3.47Å; R78-E84 PolarHBondContact NH2-OE1 3.08Å; R82-E84 PolarHBondContact O-N 3.29Å |
| 85 | T | 72.3 | Confident | 82.3 | Confident | 100 Ų | 100 | 73.6 Ų | 73.6 | 61% | 0.613 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | -27.6 | -175.6 | 59.7 | 0 | 0 | 0 | 0 | 113.2 | R82 | R82-T85 WeakPolarHBondContact CB-OG1 3.33Å; R82-T85 PolarHBondContact O-N 3.12Å; R82-T85 PolarHBondContact O-OG1 3.33Å; R82-T85 VanDerWaalsContact O-OG1 3.07Å |
| 86 | H | 80.2 | Confident | 82.2 | Confident | 61 Ų | 61 | 73 Ų | 73 | 28% | 0.282 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -96.2 | 142.7 | -178.8 | -63.1 | 105 | 0 | 0 | 0 | 112.8 | L81 R82 Q90 I91 | L81-H86 PolarHBondContact O-ND1 3.24Å; R82-H86 PolarHBondContact O-N 3.41Å; R82-H86 VanDerWaalsContact O-N 3.07Å; R82-H86 PolarHBondContact O-ND1 3.43Å; H86-Q90 HydrophobicContact CB-CB 4.06Å; H86-I91 HydrophobicContact CB-CD1 4.3Å; H86-I91 HydrophobicContact CB-CG1 3.7Å |
| 87 | T | 86.4 | Confident | 82.1 | Confident | 71 Ų | 71 | 71.9 Ų | 71.9 | 44% | 0.436 | 36% | 0.362 | S | S | . | . | trans | -67.7 | 164.1 | 167.9 | 60.1 | 0 | 0 | 0 | 0 | 111 | E89 Q90 I91 | T87-E89 PolarHBondContact O-N 2.78Å; T87-Q90 PolarHBondContact O-N 3.07Å; T87-Q90 VanDerWaalsContact OG1-CD 3.23Å; T87-Q90 VanDerWaalsContact OG1-CG 3.25Å; T87-Q90 WeakPolarHBondContact OG1-CG 3.33Å; T87-Q90 PolarHBondContact OG1-N 3.03Å; T87-Q90 PolarHBondContact OG1-OE1 2.86Å; T87-I91 VanDerWaalsContact O-CG1 3.32Å; T87-I91 WeakPolarHBondContact O-CG1 3.48Å; T87-I91 PolarHBondContact O-N 2.89Å | ||
| 88 | K | 81.9 | Confident | 82.1 | Confident | 164 Ų | 164 | 71.3 Ų | 71.3 | 71% | 0.713 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.8 | -37 | 179.3 | -70.5 | 180 | -178.6 | 172.9 | 0 | 111.5 | I91 L92 | K88-I91 PolarHBondContact O-N 3.34Å; K88-L92 VanDerWaalsContact O-CG 3.3Å; K88-L92 WeakPolarHBondContact O-CG 3.46Å; K88-L92 PolarHBondContact O-N 3.37Å |
| 89 | E | 82.4 | Confident | 82 | Confident | 128 Ų | 128 | 71.3 Ų | 71.3 | 60% | 0.598 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.6 | -48.5 | 178.7 | -64.4 | 68.7 | -152.1 | 0 | 0 | 110.3 | T87 I91 L92 E93 | T87-E89 PolarHBondContact O-N 2.78Å; E89-I91 VanDerWaalsContact C-N 3.34Å; E89-I91 PolarHBondContact O-N 3.01Å; E89-L92 WeakPolarHBondContact O-CB 3.37Å; E89-L92 PolarHBondContact O-N 2.84Å; E89-L92 VanDerWaalsContact O-N 3.12Å; E89-E93 PolarHBondContact O-N 3.47Å |
| 90 | Q | 79.8 | Confident | 81.8 | Confident | 92 Ų | 92 | 71.7 Ų | 71.7 | 43% | 0.43 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 176.3 | -73 | 165.3 | -36.1 | 0 | 0 | 113 | H86 T87 L92 E93 L94 | H86-Q90 HydrophobicContact CB-CB 4.06Å; T87-Q90 PolarHBondContact O-N 3.07Å; T87-Q90 VanDerWaalsContact OG1-CD 3.23Å; T87-Q90 VanDerWaalsContact OG1-CG 3.25Å; T87-Q90 WeakPolarHBondContact OG1-CG 3.33Å; T87-Q90 PolarHBondContact OG1-N 3.03Å; T87-Q90 PolarHBondContact OG1-OE1 2.86Å; Q90-L92 VanDerWaalsContact C-N 3.31Å; Q90-L92 PolarHBondContact O-N 3.16Å; Q90-E93 PolarHBondContact O-N 3.09Å; Q90-L94 WeakPolarHBondContact O-CG 3.32Å; Q90-L94 PolarHBondContact O-N 3.36Å |
| 91 | I | 84.3 | Confident | 81.5 | Confident | 36 Ų | 36 | 71.5 Ų | 71.5 | 19% | 0.185 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 175.1 | -66.9 | 167 | 0 | 0 | 0 | 110.8 | L81 P83 H86 T87 K88 E89 V95 | L81-I91 HydrophobicContact CD1-CG2 4.29Å; L81-I91 HydrophobicContact CD2-CG2 4.25Å; P83-I91 HydrophobicContact CB-CD1 4.02Å; H86-I91 HydrophobicContact CB-CD1 4.3Å; H86-I91 HydrophobicContact CB-CG1 3.7Å; T87-I91 VanDerWaalsContact O-CG1 3.32Å; T87-I91 WeakPolarHBondContact O-CG1 3.48Å; T87-I91 PolarHBondContact O-N 2.89Å; K88-I91 PolarHBondContact O-N 3.34Å; E89-I91 VanDerWaalsContact C-N 3.34Å; E89-I91 PolarHBondContact O-N 3.01Å; I91-V95 VanDerWaalsContact O-CG2 3.31Å; I91-V95 WeakPolarHBondContact O-CG2 3.47Å; I91-V95 PolarHBondContact O-N 3.01Å |
| 92 | L | 83.3 | Confident | 81.2 | Confident | 108 Ų | 108 | 73.2 Ų | 73.2 | 57% | 0.565 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -65 | -43.7 | 176.4 | -72 | 170.5 | 0 | 0 | 0 | 111.1 | K88 E89 Q90 L94 V95 V96 | K88-L92 VanDerWaalsContact O-CG 3.3Å; K88-L92 WeakPolarHBondContact O-CG 3.46Å; K88-L92 PolarHBondContact O-N 3.37Å; E89-L92 WeakPolarHBondContact O-CB 3.37Å; E89-L92 PolarHBondContact O-N 2.84Å; E89-L92 VanDerWaalsContact O-N 3.12Å; Q90-L92 VanDerWaalsContact C-N 3.31Å; Q90-L92 PolarHBondContact O-N 3.16Å; L92-L94 PolarHBondContact O-N 3.4Å; L92-V95 PolarHBondContact O-N 2.86Å; L92-V96 WeakPolarHBondContact O-CB 3.37Å; L92-V96 WeakPolarHBondContact O-CG2 3.22Å; L92-V96 PolarHBondContact O-N 3.29Å |
| 93 | E | 84.1 | Confident | 80.9 | Confident | 93 Ų | 93 | 76 Ų | 76 | 44% | 0.435 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59 | -44.4 | 176.4 | -71.4 | -57.2 | 144.2 | 0 | 0 | 112.4 | E89 Q90 V95 V96 L97 N119 | E89-E93 PolarHBondContact O-N 3.47Å; Q90-E93 PolarHBondContact O-N 3.09Å; E93-V95 VanDerWaalsContact C-N 3.33Å; E93-V95 PolarHBondContact O-N 2.97Å; E93-V96 PolarHBondContact O-N 3.08Å; E93-L97 VanDerWaalsContact O-CB 3.3Å; E93-L97 WeakPolarHBondContact O-CB 3.3Å; E93-L97 PolarHBondContact O-N 2.75Å; E93-N119 HydrophobicContact CB-CB 4.48Å |
| 94 | L | 83.2 | Confident | 80.7 | Confident | 27 Ų | 27 | 74 Ų | 74 | 14% | 0.141 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 177 | -71.7 | 171.1 | 0 | 0 | 0 | 112.6 | R52 W80 L81 Q90 L92 E98 | R52-L94 PolarHBondContact NH2-O 3.46Å; W80-L94 HydrophobicContact CZ2-CB 4.03Å; W80-L94 WeakPolarHBondContact CZ2-O 3.45Å; L81-L94 HydrophobicContact CD2-CB 4.12Å; L81-L94 HydrophobicContact CD2-CD1 4.46Å; Q90-L94 WeakPolarHBondContact O-CG 3.32Å; Q90-L94 PolarHBondContact O-N 3.36Å; L92-L94 PolarHBondContact O-N 3.4Å; L94-E98 PolarHBondContact O-N 3.05Å; L94-E98 VanDerWaalsContact O-N 3.17Å |
| 95 | V | 83.6 | Confident | 80.4 | Confident | 65 Ų | 65 | 72 Ų | 72 | 39% | 0.394 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -71.4 | -40.8 | 177.4 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | W80 L81 I91 L92 E93 L97 E98 Q99 | W80-V95 HydrophobicContact CH2-CG2 3.96Å; W80-V95 HydrophobicContact CZ3-CG2 4.36Å; L81-V95 HydrophobicContact CD1-CG2 4.43Å; L81-V95 HydrophobicContact CD2-CG2 3.94Å; I91-V95 VanDerWaalsContact O-CG2 3.31Å; I91-V95 WeakPolarHBondContact O-CG2 3.47Å; I91-V95 PolarHBondContact O-N 3.01Å; L92-V95 PolarHBondContact O-N 2.86Å; E93-V95 VanDerWaalsContact C-N 3.33Å; E93-V95 PolarHBondContact O-N 2.97Å; V95-L97 VanDerWaalsContact C-N 3.32Å; V95-E98 PolarHBondContact O-N 3.39Å; V95-Q99 PolarHBondContact O-N 3.03Å |
| 96 | V | 83.1 | Confident | 80.2 | Confident | 77 Ų | 77 | 75 Ų | 75 | 47% | 0.467 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 176.1 | 167.8 | 0 | 0 | 0 | 0 | 110.1 | L92 E93 E98 Q99 F100 | L92-V96 WeakPolarHBondContact O-CB 3.37Å; L92-V96 WeakPolarHBondContact O-CG2 3.22Å; L92-V96 PolarHBondContact O-N 3.29Å; E93-V96 PolarHBondContact O-N 3.08Å; V96-E98 PolarHBondContact O-N 3.46Å; V96-Q99 PolarHBondContact O-N 3.46Å; V96-F100 WeakPolarHBondContact O-CB 3.37Å; V96-F100 PolarHBondContact O-N 3.33Å |
| 97 | L | 83.7 | Confident | 79.6 | Confident | 1 Ų | 1 | 78.3 Ų | 78.3 | 1% | 0.005 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.4 | -44.2 | 175.6 | 174.7 | 56.5 | 0 | 0 | 0 | 112.1 | R52 E93 V95 Q99 F100 V101 P117 A123 | R52-L97 VanDerWaalsContact NH2-CG 3.29Å; E93-L97 VanDerWaalsContact O-CB 3.3Å; E93-L97 WeakPolarHBondContact O-CB 3.3Å; E93-L97 PolarHBondContact O-N 2.75Å; V95-L97 VanDerWaalsContact C-N 3.32Å; L97-Q99 VanDerWaalsContact C-N 3.34Å; L97-Q99 PolarHBondContact O-N 3.41Å; L97-F100 WeakPolarHBondContact O-CB 3.37Å; L97-F100 PolarHBondContact O-N 3.09Å; L97-V101 HydrophobicContact CD1-CG2 4.11Å; L97-V101 WeakPolarHBondContact O-CG2 3.49Å; L97-V101 PolarHBondContact O-N 3.46Å; L97-P117 HydrophobicContact CD1-CB 4.41Å; L97-P117 HydrophobicContact CD1-CG 4.01Å; L97-P117 HydrophobicContact CD2-CB 4.37Å; L97-P117 HydrophobicContact CD2-CG 4.3Å; L97-P117 WeakPolarHBondContact CD2-O 3.35Å; L97-A123 HydrophobicContact CD1-CB 3.49Å; L97-A123 VanDerWaalsContact CD1-CB 3.49Å |
| 98 | E | 82.8 | Confident | 78.8 | Confident | 25 Ų | 25 | 77.6 Ų | 77.6 | 12% | 0.117 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 174.9 | -78.8 | -54.4 | 112 | 0 | 0 | 112.6 | R52 R56 W80 L94 V95 V96 F100 V101 A102 | R52-E98 WeakPolarHBondContact CD-OE1 2.95Å; R52-E98 WeakPolarHBondContact CG-OE1 3.13Å; R52-E98 IonicContact CZ-OE1 3.49Å; R52-E98 VanDerWaalsContact CZ-OE1 3.24Å; R52-E98 IonicContact NE-OE1 2.78Å; R52-E98 PolarHBondContact NE-OE1 3.06Å; R52-E98 IonicContact NH2-OE1 3.65Å; R52-E98 PolarHBondContact NH2-OE1 3.23Å; R56-E98 IonicContact CZ-OE1 3.55Å; R56-E98 IonicContact CZ-OE2 2.66Å; R56-E98 IonicContact NE-OE1 3.88Å; R56-E98 PolarHBondContact NE-OE1 3.11Å; R56-E98 IonicContact NE-OE2 2.96Å; R56-E98 PolarHBondContact NE-OE2 3.38Å; R56-E98 IonicContact NH2-OE1 3.63Å; R56-E98 PolarHBondContact NH2-OE1 3.08Å; R56-E98 IonicContact NH2-OE2 3.35Å; W80-E98 HydrophobicContact CH2-CB 4.27Å; W80-E98 HydrophobicContact CH2-CG 3.56Å; W80-E98 HydrophobicContact CZ2-CB 4.44Å; W80-E98 HydrophobicContact CZ2-CG 3.38Å; L94-E98 PolarHBondContact O-N 3.05Å; L94-E98 VanDerWaalsContact O-N 3.17Å; V95-E98 PolarHBondContact O-N 3.39Å; V96-E98 PolarHBondContact O-N 3.46Å; E98-F100 VanDerWaalsContact C-N 3.27Å; E98-F100 PolarHBondContact O-N 2.92Å; E98-V101 PolarHBondContact O-N 3.44Å; E98-A102 WeakPolarHBondContact O-CB 3.47Å; E98-A102 PolarHBondContact O-N 3.37Å |
| 99 | Q | 82.8 | Confident | 78.4 | Confident | 122 Ų | 122 | 71.7 Ų | 71.7 | 57% | 0.57 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -66.8 | -32.4 | 178.2 | -173.4 | 55.9 | 77 | 0 | 0 | 111.9 | V95 V96 L97 | V95-Q99 PolarHBondContact O-N 3.03Å; V96-Q99 PolarHBondContact O-N 3.46Å; L97-Q99 VanDerWaalsContact C-N 3.34Å; L97-Q99 PolarHBondContact O-N 3.41Å |
| 100 | F | 78.4 | Confident | 77.9 | Confident | 50 Ų | 50 | 69 Ų | 69 | 22% | 0.219 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.9 | -48.2 | 175.1 | -178.8 | -98.2 | 0 | 0 | 0 | 111.7 | V96 L97 E98 A102 I103 L104 A123 V124 L127 | V96-F100 WeakPolarHBondContact O-CB 3.37Å; V96-F100 PolarHBondContact O-N 3.33Å; L97-F100 WeakPolarHBondContact O-CB 3.37Å; L97-F100 PolarHBondContact O-N 3.09Å; E98-F100 VanDerWaalsContact C-N 3.27Å; E98-F100 PolarHBondContact O-N 2.92Å; F100-A102 VanDerWaalsContact C-N 3.26Å; F100-A102 PolarHBondContact O-N 3.41Å; F100-I103 HydrophobicContact CD2-CD1 4.49Å; F100-I103 WeakPolarHBondContact O-CG1 3.49Å; F100-I103 PolarHBondContact O-N 2.93Å; F100-L104 HydrophobicContact CD1-CD1 4.49Å; F100-L104 HydrophobicContact CE1-CD1 4.17Å; F100-L104 HydrophobicContact CZ-CD2 4.47Å; F100-A123 HydrophobicContact CD1-CB 3.9Å; F100-A123 HydrophobicContact CE1-CB 3.84Å; F100-V124 HydrophobicContact CE1-CG2 4.35Å; F100-V124 HydrophobicContact CE2-CG2 4.08Å; F100-V124 HydrophobicContact CZ-CG2 3.7Å; F100-L127 HydrophobicContact CE1-CD1 3.72Å; F100-L127 HydrophobicContact CZ-CD1 3.68Å |
| 101 | V | 78.1 | Confident | 77.6 | Confident | 9 Ų | 9 | 67.2 Ų | 67.2 | 6% | 0.055 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.2 | -37.7 | 176.5 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | L97 E98 I103 L104 Q109 V112 R113 | L97-V101 HydrophobicContact CD1-CG2 4.11Å; L97-V101 WeakPolarHBondContact O-CG2 3.49Å; L97-V101 PolarHBondContact O-N 3.46Å; E98-V101 PolarHBondContact O-N 3.44Å; V101-I103 PolarHBondContact O-N 2.84Å; V101-L104 PolarHBondContact O-N 3.17Å; V101-Q109 HydrophobicContact CG1-CB 4.5Å; V101-Q109 HydrophobicContact CG1-CG 4.48Å; V101-Q109 VanDerWaalsContact O-CG 3.31Å; V101-Q109 WeakPolarHBondContact O-CG 3.32Å; V101-V112 HydrophobicContact CG2-CG1 4Å; V101-R113 HydrophobicContact CG1-CG 4.29Å |
| 102 | A | 77.4 | Confident | 77.2 | Confident | 64 Ų | 64 | 65.6 Ų | 65.6 | 53% | 0.529 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.8 | -23.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | E98 F100 | E98-A102 WeakPolarHBondContact O-CB 3.47Å; E98-A102 PolarHBondContact O-N 3.37Å; F100-A102 VanDerWaalsContact C-N 3.26Å; F100-A102 PolarHBondContact O-N 3.41Å |
| 103 | I | 75.5 | Confident | 76.8 | Confident | 121 Ų | 121 | 64.3 Ų | 64.3 | 62% | 0.621 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -91.6 | -10.7 | -178.9 | 59.2 | 163.4 | 0 | 0 | 0 | 113.7 | F100 V101 | F100-I103 HydrophobicContact CD2-CD1 4.49Å; F100-I103 WeakPolarHBondContact O-CG1 3.49Å; F100-I103 PolarHBondContact O-N 2.93Å; V101-I103 PolarHBondContact O-N 2.84Å |
| 104 | L | 72.2 | Confident | 76.3 | Confident | 25 Ų | 25 | 65.4 Ų | 65.4 | 13% | 0.131 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -73.9 | 152.4 | -179.9 | -63 | 174.2 | 0 | 0 | 0 | 111.8 | F100 V101 L108 Q109 V112 L127 | F100-L104 HydrophobicContact CD1-CD1 4.49Å; F100-L104 HydrophobicContact CE1-CD1 4.17Å; F100-L104 HydrophobicContact CZ-CD2 4.47Å; V101-L104 PolarHBondContact O-N 3.17Å; L104-L108 HydrophobicContact CB-CB 4.29Å; L104-Q109 HydrophobicContact CB-CG 3.81Å; L104-Q109 WeakPolarHBondContact O-CG 3.49Å; L104-Q109 PolarHBondContact O-NE2 3.26Å; L104-V112 HydrophobicContact CD1-CB 4.32Å; L104-V112 HydrophobicContact CD1-CG2 3.78Å; L104-L127 HydrophobicContact CD1-CD1 4.01Å; L104-L127 HydrophobicContact CD2-CD1 3.86Å |
| 105 | P | 73 | Confident | 75.9 | Confident | 73 Ų | 73 | 68.8 Ų | 68.8 | 47% | 0.474 | 35% | 0.353 | S | S | . | . | trans | -55 | 147.1 | 165.6 | -23.5 | 33.2 | 0 | 0 | 0 | 111.8 | E107 L108 Q109 | P105-E107 PolarHBondContact O-N 3.43Å; P105-E107 VanDerWaalsContact O-N 3.08Å; P105-L108 HydrophobicContact CG-CD1 4.32Å; P105-L108 PolarHBondContact O-N 3.11Å; P105-Q109 WeakPolarHBondContact O-CG 3.38Å; P105-Q109 PolarHBondContact O-N 3.13Å | ||
| 106 | K | 67.4 | Low | 75.4 | Confident | 163 Ų | 163 | 70.9 Ų | 70.9 | 71% | 0.709 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -55.3 | -34.9 | -171.7 | -73.2 | -176.6 | 178.5 | 179.4 | 0 | 113.3 | Q109 T110 | K106-Q109 PolarHBondContact O-N 3.22Å; K106-T110 PolarHBondContact O-N 3.4Å; K106-T110 PolarHBondContact O-OG1 2.97Å; K106-T110 VanDerWaalsContact O-OG1 3.11Å |
| 107 | E | 67.4 | Low | 75.1 | Confident | 130 Ų | 130 | 67.6 Ų | 67.6 | 61% | 0.607 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65.6 | -40.7 | 179 | -58.8 | 75 | -164.8 | 0 | 0 | 111.7 | P105 T110 W111 | P105-E107 PolarHBondContact O-N 3.43Å; P105-E107 VanDerWaalsContact O-N 3.08Å; E107-T110 PolarHBondContact O-OG1 3.23Å; E107-W111 PolarHBondContact O-N 3.16Å |
| 108 | L | 71.3 | Confident | 74.5 | Confident | 57 Ų | 57 | 74.5 Ų | 74.5 | 30% | 0.298 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -79.3 | -30.9 | 177 | -65.3 | -177.4 | 0 | 0 | 0 | 111.8 | L104 P105 T110 W111 V112 L127 L130 | L104-L108 HydrophobicContact CB-CB 4.29Å; P105-L108 HydrophobicContact CG-CD1 4.32Å; P105-L108 PolarHBondContact O-N 3.11Å; L108-T110 VanDerWaalsContact C-N 3.35Å; L108-T110 PolarHBondContact O-N 3.27Å; L108-W111 PolarHBondContact O-N 3.46Å; L108-V112 WeakPolarHBondContact O-CG2 3.49Å; L108-V112 PolarHBondContact O-N 2.91Å; L108-L127 HydrophobicContact CB-CD2 4.35Å; L108-L127 HydrophobicContact CD1-CD2 4.33Å; L108-L127 HydrophobicContact CD2-CD2 4.34Å; L108-L130 HydrophobicContact CD2-CD2 3.41Å; L108-L130 VanDerWaalsContact CD2-CD2 3.41Å |
| 109 | Q | 73.3 | Confident | 74.2 | Confident | 39 Ų | 39 | 75.8 Ų | 75.8 | 18% | 0.182 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 174 | -67.8 | -176.4 | 6.7 | 0 | 0 | 111.9 | V101 L104 P105 K106 W111 R113 | V101-Q109 HydrophobicContact CG1-CB 4.5Å; V101-Q109 HydrophobicContact CG1-CG 4.48Å; V101-Q109 VanDerWaalsContact O-CG 3.31Å; V101-Q109 WeakPolarHBondContact O-CG 3.32Å; L104-Q109 HydrophobicContact CB-CG 3.81Å; L104-Q109 WeakPolarHBondContact O-CG 3.49Å; L104-Q109 PolarHBondContact O-NE2 3.26Å; P105-Q109 WeakPolarHBondContact O-CG 3.38Å; P105-Q109 PolarHBondContact O-N 3.13Å; K106-Q109 PolarHBondContact O-N 3.22Å; Q109-W111 VanDerWaalsContact C-N 3.32Å; Q109-R113 VanDerWaalsContact O-CB 3.28Å; Q109-R113 WeakPolarHBondContact O-CB 3.41Å; Q109-R113 WeakPolarHBondContact O-CG 3.36Å; Q109-R113 PolarHBondContact O-N 3.01Å; Q109-R113 PolarHBondContact O-NE 3.34Å |
| 110 | T | 72.1 | Confident | 73.7 | Confident | 71 Ų | 71 | 70.5 Ų | 70.5 | 44% | 0.436 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 176.2 | 28.8 | 0 | 0 | 0 | 0 | 111.1 | K106 E107 L108 R113 D114 | K106-T110 PolarHBondContact O-N 3.4Å; K106-T110 PolarHBondContact O-OG1 2.97Å; K106-T110 VanDerWaalsContact O-OG1 3.11Å; E107-T110 PolarHBondContact O-OG1 3.23Å; L108-T110 VanDerWaalsContact C-N 3.35Å; L108-T110 PolarHBondContact O-N 3.27Å; T110-R113 WeakPolarHBondContact O-CB 3.47Å; T110-R113 PolarHBondContact O-N 2.82Å; T110-D114 VanDerWaalsContact O-CG 3.25Å; T110-D114 PolarHBondContact O-N 3.25Å |
