| 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 | 33.7 | Very low | 31.5 | Very low | 223 Ų | 223 | 152.6 Ų | 152.6 | 100% | 1.099 | 84% | 0.84 | S | S | * | * | 0 | 88.9 | 0 | -71 | -169.9 | -176.5 | 0 | 0 | 111.4 | |||||
| 2 | D | 37.4 | Very low | 31.4 | Very low | 142 Ų | 142 | 151.6 Ų | 151.6 | 76% | 0.759 | 83% | 0.832 | S | S | * | * | cis | -158.9 | 135.4 | -39.2 | -81.8 | -38.6 | 0 | 0 | 0 | 105.3 | ||||
| 3 | Y | 31 | Very low | 31.1 | Very low | 237 Ų | 237 | 153.2 Ų | 153.2 | 93% | 0.929 | 83% | 0.83 | S | S | * | * | trans | -111.5 | 135 | 176.3 | -88.9 | -87.7 | 0 | 0 | 0 | 108.9 | ||||
| 4 | P | 39.3 | Very low | 31.1 | Very low | 116 Ų | 116 | 153.6 Ų | 153.6 | 75% | 0.753 | 83% | 0.832 | S | S | * | * | trans | -89.2 | 160.7 | -165.3 | 35.2 | -37.1 | 0 | 0 | 0 | 114.9 | ||||
| 5 | D | 32.2 | Very low | 30.9 | Very low | 155 Ų | 155 | 156.7 Ų | 156.7 | 83% | 0.829 | 84% | 0.838 | S | S | * | * | trans | -16.4 | 127.2 | 174.9 | -66.7 | -46.8 | 0 | 0 | 0 | 119.3 | ||||
| 6 | P | 29.8 | Very low | 31.2 | Very low | 126 Ų | 126 | 158.3 Ų | 158.3 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | trans | -124.8 | 75.7 | 156.5 | 37.8 | -22.5 | 0 | 0 | 0 | 111.4 | ||||
| 7 | D | 31.2 | Very low | 31.2 | Very low | 166 Ų | 166 | 160.4 Ų | 160.4 | 89% | 0.888 | 84% | 0.843 | S | S | * | * | trans | -139.9 | 68.1 | 175.8 | -121.7 | -24.2 | 0 | 0 | 0 | 111.3 | ||||
| 8 | A | 28.9 | Very low | 31.4 | Very low | 108 Ų | 108 | 157.8 Ų | 157.8 | 89% | 0.893 | 83% | 0.829 | S | S | * | * | trans | -158 | 94.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 9 | G | 25.7 | Very low | 31.4 | Very low | 64 Ų | 64 | 153.8 Ų | 153.8 | 66% | 0.66 | 81% | 0.813 | S | S | * | * | trans | 130.5 | 107.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 10 | Y | 31.8 | Very low | 31.4 | Very low | 217 Ų | 217 | 154.8 Ų | 154.8 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | -141.8 | 140.5 | 103 | -96.2 | -83.2 | 0 | 0 | 0 | 107.8 | |||||
| 11 | V | 25.6 | Very low | 31.5 | Very low | 125 Ų | 125 | 151 Ų | 151 | 76% | 0.758 | 81% | 0.806 | S | S | * | * | trans | -130.9 | 98.2 | 172.3 | 177.7 | 0 | 0 | 0 | 0 | 104.3 | E13 | V11-E13 HydrophobicContact CG1-CG 4.32Å; V11-E13 PolarHBondContact O-N 3.42Å | ||
| 12 | D | 30.4 | Very low | 31.6 | Very low | 140 Ų | 140 | 145.1 Ų | 145.1 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -90.6 | 96.7 | 179.3 | -63.1 | -26.5 | 0 | 0 | 0 | 107.7 | ||||
| 13 | E | 27.6 | Very low | 31.4 | Very low | 172 Ų | 172 | 145.9 Ų | 145.9 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -78.6 | 112.4 | 162.8 | -60.6 | 176.8 | 133.6 | 0 | 0 | 107.4 | V11 | V11-E13 HydrophobicContact CG1-CG 4.32Å; V11-E13 PolarHBondContact O-N 3.42Å | ||
| 14 | D | 31 | Very low | 31.5 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | trans | -172.2 | 75.3 | 160 | -93.5 | -29 | 0 | 0 | 0 | 109.5 | ||||
| 15 | E | 28.6 | Very low | 31.3 | Very low | 199 Ų | 199 | 143 Ų | 143 | 93% | 0.93 | 76% | 0.756 | S | S | * | * | trans | -87.2 | 100.6 | 162.3 | -75.6 | -170.1 | 147.9 | 0 | 0 | 108.6 | ||||
| 16 | E | 35.2 | Very low | 31.6 | Very low | 182 Ų | 182 | 138.5 Ų | 138.5 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | trans | -68.7 | 131.8 | 174.7 | -69.2 | -167.1 | 130.7 | 0 | 0 | 111.5 | I18 | E16-I18 PolarHBondContact O-N 3.43Š| ||
| 17 | E | 31.8 | Very low | 31.9 | Very low | 194 Ų | 194 | 135.7 Ų | 135.7 | 91% | 0.907 | 72% | 0.717 | S | S | * | * | trans | -71.6 | 94.6 | -177.2 | -71.9 | -168.2 | 119.5 | 0 | 0 | 112.5 | P19 | E17-P19 WeakPolarHBondContact O-CD 3.42Š| ||
| 18 | I | 33.4 | Very low | 32.8 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 59% | 0.59 | 70% | 0.696 | S | S | * | * | trans | -59.3 | 124 | 168.7 | -62.2 | 175.6 | 0 | 0 | 0 | 109.8 | E16 E22 | E16-I18 PolarHBondContact O-N 3.43Å; I18-E22 HydrophobicContact CG2-CB 3.77Å | ||
| 19 | P | 32.2 | Very low | 34.2 | Very low | 82 Ų | 82 | 129.2 Ų | 129.2 | 53% | 0.532 | 67% | 0.674 | S | S | . | * | trans | -60.4 | 145.5 | -179.8 | -24.8 | 34.9 | 0 | 0 | 0 | 113.4 | E17 A21 E22 | E17-P19 WeakPolarHBondContact O-CD 3.42Å; P19-A21 PolarHBondContact O-N 3.29Å; P19-E22 PolarHBondContact O-N 3.17Å | ||
| 20 | M | 32.2 | Very low | 36.5 | Very low | 172 Ų | 172 | 129.6 Ų | 129.6 | 85% | 0.847 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.3 | -25.5 | -174.6 | -89.9 | -178.8 | 173.9 | 0 | 0 | 115.6 | R23 | M20-R23 PolarHBondContact O-N 2.99Š|
| 21 | A | 33.3 | Very low | 38.8 | Very low | 75 Ų | 75 | 123.3 Ų | 123.3 | 62% | 0.62 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -35.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | P19 R23 E24 | P19-A21 PolarHBondContact O-N 3.29Å; A21-R23 PolarHBondContact O-N 2.66Å; A21-E24 PolarHBondContact O-N 2.83Å |
| 22 | E | 35 | Very low | 41.4 | Very low | 100 Ų | 100 | 121.2 Ų | 121.2 | 47% | 0.467 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -71.2 | -25.9 | 175.5 | -67.9 | -171.8 | 113.8 | 0 | 0 | 111.2 | I18 P19 E24 L25 A26 | I18-E22 HydrophobicContact CG2-CB 3.77Å; P19-E22 PolarHBondContact O-N 3.17Å; E22-E24 VanDerWaalsContact C-N 3.26Å; E22-E24 PolarHBondContact O-N 3.49Å; E22-L25 PolarHBondContact O-N 3.03Å; E22-A26 WeakPolarHBondContact O-CB 3.45Å; E22-A26 PolarHBondContact O-N 3.19Å |
| 23 | R | 33.5 | Very low | 44 | Very low | 159 Ų | 159 | 119.3 Ų | 119.3 | 60% | 0.6 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -73.3 | -6.9 | 177.7 | -158.4 | 168.9 | -171.5 | 155.4 | 7 | 114.8 | M20 A21 E27 | M20-R23 PolarHBondContact O-N 2.99Å; A21-R23 PolarHBondContact O-N 2.66Å; R23-E27 HydrophobicContact CG-CG 4.32Å; R23-E27 WeakPolarHBondContact CG-OE1 3.43Å; R23-E27 IonicContact NE-OE1 3.48Å; R23-E27 PolarHBondContact NE-OE1 2.93Å; R23-E27 VanDerWaalsContact O-CD 3.22Å; R23-E27 WeakPolarHBondContact O-CG 3.47Å |
| 24 | E | 32.3 | Very low | 46.9 | Very low | 167 Ų | 167 | 111.6 Ų | 111.6 | 78% | 0.78 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -99.7 | -20.1 | 169.4 | -67.5 | -166.8 | 145.2 | 0 | 0 | 113.3 | A21 E22 | A21-E24 PolarHBondContact O-N 2.83Å; E22-E24 VanDerWaalsContact C-N 3.26Å; E22-E24 PolarHBondContact O-N 3.49Å |