| 111 | W | 73.3 | Confident | 73.7 | Confident | 56 Ų | 56 | 75.5 Ų | 75.5 | 21% | 0.212 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.4 | -48.7 | -178.6 | -170.6 | 81.2 | 0 | 0 | 0 | 112.7 | E107 L108 Q109 R113 D114 H115 V126 L127 L130 | E107-W111 PolarHBondContact O-N 3.16Å; L108-W111 PolarHBondContact O-N 3.46Å; Q109-W111 VanDerWaalsContact C-N 3.32Å; W111-R113 PolarHBondContact O-N 2.91Å; W111-D114 PolarHBondContact O-N 3.02Å; W111-D114 VanDerWaalsContact O-N 3.16Å; W111-H115 AromaticContact CE2-CD2 3.81Å; W111-H115 AromaticContact CE2-NE2 3.62Å; W111-H115 AromaticContact CZ2-CD2 3.84Å; W111-H115 AromaticContact CZ2-NE2 3.5Å; W111-H115 WeakPolarHBondContact CZ2-NE2 3.47Å; W111-H115 AromaticContact NE1-NE2 3.71Å; W111-H115 PolarHBondContact O-CD2 2.93Å; W111-H115 PolarHBondContact O-N 3.4Å; W111-V126 HydrophobicContact CE3-CG1 3.79Å; W111-V126 VanDerWaalsContact CH2-C 3.44Å; W111-V126 HydrophobicContact CH2-CB 4.17Å; W111-V126 HydrophobicContact CH2-CG1 3.35Å; W111-V126 WeakPolarHBondContact CH2-O 3.48Å; W111-V126 HydrophobicContact CZ2-CG1 4.39Å; W111-V126 HydrophobicContact CZ3-CB 4.02Å; W111-V126 HydrophobicContact CZ3-CG1 3.04Å; W111-V126 WeakPolarHBondContact CZ3-O 3.4Å; W111-L127 HydrophobicContact CE3-CD2 4.32Å; W111-L127 HydrophobicContact CZ3-CD2 4.37Å; W111-L130 HydrophobicContact CD2-CB 4.5Å; W111-L130 HydrophobicContact CD2-CD1 4.38Å; W111-L130 HydrophobicContact CD2-CD2 3.91Å; W111-L130 HydrophobicContact CE3-CB 4.21Å; W111-L130 HydrophobicContact CE3-CD2 3.81Å; W111-L130 HydrophobicContact CG-CD2 4.41Å; W111-L130 HydrophobicContact CH2-CB 3.6Å; W111-L130 HydrophobicContact CZ2-CB 3.88Å; W111-L130 HydrophobicContact CZ2-CD1 4.19Å; W111-L130 HydrophobicContact CZ2-CG 4.48Å; W111-L130 HydrophobicContact CZ3-CB 3.69Å; W111-L130 HydrophobicContact CZ3-CD2 4.14Å; W111-L130 HydrophobicContact CZ3-CG 4.46Å |
| 112 | V | 75.7 | Confident | 73.8 | Confident | 1 Ų | 1 | 78.5 Ų | 78.5 | 1% | 0.006 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.8 | -33.1 | 175.1 | 175.3 | 0 | 0 | 0 | 0 | 111.7 | V101 L104 L108 H115 P117 A123 V126 L127 | V101-V112 HydrophobicContact CG2-CG1 4Å; L104-V112 HydrophobicContact CD1-CB 4.32Å; L104-V112 HydrophobicContact CD1-CG2 3.78Å; L108-V112 WeakPolarHBondContact O-CG2 3.49Å; L108-V112 PolarHBondContact O-N 2.91Å; V112-H115 PolarHBondContact O-N 2.98Å; V112-P117 HydrophobicContact CG1-CG 3.92Å; V112-P117 WeakPolarHBondContact O-CD 3.42Å; V112-A123 HydrophobicContact CG1-CB 4.08Å; V112-V126 HydrophobicContact CG2-CG1 4.35Å; V112-L127 HydrophobicContact CG2-CD1 4.28Å; V112-L127 HydrophobicContact CG2-CD2 3.55Å; V112-L127 HydrophobicContact CG2-CG 3.76Å |
| 113 | R | 74.7 | Confident | 73.8 | Confident | 82 Ų | 82 | 75.4 Ų | 75.4 | 31% | 0.309 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.7 | -38.2 | 176 | -80.5 | 177.1 | -72.4 | -171.2 | -3.1 | 112.7 | V101 Q109 T110 W111 H115 H116 | V101-R113 HydrophobicContact CG1-CG 4.29Å; Q109-R113 VanDerWaalsContact O-CB 3.28Å; Q109-R113 WeakPolarHBondContact O-CB 3.41Å; Q109-R113 WeakPolarHBondContact O-CG 3.36Å; Q109-R113 PolarHBondContact O-N 3.01Å; Q109-R113 PolarHBondContact O-NE 3.34Å; T110-R113 WeakPolarHBondContact O-CB 3.47Å; T110-R113 PolarHBondContact O-N 2.82Å; W111-R113 PolarHBondContact O-N 2.91Å; R113-H115 PolarHBondContact O-N 3.09Å; R113-H116 PolarHBondContact O-N 3.22Å; R113-H116 PolarHBondContact O-ND1 3.06Å |
| 114 | D | 73.5 | Confident | 73.9 | Confident | 115 Ų | 115 | 72 Ų | 72 | 62% | 0.615 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.8 | -25.1 | 179.3 | -67.1 | -20 | 0 | 0 | 0 | 112.2 | T110 W111 H116 | T110-D114 VanDerWaalsContact O-CG 3.25Å; T110-D114 PolarHBondContact O-N 3.25Å; W111-D114 PolarHBondContact O-N 3.02Å; W111-D114 VanDerWaalsContact O-N 3.16Å; D114-H116 PolarHBondContact O-CE1 3.2Å; D114-H116 PolarHBondContact O-ND1 3.11Å |
| 115 | H | 74.3 | Confident | 74.3 | Confident | 99 Ų | 99 | 73.5 Ų | 73.5 | 46% | 0.458 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -1.8 | 178.5 | -77.6 | -95.4 | 0 | 0 | 0 | 114.8 | W111 V112 R113 V126 | W111-H115 AromaticContact CE2-CD2 3.81Å; W111-H115 AromaticContact CE2-NE2 3.62Å; W111-H115 AromaticContact CZ2-CD2 3.84Å; W111-H115 AromaticContact CZ2-NE2 3.5Å; W111-H115 WeakPolarHBondContact CZ2-NE2 3.47Å; W111-H115 AromaticContact NE1-NE2 3.71Å; W111-H115 PolarHBondContact O-CD2 2.93Å; W111-H115 PolarHBondContact O-N 3.4Å; V112-H115 PolarHBondContact O-N 2.98Å; R113-H115 PolarHBondContact O-N 3.09Å; H115-V126 HydrophobicContact CB-CG1 3.75Å; H115-V126 HydrophobicContact CB-CG2 4.09Å |
| 116 | H | 74.3 | Confident | 74.7 | Confident | 109 Ų | 109 | 70.7 Ų | 70.7 | 51% | 0.505 | 35% | 0.345 | S | S | . | . | trans | 48.4 | 52.8 | 170.8 | -59.4 | 76.8 | 0 | 0 | 0 | 116.2 | R113 D114 | R113-H116 PolarHBondContact O-N 3.22Å; R113-H116 PolarHBondContact O-ND1 3.06Å; D114-H116 PolarHBondContact O-CE1 3.2Å; D114-H116 PolarHBondContact O-ND1 3.11Å | ||
| 117 | P | 75.8 | Confident | 75.1 | Confident | 7 Ų | 7 | 64.5 Ų | 64.5 | 5% | 0.045 | 32% | 0.319 | C | S | . | . | trans | -64.4 | 141.2 | 179.7 | 27.9 | -35.7 | 0 | 0 | 0 | 111.9 | R52 L97 V112 E122 A123 | R52-P117 PolarHBondContact NH1-O 3.31Å; L97-P117 HydrophobicContact CD1-CB 4.41Å; L97-P117 HydrophobicContact CD1-CG 4.01Å; L97-P117 HydrophobicContact CD2-CB 4.37Å; L97-P117 HydrophobicContact CD2-CG 4.3Å; L97-P117 WeakPolarHBondContact CD2-O 3.35Å; V112-P117 HydrophobicContact CG1-CG 3.92Å; V112-P117 WeakPolarHBondContact O-CD 3.42Å; P117-E122 HydrophobicContact CB-CB 4.05Å; P117-E122 HydrophobicContact CB-CG 3.97Å; P117-A123 HydrophobicContact CB-CB 3.96Å; P117-A123 HydrophobicContact CG-CB 3.88Å | ||
| 118 | E | 71.6 | Confident | 75.5 | Confident | 147 Ų | 147 | 63.2 Ų | 63.2 | 69% | 0.687 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -86.7 | -24.7 | 178.3 | -62.8 | -168.8 | 164.8 | 0 | 0 | 112.2 | E122 | E118-E122 WeakPolarHBondContact CB-OE2 3.44Å; E118-E122 PolarHBondContact N-OE2 3.45Å |
| 119 | N | 76.6 | Confident | 75.8 | Confident | 51 Ų | 51 | 65.2 Ų | 65.2 | 27% | 0.273 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -144.8 | 172.5 | -179.7 | 63 | 64.2 | 0 | 0 | 0 | 112.8 | E93 E121 E122 A123 | E93-N119 HydrophobicContact CB-CB 4.48Å; N119-E121 VanDerWaalsContact C-N 3.33Å; N119-E121 PolarHBondContact O-N 2.94Å; N119-E121 WeakPolarHBondContact OD1-CB 3.43Å; N119-E121 PolarHBondContact OD1-N 3.11Å; N119-E122 PolarHBondContact O-N 3.28Å; N119-E122 PolarHBondContact OD1-N 3.26Å; N119-A123 PolarHBondContact O-N 2.83Å |
| 120 | G | 72.3 | Confident | 75.7 | Confident | 11 Ų | 11 | 64.9 Ų | 64.9 | 11% | 0.113 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.2 | -32.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A123 V124 | G120-A123 PolarHBondContact O-N 2.74Å; G120-V124 WeakPolarHBondContact O-CG2 3.25Å; G120-V124 PolarHBondContact O-N 2.75Å |
| 121 | E | 77.3 | Confident | 75.2 | Confident | 156 Ų | 156 | 67.3 Ų | 67.3 | 73% | 0.729 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -67.7 | -44 | 178.6 | -172 | 173 | -177.2 | 0 | 0 | 110.7 | N119 A123 V124 T125 | N119-E121 VanDerWaalsContact C-N 3.33Å; N119-E121 PolarHBondContact O-N 2.94Å; N119-E121 WeakPolarHBondContact OD1-CB 3.43Å; N119-E121 PolarHBondContact OD1-N 3.11Å; E121-A123 VanDerWaalsContact C-N 3.32Å; E121-A123 PolarHBondContact O-N 3.34Å; E121-V124 WeakPolarHBondContact O-CB 3.47Å; E121-V124 PolarHBondContact O-N 2.88Å; E121-V124 VanDerWaalsContact O-N 3.07Å; E121-T125 PolarHBondContact O-N 3.24Å |
| 122 | E | 80 | Confident | 74.8 | Confident | 71 Ų | 71 | 68.4 Ų | 68.4 | 33% | 0.332 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.1 | -35.5 | 175.5 | -171.4 | 174.8 | -164 | 0 | 0 | 112.5 | P117 E118 N119 V124 T125 V126 | P117-E122 HydrophobicContact CB-CB 4.05Å; P117-E122 HydrophobicContact CB-CG 3.97Å; E118-E122 WeakPolarHBondContact CB-OE2 3.44Å; E118-E122 PolarHBondContact N-OE2 3.45Å; N119-E122 PolarHBondContact O-N 3.28Å; N119-E122 PolarHBondContact OD1-N 3.26Å; E122-V124 VanDerWaalsContact C-N 3.27Å; E122-V124 PolarHBondContact O-N 3.49Å; E122-T125 WeakPolarHBondContact CA-OG1 3.43Å; E122-T125 PolarHBondContact O-N 3.15Å; E122-T125 PolarHBondContact O-OG1 3.06Å; E122-V126 WeakPolarHBondContact O-CB 3.41Å; E122-V126 WeakPolarHBondContact O-CG2 3.25Å; E122-V126 PolarHBondContact O-N 3.22Å |
| 123 | A | 78.5 | Confident | 74 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.4 | -30.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L97 F100 V112 P117 N119 G120 E121 L127 | L97-A123 HydrophobicContact CD1-CB 3.49Å; L97-A123 VanDerWaalsContact CD1-CB 3.49Å; F100-A123 HydrophobicContact CD1-CB 3.9Å; F100-A123 HydrophobicContact CE1-CB 3.84Å; V112-A123 HydrophobicContact CG1-CB 4.08Å; P117-A123 HydrophobicContact CB-CB 3.96Å; P117-A123 HydrophobicContact CG-CB 3.88Å; N119-A123 PolarHBondContact O-N 2.83Å; G120-A123 PolarHBondContact O-N 2.74Å; E121-A123 VanDerWaalsContact C-N 3.32Å; E121-A123 PolarHBondContact O-N 3.34Å; A123-L127 WeakPolarHBondContact O-CG 3.43Å; A123-L127 PolarHBondContact O-N 2.96Å |
| 124 | V | 76.9 | Confident | 73 | Confident | 50 Ų | 50 | 76.3 Ų | 76.3 | 30% | 0.303 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -73.9 | -44.8 | 175 | 172 | 0 | 0 | 0 | 0 | 110.5 | F100 G120 E121 E122 V126 L127 E128 | F100-V124 HydrophobicContact CE1-CG2 4.35Å; F100-V124 HydrophobicContact CE2-CG2 4.08Å; F100-V124 HydrophobicContact CZ-CG2 3.7Å; G120-V124 WeakPolarHBondContact O-CG2 3.25Å; G120-V124 PolarHBondContact O-N 2.75Å; E121-V124 WeakPolarHBondContact O-CB 3.47Å; E121-V124 PolarHBondContact O-N 2.88Å; E121-V124 VanDerWaalsContact O-N 3.07Å; E122-V124 VanDerWaalsContact C-N 3.27Å; E122-V124 PolarHBondContact O-N 3.49Å; V124-V126 VanDerWaalsContact C-N 3.27Å; V124-V126 PolarHBondContact O-N 3.08Å; V124-L127 CarbonylContact O-C 3.58Å; V124-L127 WeakPolarHBondContact O-CA 3.36Å; V124-L127 WeakPolarHBondContact O-CB 3.35Å; V124-L127 PolarHBondContact O-N 3.44Å; V124-E128 HydrophobicContact CG1-CG 4.19Å; V124-E128 WeakPolarHBondContact O-CG 3.45Å; V124-E128 PolarHBondContact O-N 3.36Å |
| 125 | T | 80.8 | Confident | 71.7 | Confident | 56 Ų | 56 | 76.7 Ų | 76.7 | 34% | 0.344 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61 | -39.8 | 177.2 | 57 | 0 | 0 | 0 | 0 | 111.6 | E121 E122 L127 E128 D129 | E121-T125 PolarHBondContact O-N 3.24Å; E122-T125 WeakPolarHBondContact CA-OG1 3.43Å; E122-T125 PolarHBondContact O-N 3.15Å; E122-T125 PolarHBondContact O-OG1 3.06Å; T125-L127 PolarHBondContact O-N 2.88Å; T125-E128 PolarHBondContact O-N 2.81Å; T125-D129 WeakPolarHBondContact O-CB 3.38Å; T125-D129 VanDerWaalsContact O-CG 3.24Å; T125-D129 PolarHBondContact O-N 3.43Å |
| 126 | V | 81 | Confident | 70.4 | Confident | 14 Ų | 14 | 76.2 Ų | 76.2 | 9% | 0.085 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -55.4 | -52.4 | 171.5 | 164.8 | 0 | 0 | 0 | 0 | 108.5 | W111 V112 H115 E122 V124 E128 D129 L130 | W111-V126 HydrophobicContact CE3-CG1 3.79Å; W111-V126 VanDerWaalsContact CH2-C 3.44Å; W111-V126 HydrophobicContact CH2-CB 4.17Å; W111-V126 HydrophobicContact CH2-CG1 3.35Å; W111-V126 WeakPolarHBondContact CH2-O 3.48Å; W111-V126 HydrophobicContact CZ2-CG1 4.39Å; W111-V126 HydrophobicContact CZ3-CB 4.02Å; W111-V126 HydrophobicContact CZ3-CG1 3.04Å; W111-V126 WeakPolarHBondContact CZ3-O 3.4Å; V112-V126 HydrophobicContact CG2-CG1 4.35Å; H115-V126 HydrophobicContact CB-CG1 3.75Å; H115-V126 HydrophobicContact CB-CG2 4.09Å; E122-V126 WeakPolarHBondContact O-CB 3.41Å; E122-V126 WeakPolarHBondContact O-CG2 3.25Å; E122-V126 PolarHBondContact O-N 3.22Å; V124-V126 VanDerWaalsContact C-N 3.27Å; V124-V126 PolarHBondContact O-N 3.08Å; V126-E128 PolarHBondContact O-N 2.87Å; V126-D129 WeakPolarHBondContact O-CB 3.5Å; V126-D129 PolarHBondContact O-N 3.15Å; V126-L130 PolarHBondContact O-N 3.34Å; V126-L130 VanDerWaalsContact O-N 3.08Å |
| 127 | L | 75.8 | Confident | 69.2 | Low | 32 Ų | 32 | 77.2 Ų | 77.2 | 17% | 0.168 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63 | -35.6 | 178.1 | -70.7 | 169.1 | 0 | 0 | 0 | 114.8 | F100 L104 L108 W111 V112 A123 V124 T125 L130 E131 | F100-L127 HydrophobicContact CE1-CD1 3.72Å; F100-L127 HydrophobicContact CZ-CD1 3.68Å; L104-L127 HydrophobicContact CD1-CD1 4.01Å; L104-L127 HydrophobicContact CD2-CD1 3.86Å; L108-L127 HydrophobicContact CB-CD2 4.35Å; L108-L127 HydrophobicContact CD1-CD2 4.33Å; L108-L127 HydrophobicContact CD2-CD2 4.34Å; W111-L127 HydrophobicContact CE3-CD2 4.32Å; W111-L127 HydrophobicContact CZ3-CD2 4.37Å; V112-L127 HydrophobicContact CG2-CD1 4.28Å; V112-L127 HydrophobicContact CG2-CD2 3.55Å; V112-L127 HydrophobicContact CG2-CG 3.76Å; A123-L127 WeakPolarHBondContact O-CG 3.43Å; A123-L127 PolarHBondContact O-N 2.96Å; V124-L127 CarbonylContact O-C 3.58Å; V124-L127 WeakPolarHBondContact O-CA 3.36Å; V124-L127 WeakPolarHBondContact O-CB 3.35Å; V124-L127 PolarHBondContact O-N 3.44Å; T125-L127 PolarHBondContact O-N 2.88Å; L127-L130 WeakPolarHBondContact O-CB 3.49Å; L127-L130 PolarHBondContact O-N 3.39Å; L127-E131 PolarHBondContact O-N 3.09Å |
| 128 | E | 76.4 | Confident | 68.3 | Low | 104 Ų | 104 | 79.8 Ų | 79.8 | 49% | 0.486 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.9 | -35.3 | 176.1 | -70.7 | 176.5 | 165 | 0 | 0 | 112 | V124 T125 V126 E131 S132 | V124-E128 HydrophobicContact CG1-CG 4.19Å; V124-E128 WeakPolarHBondContact O-CG 3.45Å; V124-E128 PolarHBondContact O-N 3.36Å; T125-E128 PolarHBondContact O-N 2.81Å; V126-E128 PolarHBondContact O-N 2.87Å; E128-E131 PolarHBondContact O-N 3.44Å; E128-S132 WeakPolarHBondContact O-CB 3.49Å; E128-S132 PolarHBondContact O-N 3.42Å; E128-S132 PolarHBondContact O-OG 3.28Å |
| 129 | D | 77.3 | Confident | 66.7 | Low | 98 Ų | 98 | 80.7 Ų | 80.7 | 52% | 0.524 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 172.9 | -73.2 | -22.6 | 0 | 0 | 0 | 110.5 | T125 V126 E131 S132 E133 | T125-D129 WeakPolarHBondContact O-CB 3.38Å; T125-D129 VanDerWaalsContact O-CG 3.24Å; T125-D129 PolarHBondContact O-N 3.43Å; V126-D129 WeakPolarHBondContact O-CB 3.5Å; V126-D129 PolarHBondContact O-N 3.15Å; D129-E131 VanDerWaalsContact C-N 3.35Å; D129-E131 PolarHBondContact O-N 3.32Å; D129-S132 PolarHBondContact O-N 2.67Å; D129-E133 WeakPolarHBondContact O-CG 3.45Å; D129-E133 PolarHBondContact O-N 3.28Å |
| 130 | L | 71.4 | Confident | 64.8 | Low | 33 Ų | 33 | 83.3 Ų | 83.3 | 17% | 0.173 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 173.6 | -179.3 | 65.9 | 0 | 0 | 0 | 112.3 | L108 W111 V126 L127 E133 L134 | L108-L130 HydrophobicContact CD2-CD2 3.41Å; L108-L130 VanDerWaalsContact CD2-CD2 3.41Å; W111-L130 HydrophobicContact CD2-CB 4.5Å; W111-L130 HydrophobicContact CD2-CD1 4.38Å; W111-L130 HydrophobicContact CD2-CD2 3.91Å; W111-L130 HydrophobicContact CE3-CB 4.21Å; W111-L130 HydrophobicContact CE3-CD2 3.81Å; W111-L130 HydrophobicContact CG-CD2 4.41Å; W111-L130 HydrophobicContact CH2-CB 3.6Å; W111-L130 HydrophobicContact CZ2-CB 3.88Å; W111-L130 HydrophobicContact CZ2-CD1 4.19Å; W111-L130 HydrophobicContact CZ2-CG 4.48Å; W111-L130 HydrophobicContact CZ3-CB 3.69Å; W111-L130 HydrophobicContact CZ3-CD2 4.14Å; W111-L130 HydrophobicContact CZ3-CG 4.46Å; V126-L130 PolarHBondContact O-N 3.34Å; V126-L130 VanDerWaalsContact O-N 3.08Å; L127-L130 WeakPolarHBondContact O-CB 3.49Å; L127-L130 PolarHBondContact O-N 3.39Å; L130-E133 PolarHBondContact O-N 3.42Å; L130-L134 VanDerWaalsContact O-CG 3.31Å; L130-L134 WeakPolarHBondContact O-CG 3.28Å; L130-L134 PolarHBondContact O-N 3.22Å |
| 131 | E | 62.7 | Low | 63.5 | Low | 122 Ų | 122 | 88.7 Ų | 88.7 | 57% | 0.57 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.8 | -41.9 | 177 | -169.3 | 166.4 | -150.9 | 0 | 0 | 111 | L127 E128 D129 E133 L134 D135 | L127-E131 PolarHBondContact O-N 3.09Å; E128-E131 PolarHBondContact O-N 3.44Å; D129-E131 VanDerWaalsContact C-N 3.35Å; D129-E131 PolarHBondContact O-N 3.32Å; E131-E133 PolarHBondContact O-N 3.09Å; E131-L134 WeakPolarHBondContact O-CB 3.48Å; E131-L134 PolarHBondContact O-N 3.45Å; E131-L134 VanDerWaalsContact O-N 3.11Å; E131-D135 PolarHBondContact O-N 3.4Å |
| 132 | S | 63.3 | Low | 61.5 | Low | 78 Ų | 78 | 86.3 Ų | 86.3 | 55% | 0.545 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.3 | -35.2 | 176.5 | -58.7 | 0 | 0 | 0 | 0 | 112.9 | E128 D129 L134 D135 D136 | E128-S132 WeakPolarHBondContact O-CB 3.49Å; E128-S132 PolarHBondContact O-N 3.42Å; E128-S132 PolarHBondContact O-OG 3.28Å; D129-S132 PolarHBondContact O-N 2.67Å; S132-L134 VanDerWaalsContact C-N 3.26Å; S132-L134 PolarHBondContact O-N 3Å; S132-D135 PolarHBondContact O-N 2.97Å; S132-D136 PolarHBondContact O-N 3.12Å |