| 25 | L | 34.8 | Very low | 49.8 | Very low | 124 Ų | 124 | 104.4 Ų | 104.4 | 65% | 0.649 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -94.4 | -35.4 | 179.5 | -76.4 | 165.8 | 0 | 0 | 0 | 113.4 | E22 | E22-L25 PolarHBondContact O-N 3.03Å |
| 26 | A | 39.5 | Very low | 52.8 | Low | 62 Ų | 62 | 96.9 Ų | 96.9 | 51% | 0.512 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -74.2 | -33.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E22 D28 A29 | E22-A26 WeakPolarHBondContact O-CB 3.45Å; E22-A26 PolarHBondContact O-N 3.19Å; A26-D28 PolarHBondContact O-N 3.44Å; A26-A29 WeakPolarHBondContact O-CB 3.31Å; A26-A29 PolarHBondContact O-N 2.97Å; A26-A29 VanDerWaalsContact O-N 3.11Å |
| 27 | E | 36.6 | Very low | 55.4 | Low | 67 Ų | 67 | 90.6 Ų | 90.6 | 31% | 0.313 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -20.6 | -171.9 | -63.4 | -163 | 164.5 | 0 | 0 | 113.6 | R23 A29 R241 | R23-E27 HydrophobicContact CG-CG 4.32Å; R23-E27 WeakPolarHBondContact CG-OE1 3.43Å; R23-E27 IonicContact NE-OE1 3.48Å; R23-E27 PolarHBondContact NE-OE1 2.93Å; R23-E27 VanDerWaalsContact O-CD 3.22Å; R23-E27 WeakPolarHBondContact O-CG 3.47Å; E27-A29 VanDerWaalsContact C-N 3.29Å; E27-A29 PolarHBondContact O-N 2.83Å; E27-R241 VanDerWaalsContact CG-NH2 3.27Å; E27-R241 IonicContact OE1-CZ 2.81Å; E27-R241 IonicContact OE1-NH2 2.62Å; E27-R241 PolarHBondContact OE1-NH2 2.85Å; E27-R241 IonicContact OE2-CZ 3.65Å; E27-R241 IonicContact OE2-NH2 2.68Å; E27-R241 PolarHBondContact OE2-NH2 3.42Å |
| 28 | D | 48.6 | Very low | 58.4 | Low | 84 Ų | 84 | 81.4 Ų | 81.4 | 45% | 0.449 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 5.9 | 175.7 | -161.7 | 34.7 | 0 | 0 | 0 | 112.9 | A26 W31 K32 | A26-D28 PolarHBondContact O-N 3.44Å; D28-W31 PolarHBondContact O-NE1 3.11Å; D28-W31 PolarHBondContact OD1-NE1 3.12Å; D28-K32 VanDerWaalsContact O-CD 3.26Å; D28-K32 WeakPolarHBondContact O-CD 3.44Å; D28-K32 WeakPolarHBondContact O-CE 3.36Å; D28-K32 PolarHBondContact O-NZ 2.94Å; D28-K32 IonicContact OD1-NZ 3.47Å; D28-K32 IonicContact OD2-NZ 2.79Å; D28-K32 PolarHBondContact OD2-NZ 3.05Å |
| 29 | A | 60 | Low | 61.4 | Low | 53 Ų | 53 | 75.9 Ų | 75.9 | 44% | 0.438 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -44.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A26 E27 W31 K32 L33 | A26-A29 WeakPolarHBondContact O-CB 3.31Å; A26-A29 PolarHBondContact O-N 2.97Å; A26-A29 VanDerWaalsContact O-N 3.11Å; E27-A29 VanDerWaalsContact C-N 3.29Å; E27-A29 PolarHBondContact O-N 2.83Å; A29-W31 PolarHBondContact O-N 2.88Å; A29-K32 WeakPolarHBondContact O-CB 3.48Å; A29-K32 PolarHBondContact O-N 3.26Å; A29-K32 VanDerWaalsContact O-N 3.11Å; A29-L33 PolarHBondContact O-N 3.35Å |
| 30 | E | 72.4 | Confident | 64.3 | Low | 73 Ų | 73 | 72.7 Ų | 72.7 | 34% | 0.341 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -54.9 | -46.9 | -172.3 | -74.8 | -176.9 | 84.3 | 0 | 0 | 113.3 | K32 L33 I34 N239 R241 | E30-K32 PolarHBondContact O-N 2.8Å; E30-L33 WeakPolarHBondContact O-CB 3.48Å; E30-L33 PolarHBondContact O-N 2.83Å; E30-L33 VanDerWaalsContact O-N 3.09Å; E30-I34 WeakPolarHBondContact O-CG1 3.25Å; E30-I34 PolarHBondContact O-N 2.98Å; E30-N239 PolarHBondContact OE1-ND2 3.09Å; E30-R241 WeakPolarHBondContact OE2-CD 3.43Å; E30-R241 IonicContact OE2-CZ 2.87Å; E30-R241 IonicContact OE2-NE 2.71Å; E30-R241 IonicContact OE2-NH1 3.4Å; E30-R241 PolarHBondContact OE2-NH1 3.35Å |
| 31 | W | 81.2 | Confident | 67.3 | Low | 84 Ų | 84 | 67 Ų | 67 | 32% | 0.318 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.5 | -32.7 | -176.9 | 75 | -100.9 | 0 | 0 | 0 | 112.1 | D28 A29 Q35 R241 D243 | D28-W31 PolarHBondContact O-NE1 3.11Å; D28-W31 PolarHBondContact OD1-NE1 3.12Å; A29-W31 PolarHBondContact O-N 2.88Å; W31-Q35 WeakPolarHBondContact O-CB 3.47Å; W31-Q35 PolarHBondContact O-N 3.18Å; W31-R241 WeakPolarHBondContact CB-O 3.37Å; W31-D243 HydrophobicContact CB-CB 4.31Å; W31-D243 HydrophobicContact CE3-CB 4.04Å |
| 32 | K | 79.6 | Confident | 70.3 | Confident | 81 Ų | 81 | 63.6 Ų | 63.6 | 35% | 0.352 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -70.5 | -35.3 | 176.4 | -60.7 | 171.1 | -173.2 | 147 | 0 | 111.3 | D28 A29 E30 K36 | D28-K32 VanDerWaalsContact O-CD 3.26Å; D28-K32 WeakPolarHBondContact O-CD 3.44Å; D28-K32 WeakPolarHBondContact O-CE 3.36Å; D28-K32 PolarHBondContact O-NZ 2.94Å; D28-K32 IonicContact OD1-NZ 3.47Å; D28-K32 IonicContact OD2-NZ 2.79Å; D28-K32 PolarHBondContact OD2-NZ 3.05Å; A29-K32 WeakPolarHBondContact O-CB 3.48Å; A29-K32 PolarHBondContact O-N 3.26Å; A29-K32 VanDerWaalsContact O-N 3.11Å; E30-K32 PolarHBondContact O-N 2.8Å; K32-K36 VanDerWaalsContact O-CB 3.27Å; K32-K36 WeakPolarHBondContact O-CB 3.25Å; K32-K36 PolarHBondContact O-N 2.83Å |
| 33 | L | 85 | Confident | 73.2 | Confident | 101 Ų | 101 | 58.9 Ų | 58.9 | 53% | 0.529 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.9 | -45.9 | 174.6 | -176.6 | 60.9 | 0 | 0 | 0 | 111.2 | A29 E30 Q35 K36 N37 | A29-L33 PolarHBondContact O-N 3.35Å; E30-L33 WeakPolarHBondContact O-CB 3.48Å; E30-L33 PolarHBondContact O-N 2.83Å; E30-L33 VanDerWaalsContact O-N 3.09Å; L33-Q35 VanDerWaalsContact C-N 3.31Å; L33-Q35 PolarHBondContact O-N 2.79Å; L33-K36 PolarHBondContact O-N 2.88Å; L33-N37 WeakPolarHBondContact O-CB 3.48Å; L33-N37 PolarHBondContact O-N 2.86Å; L33-N37 PolarHBondContact O-OD1 3.04Å |
| 34 | I | 89.6 | Confident | 76.1 | Confident | 10 Ų | 10 | 53.1 Ų | 53.1 | 5% | 0.051 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.5 | -43.1 | 175.3 | -64.1 | 167.4 | 0 | 0 | 0 | 111 | E30 T38 I232 E236 N239 V242 A246 | E30-I34 WeakPolarHBondContact O-CG1 3.25Å; E30-I34 PolarHBondContact O-N 2.98Å; I34-T38 VanDerWaalsContact O-CB 3.31Å; I34-T38 WeakPolarHBondContact O-CB 3.27Å; I34-T38 PolarHBondContact O-N 2.83Å; I34-T38 PolarHBondContact O-OG1 2.89Å; I34-I232 HydrophobicContact CG2-CD1 4.03Å; I34-I232 HydrophobicContact CG2-CG1 4.39Å; I34-E236 HydrophobicContact CG1-CB 4.27Å; I34-E236 HydrophobicContact CG1-CG 4.2Å; I34-E236 HydrophobicContact CG2-CB 3.93Å; I34-E236 HydrophobicContact CG2-CG 4.41Å; I34-N239 HydrophobicContact CD1-CB 4.04Å; I34-V242 HydrophobicContact CG2-CG2 4.17Å; I34-A246 HydrophobicContact CG2-CB 4.02Å |