| 133 | E | 59 | Low | 59.6 | Low | 135 Ų | 135 | 90.1 Ų | 90.1 | 63% | 0.631 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.4 | -26.3 | 173.5 | -78 | -172.3 | 170.8 | 0 | 0 | 113.1 | D129 L130 E131 R144 | D129-E133 WeakPolarHBondContact O-CG 3.45Å; D129-E133 PolarHBondContact O-N 3.28Å; L130-E133 PolarHBondContact O-N 3.42Å; E131-E133 PolarHBondContact O-N 3.09Å; E133-R144 PolarHBondContact O-NH2 3.27Å; E133-R144 VanDerWaalsContact O-NH2 3.15Å |
| 134 | L | 54 | Low | 58 | Low | 115 Ų | 115 | 97.3 Ų | 97.3 | 60% | 0.602 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -78.4 | -31.1 | 176.9 | -66.3 | 169.5 | 0 | 0 | 0 | 112 | L130 E131 S132 R144 | L130-L134 VanDerWaalsContact O-CG 3.31Å; L130-L134 WeakPolarHBondContact O-CG 3.28Å; L130-L134 PolarHBondContact O-N 3.22Å; E131-L134 WeakPolarHBondContact O-CB 3.48Å; E131-L134 PolarHBondContact O-N 3.45Å; E131-L134 VanDerWaalsContact O-N 3.11Å; S132-L134 VanDerWaalsContact C-N 3.26Å; S132-L134 PolarHBondContact O-N 3Å; L134-R144 PolarHBondContact O-NH1 3.46Å; L134-R144 VanDerWaalsContact O-NH1 3.15Å |
| 135 | D | 47.1 | Very low | 56.3 | Low | 123 Ų | 123 | 103.2 Ų | 103.2 | 66% | 0.658 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -95.1 | 0.4 | -172.3 | -77.7 | -34.1 | 0 | 0 | 0 | 116 | E131 S132 P137 | E131-D135 PolarHBondContact O-N 3.4Å; S132-D135 PolarHBondContact O-N 2.97Å; D135-P137 VanDerWaalsContact O-CD 3.3Å; D135-P137 WeakPolarHBondContact O-CD 3.42Å |
| 136 | D | 46.8 | Very low | 54.3 | Low | 88 Ų | 88 | 110.2 Ų | 110.2 | 47% | 0.471 | 58% | 0.577 | S | S | . | * | trans | -70.8 | 122.6 | 178.3 | -175 | 61.8 | 0 | 0 | 0 | 113.7 | S132 G138 | S132-D136 PolarHBondContact O-N 3.12Å; D136-G138 PolarHBondContact O-N 3.3Å; D136-G138 PolarHBondContact OD2-N 3.48Å; D136-G138 VanDerWaalsContact OD2-N 3.12Å | ||
| 137 | P | 48.8 | Very low | 52.4 | Low | 131 Ų | 131 | 119.6 Ų | 119.6 | 85% | 0.851 | 62% | 0.617 | S | S | * | * | trans | -89.2 | 17 | -178.2 | 34 | -32.2 | 0 | 0 | 0 | 114.9 | D135 | D135-P137 VanDerWaalsContact O-CD 3.3Å; D135-P137 WeakPolarHBondContact O-CD 3.42Å | ||
| 138 | G | 56.2 | Low | 50.7 | Low | 60 Ų | 60 | 128.4 Ų | 128.4 | 62% | 0.619 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -111.6 | -4.1 | -162.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | D136 | D136-G138 PolarHBondContact O-N 3.3Å; D136-G138 PolarHBondContact OD2-N 3.48Å; D136-G138 VanDerWaalsContact OD2-N 3.12Å |
| 139 | Q | 38.6 | Very low | 49.1 | Very low | 167 Ų | 167 | 126.8 Ų | 126.8 | 78% | 0.78 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -135.4 | 153 | -177.8 | -101 | -178.9 | -42.5 | 0 | 0 | 115.2 | ||
| 140 | P | 36.4 | Very low | 47.5 | Very low | 106 Ų | 106 | 126.1 Ų | 126.1 | 69% | 0.688 | 64% | 0.64 | S | S | * | * | trans | -72.6 | 140.2 | -159.9 | 26.8 | -32.6 | 0 | 0 | 0 | 115.6 | S142 | P140-S142 PolarHBondContact O-N 3.06Š| ||
| 141 | V | 44.2 | Very low | 46.3 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 75% | 0.745 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 10.9 | -167.9 | 173.3 | 0 | 0 | 0 | 0 | 116.4 | ||
| 142 | S | 35.4 | Very low | 45.4 | Very low | 106 Ų | 106 | 130.2 Ų | 130.2 | 74% | 0.741 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -2.2 | -174.1 | 51.9 | 0 | 0 | 0 | 0 | 116.5 | P140 | P140-S142 PolarHBondContact O-N 3.06Š|
| 143 | L | 40.2 | Very low | 44.5 | Very low | 152 Ų | 152 | 132.7 Ų | 132.7 | 80% | 0.796 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -115.6 | -6.6 | 173.7 | -98.5 | 145.3 | 0 | 0 | 0 | 113.7 | R145 | L143-R145 VanDerWaalsContact C-N 3.29Å; L143-R145 PolarHBondContact O-N 3.41Å |
| 144 | R | 45.4 | Very low | 43.7 | Very low | 151 Ų | 151 | 132 Ų | 132 | 57% | 0.57 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -86.6 | 24.2 | -179.7 | -75.2 | -170.6 | 174.7 | -155.7 | -0.6 | 114.5 | E133 L134 | E133-R144 PolarHBondContact O-NH2 3.27Å; E133-R144 VanDerWaalsContact O-NH2 3.15Å; L134-R144 PolarHBondContact O-NH1 3.46Å; L134-R144 VanDerWaalsContact O-NH1 3.15Å |
| 145 | R | 41 | Very low | 43.3 | Very low | 174 Ų | 174 | 133.6 Ų | 133.6 | 66% | 0.657 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -143.9 | -10.2 | 172.3 | -125.9 | -176.3 | 171.2 | -175.2 | -9.9 | 115.8 | L143 E149 | L143-R145 VanDerWaalsContact C-N 3.29Å; L143-R145 PolarHBondContact O-N 3.41Å; R145-E149 WeakPolarHBondContact CD-OE2 3.33Å; R145-E149 VanDerWaalsContact CG-OE2 3.24Å; R145-E149 WeakPolarHBondContact CG-OE2 3.38Å; R145-E149 IonicContact CZ-OE1 3.99Å; R145-E149 IonicContact CZ-OE2 3.14Å; R145-E149 IonicContact NE-OE1 2.86Å; R145-E149 PolarHBondContact NE-OE1 3.07Å; R145-E149 IonicContact NE-OE2 2.79Å; R145-E149 PolarHBondContact NE-OE2 3.24Å; R145-E149 IonicContact NH2-OE1 3.58Å; R145-E149 PolarHBondContact NH2-OE1 3.2Å; R145-E149 IonicContact NH2-OE2 2.79Å |
| 146 | R | 39.7 | Very low | 43.4 | Very low | 203 Ų | 203 | 132.1 Ų | 132.1 | 77% | 0.766 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 0.7 | -172.6 | -141.4 | 177 | -169.8 | -173.8 | 2.3 | 116.3 | V150 | R146-V150 HydrophobicContact CG-CG2 4.13Š|
| 147 | K | 40.6 | Very low | 43.2 | Very low | 210 Ų | 210 | 132.1 Ų | 132.1 | 91% | 0.913 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | 1.4 | 174.6 | -126 | 178 | -177.8 | -178 | 0 | 114.8 | ||
| 148 | R | 40.4 | Very low | 43.1 | Very low | 217 Ų | 217 | 134.1 Ų | 134.1 | 82% | 0.819 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125 | -14.8 | 174.1 | -120.3 | 179 | -176.9 | -176.8 | 1.4 | 115.2 | V152 | R148-V152 WeakPolarHBondContact O-CG2 3.3Š|
| 149 | E | 42.5 | Very low | 42.7 | Very low | 71 Ų | 71 | 139.8 Ų | 139.8 | 33% | 0.332 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -100.3 | -14 | 175.9 | -79.6 | 171.6 | 178 | 0 | 0 | 114.7 | R145 L151 | R145-E149 WeakPolarHBondContact CD-OE2 3.33Å; R145-E149 VanDerWaalsContact CG-OE2 3.24Å; R145-E149 WeakPolarHBondContact CG-OE2 3.38Å; R145-E149 IonicContact CZ-OE1 3.99Å; R145-E149 IonicContact CZ-OE2 3.14Å; R145-E149 IonicContact NE-OE1 2.86Å; R145-E149 PolarHBondContact NE-OE1 3.07Å; R145-E149 IonicContact NE-OE2 2.79Å; R145-E149 PolarHBondContact NE-OE2 3.24Å; R145-E149 IonicContact NH2-OE1 3.58Å; R145-E149 PolarHBondContact NH2-OE1 3.2Å; R145-E149 IonicContact NH2-OE2 2.79Å; E149-L151 PolarHBondContact O-N 3.46Å |
| 150 | V | 44 | Very low | 42.8 | Very low | 84 Ų | 84 | 139.7 Ų | 139.7 | 51% | 0.509 | 69% | 0.688 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.9 | -12 | 177 | 179.8 | 0 | 0 | 0 | 0 | 113.7 | R146 | R146-V150 HydrophobicContact CG-CG2 4.13Š|
| 151 | L | 46.1 | Very low | 43.1 | Very low | 148 Ų | 148 | 139 Ų | 139 | 78% | 0.775 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -3 | 179.2 | -144.4 | 81.7 | 0 | 0 | 0 | 114.7 | E149 | E149-L151 PolarHBondContact O-N 3.46Š|
| 152 | V | 44.4 | Very low | 42.9 | Very low | 93 Ų | 93 | 142 Ų | 142 | 56% | 0.564 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.8 | -25.3 | -178.6 | -122.7 | 0 | 0 | 0 | 0 | 113 | R148 | R148-V152 WeakPolarHBondContact O-CG2 3.3Š|
| 153 | E | 44.5 | Very low | 43.3 | Very low | 130 Ų | 130 | 140 Ų | 140 | 61% | 0.607 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -84.6 | -21.4 | 176.8 | -68 | -172.4 | 153.2 | 0 | 0 | 113.8 | S157 | E153-S157 WeakPolarHBondContact O-CB 3.27Å; E153-S157 PolarHBondContact O-N 2.85Å; E153-S157 PolarHBondContact O-OG 3.31Å |
| 154 | D | 41.5 | Very low | 42.9 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 64% | 0.642 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -17.8 | 172.9 | -87.4 | -11 | 0 | 0 | 0 | 113.3 | ||
| 155 | M | 46.4 | Very low | 42.5 | Very low | 149 Ų | 149 | 138.6 Ų | 138.6 | 73% | 0.734 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -14.8 | 175.6 | -74.1 | -178.1 | 66.3 | 0 | 0 | 113.8 | ||
| 156 | V | 47.5 | Very low | 42.6 | Very low | 92 Ų | 92 | 134.9 Ų | 134.9 | 56% | 0.558 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | -18.5 | -179.3 | 177.4 | 0 | 0 | 0 | 0 | 112.5 | Q158 | V156-Q158 VanDerWaalsContact C-N 3.35Å; V156-Q158 PolarHBondContact O-N 3.39Å |
| 157 | S | 44.3 | Very low | 42.8 | Very low | 88 Ų | 88 | 130.2 Ų | 130.2 | 62% | 0.615 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -1 | 179.7 | -55.7 | 0 | 0 | 0 | 0 | 115.2 | E153 | E153-S157 WeakPolarHBondContact O-CB 3.27Å; E153-S157 PolarHBondContact O-N 2.85Å; E153-S157 PolarHBondContact O-OG 3.31Å |
| 158 | Q | 45.8 | Very low | 43.1 | Very low | 173 Ų | 173 | 127.9 Ų | 127.9 | 81% | 0.808 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -12.3 | 177.4 | -81.9 | -168 | -2.8 | 0 | 0 | 115.2 | V156 | V156-Q158 VanDerWaalsContact C-N 3.35Å; V156-Q158 PolarHBondContact O-N 3.39Å |
| 159 | E | 47.2 | Very low | 43.4 | Very low | 178 Ų | 178 | 123 Ų | 123 | 83% | 0.832 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | -13.8 | -177.9 | -75.6 | -166.5 | 116.7 | 0 | 0 | 115.4 | ||
| 160 | E | 40.6 | Very low | 43.4 | Very low | 166 Ų | 166 | 125.1 Ų | 125.1 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -108.1 | 23.8 | -180 | -73.2 | -170.5 | 133.9 | 0 | 0 | 114.9 | Q162 | E160-Q162 VanDerWaalsContact C-N 3.28Š|
| 161 | A | 43.6 | Very low | 43.4 | Very low | 90 Ų | 90 | 124.4 Ų | 124.4 | 74% | 0.744 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -87 | 11.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 162 | Q | 39.4 | Very low | 43.4 | Very low | 186 Ų | 186 | 121.2 Ų | 121.2 | 87% | 0.869 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -127 | 79.2 | 172.9 | -63.5 | -172.4 | 4.2 | 0 | 0 | 109.3 | E160 | E160-Q162 VanDerWaalsContact C-N 3.28Š|
| 163 | G | 44.7 | Very low | 43.4 | Very low | 66 Ų | 66 | 121.6 Ų | 121.6 | 68% | 0.68 | 68% | 0.682 | S | S | * | * | trans | -73.1 | 168.4 | -163.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 164 | L | 31.1 | Very low | 43.6 | Very low | 174 Ų | 174 | 120.7 Ų | 120.7 | 91% | 0.911 | 68% | 0.681 | S | S | * | * | trans | -162.8 | 159.5 | 163.6 | -94.8 | 146.7 | 0 | 0 | 0 | 110.1 | ||||
| 165 | P | 36.2 | Very low | 43.6 | Very low | 99 Ų | 99 | 122.2 Ų | 122.2 | 64% | 0.643 | 69% | 0.685 | S | S | * | * | trans | -100.3 | 155 | -145.6 | 36.5 | -37 | 0 | 0 | 0 | 118.7 | S167 | P165-S167 VanDerWaalsContact C-N 3.29Å; P165-S167 PolarHBondContact O-N 3.46Å | ||
| 166 | S | 43.2 | Very low | 43.6 | Very low | 95 Ų | 95 | 120.9 Ų | 120.9 | 66% | 0.664 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -7 | -3.3 | 165.4 | -79.4 | 0 | 0 | 0 | 0 | 125.2 | ||
| 167 | S | 45.2 | Very low | 43.5 | Very low | 106 Ų | 106 | 122.2 Ų | 122.2 | 74% | 0.741 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -92.9 | -2.1 | -175.2 | 58.2 | 0 | 0 | 0 | 0 | 115.8 | P165 | P165-S167 VanDerWaalsContact C-N 3.29Å; P165-S167 PolarHBondContact O-N 3.46Å |
| 168 | E | 45.9 | Very low | 43.2 | Very low | 161 Ų | 161 | 127.1 Ų | 127.1 | 75% | 0.752 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -109.4 | -3.6 | 173.8 | -67.1 | -166.1 | 153.5 | 0 | 0 | 113.9 | D170 A171 | E168-D170 VanDerWaalsContact C-N 3.34Å; E168-D170 PolarHBondContact O-N 3.19Å; E168-A171 PolarHBondContact O-N 2.83Å |
| 169 | L | 47 | Very low | 42.8 | Very low | 115 Ų | 115 | 121.8 Ų | 121.8 | 60% | 0.602 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -71.9 | -24.7 | 178.5 | -76.6 | 169.3 | 0 | 0 | 0 | 113.4 | A171 E173 | L169-A171 VanDerWaalsContact C-N 3.28Å; L169-A171 PolarHBondContact O-N 2.82Å; L169-E173 PolarHBondContact O-N 3.33Å |
| 170 | D | 42.3 | Very low | 42.3 | Very low | 115 Ų | 115 | 117.9 Ų | 117.9 | 62% | 0.615 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -76.1 | -16.1 | 177.1 | -69.4 | -31.8 | 0 | 0 | 0 | 113.3 | E168 N174 | E168-D170 VanDerWaalsContact C-N 3.34Å; E168-D170 PolarHBondContact O-N 3.19Å; D170-N174 PolarHBondContact O-ND2 3.43Å |
| 171 | A | 43.8 | Very low | 42.1 | Very low | 68 Ų | 68 | 118.8 Ų | 118.8 | 56% | 0.562 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -85.6 | -30.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E168 L169 | E168-A171 PolarHBondContact O-N 2.83Å; L169-A171 VanDerWaalsContact C-N 3.28Å; L169-A171 PolarHBondContact O-N 2.82Å |
| 172 | V | 46.5 | Very low | 41.5 | Very low | 81 Ų | 81 | 122.7 Ų | 122.7 | 49% | 0.491 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -85 | -33.2 | -179.1 | -177.3 | 0 | 0 | 0 | 0 | 111.6 | N174 Q175 L176 | V172-N174 PolarHBondContact O-N 3.02Å; V172-Q175 PolarHBondContact O-N 3.23Å; V172-L176 HydrophobicContact CG1-CD1 4.35Å; V172-L176 PolarHBondContact O-N 3.44Å |
| 173 | E | 45.6 | Very low | 41.4 | Very low | 102 Ų | 102 | 121.1 Ų | 121.1 | 48% | 0.477 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -66 | -25.5 | 178.3 | -157.4 | -174 | 139.2 | 0 | 0 | 113.2 | L169 K177 | L169-E173 PolarHBondContact O-N 3.33Å; E173-K177 WeakPolarHBondContact O-CG 3.37Å; E173-K177 WeakPolarHBondContact OE1-CE 3.2Å; E173-K177 IonicContact OE1-NZ 3.12Å; E173-K177 PolarHBondContact OE1-NZ 3.33Å |
| 174 | N | 46.9 | Very low | 40.9 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 59% | 0.588 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -83.9 | -16.3 | 177.1 | -82.6 | -38.5 | 0 | 0 | 0 | 114.4 | D170 V172 | D170-N174 PolarHBondContact O-ND2 3.43Å; V172-N174 PolarHBondContact O-N 3.02Å |
| 175 | Q | 42.5 | Very low | 40.8 | Very low | 153 Ų | 153 | 122.5 Ų | 122.5 | 72% | 0.715 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -85 | -29.8 | 171.6 | -90.4 | -179.9 | -16.3 | 0 | 0 | 112.7 | V172 W178 | V172-Q175 PolarHBondContact O-N 3.23Å; Q175-W178 PolarHBondContact O-N 3.02Å |
| 176 | L | 47 | Very low | 40.4 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 63% | 0.628 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -77.5 | -21.9 | 177.2 | -74.6 | 162.6 | 0 | 0 | 0 | 113.6 | V172 W178 S180 | V172-L176 HydrophobicContact CG1-CD1 4.35Å; V172-L176 PolarHBondContact O-N 3.44Å; L176-W178 VanDerWaalsContact C-N 3.32Å; L176-W178 PolarHBondContact O-N 2.85Å; L176-S180 PolarHBondContact O-N 3.34Å |
| 177 | K | 44.8 | Very low | 39.7 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 52% | 0.522 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -72.4 | -20.6 | 173.2 | -75.6 | 172.5 | -175 | 161.4 | 0 | 113.7 | E173 | E173-K177 WeakPolarHBondContact O-CG 3.37Å; E173-K177 WeakPolarHBondContact OE1-CE 3.2Å; E173-K177 IonicContact OE1-NZ 3.12Å; E173-K177 PolarHBondContact OE1-NZ 3.33Å |
| 178 | W | 37 | Very low | 38.9 | Very low | 192 Ų | 192 | 134.6 Ų | 134.6 | 73% | 0.727 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -79.4 | -38.8 | 173.5 | -121.6 | 64.3 | 0 | 0 | 0 | 112.2 | Q175 L176 S180 W181 | Q175-W178 PolarHBondContact O-N 3.02Å; L176-W178 VanDerWaalsContact C-N 3.32Å; L176-W178 PolarHBondContact O-N 2.85Å; W178-S180 VanDerWaalsContact C-N 3.31Å; W178-S180 PolarHBondContact O-N 3.05Å; W178-W181 PolarHBondContact O-N 3.47Å |
| 179 | A | 38.5 | Very low | 38 | Very low | 61 Ų | 61 | 131.9 Ų | 131.9 | 50% | 0.504 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -73 | -21.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 180 | S | 36.1 | Very low | 37 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 67% | 0.671 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -10.7 | 173.6 | -172.7 | 0 | 0 | 0 | 0 | 114.1 | L176 W178 | L176-S180 PolarHBondContact O-N 3.34Å; W178-S180 VanDerWaalsContact C-N 3.31Å; W178-S180 PolarHBondContact O-N 3.05Å |
| 181 | W | 37.4 | Very low | 36.1 | Very low | 185 Ų | 185 | 134.8 Ų | 134.8 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -20.8 | 179.4 | -168.5 | 17.5 | 0 | 0 | 0 | 113.2 | W178 | W178-W181 PolarHBondContact O-N 3.47Š|
| 182 | E | 30.1 | Very low | 35.5 | Very low | 171 Ų | 171 | 138.8 Ų | 138.8 | 80% | 0.799 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -7.7 | -174.7 | -149.7 | 157.2 | -161 | 0 | 0 | 114 | ||
| 183 | L | 37.6 | Very low | 34.5 | Very low | 154 Ų | 154 | 138.2 Ų | 138.2 | 81% | 0.806 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | 3 | -179.3 | -91 | 162.8 | 0 | 0 | 0 | 115.2 | ||
| 184 | H | 35.3 | Very low | 33.6 | Very low | 173 Ų | 173 | 144.4 Ų | 144.4 | 80% | 0.801 | 73% | 0.727 | S | S | * | * | trans | -151.5 | 58.1 | -177.3 | -143.5 | -111.4 | 0 | 0 | 0 | 116.5 | ||||
| 185 | S | 28.8 | Very low | 32.7 | Very low | 95 Ų | 95 | 144.4 Ų | 144.4 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | trans | -141.8 | 87.1 | 159.1 | -89.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 186 | L | 27.5 | Very low | 32 | Very low | 164 Ų | 164 | 144.6 Ų | 144.6 | 86% | 0.859 | 73% | 0.732 | S | S | * | * | trans | 49.6 | 114.2 | 139.7 | -81.1 | 128.5 | 0 | 0 | 0 | 121.7 | H188 | L186-H188 PolarHBondContact O-N 3.27Š| ||