| 35 | Q | 90.6 | Very high | 79 | Confident | 9 Ų | 9 | 48.2 Ų | 48.2 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.2 | -49 | 174.9 | -171 | 168.6 | 113.2 | 0 | 0 | 112 | W31 L33 T38 F39 D243 | W31-Q35 WeakPolarHBondContact O-CB 3.47Å; W31-Q35 PolarHBondContact O-N 3.18Å; L33-Q35 VanDerWaalsContact C-N 3.31Å; L33-Q35 PolarHBondContact O-N 2.79Å; Q35-T38 PolarHBondContact O-N 2.97Å; Q35-F39 HydrophobicContact CG-CD1 4.34Å; Q35-F39 HydrophobicContact CG-CD2 4Å; Q35-F39 HydrophobicContact CG-CE1 3.86Å; Q35-F39 HydrophobicContact CG-CE2 3.47Å; Q35-F39 VanDerWaalsContact CG-CE2 3.47Å; Q35-F39 HydrophobicContact CG-CG 4.4Å; Q35-F39 HydrophobicContact CG-CZ 3.4Å; Q35-F39 WeakPolarHBondContact O-CB 3.31Å; Q35-F39 WeakPolarHBondContact O-CD1 3.48Å; Q35-F39 VanDerWaalsContact O-CG 3.25Å; Q35-F39 WeakPolarHBondContact O-CG 3.45Å; Q35-F39 PolarHBondContact O-N 2.8Å; Q35-D243 WeakPolarHBondContact CB-OD1 3.3Å; Q35-D243 PolarHBondContact NE2-OD1 2.91Å; Q35-D243 PolarHBondContact NE2-OD2 2.87Å |
| 36 | K | 91.5 | Very high | 81.8 | Confident | 41 Ų | 41 | 45.2 Ų | 45.2 | 18% | 0.178 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.5 | -51.9 | 177.6 | -180 | 176 | 175.3 | 172.9 | 0 | 111.2 | K32 L33 T38 F39 T40 D56 L128 | K32-K36 VanDerWaalsContact O-CB 3.27Å; K32-K36 WeakPolarHBondContact O-CB 3.25Å; K32-K36 PolarHBondContact O-N 2.83Å; L33-K36 PolarHBondContact O-N 2.88Å; K36-T38 VanDerWaalsContact C-N 3.34Å; K36-T38 PolarHBondContact O-N 2.93Å; K36-F39 PolarHBondContact O-N 3.21Å; K36-T40 WeakPolarHBondContact O-CB 3.38Å; K36-T40 PolarHBondContact O-N 3.47Å; K36-T40 PolarHBondContact O-OG1 2.94Å; K36-D56 VanDerWaalsContact CE-CG 3.41Å; K36-D56 WeakPolarHBondContact CE-OD1 3.38Å; K36-D56 WeakPolarHBondContact CE-OD2 3.36Å; K36-D56 IonicContact NZ-OD1 3.23Å; K36-D56 PolarHBondContact NZ-OD1 3.2Å; K36-D56 IonicContact NZ-OD2 2.77Å; K36-D56 PolarHBondContact NZ-OD2 2.86Å; K36-L128 HydrophobicContact CB-CD2 4.06Å |
| 37 | N | 91.2 | Very high | 84.4 | Confident | 50 Ų | 50 | 42.2 Ų | 42.2 | 27% | 0.267 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -55.4 | -49.4 | 176.7 | -69.7 | -2.4 | 0 | 0 | 0 | 111.4 | L33 F39 T40 R41 E236 | L33-N37 WeakPolarHBondContact O-CB 3.48Å; L33-N37 PolarHBondContact O-N 2.86Å; L33-N37 PolarHBondContact O-OD1 3.04Å; N37-F39 VanDerWaalsContact C-N 3.34Å; N37-F39 PolarHBondContact O-N 2.91Å; N37-T40 WeakPolarHBondContact O-CB 3.45Å; N37-T40 PolarHBondContact O-N 3.26Å; N37-R41 WeakPolarHBondContact O-CG 3.37Å; N37-R41 PolarHBondContact O-N 2.83Å; N37-E236 WeakPolarHBondContact CB-OE1 3.44Å; N37-E236 PolarHBondContact ND2-OE1 2.67Å |
| 38 | T | 94.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.3 | -39.2 | -177.2 | -56.4 | 0 | 0 | 0 | 0 | 112.4 | I34 Q35 K36 R41 W42 L231 I232 A246 T249 | I34-T38 VanDerWaalsContact O-CB 3.31Å; I34-T38 WeakPolarHBondContact O-CB 3.27Å; I34-T38 PolarHBondContact O-N 2.83Å; I34-T38 PolarHBondContact O-OG1 2.89Å; Q35-T38 PolarHBondContact O-N 2.97Å; K36-T38 VanDerWaalsContact C-N 3.34Å; K36-T38 PolarHBondContact O-N 2.93Å; T38-R41 PolarHBondContact O-N 3.11Å; T38-W42 WeakPolarHBondContact O-CB 3.26Å; T38-W42 PolarHBondContact O-N 3.45Å; T38-L231 VanDerWaalsContact CA-O 3.31Å; T38-L231 WeakPolarHBondContact CA-O 3.49Å; T38-L231 HydrophobicContact CG2-CB 4.27Å; T38-I232 HydrophobicContact CG2-CB 4.34Å; T38-A246 HydrophobicContact CG2-CB 4.1Å; T38-T249 HydrophobicContact CG2-CG2 4.11Å |
| 39 | F | 96.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.5 | -35.5 | 177.5 | -69.9 | 6.5 | 0 | 0 | 0 | 112.2 | Q35 K36 N37 W42 A43 L57 L128 I131 W132 I135 K245 T249 | Q35-F39 HydrophobicContact CG-CD1 4.34Å; Q35-F39 HydrophobicContact CG-CD2 4Å; Q35-F39 HydrophobicContact CG-CE1 3.86Å; Q35-F39 HydrophobicContact CG-CE2 3.47Å; Q35-F39 VanDerWaalsContact CG-CE2 3.47Å; Q35-F39 HydrophobicContact CG-CG 4.4Å; Q35-F39 HydrophobicContact CG-CZ 3.4Å; Q35-F39 WeakPolarHBondContact O-CB 3.31Å; Q35-F39 WeakPolarHBondContact O-CD1 3.48Å; Q35-F39 VanDerWaalsContact O-CG 3.25Å; Q35-F39 WeakPolarHBondContact O-CG 3.45Å; Q35-F39 PolarHBondContact O-N 2.8Å; K36-F39 PolarHBondContact O-N 3.21Å; N37-F39 VanDerWaalsContact C-N 3.34Å; N37-F39 PolarHBondContact O-N 2.91Å; F39-W42 PolarHBondContact O-N 2.87Å; F39-A43 WeakPolarHBondContact O-CB 3.4Å; F39-A43 PolarHBondContact O-N 2.87Å; F39-L57 HydrophobicContact CB-CD2 3.7Å; F39-L57 HydrophobicContact CD2-CD2 4.5Å; F39-L128 HydrophobicContact CD2-CB 4.36Å; F39-L128 HydrophobicContact CD2-CD2 3.67Å; F39-L128 HydrophobicContact CE2-CB 4.31Å; F39-L128 HydrophobicContact CE2-CD2 4.28Å; F39-L128 VanDerWaalsContact CE2-O 3.3Å; F39-L128 WeakPolarHBondContact CE2-O 3.47Å; F39-L128 HydrophobicContact CG-CD2 4.47Å; F39-I131 HydrophobicContact CB-CG2 3.77Å; F39-I131 HydrophobicContact CD2-CB 4.25Å; F39-I131 HydrophobicContact CD2-CG2 4.05Å; F39-I131 HydrophobicContact CG-CG2 4.04Å; F39-W132 HydrophobicContact CE1-CE3 4.06Å; F39-W132 HydrophobicContact CE2-CB 3.77Å; F39-W132 HydrophobicContact CZ-CB 3.84Å; F39-W132 HydrophobicContact CZ-CD2 4.31Å; F39-W132 AromaticContact CZ-CE3 3.78Å; F39-W132 HydrophobicContact CZ-CE3 3.78Å; F39-W132 HydrophobicContact CZ-CG 4.38Å; F39-I135 HydrophobicContact CB-CD1 4.42Å; F39-I135 HydrophobicContact CD1-CD1 3.35Å; F39-I135 HydrophobicContact CD2-CD1 4.33Å; F39-I135 HydrophobicContact CE1-CD1 3.61Å; F39-I135 HydrophobicContact CG-CD1 3.77Å; F39-I135 HydrophobicContact CZ-CD1 4.21Å; F39-K245 HydrophobicContact CE1-CB 4.18Å; F39-K245 HydrophobicContact CZ-CB 3.83Å; F39-K245 HydrophobicContact CZ-CD 4.27Å; F39-T249 WeakPolarHBondContact CE1-OG1 3.17Å |
| 40 | T | 93.9 | Very high | 89.5 | Confident | 15 Ų | 15 | 47.3 Ų | 47.3 | 9% | 0.092 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.6 | -48.9 | 170.1 | -60.9 | 0 | 0 | 0 | 0 | 111.2 | K36 N37 W42 A43 N44 V54 | K36-T40 WeakPolarHBondContact O-CB 3.38Å; K36-T40 PolarHBondContact O-N 3.47Å; K36-T40 PolarHBondContact O-OG1 2.94Å; N37-T40 WeakPolarHBondContact O-CB 3.45Å; N37-T40 PolarHBondContact O-N 3.26Å; T40-W42 VanDerWaalsContact C-N 3.34Å; T40-W42 PolarHBondContact O-N 2.71Å; T40-A43 PolarHBondContact O-N 3.43Å; T40-N44 WeakPolarHBondContact O-CB 3.46Å; T40-N44 PolarHBondContact O-N 3.23Å; T40-N44 PolarHBondContact O-ND2 2.76Å; T40-V54 HydrophobicContact CG2-CG1 4.38Å; T40-V54 VanDerWaalsContact CG2-O 3.24Å; T40-V54 WeakPolarHBondContact CG2-O 3.34Å |