| 187 | R | 27.9 | Very low | 31 | Very low | 218 Ų | 218 | 146 Ų | 146 | 82% | 0.823 | 74% | 0.74 | S | S | * | * | trans | -34.5 | 114.7 | 139.8 | -164.9 | 173.9 | -165.5 | -169.6 | 2.8 | 113.8 | ||||
| 188 | H | 29.3 | Very low | 30.1 | Very low | 173 Ų | 173 | 144 Ų | 144 | 80% | 0.801 | 75% | 0.753 | S | S | * | * | 177.1 | 141.6 | 121.8 | -97.7 | -44.9 | 0 | 0 | 0 | 113.4 | L186 | L186-H188 PolarHBondContact O-N 3.27Š| |||
| 189 | C | 26 | Very low | 29.6 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 70% | 0.703 | 76% | 0.757 | S | S | * | * | trans | -62.8 | 163 | 163.8 | -47.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 190 | D | 25.9 | Very low | 28.9 | Very low | 152 Ų | 152 | 144.7 Ų | 144.7 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | cis | -154.6 | 178.4 | 30.7 | -90.7 | -59 | 0 | 0 | 0 | 111 | ||||
| 191 | D | 24.4 | Very low | 28.5 | Very low | 139 Ų | 139 | 144.2 Ų | 144.2 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | trans | -34.4 | 155.7 | 167.3 | -100.9 | -47.8 | 0 | 0 | 0 | 119.8 | ||||
| 192 | D | 30 | Very low | 28.3 | Very low | 152 Ų | 152 | 140.6 Ų | 140.6 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | 107.1 | 138.8 | 135.5 | -79.3 | -36.1 | 0 | 0 | 0 | 122.8 | ||||
| 193 | G | 26.5 | Very low | 27.9 | Very low | 69 Ų | 69 | 140.6 Ų | 140.6 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | -63.5 | 138.5 | -165.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 194 | R | 27.2 | Very low | 27.3 | Very low | 232 Ų | 232 | 140.8 Ų | 140.8 | 88% | 0.875 | 77% | 0.772 | S | S | * | * | trans | 34.8 | 114 | 138 | -129.1 | -169.7 | -146 | 170.4 | 6.7 | 117.9 | ||||
| 195 | T | 27.5 | Very low | 26.7 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | 175 | 131.1 | 87.7 | 34.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 196 | E | 26.6 | Very low | 26.4 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 73% | 0.729 | 78% | 0.778 | S | S | * | * | trans | 59.9 | 118.9 | 130.4 | -55.6 | -172.3 | -168 | 0 | 0 | 123.3 | ||||
| 197 | N | 26.6 | Very low | 26.7 | Very low | 151 Ų | 151 | 140.9 Ų | 140.9 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | trans | 93.3 | 106.7 | 140 | -56.6 | -27 | 0 | 0 | 0 | 120.2 | ||||
| 198 | G | 26.6 | Very low | 26.4 | Very low | 77 Ų | 77 | 136 Ų | 136 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | 103.1 | 91.5 | 113.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 199 | A | 25.5 | Very low | 26.2 | Very low | 97 Ų | 97 | 131.6 Ų | 131.6 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | trans | 82.2 | 124.9 | 136.6 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 200 | L | 24.4 | Very low | 26.1 | Very low | 170 Ų | 170 | 132.3 Ų | 132.3 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | trans | 60.7 | 116.6 | 145.7 | -88.5 | 84.8 | 0 | 0 | 0 | 122.6 | ||||
| 201 | A | 27 | Very low | 26.2 | Very low | 87 Ų | 87 | 133.3 Ų | 133.3 | 72% | 0.719 | 77% | 0.765 | S | S | * | * | trans | -61.7 | 174.5 | 157.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 202 | P | 33.1 | Very low | 26.4 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | cis | -156.9 | -176.9 | 24.4 | 46.5 | -24.7 | 0 | 0 | 0 | 119.8 | ||||
| 203 | K | 23.1 | Very low | 26.3 | Very low | 172 Ų | 172 | 134.3 Ų | 134.3 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | 88.1 | 127.4 | 147.1 | -75.7 | -172.9 | -175.5 | -173.6 | 0 | 122.8 | ||||
| 204 | Q | 24.4 | Very low | 26.3 | Very low | 158 Ų | 158 | 140 Ų | 140 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | trans | 70.5 | 139.2 | 136.2 | -75.5 | 178.6 | -31.9 | 0 | 0 | 117.7 | ||||
| 205 | E | 22.3 | Very low | 26.6 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | cis | -150.7 | 171.4 | 23.6 | -77.4 | -145.5 | 145.8 | 0 | 0 | 114.9 | ||||
| 206 | L | 22.5 | Very low | 26.8 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | trans | -40.2 | -175.4 | 167.8 | -76.1 | 153 | 0 | 0 | 0 | 117.5 | ||||
| 207 | P | 33.5 | Very low | 26.9 | Very low | 111 Ų | 111 | 132.4 Ų | 132.4 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | cis | -136.7 | -177.4 | -30.4 | 31.4 | -10.2 | 0 | 0 | 0 | 114.6 | ||||
| 208 | S | 22.1 | Very low | 27.1 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 89.5 | 124.5 | 140.9 | -150.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 209 | A | 24.4 | Very low | 27.2 | Very low | 80 Ų | 80 | 136.3 Ų | 136.3 | 66% | 0.661 | 79% | 0.794 | S | S | * | * | 116.4 | 122.7 | 126.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 210 | V | 25.5 | Very low | 27.4 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | 77.6 | 113.3 | 144.2 | -120.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 211 | E | 26.9 | Very low | 27.8 | Very low | 173 Ų | 173 | 138.8 Ų | 138.8 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | trans | 30.2 | 118.7 | 141.1 | -67.2 | 176.3 | 111.1 | 0 | 0 | 120.4 | ||||
| 212 | S | 28.1 | Very low | 27.8 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | -179.4 | 122.2 | 100.6 | -71.1 | 0 | 0 | 0 | 0 | 109.5 | E214 | S212-E214 PolarHBondContact O-N 3.24Š| |||
| 213 | H | 28.1 | Very low | 27.9 | Very low | 196 Ų | 196 | 140.6 Ų | 140.6 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 122.1 | -179.7 | -85.6 | -109.8 | 0 | 0 | 0 | 111.7 | ||
| 214 | E | 26.3 | Very low | 28.3 | Very low | 187 Ų | 187 | 137.9 Ų | 137.9 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 139.9 | 153 | -67.8 | -164 | 142.2 | 0 | 0 | 109.4 | S212 | S212-E214 PolarHBondContact O-N 3.24Š|
| 215 | V | 34.3 | Very low | 28.6 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 120.4 | 175.3 | -174.1 | 0 | 0 | 0 | 0 | 108.3 | ||
| 216 | P | 31 | Very low | 29 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | trans | -106 | 142.4 | 167 | 34.9 | -25.4 | 0 | 0 | 0 | 111.2 | ||||
| 217 | G | 29.3 | Very low | 29.2 | Very low | 73 Ų | 73 | 138.3 Ų | 138.3 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | 143.5 | 69.9 | 158.7 | 0 | 0 | 0 | 0 | 0 | 116 | L219 | G217-L219 PolarHBondContact O-N 3.18Š| ||
| 218 | T | 31.5 | Very low | 29.4 | Very low | 146 Ų | 146 | 142.5 Ų | 142.5 | 90% | 0.896 | 80% | 0.802 | S | S | * | * | trans | -77.9 | 115.6 | 158.9 | 49.4 | 0 | 0 | 0 | 0 | 109.4 | N220 | T218-N220 PolarHBondContact O-N 3.46Š| ||
| 219 | L | 28.8 | Very low | 29.7 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | trans | -58 | 127.1 | 176.3 | -71.3 | 165.5 | 0 | 0 | 0 | 111.7 | G217 M221 | G217-L219 PolarHBondContact O-N 3.18Å; L219-M221 PolarHBondContact O-N 3.07Å; L219-M221 VanDerWaalsContact O-N 3.15Å | ||
| 220 | N | 29.8 | Very low | 30.1 | Very low | 156 Ų | 156 | 145.8 Ų | 145.8 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | -71.5 | 95.7 | 170.5 | -159.3 | 3.3 | 0 | 0 | 0 | 108.1 | T218 S222 | T218-N220 PolarHBondContact O-N 3.46Å; N220-S222 PolarHBondContact O-N 3.26Å | ||
| 221 | M | 31 | Very low | 31 | Very low | 164 Ų | 164 | 149.6 Ų | 149.6 | 81% | 0.808 | 81% | 0.808 | S | S | * | * | trans | -83.5 | 104.3 | 172.9 | -69.8 | -126.4 | 77.4 | 0 | 0 | 109.7 | L219 V223 | L219-M221 PolarHBondContact O-N 3.07Å; L219-M221 VanDerWaalsContact O-N 3.15Å; M221-V223 PolarHBondContact O-N 3.01Å | ||
| 222 | S | 28.6 | Very low | 31 | Very low | 109 Ų | 109 | 146.7 Ų | 146.7 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 122.6 | 168.2 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | N220 | N220-S222 PolarHBondContact O-N 3.26Š|
| 223 | V | 33.7 | Very low | 31.3 | Very low | 124 Ų | 124 | 147.1 Ų | 147.1 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 128.9 | 172.9 | 178.8 | 0 | 0 | 0 | 0 | 108.6 | M221 Q225 | M221-V223 PolarHBondContact O-N 3.01Å; V223-Q225 PolarHBondContact O-N 3.35Å |
| 224 | P | 33.4 | Very low | 31.3 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 133.5 | 174 | -19.8 | 30.8 | 0 | 0 | 0 | 110.9 | I226 | P224-I226 PolarHBondContact O-N 2.66Š|
| 225 | Q | 29.4 | Very low | 31.7 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 131.3 | 177.9 | -71.2 | 179.3 | -12.3 | 0 | 0 | 112 | V223 F227 | V223-Q225 PolarHBondContact O-N 3.35Å; Q225-F227 PolarHBondContact O-N 3.33Å; Q225-F227 VanDerWaalsContact O-N 3.09Å |
| 226 | I | 32 | Very low | 32 | Very low | 145 Ų | 145 | 147.1 Ų | 147.1 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | -68.4 | 103.6 | 168.7 | -63.9 | 165.9 | 0 | 0 | 0 | 107.2 | P224 K228 | P224-I226 PolarHBondContact O-N 2.66Å; I226-K228 PolarHBondContact O-N 3.44Å | ||
| 227 | F | 26.2 | Very low | 32.1 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | -59.3 | 118.4 | 162.5 | -96 | -96 | 0 | 0 | 0 | 108.6 | Q225 Y229 | Q225-F227 PolarHBondContact O-N 3.33Å; Q225-F227 VanDerWaalsContact O-N 3.09Å; F227-Y229 HydrophobicContact CB-CD2 4.4Å; F227-Y229 HydrophobicContact CB-CE2 4.25Å; F227-Y229 PolarHBondContact O-N 3.32Å; F227-Y229 VanDerWaalsContact O-N 3.09Å | ||
| 228 | K | 37.6 | Very low | 32.8 | Very low | 198 Ų | 198 | 150.7 Ų | 150.7 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -67.7 | 99.6 | 167.5 | -68.8 | -169.6 | 178.6 | -178.5 | 0 | 108.4 | I226 G230 | I226-K228 PolarHBondContact O-N 3.44Å; K228-G230 PolarHBondContact O-N 3.14Å | ||
| 229 | Y | 28.6 | Very low | 32.8 | Very low | 208 Ų | 208 | 152.8 Ų | 152.8 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | trans | -82.8 | 107.7 | 158.6 | -82.5 | -83.3 | 0 | 0 | 0 | 108.3 | F227 | F227-Y229 HydrophobicContact CB-CD2 4.4Å; F227-Y229 HydrophobicContact CB-CE2 4.25Å; F227-Y229 PolarHBondContact O-N 3.32Å; F227-Y229 VanDerWaalsContact O-N 3.09Å | ||
| 230 | G | 32.4 | Very low | 33.4 | Very low | 57 Ų | 57 | 152 Ų | 152 | 59% | 0.588 | 78% | 0.779 | S | S | * | * | trans | -60.7 | 142 | 164 | 0 | 0 | 0 | 0 | 0 | 110.8 | K228 T232 | K228-G230 PolarHBondContact O-N 3.14Å; G230-T232 PolarHBondContact O-N 3.36Å | ||
| 231 | E | 43.5 | Very low | 34 | Very low | 199 Ų | 199 | 155.2 Ų | 155.2 | 93% | 0.93 | 78% | 0.779 | S | S | * | * | trans | 33.9 | 84.5 | 145.9 | -56.8 | -176.5 | 155.2 | 0 | 0 | 116.7 | ||||
| 232 | T | 27.8 | Very low | 34.4 | Very low | 113 Ų | 113 | 157.3 Ų | 157.3 | 69% | 0.693 | 78% | 0.783 | S | S | * | * | trans | -108.2 | 111.2 | 147.8 | 60.1 | 0 | 0 | 0 | 0 | 108.3 | G230 F234 | G230-T232 PolarHBondContact O-N 3.36Å; T232-F234 PolarHBondContact O-N 3.37Å; T232-F234 VanDerWaalsContact O-N 3.08Å | ||
| 233 | C | 33.3 | Very low | 35.3 | Very low | 124 Ų | 124 | 163.2 Ų | 163.2 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -42.9 | 115 | 163.3 | -67.1 | 0 | 0 | 0 | 0 | 109.6 | P235 | C233-P235 WeakPolarHBondContact O-CD 3.35Š| ||
| 234 | F | 28 | Very low | 35.5 | Very low | 189 Ų | 189 | 163.9 Ų | 163.9 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | trans | -80.7 | 105.1 | 164.7 | -95.2 | -94.9 | 0 | 0 | 0 | 107.8 | T232 K236 | T232-F234 PolarHBondContact O-N 3.37Å; T232-F234 VanDerWaalsContact O-N 3.08Å; F234-K236 PolarHBondContact O-N 3.49Å | ||
| 235 | P | 34.6 | Very low | 36.3 | Very low | 113 Ų | 113 | 164 Ų | 164 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | -63.8 | 126.1 | 160.1 | 27 | -30.6 | 0 | 0 | 0 | 107.1 | C233 G237 | C233-P235 WeakPolarHBondContact O-CD 3.35Å; P235-G237 PolarHBondContact O-N 3.5Å | ||
| 236 | K | 42.5 | Very low | 37.4 | Very low | 224 Ų | 224 | 159.3 Ų | 159.3 | 97% | 0.974 | 78% | 0.776 | S | S | * | * | trans | -66.1 | 68 | 166.4 | -70.8 | 179.3 | 178.4 | 173.7 | 0 | 109.1 | F234 | F234-K236 PolarHBondContact O-N 3.49Š| ||
| 237 | G | 31.4 | Very low | 38.6 | Very low | 50 Ų | 50 | 164.6 Ų | 164.6 | 52% | 0.515 | 79% | 0.787 | S | S | . | * | trans | -100.8 | 121.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | P235 F239 | P235-G237 PolarHBondContact O-N 3.5Å; G237-F239 VanDerWaalsContact C-N 3.25Å; G237-F239 PolarHBondContact O-N 3.41Å | ||
| 238 | R | 45.3 | Very low | 40.4 | Very low | 222 Ų | 222 | 164.8 Ų | 164.8 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -60.2 | 93.8 | 163.8 | -179.5 | -173.8 | -76.7 | -150.7 | -1.2 | 106.9 | E240 | R238-E240 HydrophobicContact CG-CG 4.44Å; R238-E240 PolarHBondContact O-N 3.22Å | ||
| 239 | F | 31.3 | Very low | 41.7 | Very low | 189 Ų | 189 | 164.3 Ų | 164.3 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | -71.3 | 86.9 | 171.4 | -121.5 | -91.3 | 0 | 0 | 0 | 107.2 | G237 R241 | G237-F239 VanDerWaalsContact C-N 3.25Å; G237-F239 PolarHBondContact O-N 3.41Å; F239-R241 PolarHBondContact O-N 3.28Å | ||
| 240 | E | 41.7 | Very low | 44.1 | Very low | 149 Ų | 149 | 160.3 Ų | 160.3 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | trans | -60.9 | 96.2 | 157.5 | -83.9 | 174.9 | -177.5 | 0 | 0 | 106.7 | R238 K242 | R238-E240 HydrophobicContact CG-CG 4.44Å; R238-E240 PolarHBondContact O-N 3.22Å; E240-K242 VanDerWaalsContact C-N 3.31Å; E240-K242 PolarHBondContact O-N 3.33Å | ||
| 241 | R | 42.9 | Very low | 46.6 | Very low | 223 Ų | 223 | 161 Ų | 161 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | trans | -56.5 | 103.2 | 162 | -76.4 | -175.5 | 170.9 | -174.5 | -3.1 | 106.1 | F239 R243 | F239-R241 PolarHBondContact O-N 3.28Å; R241-R243 VanDerWaalsContact C-N 3.26Å; R241-R243 PolarHBondContact O-N 3.24Å | ||
| 242 | K | 38 | Very low | 48.7 | Very low | 208 Ų | 208 | 155.1 Ų | 155.1 | 90% | 0.904 | 74% | 0.736 | S | S | * | * | trans | -56.6 | 97 | 163.7 | -71.3 | -176.7 | 178.5 | 178.9 | 0 | 106.7 | E240 N244 | E240-K242 VanDerWaalsContact C-N 3.31Å; E240-K242 PolarHBondContact O-N 3.33Å; K242-N244 PolarHBondContact O-N 2.85Å | ||
| 243 | R | 47.3 | Very low | 51.7 | Low | 232 Ų | 232 | 149.8 Ų | 149.8 | 88% | 0.875 | 70% | 0.703 | S | S | * | * | trans | -70.4 | 115 | 174.1 | -83 | -179.4 | 173.4 | 170.9 | -1.3 | 107 | R241 | R241-R243 VanDerWaalsContact C-N 3.26Å; R241-R243 PolarHBondContact O-N 3.24Å | ||
| 244 | N | 38.9 | Very low | 54.4 | Low | 138 Ų | 138 | 151 Ų | 151 | 74% | 0.738 | 70% | 0.701 | S | S | * | * | trans | -62.5 | 123.1 | 164.7 | -157.6 | 4.1 | 0 | 0 | 0 | 108.1 | K242 S246 | K242-N244 PolarHBondContact O-N 2.85Å; N244-S246 PolarHBondContact O-N 2.86Å | ||
| 245 | P | 49.6 | Very low | 57.3 | Low | 116 Ų | 116 | 148.2 Ų | 148.2 | 75% | 0.753 | 69% | 0.691 | S | S | * | * | trans | -85.5 | 63.4 | -176.5 | 35.1 | -32.9 | 0 | 0 | 0 | 110.3 | R247 | P245-R247 PolarHBondContact O-N 3.43Š| ||
| 246 | S | 51.7 | Low | 60 | Low | 81 Ų | 81 | 145.3 Ų | 145.3 | 57% | 0.566 | 67% | 0.673 | S | S | * | * | trans | -71.3 | 114.4 | 157.7 | -49.6 | 0 | 0 | 0 | 0 | 106 | N244 K248 | N244-S246 PolarHBondContact O-N 2.86Å; S246-K248 PolarHBondContact O-N 2.96Å | ||
| 247 | R | 57.2 | Low | 62.2 | Low | 256 Ų | 256 | 136.5 Ų | 136.5 | 97% | 0.966 | 65% | 0.645 | S | S | * | * | trans | -57 | 80.7 | 179.3 | -75.1 | 179.2 | 175.3 | 178 | -1.7 | 110.6 | P245 K249 | P245-R247 PolarHBondContact O-N 3.43Å; R247-K249 PolarHBondContact O-N 3.36Å | ||
| 248 | K | 64.9 | Low | 64.9 | Low | 171 Ų | 171 | 139.8 Ų | 139.8 | 74% | 0.743 | 65% | 0.645 | S | S | * | * | trans | -70.9 | 119.3 | 167.8 | -72.8 | -175.7 | 179.9 | -176.4 | 0 | 106.6 | S246 Q250 | S246-K248 PolarHBondContact O-N 2.96Å; K248-Q250 WeakPolarHBondContact O-CG 3.43Å; K248-Q250 PolarHBondContact O-N 3.01Å | ||
| 249 | K | 65.7 | Low | 67.1 | Low | 189 Ų | 189 | 134.6 Ų | 134.6 | 82% | 0.822 | 63% | 0.63 | S | S | * | * | trans | -53.4 | 115 | 173 | -165.4 | 172.3 | -175.6 | 177.3 | 0 | 107.7 | R247 | R247-K249 PolarHBondContact O-N 3.36Š| ||
| 250 | Q | 78.1 | Confident | 69.9 | Low | 124 Ų | 124 | 127.6 Ų | 127.6 | 58% | 0.579 | 60% | 0.599 | S | S | * | * | trans | -84.3 | 136 | -178.7 | -63.8 | -179 | -6.1 | 0 | 0 | 108.3 | K248 H259 | K248-Q250 WeakPolarHBondContact O-CG 3.43Å; K248-Q250 PolarHBondContact O-N 3.01Å; Q250-H259 PolarHBondContact OE1-CD2 3.43Å | ||
| 251 | H | 84.6 | Confident | 72 | Confident | 70 Ų | 70 | 125.3 Ų | 125.3 | 32% | 0.324 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.5 | 115.4 | 175.3 | -65.6 | -86.9 | 0 | 0 | 0 | 107.8 | F260 G263 L266 | H251-F260 HydrophobicContact CB-CB 4.24Å; H251-F260 PolarHBondContact N-O 3.2Å; H251-F260 PolarHBondContact O-N 3.42Å; H251-G263 PolarHBondContact CD2-N 3.28Å; H251-G263 PolarHBondContact NE2-N 3.45Å; H251-L266 HydrophobicContact CB-CB 3.94Å; H251-L266 HydrophobicContact CB-CD2 3.81Å; H251-L266 HydrophobicContact CB-CG 4.48Å |
| 252 | I | 87.9 | Confident | 74.1 | Confident | 76 Ų | 76 | 120.3 Ų | 120.3 | 39% | 0.39 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.3 | 138.1 | -174.3 | -56.5 | 173.3 | 0 | 0 | 0 | 108.5 | K258 L266 | I252-K258 WeakPolarHBondContact CA-O 3.43Å; I252-L266 WeakPolarHBondContact O-CD2 3.43Å |
| 253 | C | 91.8 | Very high | 76.5 | Confident | 1 Ų | 1 | 111.4 Ų | 111.4 | 1% | 0.007 | 55% | 0.553 | C | S | . | * | trans | -81.8 | 119.9 | 170 | -177 | 0 | 0 | 0 | 0 | 109.9 | E255 G257 K258 F260 L266 H269 | C253-E255 PolarHBondContact O-N 3.07Å; C253-G257 WeakPolarHBondContact O-CA 3.3Å; C253-G257 PolarHBondContact O-N 3Å; C253-K258 PolarHBondContact N-O 2.88Å; C253-F260 HydrophobicContact CB-CE2 4.14Å; C253-L266 VanDerWaalsContact CA-CD1 3.5Å; C253-L266 HydrophobicContact CB-CD1 3.6Å; C253-H269 VanDerWaalsContact SG-CD2 3.56Å; C253-H269 PolarHBondContact SG-NE2 2.84Å; C253-H269 VanDerWaalsContact SG-NE2 3.42Å | ||
| 254 | D | 88.8 | Confident | 78.4 | Confident | 149 Ų | 149 | 103.9 Ų | 103.9 | 80% | 0.797 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -25.4 | -178.6 | -59.9 | -39.8 | 0 | 0 | 0 | 112.7 | ||
| 255 | E | 89.8 | Confident | 80.8 | Confident | 132 Ų | 132 | 99 Ų | 99 | 62% | 0.617 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -32.6 | -178.2 | -67.4 | -170.3 | -137.8 | 0 | 0 | 114.6 | C253 H273 | C253-E255 PolarHBondContact O-N 3.07Å; E255-H273 VanDerWaalsContact CD-CB 3.46Å; E255-H273 WeakPolarHBondContact OE1-CB 3.14Å; E255-H273 IonicContact OE1-CG 3.43Å; E255-H273 WeakPolarHBondContact OE2-CB 3.25Å; E255-H273 IonicContact OE2-CE1 3.88Å; E255-H273 IonicContact OE2-CG 2.77Å; E255-H273 IonicContact OE2-ND1 3.74Å; E255-H273 PolarHBondContact OE2-ND1 2.87Å |
| 256 | C | 91.4 | Very high | 82.8 | Confident | 52 Ų | 52 | 94.3 Ų | 94.3 | 35% | 0.351 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.4 | 5.4 | -177.3 | 71.2 | 0 | 0 | 0 | 0 | 115.1 | K258 H269 H273 | C256-K258 PolarHBondContact O-N 3.19Å; C256-K258 VanDerWaalsContact O-N 3.08Å; C256-K258 VanDerWaalsContact SG-CG 3.54Å; C256-H269 PolarHBondContact SG-NE2 3.07Å; C256-H273 PolarHBondContact SG-NE2 3.44Å |
| 257 | G | 87.8 | Confident | 84.5 | Confident | 38 Ų | 38 | 95 Ų | 95 | 39% | 0.392 | 48% | 0.48 | S | S | . | . | trans | 64.1 | 12 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | C253 H259 | C253-G257 WeakPolarHBondContact O-CA 3.3Å; C253-G257 PolarHBondContact O-N 3Å; G257-H259 PolarHBondContact O-CE1 3.23Å; G257-H259 VanDerWaalsContact O-CE1 3.25Å; G257-H259 PolarHBondContact O-ND1 3.42Å | ||
| 258 | K | 88.6 | Confident | 86 | Confident | 119 Ų | 119 | 84.7 Ų | 84.7 | 52% | 0.517 | 44% | 0.444 | S | S | . | . | trans | -72.2 | 137.5 | 179.9 | -75.4 | 179.2 | -173.3 | 170.8 | 0 | 110.7 | I252 C253 C256 F260 | I252-K258 WeakPolarHBondContact CA-O 3.43Å; C253-K258 PolarHBondContact N-O 2.88Å; C256-K258 PolarHBondContact O-N 3.19Å; C256-K258 VanDerWaalsContact O-N 3.08Å; C256-K258 VanDerWaalsContact SG-CG 3.54Å; K258-F260 HydrophobicContact CB-CE2 3.66Å; K258-F260 HydrophobicContact CB-CZ 3.85Å; K258-F260 WeakPolarHBondContact O-CD2 3.46Å; K258-F260 WeakPolarHBondContact O-CE2 3.35Å | ||
| 259 | H | 91.3 | Very high | 87.2 | Confident | 114 Ų | 114 | 77.2 Ų | 77.2 | 53% | 0.528 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 133.4 | -178 | -61.5 | 70.3 | 0 | 0 | 0 | 110.5 | Q250 G257 | Q250-H259 PolarHBondContact OE1-CD2 3.43Å; G257-H259 PolarHBondContact O-CE1 3.23Å; G257-H259 VanDerWaalsContact O-CE1 3.25Å; G257-H259 PolarHBondContact O-ND1 3.42Å |
| 260 | F | 89.6 | Confident | 88.3 | Confident | 41 Ų | 41 | 71.7 Ų | 71.7 | 18% | 0.18 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 143.1 | 179.8 | -60.9 | -86.3 | 0 | 0 | 0 | 110.3 | H251 C253 K258 Q262 A265 L266 H269 | H251-F260 HydrophobicContact CB-CB 4.24Å; H251-F260 PolarHBondContact N-O 3.2Å; H251-F260 PolarHBondContact O-N 3.42Å; C253-F260 HydrophobicContact CB-CE2 4.14Å; K258-F260 HydrophobicContact CB-CE2 3.66Å; K258-F260 HydrophobicContact CB-CZ 3.85Å; K258-F260 WeakPolarHBondContact O-CD2 3.46Å; K258-F260 WeakPolarHBondContact O-CE2 3.35Å; F260-Q262 VanDerWaalsContact C-N 3.3Å; F260-A265 HydrophobicContact CB-CB 4.31Å; F260-A265 HydrophobicContact CD1-CB 3.98Å; F260-A265 HydrophobicContact CG-CB 4.47Å; F260-L266 HydrophobicContact CB-CB 4.27Å; F260-L266 HydrophobicContact CD2-CB 4Å; F260-L266 HydrophobicContact CD2-CD1 3.78Å; F260-L266 HydrophobicContact CE2-CD1 3.97Å; F260-L266 HydrophobicContact CG-CB 4.24Å; F260-H269 HydrophobicContact CE1-CB 3.8Å; F260-H269 AromaticContact CE1-CG 3.99Å; F260-H269 HydrophobicContact CE2-CB 4Å; F260-H269 AromaticContact CE2-CD2 3.33Å; F260-H269 WeakPolarHBondContact CE2-CD2 3.38Å; F260-H269 AromaticContact CE2-CG 3.69Å; F260-H269 HydrophobicContact CZ-CB 3.43Å; F260-H269 VanDerWaalsContact CZ-CB 3.43Å; F260-H269 AromaticContact CZ-CD2 3.3Å; F260-H269 WeakPolarHBondContact CZ-CD2 3.39Å; F260-H269 AromaticContact CZ-CG 3.16Å; F260-H269 AromaticContact CZ-ND1 3.77Å; F260-H269 AromaticContact CZ-NE2 3.92Å |
| 261 | S | 86.6 | Confident | 88.9 | Confident | 102 Ų | 102 | 68.5 Ų | 68.5 | 71% | 0.713 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -78 | -15.2 | 177.7 | 52.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 262 | Q | 87.4 | Confident | 89.1 | Confident | 117 Ų | 117 | 70.9 Ų | 70.9 | 55% | 0.547 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -140.3 | 142 | -176.9 | -60.4 | 179.5 | 20.3 | 0 | 0 | 109.9 | F260 S264 A265 L266 | F260-Q262 VanDerWaalsContact C-N 3.3Å; Q262-S264 VanDerWaalsContact C-N 3.33Å; Q262-S264 PolarHBondContact O-N 3.49Å; Q262-S264 PolarHBondContact OE1-OG 2.73Å; Q262-A265 HydrophobicContact CB-CB 4.38Å; Q262-A265 WeakPolarHBondContact O-CB 3.42Å; Q262-A265 PolarHBondContact O-N 3.41Å; Q262-L266 PolarHBondContact O-N 2.69Å |
| 263 | G | 88.4 | Confident | 89.2 | Confident | 21 Ų | 21 | 70.3 Ų | 70.3 | 22% | 0.216 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.2 | -35.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | H251 A265 L266 I267 | H251-G263 PolarHBondContact CD2-N 3.28Å; H251-G263 PolarHBondContact NE2-N 3.45Å; G263-A265 VanDerWaalsContact C-N 3.28Å; G263-A265 PolarHBondContact O-N 2.93Å; G263-L266 WeakPolarHBondContact O-CB 3.48Å; G263-L266 PolarHBondContact O-N 3.31Å; G263-L266 VanDerWaalsContact O-N 3.11Å; G263-I267 WeakPolarHBondContact O-CG1 3.22Å; G263-I267 PolarHBondContact O-N 2.63Å |
| 264 | S | 87.6 | Confident | 89 | Confident | 75 Ų | 75 | 73.4 Ų | 73.4 | 52% | 0.524 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.7 | -38.5 | 174 | 55.5 | 0 | 0 | 0 | 0 | 112.6 | Q262 L268 | Q262-S264 VanDerWaalsContact C-N 3.33Å; Q262-S264 PolarHBondContact O-N 3.49Å; Q262-S264 PolarHBondContact OE1-OG 2.73Å; S264-L268 WeakPolarHBondContact O-CB 3.42Å; S264-L268 PolarHBondContact O-N 3.34Å |
| 265 | A | 88.4 | Confident | 89 | Confident | 34 Ų | 34 | 68.5 Ų | 68.5 | 28% | 0.281 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.9 | -35.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F260 Q262 G263 H269 | F260-A265 HydrophobicContact CB-CB 4.31Å; F260-A265 HydrophobicContact CD1-CB 3.98Å; F260-A265 HydrophobicContact CG-CB 4.47Å; Q262-A265 HydrophobicContact CB-CB 4.38Å; Q262-A265 WeakPolarHBondContact O-CB 3.42Å; Q262-A265 PolarHBondContact O-N 3.41Å; G263-A265 VanDerWaalsContact C-N 3.28Å; G263-A265 PolarHBondContact O-N 2.93Å; A265-H269 VanDerWaalsContact O-CB 3.27Å; A265-H269 WeakPolarHBondContact O-CB 3.3Å; A265-H269 PolarHBondContact O-N 2.81Å |
| 266 | L | 90.6 | Very high | 88.9 | Confident | 19 Ų | 19 | 67.7 Ų | 67.7 | 10% | 0.099 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.9 | -49.9 | 172.9 | 171.9 | 62.2 | 0 | 0 | 0 | 111.2 | H251 I252 C253 F260 Q262 G263 L268 H269 Q270 | H251-L266 HydrophobicContact CB-CB 3.94Å; H251-L266 HydrophobicContact CB-CD2 3.81Å; H251-L266 HydrophobicContact CB-CG 4.48Å; I252-L266 WeakPolarHBondContact O-CD2 3.43Å; C253-L266 VanDerWaalsContact CA-CD1 3.5Å; C253-L266 HydrophobicContact CB-CD1 3.6Å; F260-L266 HydrophobicContact CB-CB 4.27Å; F260-L266 HydrophobicContact CD2-CB 4Å; F260-L266 HydrophobicContact CD2-CD1 3.78Å; F260-L266 HydrophobicContact CE2-CD1 3.97Å; F260-L266 HydrophobicContact CG-CB 4.24Å; Q262-L266 PolarHBondContact O-N 2.69Å; G263-L266 WeakPolarHBondContact O-CB 3.48Å; G263-L266 PolarHBondContact O-N 3.31Å; G263-L266 VanDerWaalsContact O-N 3.11Å; L266-L268 VanDerWaalsContact C-N 3.26Å; L266-L268 PolarHBondContact O-N 3.06Å; L266-H269 CarbonylContact O-C 3.55Å; L266-H269 WeakPolarHBondContact O-CA 3.44Å; L266-H269 WeakPolarHBondContact O-CB 3.48Å; L266-H269 PolarHBondContact O-N 3.25Å; L266-Q270 HydrophobicContact CD1-CG 4.13Å; L266-Q270 HydrophobicContact CG-CG 4.45Å; L266-Q270 WeakPolarHBondContact O-CG 2.98Å; L266-Q270 PolarHBondContact O-N 3.45Å |
| 267 | I | 88.3 | Confident | 88.9 | Confident | 95 Ų | 95 | 71.3 Ų | 71.3 | 49% | 0.487 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -56.5 | -44.7 | 178.3 | -66.8 | 165.8 | 0 | 0 | 0 | 110.4 | G263 H269 Q270 R271 | G263-I267 WeakPolarHBondContact O-CG1 3.22Å; G263-I267 PolarHBondContact O-N 2.63Å; I267-H269 VanDerWaalsContact C-N 3.28Å; I267-H269 PolarHBondContact O-N 3.43Å; I267-Q270 WeakPolarHBondContact O-CB 3.02Å; I267-Q270 PolarHBondContact O-N 3.17Å; I267-R271 PolarHBondContact O-N 2.99Å |
| 268 | L | 88.5 | Confident | 89 | Confident | 40 Ų | 40 | 73.1 Ų | 73.1 | 21% | 0.209 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -67.2 | -32.1 | 178.8 | -178.2 | 54.9 | 0 | 0 | 0 | 113.1 | S264 L266 R290 | S264-L268 WeakPolarHBondContact O-CB 3.42Å; S264-L268 PolarHBondContact O-N 3.34Å; L266-L268 VanDerWaalsContact C-N 3.26Å; L266-L268 PolarHBondContact O-N 3.06Å; L268-R290 HydrophobicContact CD1-CG 3.51Å; L268-R290 HydrophobicContact CD2-CG 4.14Å; L268-R290 VanDerWaalsContact CD2-NH2 3.3Å; L268-R290 HydrophobicContact CG-CG 4.32Å |
| 269 | H | 89.6 | Confident | 89.2 | Confident | 14 Ų | 14 | 71.4 Ų | 71.4 | 7% | 0.065 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -71.7 | -38.1 | 173.7 | 168 | 64.2 | 0 | 0 | 0 | 112 | C253 C256 F260 A265 L266 I267 R271 I272 H273 | C253-H269 VanDerWaalsContact SG-CD2 3.56Å; C253-H269 PolarHBondContact SG-NE2 2.84Å; C253-H269 VanDerWaalsContact SG-NE2 3.42Å; C256-H269 PolarHBondContact SG-NE2 3.07Å; F260-H269 HydrophobicContact CE1-CB 3.8Å; F260-H269 AromaticContact CE1-CG 3.99Å; F260-H269 HydrophobicContact CE2-CB 4Å; F260-H269 AromaticContact CE2-CD2 3.33Å; F260-H269 WeakPolarHBondContact CE2-CD2 3.38Å; F260-H269 AromaticContact CE2-CG 3.69Å; F260-H269 HydrophobicContact CZ-CB 3.43Å; F260-H269 VanDerWaalsContact CZ-CB 3.43Å; F260-H269 AromaticContact CZ-CD2 3.3Å; F260-H269 WeakPolarHBondContact CZ-CD2 3.39Å; F260-H269 AromaticContact CZ-CG 3.16Å; F260-H269 AromaticContact CZ-ND1 3.77Å; F260-H269 AromaticContact CZ-NE2 3.92Å; A265-H269 VanDerWaalsContact O-CB 3.27Å; A265-H269 WeakPolarHBondContact O-CB 3.3Å; A265-H269 PolarHBondContact O-N 2.81Å; L266-H269 CarbonylContact O-C 3.55Å; L266-H269 WeakPolarHBondContact O-CA 3.44Å; L266-H269 WeakPolarHBondContact O-CB 3.48Å; L266-H269 PolarHBondContact O-N 3.25Å; I267-H269 VanDerWaalsContact C-N 3.28Å; I267-H269 PolarHBondContact O-N 3.43Å; H269-R271 PolarHBondContact O-N 2.92Å; H269-I272 WeakPolarHBondContact O-CB 3.3Å; H269-I272 WeakPolarHBondContact O-CG1 3.39Å; H269-I272 PolarHBondContact O-N 2.89Å; H269-H273 AromaticContact CE1-CD2 3.97Å; H269-H273 AromaticContact CE1-NE2 3.54Å; H269-H273 AromaticContact NE2-CD2 3.74Å; H269-H273 AromaticContact NE2-NE2 3.31Å; H269-H273 PolarHBondContact NE2-NE2 3.12Å |
| 270 | Q | 88.9 | Confident | 89.2 | Confident | 73 Ų | 73 | 68 Ų | 68 | 34% | 0.341 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.7 | -29.6 | 175.4 | -74.6 | 171.4 | -31.7 | 0 | 0 | 112.2 | L266 I267 I272 H273 S274 | L266-Q270 HydrophobicContact CD1-CG 4.13Å; L266-Q270 HydrophobicContact CG-CG 4.45Å; L266-Q270 WeakPolarHBondContact O-CG 2.98Å; L266-Q270 PolarHBondContact O-N 3.45Å; I267-Q270 WeakPolarHBondContact O-CB 3.02Å; I267-Q270 PolarHBondContact O-N 3.17Å; Q270-I272 PolarHBondContact O-N 3.33Å; Q270-I272 VanDerWaalsContact O-N 3.1Å; Q270-H273 WeakPolarHBondContact O-CA 3.45Å; Q270-H273 VanDerWaalsContact O-CB 3.3Å; Q270-H273 WeakPolarHBondContact O-CB 3.35Å; Q270-H273 PolarHBondContact O-N 2.91Å; Q270-S274 PolarHBondContact O-N 2.98Å; Q270-S274 PolarHBondContact O-OG 3.41Å |
| 271 | R | 90.7 | Very high | 89.4 | Confident | 57 Ų | 57 | 66.2 Ų | 66.2 | 22% | 0.215 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.9 | -21.2 | 172 | -63.4 | -173.8 | -174.5 | 155.1 | 3.9 | 114.6 | I267 H269 H273 S274 G275 E276 S289 | I267-R271 PolarHBondContact O-N 2.99Å; H269-R271 PolarHBondContact O-N 2.92Å; R271-H273 VanDerWaalsContact C-N 3.29Å; R271-S274 WeakPolarHBondContact CA-OG 3.4Å; R271-G275 WeakPolarHBondContact O-CA 3.42Å; R271-G275 PolarHBondContact O-N 2.93Å; R271-E276 HydrophobicContact CB-CB 4.45Å; R271-E276 HydrophobicContact CG-CB 4.25Å; R271-E276 PolarHBondContact O-N 3.45Å; R271-S289 PolarHBondContact NH1-O 2.95Å |
| 272 | I | 89.2 | Confident | 89.6 | Confident | 119 Ų | 119 | 68.2 Ų | 68.2 | 61% | 0.61 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -70.5 | -34.3 | 174.1 | -58 | 176.4 | 0 | 0 | 0 | 110.2 | H269 Q270 | H269-I272 WeakPolarHBondContact O-CB 3.3Å; H269-I272 WeakPolarHBondContact O-CG1 3.39Å; H269-I272 PolarHBondContact O-N 2.89Å; Q270-I272 PolarHBondContact O-N 3.33Å; Q270-I272 VanDerWaalsContact O-N 3.1Å |
| 273 | H | 89.6 | Confident | 89.7 | Confident | 65 Ų | 65 | 68.2 Ų | 68.2 | 30% | 0.301 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -79.7 | -49.8 | -179.9 | -72.2 | -79.9 | 0 | 0 | 0 | 111.9 | E255 C256 H269 Q270 R271 G275 | E255-H273 VanDerWaalsContact CD-CB 3.46Å; E255-H273 WeakPolarHBondContact OE1-CB 3.14Å; E255-H273 IonicContact OE1-CG 3.43Å; E255-H273 WeakPolarHBondContact OE2-CB 3.25Å; E255-H273 IonicContact OE2-CE1 3.88Å; E255-H273 IonicContact OE2-CG 2.77Å; E255-H273 IonicContact OE2-ND1 3.74Å; E255-H273 PolarHBondContact OE2-ND1 2.87Å; C256-H273 PolarHBondContact SG-NE2 3.44Å; H269-H273 AromaticContact CE1-CD2 3.97Å; H269-H273 AromaticContact CE1-NE2 3.54Å; H269-H273 AromaticContact NE2-CD2 3.74Å; H269-H273 AromaticContact NE2-NE2 3.31Å; H269-H273 PolarHBondContact NE2-NE2 3.12Å; Q270-H273 WeakPolarHBondContact O-CA 3.45Å; Q270-H273 VanDerWaalsContact O-CB 3.3Å; Q270-H273 WeakPolarHBondContact O-CB 3.35Å; Q270-H273 PolarHBondContact O-N 2.91Å; R271-H273 VanDerWaalsContact C-N 3.29Å; H273-G275 PolarHBondContact O-N 3.33Å |
| 274 | S | 87.9 | Confident | 89.9 | Confident | 66 Ų | 66 | 69.6 Ų | 69.6 | 46% | 0.462 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -71.7 | -18 | 177.9 | 64.8 | 0 | 0 | 0 | 0 | 113.4 | Q270 R271 E276 | Q270-S274 PolarHBondContact O-N 2.98Å; Q270-S274 PolarHBondContact O-OG 3.41Å; R271-S274 WeakPolarHBondContact CA-OG 3.4Å; S274-E276 PolarHBondContact O-N 2.86Å; S274-E276 WeakPolarHBondContact OG-CB 3.32Å; S274-E276 WeakPolarHBondContact OG-CG 3.31Å; S274-E276 PolarHBondContact OG-N 3.39Å |
| 275 | G | 88.1 | Confident | 90 | Very high | 46 Ų | 46 | 69.1 Ų | 69.1 | 47% | 0.474 | 40% | 0.397 | S | S | . | . | trans | 71.6 | 7.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R271 H273 K277 | R271-G275 WeakPolarHBondContact O-CA 3.42Å; R271-G275 PolarHBondContact O-N 2.93Å; H273-G275 PolarHBondContact O-N 3.33Å; G275-K277 PolarHBondContact O-N 3.32Å | ||
| 276 | E | 89.4 | Confident | 90.2 | Very high | 114 Ų | 114 | 73.5 Ų | 73.5 | 53% | 0.533 | 41% | 0.41 | S | S | . | . | trans | -59.6 | 126.6 | 179.9 | -78.7 | 176.7 | -168.6 | 0 | 0 | 112 | R271 S274 | R271-E276 HydrophobicContact CB-CB 4.45Å; R271-E276 HydrophobicContact CG-CB 4.25Å; R271-E276 PolarHBondContact O-N 3.45Å; S274-E276 PolarHBondContact O-N 2.86Å; S274-E276 WeakPolarHBondContact OG-CB 3.32Å; S274-E276 WeakPolarHBondContact OG-CG 3.31Å; S274-E276 PolarHBondContact OG-N 3.39Å | ||
| 277 | K | 91.4 | Very high | 90.3 | Very high | 129 Ų | 129 | 74.4 Ų | 74.4 | 56% | 0.561 | 42% | 0.42 | S | S | * | . | trans | -131 | 79.4 | 179.7 | -72.8 | 165.5 | 169.5 | -167.8 | 0 | 109.8 | G275 Y279 A287 F288 | G275-K277 PolarHBondContact O-N 3.32Å; K277-Y279 PolarHBondContact O-N 2.94Å; K277-Y279 VanDerWaalsContact O-N 3.16Å; K277-A287 HydrophobicContact CB-CB 3.58Å; K277-A287 HydrophobicContact CD-CB 4.3Å; K277-A287 WeakPolarHBondContact CD-O 3.45Å; K277-F288 CarbonylContact C-O 3.28Å; K277-F288 VanDerWaalsContact C-O 3.28Å; K277-F288 VanDerWaalsContact CA-O 3.28Å; K277-F288 WeakPolarHBondContact CA-O 3.4Å | ||
| 278 | P | 89.3 | Confident | 90.5 | Very high | 76 Ų | 76 | 71.7 Ų | 71.7 | 49% | 0.494 | 41% | 0.405 | S | S | . | . | trans | -66.2 | -18.2 | -174 | -21.6 | 34.2 | 0 | 0 | 0 | 114.1 | ||||