| 41 | R | 95.1 | Very high | 90.2 | Very high | 53 Ų | 53 | 51.1 Ų | 51.1 | 20% | 0.2 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62 | -40.4 | 177.6 | -63.9 | -171.3 | -152.2 | 98.6 | -1.2 | 111.5 | N37 T38 N44 E45 Q230 L231 H233 E236 | N37-R41 WeakPolarHBondContact O-CG 3.37Å; N37-R41 PolarHBondContact O-N 2.83Å; T38-R41 PolarHBondContact O-N 3.11Å; R41-N44 PolarHBondContact O-N 2.88Å; R41-E45 PolarHBondContact O-N 2.92Å; R41-E45 VanDerWaalsContact O-N 3.09Å; R41-Q230 WeakPolarHBondContact CD-O 3.39Å; R41-L231 HydrophobicContact CB-CB 4.49Å; R41-L231 HydrophobicContact CB-CD2 4.17Å; R41-L231 WeakPolarHBondContact CD-O 3.2Å; R41-L231 PolarHBondContact NH1-O 2.89Å; R41-H233 PolarHBondContact NE-NE2 2.89Å; R41-H233 PolarHBondContact NH2-CD2 2.78Å; R41-H233 PolarHBondContact NH2-NE2 2.63Å; R41-E236 IonicContact CZ-OE1 3.13Å; R41-E236 IonicContact CZ-OE2 2.65Å; R41-E236 IonicContact NH1-OE1 2.74Å; R41-E236 PolarHBondContact NH1-OE1 2.83Å; R41-E236 IonicContact NH1-OE2 3.38Å; R41-E236 PolarHBondContact NH1-OE2 3.48Å; R41-E236 IonicContact NH2-OE1 3.87Å; R41-E236 PolarHBondContact NH2-OE1 3.21Å; R41-E236 IonicContact NH2-OE2 3.76Å; R41-E236 PolarHBondContact NH2-OE2 3.22Å |
| 42 | W | 96.3 | Very high | 90.4 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 1% | 0.011 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.3 | -48.3 | 174.7 | 179.3 | 89.3 | 0 | 0 | 0 | 112.5 | T38 F39 T40 N44 E45 H46 L70 L74 I131 L134 I135 S139 L231 T249 | T38-W42 WeakPolarHBondContact O-CB 3.26Å; T38-W42 PolarHBondContact O-N 3.45Å; F39-W42 PolarHBondContact O-N 2.87Å; T40-W42 VanDerWaalsContact C-N 3.34Å; T40-W42 PolarHBondContact O-N 2.71Å; W42-N44 VanDerWaalsContact C-N 3.3Å; W42-N44 PolarHBondContact O-N 3.36Å; W42-E45 PolarHBondContact O-N 2.94Å; W42-H46 AromaticContact CD2-CD2 3.79Å; W42-H46 AromaticContact CE2-CD2 3.43Å; W42-H46 VanDerWaalsContact CE2-CD2 3.43Å; W42-H46 AromaticContact CE2-NE2 3.43Å; W42-H46 AromaticContact CZ2-CD2 3.68Å; W42-H46 AromaticContact CZ2-NE2 3.64Å; W42-H46 AromaticContact NE1-CD2 3.72Å; W42-H46 AromaticContact NE1-NE2 3.36Å; W42-H46 PolarHBondContact NE1-NE2 3.02Å; W42-H46 PolarHBondContact O-CD2 2.64Å; W42-H46 PolarHBondContact O-N 3.36Å; W42-L70 HydrophobicContact CZ3-CD1 4.29Å; W42-L70 HydrophobicContact CZ3-CD2 4.36Å; W42-L74 HydrophobicContact CH2-CD1 3.65Å; W42-L74 HydrophobicContact CH2-CD2 3.66Å; W42-L74 HydrophobicContact CH2-CG 4.31Å; W42-L74 HydrophobicContact CZ2-CD2 3.76Å; W42-L74 HydrophobicContact CZ3-CD1 4.27Å; W42-I131 HydrophobicContact CE3-CG2 4.14Å; W42-I131 HydrophobicContact CZ3-CG2 4.23Å; W42-L134 HydrophobicContact CH2-CB 3.86Å; W42-L134 HydrophobicContact CZ3-CB 4.25Å; W42-I135 HydrophobicContact CD2-CD1 4.05Å; W42-I135 HydrophobicContact CD2-CG1 3.37Å; W42-I135 VanDerWaalsContact CE2-CG1 3.42Å; W42-I135 HydrophobicContact CE3-CD1 4.13Å; W42-I135 HydrophobicContact CE3-CG1 3.62Å; W42-I135 HydrophobicContact CG-CD1 4.23Å; W42-I135 HydrophobicContact CG-CG1 3.87Å; W42-I135 HydrophobicContact CH2-CG1 3.95Å; W42-I135 HydrophobicContact CZ2-CB 4.33Å; W42-I135 HydrophobicContact CZ2-CG1 3.74Å; W42-I135 HydrophobicContact CZ3-CG1 3.9Å; W42-S139 PolarHBondContact NE1-OG 2.91Å; W42-L231 HydrophobicContact CB-CD1 4.05Å; W42-L231 HydrophobicContact CG-CD1 4.33Å; W42-T249 HydrophobicContact CB-CG2 3.87Å; W42-T249 HydrophobicContact CG-CG2 3.88Å |
| 43 | A | 95.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F39 T40 E45 H46 L47 L57 L70 | F39-A43 WeakPolarHBondContact O-CB 3.4Å; F39-A43 PolarHBondContact O-N 2.87Å; T40-A43 PolarHBondContact O-N 3.43Å; A43-E45 PolarHBondContact O-N 2.65Å; A43-H46 PolarHBondContact O-N 3.32Å; A43-L47 WeakPolarHBondContact O-CB 3.46Å; A43-L47 VanDerWaalsContact O-CG 3.25Å; A43-L47 WeakPolarHBondContact O-CG 3.38Å; A43-L47 PolarHBondContact O-N 2.77Å; A43-L57 HydrophobicContact CB-CD1 4.13Å; A43-L70 HydrophobicContact CB-CD1 4.28Å; A43-L70 HydrophobicContact CB-CD2 4.06Å |
| 44 | N | 95.2 | Very high | 91 | Very high | 38 Ų | 38 | 44.3 Ų | 44.3 | 20% | 0.203 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.2 | -37 | 176.8 | -79.3 | -33.2 | 0 | 0 | 0 | 113.5 | T40 R41 W42 H46 L47 K48 T53 V54 | T40-N44 WeakPolarHBondContact O-CB 3.46Å; T40-N44 PolarHBondContact O-N 3.23Å; T40-N44 PolarHBondContact O-ND2 2.76Å; R41-N44 PolarHBondContact O-N 2.88Å; W42-N44 VanDerWaalsContact C-N 3.3Å; W42-N44 PolarHBondContact O-N 3.36Å; N44-H46 VanDerWaalsContact C-N 3.32Å; N44-H46 PolarHBondContact O-N 3Å; N44-L47 PolarHBondContact O-N 2.82Å; N44-K48 WeakPolarHBondContact O-CB 3.21Å; N44-K48 PolarHBondContact O-N 3.1Å; N44-T53 WeakPolarHBondContact OD1-CA 3.28Å; N44-V54 PolarHBondContact ND2-O 3.5Å; N44-V54 PolarHBondContact OD1-N 3.35Å; N44-V54 PolarHBondContact OD1-O 2.8Å |
| 45 | E | 93.3 | Very high | 90.9 | Very high | 65 Ų | 65 | 48 Ų | 48 | 30% | 0.304 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.7 | -36.9 | 177.1 | -161.6 | 62.6 | -150.1 | 0 | 0 | 111.9 | R41 W42 A43 K48 P229 L231 | R41-E45 PolarHBondContact O-N 2.92Å; R41-E45 VanDerWaalsContact O-N 3.09Å; W42-E45 PolarHBondContact O-N 2.94Å; A43-E45 PolarHBondContact O-N 2.65Å; E45-K48 VanDerWaalsContact O-CB 3.29Å; E45-K48 WeakPolarHBondContact O-CB 3.35Å; E45-K48 VanDerWaalsContact OE1-CD 3.26Å; E45-K48 WeakPolarHBondContact OE1-CD 3.47Å; E45-K48 IonicContact OE1-NZ 3.29Å; E45-K48 PolarHBondContact OE1-NZ 3.36Å; E45-K48 WeakPolarHBondContact OE2-CD 3.39Å; E45-K48 IonicContact OE2-NZ 3.26Å; E45-K48 PolarHBondContact OE2-NZ 2.88Å; E45-P229 HydrophobicContact CG-CG 3.85Å; E45-L231 HydrophobicContact CB-CD2 4.37Å |
| 46 | H | 92.8 | Very high | 90.5 | Very high | 60 Ų | 60 | 49.2 Ų | 49.2 | 28% | 0.278 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -76.1 | -26.1 | 173.9 | -72.9 | -70.7 | 0 | 0 | 0 | 113.9 | W42 A43 N44 P49 L70 S73 L74 | W42-H46 AromaticContact CD2-CD2 3.79Å; W42-H46 AromaticContact CE2-CD2 3.43Å; W42-H46 VanDerWaalsContact CE2-CD2 3.43Å; W42-H46 AromaticContact CE2-NE2 3.43Å; W42-H46 AromaticContact CZ2-CD2 3.68Å; W42-H46 AromaticContact CZ2-NE2 3.64Å; W42-H46 AromaticContact NE1-CD2 3.72Å; W42-H46 AromaticContact NE1-NE2 3.36Å; W42-H46 PolarHBondContact NE1-NE2 3.02Å; W42-H46 PolarHBondContact O-CD2 2.64Å; W42-H46 PolarHBondContact O-N 3.36Å; A43-H46 PolarHBondContact O-N 3.32Å; N44-H46 VanDerWaalsContact C-N 3.32Å; N44-H46 PolarHBondContact O-N 3Å; H46-P49 VanDerWaalsContact O-CD 3.27Å; H46-P49 WeakPolarHBondContact O-CD 3.3Å; H46-L70 HydrophobicContact CB-CD1 3.75Å; H46-S73 VanDerWaalsContact O-CB 3.24Å; H46-S73 WeakPolarHBondContact O-CB 3.41Å; H46-S73 PolarHBondContact O-OG 3.49Å; H46-L74 HydrophobicContact CB-CD2 4.3Å |