| 279 | Y | 92.1 | Very high | 90.6 | Very high | 83 Ų | 83 | 71.6 Ų | 71.6 | 33% | 0.325 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 97 | -169.2 | -56.5 | -78.3 | 0 | 0 | 0 | 110.7 | K277 A287 F288 R290 | K277-Y279 PolarHBondContact O-N 2.94Å; K277-Y279 VanDerWaalsContact O-N 3.16Å; Y279-A287 CarbonylContact O-C 3.5Å; Y279-A287 WeakPolarHBondContact O-CA 3.41Å; Y279-F288 WeakPolarHBondContact CB-O 3.38Å; Y279-F288 WeakPolarHBondContact CD2-O 3.48Å; Y279-F288 PolarHBondContact N-O 3.45Å; Y279-F288 VanDerWaalsContact N-O 3.11Å; Y279-F288 PolarHBondContact O-N 3.15Å; Y279-R290 VanDerWaalsContact CD2-C 3.43Å |
| 280 | G | 91.9 | Very high | 90.6 | Very high | 42 Ų | 42 | 76.3 Ų | 76.3 | 43% | 0.433 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 139.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L294 | G280-L294 WeakPolarHBondContact O-CD2 3.26Å |
| 281 | C | 93.3 | Very high | 90.6 | Very high | 4 Ų | 4 | 75.8 Ų | 75.8 | 3% | 0.027 | 43% | 0.429 | C | S | . | . | trans | -82.7 | 121.7 | 164.7 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | E283 C284 G285 K286 F288 L294 | C281-E283 VanDerWaalsContact C-N 3.28Å; C281-E283 PolarHBondContact O-N 2.9Å; C281-C284 VanDerWaalsContact SG-SG 3.6Å; C281-G285 WeakPolarHBondContact O-CA 3.27Å; C281-G285 PolarHBondContact O-N 2.97Å; C281-K286 WeakPolarHBondContact CB-O 3.38Å; C281-K286 PolarHBondContact N-O 3.09Å; C281-F288 HydrophobicContact CB-CE2 4.33Å; C281-L294 HydrophobicContact CB-CD1 3.65Å | ||
| 282 | V | 91 | Very high | 90.6 | Very high | 143 Ų | 143 | 76.6 Ų | 76.6 | 87% | 0.867 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -34.3 | -179.9 | -177.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 283 | E | 90.4 | Very high | 90.7 | Very high | 117 Ų | 117 | 74 Ų | 74 | 55% | 0.547 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -34.4 | -173.3 | -61.5 | -176.1 | -139.4 | 0 | 0 | 114.2 | C281 H301 | C281-E283 VanDerWaalsContact C-N 3.28Å; C281-E283 PolarHBondContact O-N 2.9Å; E283-H301 WeakPolarHBondContact OE2-CB 3.22Å; E283-H301 IonicContact OE2-CD2 2.81Å; E283-H301 IonicContact OE2-CG 3.02Å; E283-H301 IonicContact OE2-ND1 3.23Å; E283-H301 PolarHBondContact OE2-ND1 2.84Å |
| 284 | C | 92.4 | Very high | 90.8 | Very high | 51 Ų | 51 | 72 Ų | 72 | 35% | 0.345 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.3 | 5.3 | -177.9 | 69 | 0 | 0 | 0 | 0 | 114.9 | C281 K286 H297 H301 | C281-C284 VanDerWaalsContact SG-SG 3.6Å; C284-K286 PolarHBondContact O-N 3.14Å; C284-H297 PolarHBondContact SG-NE2 3.37Å; C284-H301 PolarHBondContact SG-NE2 3.02Å; C284-H301 VanDerWaalsContact SG-NE2 3.43Å |
| 285 | G | 89.9 | Confident | 91 | Very high | 64 Ų | 64 | 72.4 Ų | 72.4 | 66% | 0.66 | 42% | 0.421 | S | S | * | . | trans | 67 | 2.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | C281 A287 | C281-G285 WeakPolarHBondContact O-CA 3.27Å; C281-G285 PolarHBondContact O-N 2.97Å; G285-A287 PolarHBondContact O-N 2.86Å | ||
| 286 | K | 92.8 | Very high | 91.1 | Very high | 127 Ų | 127 | 73.3 Ų | 73.3 | 55% | 0.552 | 41% | 0.413 | S | S | * | . | trans | -72.3 | 130.1 | -179.6 | -71.7 | 179.6 | -176.6 | 171.5 | 0 | 110.8 | C281 C284 F288 | C281-K286 WeakPolarHBondContact CB-O 3.38Å; C281-K286 PolarHBondContact N-O 3.09Å; C284-K286 PolarHBondContact O-N 3.14Å; K286-F288 HydrophobicContact CB-CE2 4.05Å; K286-F288 HydrophobicContact CB-CZ 4.04Å; K286-F288 WeakPolarHBondContact O-CE2 3.48Å | ||
| 287 | A | 92.3 | Very high | 91.3 | Very high | 38 Ų | 38 | 69.2 Ų | 69.2 | 31% | 0.314 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 145.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | K277 Y279 G285 | K277-A287 HydrophobicContact CB-CB 3.58Å; K277-A287 HydrophobicContact CD-CB 4.3Å; K277-A287 WeakPolarHBondContact CD-O 3.45Å; Y279-A287 CarbonylContact O-C 3.5Å; Y279-A287 WeakPolarHBondContact O-CA 3.41Å; G285-A287 PolarHBondContact O-N 2.86Å |
| 288 | F | 92 | Very high | 91.3 | Very high | 38 Ų | 38 | 66.5 Ų | 66.5 | 17% | 0.167 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 152.5 | -176.6 | -56.9 | -83.5 | 0 | 0 | 0 | 111.5 | K277 Y279 C281 K286 R290 I293 L294 H297 | K277-F288 CarbonylContact C-O 3.28Å; K277-F288 VanDerWaalsContact C-O 3.28Å; K277-F288 VanDerWaalsContact CA-O 3.28Å; K277-F288 WeakPolarHBondContact CA-O 3.4Å; Y279-F288 WeakPolarHBondContact CB-O 3.38Å; Y279-F288 WeakPolarHBondContact CD2-O 3.48Å; Y279-F288 PolarHBondContact N-O 3.45Å; Y279-F288 VanDerWaalsContact N-O 3.11Å; Y279-F288 PolarHBondContact O-N 3.15Å; C281-F288 HydrophobicContact CB-CE2 4.33Å; K286-F288 HydrophobicContact CB-CE2 4.05Å; K286-F288 HydrophobicContact CB-CZ 4.04Å; K286-F288 WeakPolarHBondContact O-CE2 3.48Å; F288-R290 VanDerWaalsContact C-N 3.33Å; F288-I293 HydrophobicContact CB-CB 4.46Å; F288-I293 HydrophobicContact CB-CG2 4.43Å; F288-I293 HydrophobicContact CD1-CB 4.42Å; F288-I293 HydrophobicContact CD1-CG2 3.53Å; F288-I293 HydrophobicContact CE1-CG2 4.09Å; F288-I293 HydrophobicContact CG-CG2 4.15Å; F288-L294 HydrophobicContact CD2-CB 3.94Å; F288-L294 HydrophobicContact CD2-CD1 3.82Å; F288-L294 HydrophobicContact CD2-CG 4.5Å; F288-L294 HydrophobicContact CE2-CD1 3.97Å; F288-L294 HydrophobicContact CG-CB 4.48Å; F288-H297 HydrophobicContact CE1-CB 4.24Å; F288-H297 HydrophobicContact CE2-CB 3.87Å; F288-H297 AromaticContact CE2-CD2 3.35Å; F288-H297 WeakPolarHBondContact CE2-CD2 3.43Å; F288-H297 AromaticContact CE2-CG 3.64Å; F288-H297 HydrophobicContact CZ-CB 3.59Å; F288-H297 AromaticContact CZ-CD2 3.37Å; F288-H297 WeakPolarHBondContact CZ-CD2 3.04Å; F288-H297 AromaticContact CZ-CG 3.26Å; F288-H297 AromaticContact CZ-ND1 3.77Å; F288-H297 AromaticContact CZ-NE2 3.87Å |
| 289 | S | 89.8 | Confident | 91.4 | Very high | 37 Ų | 37 | 65.5 Ų | 65.5 | 26% | 0.259 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -82 | -11.3 | 179.5 | 57.3 | 0 | 0 | 0 | 0 | 113.8 | R271 | R271-S289 PolarHBondContact NH1-O 2.95Š|
| 290 | R | 89.5 | Confident | 91.4 | Very high | 113 Ų | 113 | 66.6 Ų | 66.6 | 43% | 0.426 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -137.4 | 137.6 | -177.8 | -65.1 | 177.3 | -171 | -158.6 | -6.5 | 110.3 | L268 Y279 F288 S292 I293 L294 | L268-R290 HydrophobicContact CD1-CG 3.51Å; L268-R290 HydrophobicContact CD2-CG 4.14Å; L268-R290 VanDerWaalsContact CD2-NH2 3.3Å; L268-R290 HydrophobicContact CG-CG 4.32Å; Y279-R290 VanDerWaalsContact CD2-C 3.43Å; F288-R290 VanDerWaalsContact C-N 3.33Å; R290-S292 VanDerWaalsContact C-N 3.34Å; R290-S292 PolarHBondContact O-N 3.45Å; R290-I293 HydrophobicContact CB-CB 4.37Å; R290-I293 HydrophobicContact CB-CG1 3.89Å; R290-I293 PolarHBondContact O-N 3.17Å; R290-L294 PolarHBondContact O-N 2.74Å |
| 291 | S | 90.5 | Very high | 91.4 | Very high | 62 Ų | 62 | 67.9 Ų | 67.9 | 43% | 0.434 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 174.9 | 54.5 | 0 | 0 | 0 | 0 | 112.5 | I293 L294 V295 | S291-I293 PolarHBondContact O-N 3.05Å; S291-L294 WeakPolarHBondContact O-CA 3.16Å; S291-L294 WeakPolarHBondContact O-CB 3.32Å; S291-L294 PolarHBondContact O-N 3.26Å; S291-V295 PolarHBondContact O-N 3.37Å |
| 292 | S | 89.2 | Confident | 91.2 | Very high | 74 Ų | 74 | 71.5 Ų | 71.5 | 52% | 0.517 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61 | -31.3 | 179.1 | 57 | 0 | 0 | 0 | 0 | 113.5 | R290 Q296 | R290-S292 VanDerWaalsContact C-N 3.34Å; R290-S292 PolarHBondContact O-N 3.45Å; S292-Q296 WeakPolarHBondContact O-CB 3.41Å; S292-Q296 PolarHBondContact O-N 3.35Å; S292-Q296 VanDerWaalsContact O-N 3.09Å |
| 293 | I | 91.3 | Very high | 91.2 | Very high | 65 Ų | 65 | 66.8 Ų | 66.8 | 33% | 0.333 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -76 | -35.8 | 175.8 | -57.1 | -61.3 | 0 | 0 | 0 | 110.7 | F288 R290 S291 Q296 H297 | F288-I293 HydrophobicContact CB-CB 4.46Å; F288-I293 HydrophobicContact CB-CG2 4.43Å; F288-I293 HydrophobicContact CD1-CB 4.42Å; F288-I293 HydrophobicContact CD1-CG2 3.53Å; F288-I293 HydrophobicContact CE1-CG2 4.09Å; F288-I293 HydrophobicContact CG-CG2 4.15Å; R290-I293 HydrophobicContact CB-CB 4.37Å; R290-I293 HydrophobicContact CB-CG1 3.89Å; R290-I293 PolarHBondContact O-N 3.17Å; S291-I293 PolarHBondContact O-N 3.05Å; I293-Q296 PolarHBondContact O-N 3.06Å; I293-H297 VanDerWaalsContact O-CB 3.25Å; I293-H297 WeakPolarHBondContact O-CB 3.31Å; I293-H297 PolarHBondContact O-N 2.82Å |
| 294 | L | 92.7 | Very high | 91.2 | Very high | 22 Ų | 22 | 66.2 Ų | 66.2 | 12% | 0.115 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.8 | -48.3 | 171.9 | 171.9 | 63 | 0 | 0 | 0 | 111.1 | G280 C281 F288 R290 S291 Q296 H297 Q298 | G280-L294 WeakPolarHBondContact O-CD2 3.26Å; C281-L294 HydrophobicContact CB-CD1 3.65Å; F288-L294 HydrophobicContact CD2-CB 3.94Å; F288-L294 HydrophobicContact CD2-CD1 3.82Å; F288-L294 HydrophobicContact CD2-CG 4.5Å; F288-L294 HydrophobicContact CE2-CD1 3.97Å; F288-L294 HydrophobicContact CG-CB 4.48Å; R290-L294 PolarHBondContact O-N 2.74Å; S291-L294 WeakPolarHBondContact O-CA 3.16Å; S291-L294 WeakPolarHBondContact O-CB 3.32Å; S291-L294 PolarHBondContact O-N 3.26Å; L294-Q296 VanDerWaalsContact C-N 3.32Å; L294-Q296 PolarHBondContact O-N 3.41Å; L294-H297 CarbonylContact O-C 3.59Å; L294-H297 WeakPolarHBondContact O-CA 3.43Å; L294-H297 WeakPolarHBondContact O-CB 3.37Å; L294-H297 PolarHBondContact O-N 3.41Å; L294-Q298 HydrophobicContact CD1-CG 4.34Å; L294-Q298 WeakPolarHBondContact O-CG 3.35Å; L294-Q298 PolarHBondContact O-N 2.89Å |
| 295 | V | 90.7 | Very high | 91.3 | Very high | 76 Ų | 76 | 69.5 Ų | 69.5 | 46% | 0.461 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 177.8 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | S291 H297 Q298 | S291-V295 PolarHBondContact O-N 3.37Å; V295-H297 VanDerWaalsContact C-N 3.28Å; V295-H297 PolarHBondContact O-N 3.27Å; V295-Q298 PolarHBondContact O-N 3.11Å |
| 296 | Q | 91.1 | Very high | 91.3 | Very high | 64 Ų | 64 | 69.8 Ų | 69.8 | 30% | 0.299 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.6 | -37 | 174.2 | 178.5 | 177.4 | 68.3 | 0 | 0 | 112.2 | S292 I293 L294 R299 Q318 | S292-Q296 WeakPolarHBondContact O-CB 3.41Å; S292-Q296 PolarHBondContact O-N 3.35Å; S292-Q296 VanDerWaalsContact O-N 3.09Å; I293-Q296 PolarHBondContact O-N 3.06Å; L294-Q296 VanDerWaalsContact C-N 3.32Å; L294-Q296 PolarHBondContact O-N 3.41Å; Q296-R299 WeakPolarHBondContact O-CB 3.47Å; Q296-Q318 VanDerWaalsContact CD-CD 3.48Å; Q296-Q318 HydrophobicContact CG-CG 4.17Å; Q296-Q318 VanDerWaalsContact NE2-CG 3.3Å; Q296-Q318 VanDerWaalsContact NE2-NE2 3.18Å |
| 297 | H | 93 | Very high | 91.4 | Very high | 28 Ų | 28 | 67.3 Ų | 67.3 | 13% | 0.13 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69.3 | -37.9 | 177.9 | 174.4 | 63.5 | 0 | 0 | 0 | 112.4 | C284 F288 I293 L294 V295 R299 V300 H301 | C284-H297 PolarHBondContact SG-NE2 3.37Å; F288-H297 HydrophobicContact CE1-CB 4.24Å; F288-H297 HydrophobicContact CE2-CB 3.87Å; F288-H297 AromaticContact CE2-CD2 3.35Å; F288-H297 WeakPolarHBondContact CE2-CD2 3.43Å; F288-H297 AromaticContact CE2-CG 3.64Å; F288-H297 HydrophobicContact CZ-CB 3.59Å; F288-H297 AromaticContact CZ-CD2 3.37Å; F288-H297 WeakPolarHBondContact CZ-CD2 3.04Å; F288-H297 AromaticContact CZ-CG 3.26Å; F288-H297 AromaticContact CZ-ND1 3.77Å; F288-H297 AromaticContact CZ-NE2 3.87Å; I293-H297 VanDerWaalsContact O-CB 3.25Å; I293-H297 WeakPolarHBondContact O-CB 3.31Å; I293-H297 PolarHBondContact O-N 2.82Å; L294-H297 CarbonylContact O-C 3.59Å; L294-H297 WeakPolarHBondContact O-CA 3.43Å; L294-H297 WeakPolarHBondContact O-CB 3.37Å; L294-H297 PolarHBondContact O-N 3.41Å; V295-H297 VanDerWaalsContact C-N 3.28Å; V295-H297 PolarHBondContact O-N 3.27Å; H297-R299 PolarHBondContact O-N 3.33Å; H297-R299 VanDerWaalsContact O-N 3.16Å; H297-V300 WeakPolarHBondContact O-CB 3.42Å; H297-V300 WeakPolarHBondContact O-CG2 3.21Å; H297-V300 PolarHBondContact O-N 3.32Å; H297-H301 AromaticContact NE2-NE2 3.52Å |
| 298 | Q | 91.8 | Very high | 91.5 | Very high | 73 Ų | 73 | 72.4 Ų | 72.4 | 34% | 0.341 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -56.6 | -31 | 176.7 | -75.8 | 172.2 | -42.3 | 0 | 0 | 112.5 | L294 V295 V300 H301 T302 | L294-Q298 HydrophobicContact CD1-CG 4.34Å; L294-Q298 WeakPolarHBondContact O-CG 3.35Å; L294-Q298 PolarHBondContact O-N 2.89Å; V295-Q298 PolarHBondContact O-N 3.11Å; Q298-V300 PolarHBondContact O-N 3.44Å; Q298-V300 VanDerWaalsContact O-N 3.09Å; Q298-H301 WeakPolarHBondContact O-CB 3.27Å; Q298-H301 PolarHBondContact O-N 3.46Å; Q298-T302 PolarHBondContact O-N 3.22Å; Q298-T302 VanDerWaalsContact O-N 3.12Å |
| 299 | R | 92.6 | Very high | 91.5 | Very high | 55 Ų | 55 | 70.7 Ų | 70.7 | 21% | 0.208 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.9 | -19.6 | 173.7 | -60.2 | -178.8 | -177.8 | 173.5 | -0.6 | 114.4 | Q296 H297 H301 T302 G303 E304 S317 | Q296-R299 WeakPolarHBondContact O-CB 3.47Å; H297-R299 PolarHBondContact O-N 3.33Å; H297-R299 VanDerWaalsContact O-N 3.16Å; R299-H301 VanDerWaalsContact C-N 3.28Å; R299-T302 WeakPolarHBondContact CA-OG1 3.49Å; R299-G303 WeakPolarHBondContact O-CA 3.21Å; R299-G303 PolarHBondContact O-N 3.32Å; R299-E304 HydrophobicContact CB-CB 4.35Å; R299-E304 HydrophobicContact CG-CB 4.23Å; R299-E304 PolarHBondContact O-N 3.04Å; R299-S317 PolarHBondContact NH1-O 3.07Å |
| 300 | V | 91.8 | Very high | 91.6 | Very high | 106 Ų | 106 | 76.1 Ų | 76.1 | 64% | 0.642 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -69.9 | -32.7 | 173.7 | 179.6 | 0 | 0 | 0 | 0 | 110.7 | H297 Q298 | H297-V300 WeakPolarHBondContact O-CB 3.42Å; H297-V300 WeakPolarHBondContact O-CG2 3.21Å; H297-V300 PolarHBondContact O-N 3.32Å; Q298-V300 PolarHBondContact O-N 3.44Å; Q298-V300 VanDerWaalsContact O-N 3.09Å |
| 301 | H | 91.3 | Very high | 91.7 | Very high | 69 Ų | 69 | 77.9 Ų | 77.9 | 32% | 0.319 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -81.7 | -47.8 | 179.1 | -68 | -70.7 | 0 | 0 | 0 | 112.2 | E283 C284 H297 Q298 R299 G303 | E283-H301 WeakPolarHBondContact OE2-CB 3.22Å; E283-H301 IonicContact OE2-CD2 2.81Å; E283-H301 IonicContact OE2-CG 3.02Å; E283-H301 IonicContact OE2-ND1 3.23Å; E283-H301 PolarHBondContact OE2-ND1 2.84Å; C284-H301 PolarHBondContact SG-NE2 3.02Å; C284-H301 VanDerWaalsContact SG-NE2 3.43Å; H297-H301 AromaticContact NE2-NE2 3.52Å; Q298-H301 WeakPolarHBondContact O-CB 3.27Å; Q298-H301 PolarHBondContact O-N 3.46Å; R299-H301 VanDerWaalsContact C-N 3.28Å; H301-G303 PolarHBondContact O-N 3.47Å |
| 302 | T | 89.8 | Confident | 91.8 | Very high | 79 Ų | 79 | 77.6 Ų | 77.6 | 49% | 0.485 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -73.5 | -16.5 | 179.3 | 63.1 | 0 | 0 | 0 | 0 | 112.9 | Q298 R299 E304 | Q298-T302 PolarHBondContact O-N 3.22Å; Q298-T302 VanDerWaalsContact O-N 3.12Å; R299-T302 WeakPolarHBondContact CA-OG1 3.49Å; T302-E304 PolarHBondContact O-N 3.39Å; T302-E304 WeakPolarHBondContact OG1-CB 3.44Å; T302-E304 VanDerWaalsContact OG1-CG 3.32Å; T302-E304 WeakPolarHBondContact OG1-CG 3.43Å; T302-E304 PolarHBondContact OG1-N 3.08Å |
| 303 | G | 90.4 | Very high | 91.9 | Very high | 45 Ų | 45 | 76.8 Ų | 76.8 | 46% | 0.464 | 41% | 0.412 | S | S | . | . | trans | 70.6 | 8.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R299 H301 K305 | R299-G303 WeakPolarHBondContact O-CA 3.21Å; R299-G303 PolarHBondContact O-N 3.32Å; H301-G303 PolarHBondContact O-N 3.47Å; G303-K305 PolarHBondContact O-N 3.47Å | ||
| 304 | E | 91.6 | Very high | 92 | Very high | 105 Ų | 105 | 79.9 Ų | 79.9 | 49% | 0.491 | 42% | 0.423 | S | S | . | . | trans | -57.8 | 128.4 | -179.5 | -80.9 | 177.4 | -164.1 | 0 | 0 | 112.1 | R299 T302 S317 | R299-E304 HydrophobicContact CB-CB 4.35Å; R299-E304 HydrophobicContact CG-CB 4.23Å; R299-E304 PolarHBondContact O-N 3.04Å; T302-E304 PolarHBondContact O-N 3.39Å; T302-E304 WeakPolarHBondContact OG1-CB 3.44Å; T302-E304 VanDerWaalsContact OG1-CG 3.32Å; T302-E304 WeakPolarHBondContact OG1-CG 3.43Å; T302-E304 PolarHBondContact OG1-N 3.08Å; E304-S317 WeakPolarHBondContact O-CB 3.29Å | ||
| 305 | K | 92.8 | Very high | 92 | Very high | 120 Ų | 120 | 80.4 Ų | 80.4 | 52% | 0.522 | 43% | 0.431 | S | S | . | . | trans | -128.6 | 77.6 | 177.4 | -70.3 | 169.4 | 178.2 | -179.5 | 0 | 110.4 | G303 Y307 A315 F316 | G303-K305 PolarHBondContact O-N 3.47Å; K305-Y307 PolarHBondContact O-N 3.26Å; K305-A315 HydrophobicContact CB-CB 3.52Å; K305-A315 HydrophobicContact CD-CB 4.13Å; K305-A315 WeakPolarHBondContact CD-O 3.34Å; K305-A315 HydrophobicContact CG-CB 4.43Å; K305-F316 CarbonylContact C-O 3.29Å; K305-F316 VanDerWaalsContact C-O 3.29Å; K305-F316 VanDerWaalsContact CA-O 3.3Å; K305-F316 WeakPolarHBondContact CA-O 3.46Å | ||
| 306 | P | 90.8 | Very high | 92.1 | Very high | 70 Ų | 70 | 79.1 Ų | 79.1 | 46% | 0.455 | 42% | 0.419 | S | S | . | . | trans | -65.4 | -22.9 | -174.3 | -22.1 | 34.6 | 0 | 0 | 0 | 113.6 | ||||