| 47 | L | 93.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -84.5 | -20.9 | 176.4 | -72.8 | 167.9 | 0 | 0 | 0 | 113.7 | A43 N44 P49 K50 N51 V52 V54 A69 L70 | A43-L47 WeakPolarHBondContact O-CB 3.46Å; A43-L47 VanDerWaalsContact O-CG 3.25Å; A43-L47 WeakPolarHBondContact O-CG 3.38Å; A43-L47 PolarHBondContact O-N 2.77Å; N44-L47 PolarHBondContact O-N 2.82Å; L47-P49 VanDerWaalsContact C-N 3.33Å; L47-K50 CarbonylContact O-C 3.59Å; L47-K50 WeakPolarHBondContact O-CA 3.3Å; L47-K50 PolarHBondContact O-N 3.24Å; L47-N51 PolarHBondContact O-N 3.46Å; L47-V52 HydrophobicContact CB-CB 4.33Å; L47-V52 VanDerWaalsContact CB-O 3.25Å; L47-V52 WeakPolarHBondContact CB-O 3.4Å; L47-V52 HydrophobicContact CD1-CG1 4.34Å; L47-V52 HydrophobicContact CD2-CB 4.19Å; L47-V52 HydrophobicContact CD2-CG1 4.17Å; L47-V54 HydrophobicContact CD1-CB 4.47Å; L47-V54 HydrophobicContact CD1-CG2 3.61Å; L47-A69 VanDerWaalsContact CD2-C 3.49Å; L47-A69 HydrophobicContact CD2-CB 3.63Å; L47-L70 HydrophobicContact CD2-CB 3.95Å; L47-L70 VanDerWaalsContact CD2-N 3.34Å; L47-L70 HydrophobicContact CG-CB 4.26Å; L47-L70 HydrophobicContact CG-CD1 4.26Å |
| 48 | K | 87.7 | Confident | 89.9 | Confident | 129 Ų | 129 | 47 Ų | 47 | 56% | 0.561 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -42.4 | -46.3 | 175.6 | -140 | 168 | -179.1 | 173.5 | 0 | 113.9 | N44 E45 K50 N51 | N44-K48 WeakPolarHBondContact O-CB 3.21Å; N44-K48 PolarHBondContact O-N 3.1Å; E45-K48 VanDerWaalsContact O-CB 3.29Å; E45-K48 WeakPolarHBondContact O-CB 3.35Å; E45-K48 VanDerWaalsContact OE1-CD 3.26Å; E45-K48 WeakPolarHBondContact OE1-CD 3.47Å; E45-K48 IonicContact OE1-NZ 3.29Å; E45-K48 PolarHBondContact OE1-NZ 3.36Å; E45-K48 WeakPolarHBondContact OE2-CD 3.39Å; E45-K48 IonicContact OE2-NZ 3.26Å; E45-K48 PolarHBondContact OE2-NZ 2.88Å; K48-K50 VanDerWaalsContact C-N 3.27Å; K48-K50 PolarHBondContact O-N 2.57Å; K48-N51 PolarHBondContact O-N 3.06Å; K48-N51 VanDerWaalsContact O-N 3.13Å |
| 49 | P | 81.6 | Confident | 89.5 | Confident | 110 Ų | 110 | 50.3 Ų | 50.3 | 71% | 0.714 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -69.1 | -20.8 | 179.1 | -18.2 | 33.8 | 0 | 0 | 0 | 114.2 | H46 L47 | H46-P49 VanDerWaalsContact O-CD 3.27Å; H46-P49 WeakPolarHBondContact O-CD 3.3Å; L47-P49 VanDerWaalsContact C-N 3.33Å |
| 50 | K | 82.8 | Confident | 89.3 | Confident | 71 Ų | 71 | 51.7 Ų | 51.7 | 31% | 0.309 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -93.8 | -2.1 | 174.5 | -59.2 | -157.9 | -175.8 | -136.4 | 0 | 113.2 | L47 K48 V52 A69 E72 | L47-K50 CarbonylContact O-C 3.59Å; L47-K50 WeakPolarHBondContact O-CA 3.3Å; L47-K50 PolarHBondContact O-N 3.24Å; K48-K50 VanDerWaalsContact C-N 3.27Å; K48-K50 PolarHBondContact O-N 2.57Å; K50-V52 VanDerWaalsContact C-N 3.31Å; K50-V52 HydrophobicContact CB-CG2 4.32Å; K50-V52 PolarHBondContact O-N 2.62Å; K50-A69 HydrophobicContact CD-CB 4.27Å; K50-A69 WeakPolarHBondContact CE-O 3.46Å; K50-E72 IonicContact NZ-OE2 2.8Å; K50-E72 PolarHBondContact NZ-OE2 3.38Å |
| 51 | N | 86.9 | Confident | 89.3 | Confident | 154 Ų | 154 | 51 Ų | 51 | 82% | 0.824 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 44.1 | -176 | -165.4 | 67.3 | 0 | 0 | 0 | 112.9 | L47 K48 | L47-N51 PolarHBondContact O-N 3.46Å; K48-N51 PolarHBondContact O-N 3.06Å; K48-N51 VanDerWaalsContact O-N 3.13Å |
| 52 | V | 85.8 | Confident | 89.1 | Confident | 44 Ų | 44 | 48.8 Ų | 48.8 | 27% | 0.267 | 25% | 0.253 | S | S | . | . | trans | -118.5 | 146.5 | 174.5 | 175.7 | 0 | 0 | 0 | 0 | 108.2 | L47 K50 R66 A69 | L47-V52 HydrophobicContact CB-CB 4.33Å; L47-V52 VanDerWaalsContact CB-O 3.25Å; L47-V52 WeakPolarHBondContact CB-O 3.4Å; L47-V52 HydrophobicContact CD1-CG1 4.34Å; L47-V52 HydrophobicContact CD2-CB 4.19Å; L47-V52 HydrophobicContact CD2-CG1 4.17Å; K50-V52 VanDerWaalsContact C-N 3.31Å; K50-V52 HydrophobicContact CB-CG2 4.32Å; K50-V52 PolarHBondContact O-N 2.62Å; V52-R66 HydrophobicContact CG1-CB 4.48Å; V52-R66 HydrophobicContact CG1-CG 3.9Å; V52-A69 HydrophobicContact CG2-CB 4.5Å | ||
| 53 | T | 88.3 | Confident | 88.9 | Confident | 79 Ų | 79 | 50.4 Ų | 50.4 | 49% | 0.485 | 26% | 0.263 | S | S | . | . | trans | -129.9 | 148.9 | 173 | 54.6 | 0 | 0 | 0 | 0 | 111.5 | N44 R66 | N44-T53 WeakPolarHBondContact OD1-CA 3.28Å; T53-R66 WeakPolarHBondContact O-CD 3.3Å; T53-R66 PolarHBondContact O-NE 2.89Å | ||
| 54 | V | 90.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -112.2 | 116.2 | 169.7 | 167.5 | 0 | 0 | 0 | 0 | 106 | T40 N44 L47 L57 D60 L61 R66 | T40-V54 HydrophobicContact CG2-CG1 4.38Å; T40-V54 VanDerWaalsContact CG2-O 3.24Å; T40-V54 WeakPolarHBondContact CG2-O 3.34Å; N44-V54 PolarHBondContact ND2-O 3.5Å; N44-V54 PolarHBondContact OD1-N 3.35Å; N44-V54 PolarHBondContact OD1-O 2.8Å; L47-V54 HydrophobicContact CD1-CB 4.47Å; L47-V54 HydrophobicContact CD1-CG2 3.61Å; V54-L57 HydrophobicContact CG1-CB 4.34Å; V54-L57 HydrophobicContact CG1-CD1 4.16Å; V54-D60 HydrophobicContact CB-CB 4.46Å; V54-D60 HydrophobicContact CG1-CB 4.03Å; V54-D60 HydrophobicContact CG2-CB 4.41Å; V54-L61 HydrophobicContact CG2-CD2 4.13Å; V54-R66 HydrophobicContact CG2-CB 4.05Å | ||
| 55 | D | 85.7 | Confident | 88.6 | Confident | 86 Ų | 86 | 50.9 Ų | 50.9 | 46% | 0.46 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -93.4 | -36.4 | 178.9 | -58.8 | -51.5 | 0 | 0 | 0 | 110.1 | D60 | D55-D60 PolarHBondContact N-OD2 3.36Š|
| 56 | D | 84.2 | Confident | 88.7 | Confident | 35 Ų | 35 | 50.6 Ų | 50.6 | 19% | 0.187 | 26% | 0.261 | C | S | . | . | trans | -131.6 | 107.2 | 166.5 | -168.9 | -26 | 0 | 0 | 0 | 112.1 | K36 Q58 F59 D60 | K36-D56 VanDerWaalsContact CE-CG 3.41Å; K36-D56 WeakPolarHBondContact CE-OD1 3.38Å; K36-D56 WeakPolarHBondContact CE-OD2 3.36Å; K36-D56 IonicContact NZ-OD1 3.23Å; K36-D56 PolarHBondContact NZ-OD1 3.2Å; K36-D56 IonicContact NZ-OD2 2.77Å; K36-D56 PolarHBondContact NZ-OD2 2.86Å; D56-Q58 PolarHBondContact O-N 3.44Å; D56-Q58 WeakPolarHBondContact OD1-CB 3.38Å; D56-Q58 PolarHBondContact OD1-N 3.13Å; D56-F59 HydrophobicContact CB-CD2 3.98Å; D56-F59 PolarHBondContact O-N 2.82Å; D56-F59 WeakPolarHBondContact OD2-CD2 3.43Å; D56-F59 WeakPolarHBondContact OD2-CE2 3.12Å; D56-D60 PolarHBondContact N-OD2 2.88Å; D56-D60 VanDerWaalsContact O-CB 3.3Å; D56-D60 WeakPolarHBondContact O-CB 3.29Å; D56-D60 PolarHBondContact O-N 3.03Å | ||