| 307 | Y | 94.3 | Very high | 92.1 | Very high | 75 Ų | 75 | 78 Ų | 78 | 29% | 0.294 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 99.6 | -171.1 | -52.8 | -75.3 | 0 | 0 | 0 | 110.8 | K305 A315 F316 S317 N319 | K305-Y307 PolarHBondContact O-N 3.26Å; Y307-A315 CarbonylContact O-C 3.56Å; Y307-A315 WeakPolarHBondContact O-CA 3.4Å; Y307-F316 WeakPolarHBondContact CD2-O 3.47Å; Y307-F316 PolarHBondContact N-O 3.24Å; Y307-F316 VanDerWaalsContact N-O 3.08Å; Y307-F316 PolarHBondContact O-N 3.27Å; Y307-S317 WeakPolarHBondContact CE2-O 3.36Å; Y307-N319 HydrophobicContact CD1-CB 3.96Å; Y307-N319 HydrophobicContact CD2-CB 4.47Å; Y307-N319 VanDerWaalsContact CD2-N 3.29Å; Y307-N319 HydrophobicContact CE1-CB 3.79Å; Y307-N319 HydrophobicContact CE2-CB 4.3Å; Y307-N319 VanDerWaalsContact CE2-N 3.31Å; Y307-N319 HydrophobicContact CG-CB 4.3Å |
| 308 | K | 93.9 | Very high | 92.1 | Very high | 144 Ų | 144 | 80 Ų | 80 | 63% | 0.626 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 137.5 | 179.4 | -63.9 | -177.4 | -178.4 | 176.6 | 0 | 111.7 | A315 | K308-A315 HydrophobicContact CG-CB 3.86Å |
| 309 | C | 93.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 80.4 Ų | 80.4 | 1% | 0.014 | 43% | 0.432 | C | S | . | . | trans | -79.2 | 123.7 | 168.7 | -176.9 | 0 | 0 | 0 | 0 | 109.4 | E311 G313 K314 F316 L322 | C309-E311 VanDerWaalsContact C-N 3.33Å; C309-G313 WeakPolarHBondContact O-CA 3.3Å; C309-G313 PolarHBondContact O-N 2.95Å; C309-K314 WeakPolarHBondContact CB-O 3.46Å; C309-K314 PolarHBondContact N-O 2.91Å; C309-F316 HydrophobicContact CB-CE2 4.46Å; C309-L322 HydrophobicContact CB-CD1 3.69Å | ||
| 310 | L | 91.9 | Very high | 91.9 | Very high | 152 Ų | 152 | 80.9 Ų | 80.9 | 80% | 0.796 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -27.5 | 179.6 | -59.6 | 178.7 | 0 | 0 | 0 | 112.6 | ||
| 311 | E | 91 | Very high | 92 | Very high | 150 Ų | 150 | 77 Ų | 77 | 70% | 0.701 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -33.2 | -178.2 | -59.8 | -60.8 | 149.3 | 0 | 0 | 113.3 | C309 | C309-E311 VanDerWaalsContact C-N 3.33Š|
| 312 | C | 92.3 | Very high | 92.1 | Very high | 56 Ų | 56 | 74.5 Ų | 74.5 | 38% | 0.378 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.6 | 7.9 | -176 | 71.9 | 0 | 0 | 0 | 0 | 115.1 | K314 H325 H329 | C312-K314 PolarHBondContact O-N 3.08Å; C312-H325 PolarHBondContact SG-NE2 3.46Å; C312-H329 PolarHBondContact SG-NE2 2.87Å |
| 313 | G | 90.8 | Very high | 92.2 | Very high | 56 Ų | 56 | 74.1 Ų | 74.1 | 58% | 0.577 | 41% | 0.409 | S | S | * | . | trans | 69.9 | -5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | C309 A315 | C309-G313 WeakPolarHBondContact O-CA 3.3Å; C309-G313 PolarHBondContact O-N 2.95Å; G313-A315 PolarHBondContact O-N 2.76Å | ||
| 314 | K | 93.5 | Very high | 92.2 | Very high | 131 Ų | 131 | 74.3 Ų | 74.3 | 57% | 0.57 | 40% | 0.399 | S | S | * | . | trans | -65.5 | 129.7 | -177.8 | -75.8 | -176.4 | 179.5 | 178.4 | 0 | 111.6 | C309 C312 F316 | C309-K314 WeakPolarHBondContact CB-O 3.46Å; C309-K314 PolarHBondContact N-O 2.91Å; C312-K314 PolarHBondContact O-N 3.08Å; K314-F316 HydrophobicContact CB-CE2 4.01Å; K314-F316 HydrophobicContact CB-CZ 4.2Å; K314-F316 WeakPolarHBondContact O-CE2 3.27Å | ||
| 315 | A | 93.4 | Very high | 92.3 | Very high | 33 Ų | 33 | 70.3 Ų | 70.3 | 27% | 0.273 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 145.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K305 Y307 K308 G313 | K305-A315 HydrophobicContact CB-CB 3.52Å; K305-A315 HydrophobicContact CD-CB 4.13Å; K305-A315 WeakPolarHBondContact CD-O 3.34Å; K305-A315 HydrophobicContact CG-CB 4.43Å; Y307-A315 CarbonylContact O-C 3.56Å; Y307-A315 WeakPolarHBondContact O-CA 3.4Å; K308-A315 HydrophobicContact CG-CB 3.86Å; G313-A315 PolarHBondContact O-N 2.76Å |
| 316 | F | 92.7 | Very high | 92.2 | Very high | 49 Ų | 49 | 68.1 Ų | 68.1 | 22% | 0.215 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 146.7 | -178.5 | -59.7 | -89.7 | 0 | 0 | 0 | 110.7 | K305 Y307 C309 K314 Q318 L322 H325 | K305-F316 CarbonylContact C-O 3.29Å; K305-F316 VanDerWaalsContact C-O 3.29Å; K305-F316 VanDerWaalsContact CA-O 3.3Å; K305-F316 WeakPolarHBondContact CA-O 3.46Å; Y307-F316 WeakPolarHBondContact CD2-O 3.47Å; Y307-F316 PolarHBondContact N-O 3.24Å; Y307-F316 VanDerWaalsContact N-O 3.08Å; Y307-F316 PolarHBondContact O-N 3.27Å; C309-F316 HydrophobicContact CB-CE2 4.46Å; K314-F316 HydrophobicContact CB-CE2 4.01Å; K314-F316 HydrophobicContact CB-CZ 4.2Å; K314-F316 WeakPolarHBondContact O-CE2 3.27Å; F316-Q318 VanDerWaalsContact C-N 3.31Å; F316-L322 HydrophobicContact CD2-CB 4.03Å; F316-L322 HydrophobicContact CD2-CD1 4.04Å; F316-L322 HydrophobicContact CE2-CD1 4.21Å; F316-L322 HydrophobicContact CG-CB 4.45Å; F316-H325 HydrophobicContact CE1-CB 3.97Å; F316-H325 HydrophobicContact CE2-CB 3.79Å; F316-H325 AromaticContact CE2-CD2 3.43Å; F316-H325 VanDerWaalsContact CE2-CD2 3.43Å; F316-H325 WeakPolarHBondContact CE2-CD2 3.5Å; F316-H325 AromaticContact CE2-CG 3.6Å; F316-H325 HydrophobicContact CZ-CB 3.36Å; F316-H325 AromaticContact CZ-CD2 3.53Å; F316-H325 AromaticContact CZ-CG 3.21Å; F316-H325 AromaticContact CZ-ND1 3.71Å |
| 317 | S | 91.7 | Very high | 92.3 | Very high | 41 Ų | 41 | 66.8 Ų | 66.8 | 29% | 0.287 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -78.8 | -16.1 | 176.2 | 56.3 | 0 | 0 | 0 | 0 | 113.3 | R299 E304 Y307 | R299-S317 PolarHBondContact NH1-O 3.07Å; E304-S317 WeakPolarHBondContact O-CB 3.29Å; Y307-S317 WeakPolarHBondContact CE2-O 3.36Å |
| 318 | Q | 91.8 | Very high | 92.1 | Very high | 70 Ų | 70 | 68.9 Ų | 68.9 | 33% | 0.327 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -132.8 | 140 | -179.4 | -51.7 | -172.2 | 4.5 | 0 | 0 | 111.6 | Q296 F316 S320 G321 L322 | Q296-Q318 VanDerWaalsContact CD-CD 3.48Å; Q296-Q318 HydrophobicContact CG-CG 4.17Å; Q296-Q318 VanDerWaalsContact NE2-CG 3.3Å; Q296-Q318 VanDerWaalsContact NE2-NE2 3.18Å; F316-Q318 VanDerWaalsContact C-N 3.31Å; Q318-S320 VanDerWaalsContact C-N 3.31Å; Q318-S320 PolarHBondContact O-N 3.23Å; Q318-S320 PolarHBondContact OE1-OG 3.48Å; Q318-G321 PolarHBondContact O-N 3.11Å; Q318-L322 PolarHBondContact O-N 3.47Å |
| 319 | N | 91.6 | Very high | 92 | Very high | 81 Ų | 81 | 66.1 Ų | 66.1 | 43% | 0.433 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.3 | -38.4 | 178.2 | -172.6 | 34.9 | 0 | 0 | 0 | 112.5 | Y307 G321 L322 I323 | Y307-N319 HydrophobicContact CD1-CB 3.96Å; Y307-N319 HydrophobicContact CD2-CB 4.47Å; Y307-N319 VanDerWaalsContact CD2-N 3.29Å; Y307-N319 HydrophobicContact CE1-CB 3.79Å; Y307-N319 HydrophobicContact CE2-CB 4.3Å; Y307-N319 VanDerWaalsContact CE2-N 3.31Å; Y307-N319 HydrophobicContact CG-CB 4.3Å; N319-G321 PolarHBondContact O-N 3.44Å; N319-L322 WeakPolarHBondContact O-CB 3.49Å; N319-L322 PolarHBondContact O-N 3.3Å; N319-I323 WeakPolarHBondContact O-CG1 3.33Å; N319-I323 PolarHBondContact O-N 2.87Å |
| 320 | S | 90.1 | Very high | 91.8 | Very high | 64 Ų | 64 | 70.2 Ų | 70.2 | 45% | 0.448 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.9 | -34 | 174.9 | 54.6 | 0 | 0 | 0 | 0 | 112.6 | Q318 N324 | Q318-S320 VanDerWaalsContact C-N 3.31Å; Q318-S320 PolarHBondContact O-N 3.23Å; Q318-S320 PolarHBondContact OE1-OG 3.48Å; S320-N324 WeakPolarHBondContact O-CB 3.44Å; S320-N324 VanDerWaalsContact O-CG 3.29Å; S320-N324 PolarHBondContact O-N 2.81Å; S320-N324 VanDerWaalsContact O-N 3.08Å; S320-N324 PolarHBondContact O-ND2 3.43Å; S320-N324 VanDerWaalsContact O-ND2 3.11Å |
| 321 | G | 92.4 | Very high | 91.7 | Very high | 25 Ų | 25 | 65.2 Ų | 65.2 | 26% | 0.258 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.8 | -45.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q318 N319 N324 H325 | Q318-G321 PolarHBondContact O-N 3.11Å; N319-G321 PolarHBondContact O-N 3.44Å; G321-N324 PolarHBondContact O-N 3.05Å; G321-H325 VanDerWaalsContact O-CB 3.25Å; G321-H325 WeakPolarHBondContact O-CB 3.31Å; G321-H325 PolarHBondContact O-N 3.13Å |
| 322 | L | 94 | Very high | 91.6 | Very high | 17 Ų | 17 | 63.3 Ų | 63.3 | 9% | 0.089 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.3 | -49.2 | 176.1 | 174.8 | 61.8 | 0 | 0 | 0 | 111.9 | C309 F316 Q318 N319 N324 H325 Q326 | C309-L322 HydrophobicContact CB-CD1 3.69Å; F316-L322 HydrophobicContact CD2-CB 4.03Å; F316-L322 HydrophobicContact CD2-CD1 4.04Å; F316-L322 HydrophobicContact CE2-CD1 4.21Å; F316-L322 HydrophobicContact CG-CB 4.45Å; Q318-L322 PolarHBondContact O-N 3.47Å; N319-L322 WeakPolarHBondContact O-CB 3.49Å; N319-L322 PolarHBondContact O-N 3.3Å; L322-N324 VanDerWaalsContact C-N 3.34Å; L322-N324 PolarHBondContact O-N 3.5Å; L322-H325 CarbonylContact O-C 3.3Å; L322-H325 WeakPolarHBondContact O-CB 3.43Å; L322-H325 PolarHBondContact O-N 2.81Å; L322-H325 VanDerWaalsContact O-N 3.09Å; L322-Q326 HydrophobicContact CD1-CG 4.2Å; L322-Q326 WeakPolarHBondContact O-CG 3.38Å; L322-Q326 PolarHBondContact O-N 2.78Å |
| 323 | I | 91.8 | Very high | 91.6 | Very high | 71 Ų | 71 | 66.8 Ų | 66.8 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 179.2 | -63 | -58.7 | 0 | 0 | 0 | 111.3 | N319 H325 Q326 R327 | N319-I323 WeakPolarHBondContact O-CG1 3.33Å; N319-I323 PolarHBondContact O-N 2.87Å; I323-H325 VanDerWaalsContact C-N 3.27Å; I323-H325 PolarHBondContact O-N 3.47Å; I323-Q326 PolarHBondContact O-N 3.03Å; I323-R327 PolarHBondContact O-N 3.26Å |
| 324 | N | 90.5 | Very high | 91.6 | Very high | 49 Ų | 49 | 67.6 Ų | 67.6 | 26% | 0.262 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.4 | -33.9 | 176.6 | -76.8 | -32.9 | 0 | 0 | 0 | 112.3 | S320 G321 L322 R327 | S320-N324 WeakPolarHBondContact O-CB 3.44Å; S320-N324 VanDerWaalsContact O-CG 3.29Å; S320-N324 PolarHBondContact O-N 2.81Å; S320-N324 VanDerWaalsContact O-N 3.08Å; S320-N324 PolarHBondContact O-ND2 3.43Å; S320-N324 VanDerWaalsContact O-ND2 3.11Å; G321-N324 PolarHBondContact O-N 3.05Å; L322-N324 VanDerWaalsContact C-N 3.34Å; L322-N324 PolarHBondContact O-N 3.5Å; N324-R327 PolarHBondContact OD1-NH1 3.47Å |
| 325 | H | 92.9 | Very high | 91.5 | Very high | 20 Ų | 20 | 64.9 Ų | 64.9 | 9% | 0.093 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -70.5 | -40.4 | 176.4 | 170.7 | 68.3 | 0 | 0 | 0 | 112.2 | C312 F316 G321 L322 I323 R327 I328 H329 | C312-H325 PolarHBondContact SG-NE2 3.46Å; F316-H325 HydrophobicContact CE1-CB 3.97Å; F316-H325 HydrophobicContact CE2-CB 3.79Å; F316-H325 AromaticContact CE2-CD2 3.43Å; F316-H325 VanDerWaalsContact CE2-CD2 3.43Å; F316-H325 WeakPolarHBondContact CE2-CD2 3.5Å; F316-H325 AromaticContact CE2-CG 3.6Å; F316-H325 HydrophobicContact CZ-CB 3.36Å; F316-H325 AromaticContact CZ-CD2 3.53Å; F316-H325 AromaticContact CZ-CG 3.21Å; F316-H325 AromaticContact CZ-ND1 3.71Å; G321-H325 VanDerWaalsContact O-CB 3.25Å; G321-H325 WeakPolarHBondContact O-CB 3.31Å; G321-H325 PolarHBondContact O-N 3.13Å; L322-H325 CarbonylContact O-C 3.3Å; L322-H325 WeakPolarHBondContact O-CB 3.43Å; L322-H325 PolarHBondContact O-N 2.81Å; L322-H325 VanDerWaalsContact O-N 3.09Å; I323-H325 VanDerWaalsContact C-N 3.27Å; I323-H325 PolarHBondContact O-N 3.47Å; H325-R327 PolarHBondContact O-N 3.29Å; H325-R327 VanDerWaalsContact O-N 3.17Å; H325-I328 WeakPolarHBondContact O-CB 2.86Å; H325-I328 WeakPolarHBondContact O-CG1 3.36Å; H325-I328 PolarHBondContact O-N 2.88Å; H325-H329 AromaticContact CE1-NE2 3.79Å; H325-H329 AromaticContact NE2-NE2 3.4Å; H325-H329 PolarHBondContact NE2-NE2 3.25Å |
| 326 | Q | 92.1 | Very high | 91.5 | Very high | 75 Ų | 75 | 68.8 Ų | 68.8 | 35% | 0.35 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.3 | -31.1 | 176.3 | -77.2 | 174.7 | -23.7 | 0 | 0 | 112.6 | L322 I323 I328 H329 T330 | L322-Q326 HydrophobicContact CD1-CG 4.2Å; L322-Q326 WeakPolarHBondContact O-CG 3.38Å; L322-Q326 PolarHBondContact O-N 2.78Å; I323-Q326 PolarHBondContact O-N 3.03Å; Q326-I328 PolarHBondContact O-N 3.39Å; Q326-I328 VanDerWaalsContact O-N 3.11Å; Q326-H329 WeakPolarHBondContact O-CB 3.42Å; Q326-H329 PolarHBondContact O-N 3.26Å; Q326-T330 PolarHBondContact O-N 3.37Å; Q326-T330 VanDerWaalsContact O-N 3.13Å |
| 327 | R | 92.1 | Very high | 91.5 | Very high | 42 Ų | 42 | 66.5 Ų | 66.5 | 16% | 0.158 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.6 | -18.2 | 173.8 | -65.2 | -180 | -178.3 | 158.1 | 3.8 | 114.3 | I323 N324 H325 T330 G331 E332 S345 | I323-R327 PolarHBondContact O-N 3.26Å; N324-R327 PolarHBondContact OD1-NH1 3.47Å; H325-R327 PolarHBondContact O-N 3.29Å; H325-R327 VanDerWaalsContact O-N 3.17Å; R327-T330 WeakPolarHBondContact CA-OG1 3.48Å; R327-G331 WeakPolarHBondContact O-CA 3.03Å; R327-G331 PolarHBondContact O-N 3.23Å; R327-E332 HydrophobicContact CG-CB 4.4Å; R327-E332 PolarHBondContact O-N 3.09Å; R327-S345 WeakPolarHBondContact CD-O 3.32Å; R327-S345 PolarHBondContact NH1-O 3.15Å |
| 328 | I | 90.8 | Very high | 91.4 | Very high | 118 Ų | 118 | 71.2 Ų | 71.2 | 61% | 0.605 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -72.8 | -37.4 | 173.8 | -57.7 | 173.6 | 0 | 0 | 0 | 109.9 | H325 Q326 | H325-I328 WeakPolarHBondContact O-CB 2.86Å; H325-I328 WeakPolarHBondContact O-CG1 3.36Å; H325-I328 PolarHBondContact O-N 2.88Å; Q326-I328 PolarHBondContact O-N 3.39Å; Q326-I328 VanDerWaalsContact O-N 3.11Å |
| 329 | H | 90.2 | Very high | 91.2 | Very high | 87 Ų | 87 | 73.3 Ų | 73.3 | 40% | 0.403 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -72.7 | -42.6 | 176.8 | -65.6 | -67.5 | 0 | 0 | 0 | 111.7 | C312 H325 Q326 | C312-H329 PolarHBondContact SG-NE2 2.87Å; H325-H329 AromaticContact CE1-NE2 3.79Å; H325-H329 AromaticContact NE2-NE2 3.4Å; H325-H329 PolarHBondContact NE2-NE2 3.25Å; Q326-H329 WeakPolarHBondContact O-CB 3.42Å; Q326-H329 PolarHBondContact O-N 3.26Å |
| 330 | T | 89.8 | Confident | 91.2 | Very high | 87 Ų | 87 | 71.9 Ų | 71.9 | 53% | 0.534 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -81 | -16.3 | -179.5 | 63.9 | 0 | 0 | 0 | 0 | 113.5 | Q326 R327 E332 | Q326-T330 PolarHBondContact O-N 3.37Å; Q326-T330 VanDerWaalsContact O-N 3.13Å; R327-T330 WeakPolarHBondContact CA-OG1 3.48Å; T330-E332 PolarHBondContact O-N 3.35Å; T330-E332 WeakPolarHBondContact OG1-CG 3.5Å; T330-E332 PolarHBondContact OG1-N 3.47Å |
| 331 | G | 89.6 | Confident | 91.1 | Very high | 48 Ų | 48 | 70.9 Ų | 70.9 | 50% | 0.495 | 39% | 0.388 | S | S | . | . | trans | 69.4 | 7.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R327 K333 | R327-G331 WeakPolarHBondContact O-CA 3.03Å; R327-G331 PolarHBondContact O-N 3.23Å; G331-K333 PolarHBondContact O-N 3.01Å | ||
| 332 | E | 90.7 | Very high | 91 | Very high | 109 Ų | 109 | 75 Ų | 75 | 51% | 0.509 | 40% | 0.399 | S | S | . | . | trans | -61.8 | 131.5 | -178.2 | -77 | -177.3 | 178.4 | 0 | 0 | 112.4 | R327 T330 S345 | R327-E332 HydrophobicContact CG-CB 4.4Å; R327-E332 PolarHBondContact O-N 3.09Å; T330-E332 PolarHBondContact O-N 3.35Å; T330-E332 WeakPolarHBondContact OG1-CG 3.5Å; T330-E332 PolarHBondContact OG1-N 3.47Å; E332-S345 WeakPolarHBondContact O-CB 3.45Å | ||
| 333 | K | 90.9 | Very high | 91 | Very high | 129 Ų | 129 | 76.4 Ų | 76.4 | 56% | 0.561 | 41% | 0.41 | S | S | * | . | trans | -128.1 | 76.2 | 177.4 | -68.2 | 174.6 | 179.7 | 179.8 | 0 | 111 | G331 Y335 Y344 | G331-K333 PolarHBondContact O-N 3.01Å; K333-Y335 PolarHBondContact O-N 3Å; K333-Y344 CarbonylContact C-O 3.5Å; K333-Y344 VanDerWaalsContact C-O 3.3Å; K333-Y344 WeakPolarHBondContact CA-O 3.11Å | ||
| 334 | P | 90.2 | Very high | 90.9 | Very high | 74 Ų | 74 | 75.4 Ų | 75.4 | 48% | 0.481 | 40% | 0.402 | S | S | . | . | trans | -68.9 | -16.6 | -172.7 | -19.8 | 33.5 | 0 | 0 | 0 | 114.4 | ||||
| 335 | Y | 92.3 | Very high | 90.8 | Very high | 74 Ų | 74 | 74.6 Ų | 74.6 | 29% | 0.29 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 101.2 | -171 | -54.6 | -74.3 | 0 | 0 | 0 | 111.1 | K333 S343 Y344 | K333-Y335 PolarHBondContact O-N 3Å; Y335-S343 CarbonylContact O-C 3.49Å; Y335-S343 WeakPolarHBondContact O-CA 3.28Å; Y335-Y344 WeakPolarHBondContact CD2-O 3.37Å; Y335-Y344 PolarHBondContact N-O 3.46Å; Y335-Y344 VanDerWaalsContact N-O 3.12Å; Y335-Y344 PolarHBondContact O-N 3.45Å |
| 336 | E | 93.3 | Very high | 90.6 | Very high | 115 Ų | 115 | 76.5 Ų | 76.5 | 54% | 0.537 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 138 | 179.7 | -171 | 178.2 | 166.3 | 0 | 0 | 112.4 | V338 | E336-V338 PolarHBondContact O-N 3.11Å |
| 337 | C | 92.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 42% | 0.416 | C | S | . | . | trans | -80.7 | 110.5 | 170.7 | -175.4 | 0 | 0 | 0 | 0 | 110.6 | Q339 C340 G341 K342 Y344 L350 | C337-Q339 PolarHBondContact O-N 2.83Å; C337-Q339 VanDerWaalsContact O-N 3.13Å; C337-C340 PolarHBondContact O-N 3.05Å; C337-G341 WeakPolarHBondContact O-CA 3.19Å; C337-G341 PolarHBondContact O-N 3.25Å; C337-K342 WeakPolarHBondContact CB-O 3.06Å; C337-K342 PolarHBondContact N-O 3.12Å; C337-Y344 HydrophobicContact CB-CE2 4.49Å; C337-L350 HydrophobicContact CB-CD1 3.57Å | ||
| 338 | V | 89.8 | Confident | 90.5 | Very high | 140 Ų | 140 | 77.4 Ų | 77.4 | 85% | 0.848 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -29 | 178.5 | -176.2 | 0 | 0 | 0 | 0 | 113.1 | E336 | E336-V338 PolarHBondContact O-N 3.11Š|