| 57 | L | 84.9 | Confident | 88.8 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.1 | -31.8 | 175.3 | -157.5 | 79.2 | 0 | 0 | 0 | 114.4 | F39 A43 V54 L61 I127 L128 I131 | F39-L57 HydrophobicContact CB-CD2 3.7Å; F39-L57 HydrophobicContact CD2-CD2 4.5Å; A43-L57 HydrophobicContact CB-CD1 4.13Å; V54-L57 HydrophobicContact CG1-CB 4.34Å; V54-L57 HydrophobicContact CG1-CD1 4.16Å; L57-L61 HydrophobicContact CD1-CD1 4.1Å; L57-L61 HydrophobicContact CG-CD1 4.12Å; L57-L61 WeakPolarHBondContact O-CD1 3.42Å; L57-L61 WeakPolarHBondContact O-CG 3.14Å; L57-I127 HydrophobicContact CG-CG2 4.35Å; L57-I127 WeakPolarHBondContact O-CG2 3.41Å; L57-L128 HydrophobicContact CD2-CD2 3.71Å; L57-I131 HydrophobicContact CD1-CD1 4.06Å; L57-I131 HydrophobicContact CD1-CG1 3.96Å; L57-I131 HydrophobicContact CD1-CG2 4.34Å; L57-I131 HydrophobicContact CD2-CB 4.16Å; L57-I131 HydrophobicContact CD2-CG1 3.96Å; L57-I131 HydrophobicContact CD2-CG2 4.24Å; L57-I131 HydrophobicContact CG-CG1 4.09Å |
| 58 | Q | 83.7 | Confident | 88.8 | Confident | 44 Ų | 44 | 48 Ų | 48 | 21% | 0.206 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -32.9 | -177.9 | -176.5 | 177.2 | -12.4 | 0 | 0 | 113.5 | D56 C122 I127 | D56-Q58 PolarHBondContact O-N 3.44Å; D56-Q58 WeakPolarHBondContact OD1-CB 3.38Å; D56-Q58 PolarHBondContact OD1-N 3.13Å; Q58-C122 HydrophobicContact CG-CB 4.22Å; Q58-C122 WeakPolarHBondContact CG-O 3.22Å; Q58-C122 PolarHBondContact NE2-O 3.41Å; Q58-C122 WeakPolarHBondContact O-CA 3.47Å; Q58-C122 WeakPolarHBondContact O-CB 3.33Å; Q58-I127 WeakPolarHBondContact O-CD1 3.32Å |
| 59 | F | 86.6 | Confident | 89.1 | Confident | 69 Ų | 69 | 42.5 Ų | 42.5 | 30% | 0.303 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -36.4 | -173.7 | -57.1 | -72.4 | 0 | 0 | 0 | 112.3 | D56 L61 A62 C122 | D56-F59 HydrophobicContact CB-CD2 3.98Å; D56-F59 PolarHBondContact O-N 2.82Å; D56-F59 WeakPolarHBondContact OD2-CD2 3.43Å; D56-F59 WeakPolarHBondContact OD2-CE2 3.12Å; F59-L61 PolarHBondContact O-N 2.79Å; F59-A62 WeakPolarHBondContact O-CB 3.49Å; F59-A62 PolarHBondContact O-N 2.62Å; F59-C122 HydrophobicContact CD1-CB 3.77Å; F59-C122 HydrophobicContact CE1-CB 3.93Å |
| 60 | D | 92.1 | Very high | 89.7 | Confident | 30 Ų | 30 | 37.2 Ų | 37.2 | 16% | 0.16 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -12.4 | -172.1 | -84.8 | -33.2 | 0 | 0 | 0 | 114.6 | V54 D55 D56 R66 | V54-D60 HydrophobicContact CB-CB 4.46Å; V54-D60 HydrophobicContact CG1-CB 4.03Å; V54-D60 HydrophobicContact CG2-CB 4.41Å; D55-D60 PolarHBondContact N-OD2 3.36Å; D56-D60 PolarHBondContact N-OD2 2.88Å; D56-D60 VanDerWaalsContact O-CB 3.3Å; D56-D60 WeakPolarHBondContact O-CB 3.29Å; D56-D60 PolarHBondContact O-N 3.03Å; D60-R66 VanDerWaalsContact CB-NH1 3.28Å; D60-R66 WeakPolarHBondContact O-CD 3.33Å; D60-R66 PolarHBondContact O-NH1 3.01Å; D60-R66 IonicContact OD1-CZ 2.65Å; D60-R66 IonicContact OD1-NH1 3.95Å; D60-R66 PolarHBondContact OD1-NH1 3.03Å; D60-R66 IonicContact OD1-NH2 2.72Å; D60-R66 PolarHBondContact OD1-NH2 3.06Å; D60-R66 IonicContact OD2-CZ 2.88Å; D60-R66 IonicContact OD2-NH2 2.65Å; D60-R66 PolarHBondContact OD2-NH2 2.82Å |
| 61 | L | 93.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -12.4 | 171.8 | -57.4 | -179.7 | 0 | 0 | 0 | 112.7 | V54 L57 F59 D63 G64 R66 L67 I119 I127 I131 | V54-L61 HydrophobicContact CG2-CD2 4.13Å; L57-L61 HydrophobicContact CD1-CD1 4.1Å; L57-L61 HydrophobicContact CG-CD1 4.12Å; L57-L61 WeakPolarHBondContact O-CD1 3.42Å; L57-L61 WeakPolarHBondContact O-CG 3.14Å; F59-L61 PolarHBondContact O-N 2.79Å; L61-D63 PolarHBondContact O-N 2.88Å; L61-D63 VanDerWaalsContact O-N 3.14Å; L61-G64 PolarHBondContact O-N 2.94Å; L61-R66 HydrophobicContact CD2-CB 4.13Å; L61-L67 HydrophobicContact CB-CB 4.47Å; L61-L67 HydrophobicContact CD1-CD1 4.5Å; L61-L67 HydrophobicContact CD2-CB 4.11Å; L61-I119 HydrophobicContact CB-CG2 4.22Å; L61-I119 WeakPolarHBondContact O-CG2 3.42Å; L61-I127 HydrophobicContact CD1-CG2 3.88Å; L61-I131 HydrophobicContact CD1-CD1 3.81Å; L61-I131 HydrophobicContact CD1-CG1 4.1Å |
| 62 | A | 91.9 | Very high | 90.5 | Very high | 5 Ų | 5 | 28 Ų | 28 | 4% | 0.041 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -9.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | F59 K92 I119 | F59-A62 WeakPolarHBondContact O-CB 3.49Å; F59-A62 PolarHBondContact O-N 2.62Å; A62-K92 WeakPolarHBondContact O-CD 3.37Å; A62-I119 WeakPolarHBondContact CA-O 3.34Å; A62-I119 WeakPolarHBondContact CB-O 3.47Å |
| 63 | D | 90.5 | Very high | 90.8 | Very high | 38 Ų | 38 | 27.7 Ų | 27.7 | 20% | 0.203 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -7.1 | 171.6 | 84.6 | -17.6 | 0 | 0 | 0 | 113.4 | L61 L65 P86 N95 | L61-D63 PolarHBondContact O-N 2.88Å; L61-D63 VanDerWaalsContact O-N 3.14Å; D63-L65 PolarHBondContact O-N 3.23Å; D63-L65 WeakPolarHBondContact OD1-CB 3.43Å; D63-L65 PolarHBondContact OD1-N 3.44Å; D63-L65 WeakPolarHBondContact OD2-CD1 3.47Å; D63-L65 WeakPolarHBondContact OD2-CG 3.46Å; D63-P86 HydrophobicContact CB-CG 3.95Å; D63-P86 VanDerWaalsContact O-CG 3.3Å; D63-P86 WeakPolarHBondContact O-CG 3.28Å; D63-N95 PolarHBondContact O-ND2 3.32Å; D63-N95 VanDerWaalsContact O-ND2 3.12Å |
| 64 | G | 92.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 73.1 | -16.3 | -175 | 0 | 0 | 0 | 0 | 0 | 115.4 | L61 R66 L67 I68 | L61-G64 PolarHBondContact O-N 2.94Å; G64-R66 PolarHBondContact O-N 3.04Å; G64-L67 PolarHBondContact O-N 2.93Å; G64-I68 WeakPolarHBondContact O-CB 3.48Å; G64-I68 WeakPolarHBondContact O-CD1 3.5Å; G64-I68 WeakPolarHBondContact O-CG1 3.5Å; G64-I68 PolarHBondContact O-N 3.36Å |
| 65 | L | 93.6 | Very high | 90.9 | Very high | 48 Ų | 48 | 26.2 Ų | 26.2 | 25% | 0.251 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -66.9 | -43.3 | -174.1 | -65 | -175.8 | 0 | 0 | 0 | 112.4 | D63 A69 V82 P86 | D63-L65 PolarHBondContact O-N 3.23Å; D63-L65 WeakPolarHBondContact OD1-CB 3.43Å; D63-L65 PolarHBondContact OD1-N 3.44Å; D63-L65 WeakPolarHBondContact OD2-CD1 3.47Å; D63-L65 WeakPolarHBondContact OD2-CG 3.46Å; L65-A69 WeakPolarHBondContact O-CB 3.4Å; L65-A69 PolarHBondContact O-N 3.28Å; L65-V82 HydrophobicContact CD2-CG1 3.73Å; L65-P86 HydrophobicContact CD1-CG 4.36Å; L65-P86 HydrophobicContact CG-CG 4.17Å |
| 66 | R | 94.2 | Very high | 90.9 | Very high | 59 Ų | 59 | 25.2 Ų | 25.2 | 22% | 0.223 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -73.9 | -31.8 | 176.3 | -61.4 | -166 | -176.1 | 103 | -34.3 | 112.6 | V52 T53 V54 D60 L61 G64 A69 L70 | V52-R66 HydrophobicContact CG1-CB 4.48Å; V52-R66 HydrophobicContact CG1-CG 3.9Å; T53-R66 WeakPolarHBondContact O-CD 3.3Å; T53-R66 PolarHBondContact O-NE 2.89Å; V54-R66 HydrophobicContact CG2-CB 4.05Å; D60-R66 VanDerWaalsContact CB-NH1 3.28Å; D60-R66 WeakPolarHBondContact O-CD 3.33Å; D60-R66 PolarHBondContact O-NH1 3.01Å; D60-R66 IonicContact OD1-CZ 2.65Å; D60-R66 IonicContact OD1-NH1 3.95Å; D60-R66 PolarHBondContact OD1-NH1 3.03Å; D60-R66 IonicContact OD1-NH2 2.72Å; D60-R66 PolarHBondContact OD1-NH2 3.06Å; D60-R66 IonicContact OD2-CZ 2.88Å; D60-R66 IonicContact OD2-NH2 2.65Å; D60-R66 PolarHBondContact OD2-NH2 2.82Å; L61-R66 HydrophobicContact CD2-CB 4.13Å; G64-R66 PolarHBondContact O-N 3.04Å; R66-A69 PolarHBondContact O-N 3.08Å; R66-L70 VanDerWaalsContact O-CB 3.32Å; R66-L70 WeakPolarHBondContact O-CB 3.49Å; R66-L70 PolarHBondContact O-N 3.41Å |
| 67 | L | 94.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.3 | -42.5 | 173.8 | -175.9 | 62.3 | 0 | 0 | 0 | 111.2 | L61 G64 L70 V71 V96 V99 I119 L130 | L61-L67 HydrophobicContact CB-CB 4.47Å; L61-L67 HydrophobicContact CD1-CD1 4.5Å; L61-L67 HydrophobicContact CD2-CB 4.11Å; G64-L67 PolarHBondContact O-N 2.93Å; L67-L70 PolarHBondContact O-N 2.8Å; L67-V71 WeakPolarHBondContact O-CG2 3.38Å; L67-V71 PolarHBondContact O-N 2.99Å; L67-V96 HydrophobicContact CD2-CG1 4.25Å; L67-V99 HydrophobicContact CD2-CB 4.33Å; L67-V99 HydrophobicContact CD2-CG1 4.29Å; L67-V99 HydrophobicContact CG-CB 4.41Å; L67-V99 HydrophobicContact CG-CG1 4.04Å; L67-V99 HydrophobicContact CG-CG2 4.44Å; L67-I119 HydrophobicContact CD2-CD1 4.12Å; L67-I119 HydrophobicContact CD2-CG2 4.48Å; L67-L130 HydrophobicContact CD1-CD2 4.19Å; L67-L130 HydrophobicContact CD2-CD2 4.37Å |
| 68 | I | 94.2 | Very high | 90.9 | Very high | 6 Ų | 6 | 35.3 Ų | 35.3 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.3 | -54.8 | 170 | -72.1 | 163.9 | 0 | 0 | 0 | 109.8 | G64 L70 V71 E72 F79 V82 N95 V99 | G64-I68 WeakPolarHBondContact O-CB 3.48Å; G64-I68 WeakPolarHBondContact O-CD1 3.5Å; G64-I68 WeakPolarHBondContact O-CG1 3.5Å; G64-I68 PolarHBondContact O-N 3.36Å; I68-L70 PolarHBondContact O-N 3.12Å; I68-V71 PolarHBondContact O-N 3.02Å; I68-V71 VanDerWaalsContact O-N 3.16Å; I68-E72 HydrophobicContact CG2-CG 4.19Å; I68-E72 WeakPolarHBondContact O-CB 3.33Å; I68-E72 VanDerWaalsContact O-CG 3.32Å; I68-E72 WeakPolarHBondContact O-CG 3.25Å; I68-E72 PolarHBondContact O-N 3.17Å; I68-F79 HydrophobicContact CG2-CB 4.36Å; I68-F79 HydrophobicContact CG2-CD2 3.81Å; I68-F79 HydrophobicContact CG2-CE2 4.44Å; I68-F79 HydrophobicContact CG2-CG 4.29Å; I68-V82 HydrophobicContact CD1-CB 4.38Å; I68-V82 HydrophobicContact CD1-CG1 3.68Å; I68-V82 HydrophobicContact CD1-CG2 4.04Å; I68-V82 HydrophobicContact CG2-CG2 3.93Å; I68-N95 HydrophobicContact CD1-CB 3.97Å; I68-V99 HydrophobicContact CB-CG2 4.21Å; I68-V99 HydrophobicContact CD1-CG2 4.31Å; I68-V99 HydrophobicContact CG1-CG2 3.24Å |
| 69 | A | 93.7 | Very high | 91 | Very high | 12 Ų | 12 | 34.4 Ų | 34.4 | 10% | 0.099 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.1 | -35.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L47 K50 V52 L65 R66 S73 | L47-A69 VanDerWaalsContact CD2-C 3.49Å; L47-A69 HydrophobicContact CD2-CB 3.63Å; K50-A69 HydrophobicContact CD-CB 4.27Å; K50-A69 WeakPolarHBondContact CE-O 3.46Å; V52-A69 HydrophobicContact CG2-CB 4.5Å; L65-A69 WeakPolarHBondContact O-CB 3.4Å; L65-A69 PolarHBondContact O-N 3.28Å; R66-A69 PolarHBondContact O-N 3.08Å; A69-S73 PolarHBondContact O-N 3.01Å |
| 70 | L | 94.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.1 | -52.4 | 176 | 177.3 | 61.3 | 0 | 0 | 0 | 111 | W42 A43 H46 L47 R66 L67 I68 E72 S73 L74 I131 L134 | W42-L70 HydrophobicContact CZ3-CD1 4.29Å; W42-L70 HydrophobicContact CZ3-CD2 4.36Å; A43-L70 HydrophobicContact CB-CD1 4.28Å; A43-L70 HydrophobicContact CB-CD2 4.06Å; H46-L70 HydrophobicContact CB-CD1 3.75Å; L47-L70 HydrophobicContact CD2-CB 3.95Å; L47-L70 VanDerWaalsContact CD2-N 3.34Å; L47-L70 HydrophobicContact CG-CB 4.26Å; L47-L70 HydrophobicContact CG-CD1 4.26Å; R66-L70 VanDerWaalsContact O-CB 3.32Å; R66-L70 WeakPolarHBondContact O-CB 3.49Å; R66-L70 PolarHBondContact O-N 3.41Å; L67-L70 PolarHBondContact O-N 2.8Å; I68-L70 PolarHBondContact O-N 3.12Å; L70-E72 VanDerWaalsContact C-N 3.34Å; L70-E72 PolarHBondContact O-N 3.37Å; L70-S73 WeakPolarHBondContact O-CA 3.22Å; L70-S73 VanDerWaalsContact O-CB 3.32Å; L70-S73 WeakPolarHBondContact O-CB 3.46Å; L70-S73 PolarHBondContact O-N 3.11Å; L70-L74 HydrophobicContact CD1-CD1 3.98Å; L70-L74 HydrophobicContact CD1-CG 4.26Å; L70-L74 HydrophobicContact CG-CD1 3.86Å; L70-L74 WeakPolarHBondContact O-CG 3.37Å; L70-L74 PolarHBondContact O-N 2.7Å; L70-I131 HydrophobicContact CD2-CD1 3.74Å; L70-L134 HydrophobicContact CD2-CD1 4.49Å |
| 71 | V | 93.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.6 | -33.4 | -178.8 | 171.7 | 0 | 0 | 0 | 0 | 112.5 | L67 I68 S73 L74 S75 F79 V99 F102 L103 L134 | L67-V71 WeakPolarHBondContact O-CG2 3.38Å; L67-V71 PolarHBondContact O-N 2.99Å; I68-V71 PolarHBondContact O-N 3.02Å; I68-V71 VanDerWaalsContact O-N 3.16Å; V71-S73 VanDerWaalsContact C-N 3.26Å; V71-S73 PolarHBondContact O-N 3.04Å; V71-L74 PolarHBondContact O-N 3.16Å; V71-S75 WeakPolarHBondContact O-CB 3.37Å; V71-S75 PolarHBondContact O-N 3.26Å; V71-S75 PolarHBondContact O-OG 3.17Å; V71-F79 HydrophobicContact CB-CE2 4.43Å; V71-F79 HydrophobicContact CG1-CE2 4.08Å; V71-F79 HydrophobicContact CG1-CZ 4.09Å; V71-V99 HydrophobicContact CB-CG1 4.02Å; V71-V99 HydrophobicContact CG1-CG1 4.19Å; V71-V99 HydrophobicContact CG2-CG1 3.63Å; V71-F102 HydrophobicContact CG1-CD1 3.69Å; V71-F102 HydrophobicContact CG1-CE1 3.7Å; V71-L103 HydrophobicContact CG1-CD2 3.68Å; V71-L103 HydrophobicContact CG1-CG 4.4Å; V71-L103 HydrophobicContact CG2-CD1 4.32Å; V71-L103 HydrophobicContact CG2-CD2 3.96Å; V71-L103 HydrophobicContact CG2-CG 4.49Å; V71-L134 HydrophobicContact CG2-CD1 4.21Å; V71-L134 HydrophobicContact CG2-CD2 4.48Å |