| 339 | Q | 88 | Confident | 90.5 | Very high | 115 Ų | 115 | 73.7 Ų | 73.7 | 54% | 0.537 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -28.5 | -178.2 | -72.6 | 174 | -31.4 | 0 | 0 | 113.8 | C337 H357 | C337-Q339 PolarHBondContact O-N 2.83Å; C337-Q339 VanDerWaalsContact O-N 3.13Å; Q339-H357 PolarHBondContact OE1-CD2 3.49Å |
| 340 | C | 91.1 | Very high | 90.7 | Very high | 51 Ų | 51 | 70.5 Ų | 70.5 | 35% | 0.345 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.3 | 9.9 | -173.8 | 78.8 | 0 | 0 | 0 | 0 | 115 | C337 K342 H353 H357 | C337-C340 PolarHBondContact O-N 3.05Å; C340-K342 PolarHBondContact O-N 3.14Å; C340-K342 VanDerWaalsContact O-N 3.08Å; C340-H353 PolarHBondContact SG-NE2 3.29Å; C340-H357 PolarHBondContact SG-NE2 2.79Å |
| 341 | G | 88.8 | Confident | 90.7 | Very high | 42 Ų | 42 | 72.8 Ų | 72.8 | 43% | 0.433 | 40% | 0.4 | S | S | . | . | trans | 65.1 | 9.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | C337 | C337-G341 WeakPolarHBondContact O-CA 3.19Å; C337-G341 PolarHBondContact O-N 3.25Å | ||
| 342 | K | 90.8 | Very high | 90.8 | Very high | 113 Ų | 113 | 78.8 Ų | 78.8 | 49% | 0.491 | 41% | 0.408 | S | S | . | . | trans | -80.8 | 124.9 | -178.2 | -73.4 | -178.2 | -179.4 | -179.3 | 0 | 110.5 | C337 C340 Y344 | C337-K342 WeakPolarHBondContact CB-O 3.06Å; C337-K342 PolarHBondContact N-O 3.12Å; C340-K342 PolarHBondContact O-N 3.14Å; C340-K342 VanDerWaalsContact O-N 3.08Å; K342-Y344 HydrophobicContact CB-CE2 3.94Å; K342-Y344 WeakPolarHBondContact O-CD2 3.39Å; K342-Y344 VanDerWaalsContact O-CE2 3.26Å; K342-Y344 WeakPolarHBondContact O-CE2 3.41Å | ||
| 343 | S | 92.3 | Very high | 90.8 | Very high | 46 Ų | 46 | 74.2 Ų | 74.2 | 32% | 0.322 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 144.7 | 179.5 | -50.2 | 0 | 0 | 0 | 0 | 113.1 | Y335 | Y335-S343 CarbonylContact O-C 3.49Å; Y335-S343 WeakPolarHBondContact O-CA 3.28Å |
| 344 | Y | 89.8 | Confident | 90.7 | Very high | 50 Ų | 50 | 71 Ų | 71 | 20% | 0.196 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 148.9 | -176.6 | -59.1 | -87.3 | 0 | 0 | 0 | 110.7 | K333 Y335 C337 K342 Q346 N349 L350 H353 | K333-Y344 CarbonylContact C-O 3.5Å; K333-Y344 VanDerWaalsContact C-O 3.3Å; K333-Y344 WeakPolarHBondContact CA-O 3.11Å; Y335-Y344 WeakPolarHBondContact CD2-O 3.37Å; Y335-Y344 PolarHBondContact N-O 3.46Å; Y335-Y344 VanDerWaalsContact N-O 3.12Å; Y335-Y344 PolarHBondContact O-N 3.45Å; C337-Y344 HydrophobicContact CB-CE2 4.49Å; K342-Y344 HydrophobicContact CB-CE2 3.94Å; K342-Y344 WeakPolarHBondContact O-CD2 3.39Å; K342-Y344 VanDerWaalsContact O-CE2 3.26Å; K342-Y344 WeakPolarHBondContact O-CE2 3.41Å; Y344-Q346 VanDerWaalsContact C-N 3.34Å; Y344-N349 HydrophobicContact CD1-CB 3.88Å; Y344-N349 HydrophobicContact CG-CB 4.24Å; Y344-L350 HydrophobicContact CD2-CB 3.94Å; Y344-L350 HydrophobicContact CD2-CD1 3.91Å; Y344-L350 HydrophobicContact CE2-CD1 4.07Å; Y344-L350 HydrophobicContact CG-CB 4.4Å; Y344-H353 HydrophobicContact CE1-CB 4.36Å; Y344-H353 HydrophobicContact CE2-CB 4.02Å; Y344-H353 AromaticContact CE2-CD2 3.66Å; Y344-H353 AromaticContact CE2-CG 3.87Å; Y344-H353 AromaticContact CZ-CD2 3.81Å; Y344-H353 AromaticContact CZ-CG 3.58Å; Y344-H353 WeakPolarHBondContact OH-CB 3.35Å; Y344-H353 PolarHBondContact OH-CD2 2.91Å; Y344-H353 VanDerWaalsContact OH-CD2 3.27Å; Y344-H353 PolarHBondContact OH-CE1 3.38Å; Y344-H353 VanDerWaalsContact OH-CE1 3.32Å; Y344-H353 PolarHBondContact OH-ND1 2.93Å; Y344-H353 PolarHBondContact OH-NE2 2.76Å |
| 345 | S | 88.5 | Confident | 90.6 | Very high | 31 Ų | 31 | 75.6 Ų | 75.6 | 22% | 0.217 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -79.1 | -15.4 | 176.6 | 54.7 | 0 | 0 | 0 | 0 | 113.6 | R327 E332 | R327-S345 WeakPolarHBondContact CD-O 3.32Å; R327-S345 PolarHBondContact NH1-O 3.15Å; E332-S345 WeakPolarHBondContact O-CB 3.45Å |
| 346 | Q | 90.1 | Very high | 90.3 | Very high | 61 Ų | 61 | 78.1 Ų | 78.1 | 29% | 0.285 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -134.1 | 141.4 | -179.4 | -60.7 | 179.5 | 6.6 | 0 | 0 | 111.2 | Y344 S348 N349 L350 | Y344-Q346 VanDerWaalsContact C-N 3.34Å; Q346-S348 VanDerWaalsContact C-N 3.34Å; Q346-S348 PolarHBondContact O-N 3.47Å; Q346-N349 PolarHBondContact O-N 2.91Å; Q346-L350 PolarHBondContact O-N 3.48Å |
| 347 | S | 90.8 | Very high | 89.9 | Confident | 70 Ų | 70 | 74.2 Ų | 74.2 | 49% | 0.49 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.9 | -34.2 | -180 | 58 | 0 | 0 | 0 | 0 | 113 | N349 L350 F351 | S347-N349 VanDerWaalsContact C-N 3.29Å; S347-N349 PolarHBondContact O-N 3.32Å; S347-L350 WeakPolarHBondContact O-CB 3.3Å; S347-L350 PolarHBondContact O-N 2.84Å; S347-F351 PolarHBondContact O-N 3.4Å |
| 348 | S | 90.6 | Very high | 89 | Confident | 65 Ų | 65 | 78.2 Ų | 78.2 | 46% | 0.455 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60 | -39.4 | 175.6 | 54.1 | 0 | 0 | 0 | 0 | 112.2 | Q346 F351 R352 | Q346-S348 VanDerWaalsContact C-N 3.34Å; Q346-S348 PolarHBondContact O-N 3.47Å; S348-F351 PolarHBondContact O-N 3.15Å; S348-R352 WeakPolarHBondContact O-CB 3.5Å; S348-R352 PolarHBondContact O-N 3.29Å |
| 349 | N | 91.5 | Very high | 88.2 | Confident | 40 Ų | 40 | 74 Ų | 74 | 21% | 0.214 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.1 | -42.2 | 175.9 | -73.5 | -32.5 | 0 | 0 | 0 | 111.6 | Y344 Q346 S347 R352 H353 | Y344-N349 HydrophobicContact CD1-CB 3.88Å; Y344-N349 HydrophobicContact CG-CB 4.24Å; Q346-N349 PolarHBondContact O-N 2.91Å; S347-N349 VanDerWaalsContact C-N 3.29Å; S347-N349 PolarHBondContact O-N 3.32Å; N349-R352 PolarHBondContact O-N 3.39Å; N349-R352 PolarHBondContact OD1-NH2 2.99Å; N349-H353 WeakPolarHBondContact O-CB 3.36Å; N349-H353 PolarHBondContact O-N 3.48Å |
| 350 | L | 92.6 | Very high | 87 | Confident | 21 Ų | 21 | 73 Ų | 73 | 11% | 0.11 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.2 | -48 | 173.1 | 172.8 | 62.5 | 0 | 0 | 0 | 111.2 | C337 Y344 Q346 S347 R352 H353 Q354 | C337-L350 HydrophobicContact CB-CD1 3.57Å; Y344-L350 HydrophobicContact CD2-CB 3.94Å; Y344-L350 HydrophobicContact CD2-CD1 3.91Å; Y344-L350 HydrophobicContact CE2-CD1 4.07Å; Y344-L350 HydrophobicContact CG-CB 4.4Å; Q346-L350 PolarHBondContact O-N 3.48Å; S347-L350 WeakPolarHBondContact O-CB 3.3Å; S347-L350 PolarHBondContact O-N 2.84Å; L350-R352 PolarHBondContact O-N 2.86Å; L350-H353 WeakPolarHBondContact O-CB 3.38Å; L350-H353 PolarHBondContact O-N 3.27Å; L350-H353 VanDerWaalsContact O-N 3.15Å; L350-Q354 HydrophobicContact CD1-CG 4Å; L350-Q354 HydrophobicContact CG-CG 4.35Å; L350-Q354 WeakPolarHBondContact O-CG 3.5Å; L350-Q354 PolarHBondContact O-N 3.23Å |
| 351 | F | 90.9 | Very high | 85.7 | Confident | 134 Ų | 134 | 77.3 Ų | 77.3 | 59% | 0.588 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61.3 | -45.4 | -179.6 | -175.4 | -100.1 | 0 | 0 | 0 | 111.8 | S347 S348 H353 Q354 R355 | S347-F351 PolarHBondContact O-N 3.4Å; S348-F351 PolarHBondContact O-N 3.15Å; F351-H353 VanDerWaalsContact C-N 3.28Å; F351-H353 PolarHBondContact O-N 3.44Å; F351-Q354 PolarHBondContact O-N 2.96Å; F351-R355 HydrophobicContact CE1-CG 4.29Å; F351-R355 WeakPolarHBondContact O-CG 3.4Å; F351-R355 PolarHBondContact O-N 2.79Å |
| 352 | R | 90.8 | Very high | 84.3 | Confident | 174 Ų | 174 | 81.1 Ų | 81.1 | 66% | 0.657 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -58.8 | -41.3 | 174.3 | 178.1 | 170.5 | 58.4 | 174.8 | -3.3 | 111.7 | S348 N349 L350 R355 | S348-R352 WeakPolarHBondContact O-CB 3.5Å; S348-R352 PolarHBondContact O-N 3.29Å; N349-R352 PolarHBondContact O-N 3.39Å; N349-R352 PolarHBondContact OD1-NH2 2.99Å; L350-R352 PolarHBondContact O-N 2.86Å; R352-R355 PolarHBondContact O-N 3.16Å |
| 353 | H | 91.4 | Very high | 82.9 | Confident | 13 Ų | 13 | 81.1 Ų | 81.1 | 6% | 0.06 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.5 | -44 | 176 | 169.3 | 71.8 | 0 | 0 | 0 | 112.5 | C340 Y344 N349 L350 F351 R355 R356 H357 | C340-H353 PolarHBondContact SG-NE2 3.29Å; Y344-H353 HydrophobicContact CE1-CB 4.36Å; Y344-H353 HydrophobicContact CE2-CB 4.02Å; Y344-H353 AromaticContact CE2-CD2 3.66Å; Y344-H353 AromaticContact CE2-CG 3.87Å; Y344-H353 AromaticContact CZ-CD2 3.81Å; Y344-H353 AromaticContact CZ-CG 3.58Å; Y344-H353 WeakPolarHBondContact OH-CB 3.35Å; Y344-H353 PolarHBondContact OH-CD2 2.91Å; Y344-H353 VanDerWaalsContact OH-CD2 3.27Å; Y344-H353 PolarHBondContact OH-CE1 3.38Å; Y344-H353 VanDerWaalsContact OH-CE1 3.32Å; Y344-H353 PolarHBondContact OH-ND1 2.93Å; Y344-H353 PolarHBondContact OH-NE2 2.76Å; N349-H353 WeakPolarHBondContact O-CB 3.36Å; N349-H353 PolarHBondContact O-N 3.48Å; L350-H353 WeakPolarHBondContact O-CB 3.38Å; L350-H353 PolarHBondContact O-N 3.27Å; L350-H353 VanDerWaalsContact O-N 3.15Å; F351-H353 VanDerWaalsContact C-N 3.28Å; F351-H353 PolarHBondContact O-N 3.44Å; H353-R355 VanDerWaalsContact C-N 3.25Å; H353-R355 PolarHBondContact O-N 3.43Å; H353-R356 PolarHBondContact CE1-NH2 3.41Å; H353-R356 PolarHBondContact ND1-NH2 2.86Å; H353-R356 VanDerWaalsContact O-CB 3.31Å; H353-R356 WeakPolarHBondContact O-CB 3.42Å; H353-R356 PolarHBondContact O-N 3.22Å; H353-H357 AromaticContact CD2-NE2 3.82Å; H353-H357 AromaticContact CE1-NE2 3.38Å; H353-H357 PolarHBondContact CE1-NE2 3.32Å; H353-H357 AromaticContact NE2-CD2 3.7Å; H353-H357 AromaticContact NE2-CE1 4Å; H353-H357 AromaticContact NE2-NE2 2.99Å; H353-H357 PolarHBondContact NE2-NE2 3.23Å |
| 354 | Q | 89.6 | Confident | 81.2 | Confident | 62 Ų | 62 | 84.1 Ų | 84.1 | 29% | 0.29 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.1 | -32.5 | 177.6 | -75.5 | 173.9 | -23.1 | 0 | 0 | 112.8 | L350 F351 R356 H357 N358 | L350-Q354 HydrophobicContact CD1-CG 4Å; L350-Q354 HydrophobicContact CG-CG 4.35Å; L350-Q354 WeakPolarHBondContact O-CG 3.5Å; L350-Q354 PolarHBondContact O-N 3.23Å; F351-Q354 PolarHBondContact O-N 2.96Å; Q354-R356 PolarHBondContact O-N 3.19Å; Q354-H357 PolarHBondContact O-N 2.97Å; Q354-N358 PolarHBondContact O-N 2.79Å; Q354-N358 VanDerWaalsContact O-N 3.12Å |
| 355 | R | 88.3 | Confident | 79.7 | Confident | 170 Ų | 170 | 86.7 Ų | 86.7 | 64% | 0.642 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -59 | -31.2 | 173.1 | -71.2 | -174.1 | 68.1 | -171.4 | 0.4 | 112.9 | F351 R352 H353 N358 A359 | F351-R355 HydrophobicContact CE1-CG 4.29Å; F351-R355 WeakPolarHBondContact O-CG 3.4Å; F351-R355 PolarHBondContact O-N 2.79Å; R352-R355 PolarHBondContact O-N 3.16Å; H353-R355 VanDerWaalsContact C-N 3.25Å; H353-R355 PolarHBondContact O-N 3.43Å; R355-N358 PolarHBondContact O-N 3.39Å; R355-A359 WeakPolarHBondContact O-CB 3.35Å; R355-A359 PolarHBondContact O-N 3.4Å |
| 356 | R | 85.1 | Confident | 78.2 | Confident | 127 Ų | 127 | 91.3 Ų | 91.3 | 48% | 0.479 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.6 | -43.3 | 176.9 | -175.5 | 172.7 | 62.7 | -161.2 | 0.3 | 111.5 | H353 Q354 N358 A359 E360 | H353-R356 PolarHBondContact CE1-NH2 3.41Å; H353-R356 PolarHBondContact ND1-NH2 2.86Å; H353-R356 VanDerWaalsContact O-CB 3.31Å; H353-R356 WeakPolarHBondContact O-CB 3.42Å; H353-R356 PolarHBondContact O-N 3.22Å; Q354-R356 PolarHBondContact O-N 3.19Å; R356-N358 VanDerWaalsContact C-N 3.28Å; R356-N358 PolarHBondContact O-N 3.3Å; R356-A359 PolarHBondContact O-N 3Å; R356-A359 VanDerWaalsContact O-N 3.16Å; R356-E360 HydrophobicContact CG-CG 4.47Å; R356-E360 WeakPolarHBondContact CG-OE1 3.14Å; R356-E360 WeakPolarHBondContact O-CG 3.24Å; R356-E360 PolarHBondContact O-N 3.11Å |
| 357 | H | 84.1 | Confident | 76.3 | Confident | 33 Ų | 33 | 97 Ų | 97 | 15% | 0.153 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -61.3 | -38.8 | 174.4 | -66.3 | -57.9 | 0 | 0 | 0 | 112.1 | Q339 C340 H353 Q354 K361 | Q339-H357 PolarHBondContact OE1-CD2 3.49Å; C340-H357 PolarHBondContact SG-NE2 2.79Å; H353-H357 AromaticContact CD2-NE2 3.82Å; H353-H357 AromaticContact CE1-NE2 3.38Å; H353-H357 PolarHBondContact CE1-NE2 3.32Å; H353-H357 AromaticContact NE2-CD2 3.7Å; H353-H357 AromaticContact NE2-CE1 4Å; H353-H357 AromaticContact NE2-NE2 2.99Å; H353-H357 PolarHBondContact NE2-NE2 3.23Å; Q354-H357 PolarHBondContact O-N 2.97Å; H357-K361 VanDerWaalsContact O-CB 3.26Å; H357-K361 WeakPolarHBondContact O-CB 3.37Å; H357-K361 PolarHBondContact O-N 3.4Å |
| 358 | N | 74 | Confident | 74.1 | Confident | 85 Ų | 85 | 102.5 Ų | 102.5 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.1 | -36 | 175.6 | -71.2 | -12.3 | 0 | 0 | 0 | 112.4 | Q354 R355 R356 L362 | Q354-N358 PolarHBondContact O-N 2.79Å; Q354-N358 VanDerWaalsContact O-N 3.12Å; R355-N358 PolarHBondContact O-N 3.39Å; R356-N358 VanDerWaalsContact C-N 3.28Å; R356-N358 PolarHBondContact O-N 3.3Å; N358-L362 WeakPolarHBondContact O-CG 3.28Å; N358-L362 PolarHBondContact O-N 3.17Å; N358-L362 VanDerWaalsContact O-N 3.09Å |
| 359 | A | 72.4 | Confident | 73.3 | Confident | 51 Ų | 51 | 104.4 Ų | 104.4 | 42% | 0.421 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.7 | -42.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R355 R356 K361 L362 L363 | R355-A359 WeakPolarHBondContact O-CB 3.35Å; R355-A359 PolarHBondContact O-N 3.4Å; R356-A359 PolarHBondContact O-N 3Å; R356-A359 VanDerWaalsContact O-N 3.16Å; A359-K361 VanDerWaalsContact C-N 3.34Å; A359-L362 PolarHBondContact O-N 3.44Å; A359-L363 WeakPolarHBondContact O-CG 3.4Å; A359-L363 PolarHBondContact O-N 3.18Å; A359-L363 VanDerWaalsContact O-N 3.1Å |
| 360 | E | 64.3 | Low | 72.3 | Confident | 95 Ų | 95 | 107.7 Ų | 107.7 | 44% | 0.444 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.2 | -38.9 | 174.5 | -71.8 | 169.6 | -170.6 | 0 | 0 | 111.4 | R356 L363 N364 | R356-E360 HydrophobicContact CG-CG 4.47Å; R356-E360 WeakPolarHBondContact CG-OE1 3.14Å; R356-E360 WeakPolarHBondContact O-CG 3.24Å; R356-E360 PolarHBondContact O-N 3.11Å; E360-L363 PolarHBondContact O-N 2.8Å; E360-N364 PolarHBondContact O-N 3.43Å; E360-N364 PolarHBondContact O-ND2 3.28Å |
| 361 | K | 63.2 | Low | 71.2 | Confident | 140 Ų | 140 | 112.6 Ų | 112.6 | 61% | 0.609 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.9 | -39.6 | 175.5 | -169.4 | 175.6 | -179 | -179 | 0 | 112.6 | H357 A359 V365 | H357-K361 VanDerWaalsContact O-CB 3.26Å; H357-K361 WeakPolarHBondContact O-CB 3.37Å; H357-K361 PolarHBondContact O-N 3.4Å; A359-K361 VanDerWaalsContact C-N 3.34Å; K361-V365 WeakPolarHBondContact O-CG2 3.47Å; K361-V365 PolarHBondContact O-N 3.46Å |
| 362 | L | 60.4 | Low | 70.1 | Confident | 122 Ų | 122 | 111.3 Ų | 111.3 | 64% | 0.639 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -71.7 | -36.3 | 178 | -71 | 171.1 | 0 | 0 | 0 | 112.7 | N358 A359 N364 V365 V366 | N358-L362 WeakPolarHBondContact O-CG 3.28Å; N358-L362 PolarHBondContact O-N 3.17Å; N358-L362 VanDerWaalsContact O-N 3.09Å; A359-L362 PolarHBondContact O-N 3.44Å; L362-N364 VanDerWaalsContact C-N 3.3Å; L362-N364 PolarHBondContact O-N 3.39Å; L362-V365 PolarHBondContact O-N 3.37Å; L362-V366 PolarHBondContact O-N 3.29Å |
| 363 | L | 60.6 | Low | 68.8 | Low | 114 Ų | 114 | 107.4 Ų | 107.4 | 60% | 0.597 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.8 | -30.3 | 175.7 | -72 | 170.4 | 0 | 0 | 0 | 113 | A359 E360 | A359-L363 WeakPolarHBondContact O-CG 3.4Å; A359-L363 PolarHBondContact O-N 3.18Å; A359-L363 VanDerWaalsContact O-N 3.1Å; E360-L363 PolarHBondContact O-N 2.8Å |
| 364 | N | 56.4 | Low | 67.2 | Low | 109 Ų | 109 | 113.7 Ų | 113.7 | 58% | 0.583 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -78.8 | -17 | 176.2 | -68.6 | -21.1 | 0 | 0 | 0 | 113.5 | E360 L362 | E360-N364 PolarHBondContact O-N 3.43Å; E360-N364 PolarHBondContact O-ND2 3.28Å; L362-N364 VanDerWaalsContact C-N 3.3Å; L362-N364 PolarHBondContact O-N 3.39Å |
| 365 | V | 57.8 | Low | 65.7 | Low | 103 Ų | 103 | 117.4 Ų | 117.4 | 62% | 0.624 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -83.3 | -27.6 | 175.1 | 172.4 | 0 | 0 | 0 | 0 | 111.9 | K361 L362 K367 | K361-V365 WeakPolarHBondContact O-CG2 3.47Å; K361-V365 PolarHBondContact O-N 3.46Å; L362-V365 PolarHBondContact O-N 3.37Å; V365-K367 VanDerWaalsContact C-N 3.33Å |
| 366 | V | 56.6 | Low | 63.9 | Low | 129 Ų | 129 | 113.3 Ų | 113.3 | 78% | 0.782 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -8.6 | 179 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | L362 | L362-V366 PolarHBondContact O-N 3.29Š|
| 367 | K | 50.4 | Low | 62.1 | Low | 179 Ų | 179 | 112.2 Ų | 112.2 | 78% | 0.778 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | 11.7 | 179.7 | -78.2 | -173.6 | 176.1 | -179.8 | 0 | 114.6 | V365 | V365-K367 VanDerWaalsContact C-N 3.33Š|
| 368 | V | 45.7 | Very low | 60.1 | Low | 186 Ų | 186 | 119.4 Ų | 119.4 | 100% | 1.127 | 64% | 0.642 | S | S | * | * | trans | -101.9 | 0 | 178.2 | -179 | 0 | 0 | 0 | 0 | 110.8 |
Retrieved 368 of 368 residues in 136.5 ms
(Link to these results)