| 72 | E | 92.8 | Very high | 89.4 | Confident | 30 Ų | 30 | 47.7 Ų | 47.7 | 14% | 0.14 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.8 | -27.5 | 169.7 | -69.2 | -170.5 | 148.3 | 0 | 0 | 113.3 | K50 I68 L70 G76 Q77 Q78 F79 | K50-E72 IonicContact NZ-OE2 2.8Å; K50-E72 PolarHBondContact NZ-OE2 3.38Å; I68-E72 HydrophobicContact CG2-CG 4.19Å; I68-E72 WeakPolarHBondContact O-CB 3.33Å; I68-E72 VanDerWaalsContact O-CG 3.32Å; I68-E72 WeakPolarHBondContact O-CG 3.25Å; I68-E72 PolarHBondContact O-N 3.17Å; L70-E72 VanDerWaalsContact C-N 3.34Å; L70-E72 PolarHBondContact O-N 3.37Å; E72-G76 WeakPolarHBondContact O-CA 3.42Å; E72-G76 PolarHBondContact O-N 3.24Å; E72-Q77 VanDerWaalsContact CA-O 3.31Å; E72-Q77 WeakPolarHBondContact CA-O 3.28Å; E72-Q77 VanDerWaalsContact CB-O 3.29Å; E72-Q77 WeakPolarHBondContact CB-O 3.26Å; E72-Q77 WeakPolarHBondContact CG-O 3.37Å; E72-Q78 VanDerWaalsContact OE1-CA 3.29Å; E72-Q78 WeakPolarHBondContact OE1-CA 3.44Å; E72-F79 HydrophobicContact CG-CD2 3.5Å; E72-F79 HydrophobicContact CG-CE2 3.92Å; E72-F79 PolarHBondContact OE1-N 3.17Å |
| 73 | S | 91.3 | Very high | 89.1 | Confident | 38 Ų | 38 | 49 Ų | 49 | 27% | 0.266 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -77.9 | -39.4 | 175.8 | -137.8 | 0 | 0 | 0 | 0 | 111.1 | H46 A69 L70 V71 | H46-S73 VanDerWaalsContact O-CB 3.24Å; H46-S73 WeakPolarHBondContact O-CB 3.41Å; H46-S73 PolarHBondContact O-OG 3.49Å; A69-S73 PolarHBondContact O-N 3.01Å; L70-S73 WeakPolarHBondContact O-CA 3.22Å; L70-S73 VanDerWaalsContact O-CB 3.32Å; L70-S73 WeakPolarHBondContact O-CB 3.46Å; L70-S73 PolarHBondContact O-N 3.11Å; V71-S73 VanDerWaalsContact C-N 3.26Å; V71-S73 PolarHBondContact O-N 3.04Å |
| 74 | L | 91.6 | Very high | 89 | Confident | 22 Ų | 22 | 57.2 Ų | 57.2 | 12% | 0.115 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.5 | -47.3 | -179.5 | -66.6 | 167.8 | 0 | 0 | 0 | 112.8 | W42 H46 L70 V71 L134 Y138 | W42-L74 HydrophobicContact CH2-CD1 3.65Å; W42-L74 HydrophobicContact CH2-CD2 3.66Å; W42-L74 HydrophobicContact CH2-CG 4.31Å; W42-L74 HydrophobicContact CZ2-CD2 3.76Å; W42-L74 HydrophobicContact CZ3-CD1 4.27Å; H46-L74 HydrophobicContact CB-CD2 4.3Å; L70-L74 HydrophobicContact CD1-CD1 3.98Å; L70-L74 HydrophobicContact CD1-CG 4.26Å; L70-L74 HydrophobicContact CG-CD1 3.86Å; L70-L74 WeakPolarHBondContact O-CG 3.37Å; L70-L74 PolarHBondContact O-N 2.7Å; V71-L74 PolarHBondContact O-N 3.16Å; L74-L134 HydrophobicContact CD1-CB 4.3Å; L74-L134 HydrophobicContact CD1-CD1 4.3Å; L74-Y138 VanDerWaalsContact C-CE1 3.42Å; L74-Y138 HydrophobicContact CB-CD1 3.8Å; L74-Y138 HydrophobicContact CB-CD2 3.93Å; L74-Y138 HydrophobicContact CB-CE1 3.79Å; L74-Y138 HydrophobicContact CB-CE2 3.94Å; L74-Y138 HydrophobicContact CB-CG 3.86Å; L74-Y138 HydrophobicContact CD1-CD2 4.04Å; L74-Y138 HydrophobicContact CD1-CE2 4.29Å; L74-Y138 HydrophobicContact CD2-CD2 4.39Å; L74-Y138 HydrophobicContact CD2-CG 4.08Å; L74-Y138 HydrophobicContact CG-CD2 4.35Å; L74-Y138 HydrophobicContact CG-CG 4.38Å; L74-Y138 WeakPolarHBondContact O-CD1 3.46Å; L74-Y138 VanDerWaalsContact O-CE1 3.25Å; L74-Y138 WeakPolarHBondContact O-CE1 3.3Å |
| 75 | S | 89.7 | Confident | 88.7 | Confident | 26 Ų | 26 | 65.9 Ų | 65.9 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -82.6 | -22.1 | 179.9 | 63.8 | 0 | 0 | 0 | 0 | 113.9 | V71 Q77 E107 | V71-S75 WeakPolarHBondContact O-CB 3.37Å; V71-S75 PolarHBondContact O-N 3.26Å; V71-S75 PolarHBondContact O-OG 3.17Å; S75-Q77 PolarHBondContact O-N 3.4Å; S75-Q77 PolarHBondContact OG-N 2.96Å; S75-Q77 VanDerWaalsContact OG-N 3.17Å; S75-E107 WeakPolarHBondContact CB-OE1 3.41Å |
| 76 | G | 85.4 | Confident | 88.2 | Confident | 65 Ų | 65 | 64 Ų | 64 | 67% | 0.67 | 31% | 0.313 | S | S | * | . | trans | 69.5 | 1.2 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | E72 | E72-G76 WeakPolarHBondContact O-CA 3.42Å; E72-G76 PolarHBondContact O-N 3.24Å | ||
| 77 | Q | 85.5 | Confident | 87.3 | Confident | 93 Ų | 93 | 65.1 Ų | 65.1 | 44% | 0.435 | 33% | 0.329 | S | S | . | . | trans | -86.1 | 167.3 | 174.9 | -53.9 | -158 | 58.7 | 0 | 0 | 111 | E72 S75 F102 E107 | E72-Q77 VanDerWaalsContact CA-O 3.31Å; E72-Q77 WeakPolarHBondContact CA-O 3.28Å; E72-Q77 VanDerWaalsContact CB-O 3.29Å; E72-Q77 WeakPolarHBondContact CB-O 3.26Å; E72-Q77 WeakPolarHBondContact CG-O 3.37Å; S75-Q77 PolarHBondContact O-N 3.4Å; S75-Q77 PolarHBondContact OG-N 2.96Å; S75-Q77 VanDerWaalsContact OG-N 3.17Å; Q77-F102 HydrophobicContact CB-CE2 4.03Å; Q77-F102 HydrophobicContact CB-CZ 3.76Å; Q77-F102 HydrophobicContact CG-CE2 4.31Å; Q77-F102 HydrophobicContact CG-CZ 3.94Å; Q77-E107 PolarHBondContact NE2-OE1 3.17Å | ||
| 78 | Q | 83.8 | Confident | 86.3 | Confident | 155 Ų | 155 | 70.7 Ų | 70.7 | 72% | 0.724 | 35% | 0.353 | S | S | * | . | trans | -129.5 | 136.7 | 176.9 | -71.6 | -170.2 | 7.2 | 0 | 0 | 112.6 | E72 | E72-Q78 VanDerWaalsContact OE1-CA 3.29Å; E72-Q78 WeakPolarHBondContact OE1-CA 3.44Å | ||
| 79 | F | 85.2 | Confident | 86 | Confident | 26 Ų | 26 | 76.3 Ų | 76.3 | 11% | 0.114 | 37% | 0.374 | C | S | . | . | trans | -82.4 | 124.2 | -178.6 | -70.2 | -96.2 | 0 | 0 | 0 | 110.9 | I68 V71 E72 V82 M98 V99 F102 | I68-F79 HydrophobicContact CG2-CB 4.36Å; I68-F79 HydrophobicContact CG2-CD2 3.81Å; I68-F79 HydrophobicContact CG2-CE2 4.44Å; I68-F79 HydrophobicContact CG2-CG 4.29Å; V71-F79 HydrophobicContact CB-CE2 4.43Å; V71-F79 HydrophobicContact CG1-CE2 4.08Å; V71-F79 HydrophobicContact CG1-CZ 4.09Å; E72-F79 HydrophobicContact CG-CD2 3.5Å; E72-F79 HydrophobicContact CG-CE2 3.92Å; E72-F79 PolarHBondContact OE1-N 3.17Å; F79-V82 HydrophobicContact CB-CG2 3.49Å; F79-V82 VanDerWaalsContact CB-CG2 3.49Å; F79-M98 HydrophobicContact CB-SD 4.46Å; F79-M98 HydrophobicContact CD1-CG 3.79Å; F79-M98 HydrophobicContact CD1-SD 3.92Å; F79-M98 HydrophobicContact CE1-CG 4.13Å; F79-V99 HydrophobicContact CE1-CG2 4.3Å; F79-V99 HydrophobicContact CZ-CB 4.44Å; F79-V99 HydrophobicContact CZ-CG1 4.46Å; F79-V99 HydrophobicContact CZ-CG2 4.03Å; F79-F102 HydrophobicContact CE1-CB 3.48Å; F79-F102 VanDerWaalsContact CE1-CB 3.48Å; F79-F102 HydrophobicContact CE1-CD1 4.28Å; F79-F102 HydrophobicContact CE1-CD2 4.13Å; F79-F102 AromaticContact CE1-CG 3.7Å; F79-F102 HydrophobicContact CE1-CG 3.7Å; F79-F102 HydrophobicContact CE2-CD1 4.4Å; F79-F102 HydrophobicContact CZ-CB 3.66Å; F79-F102 AromaticContact CZ-CD1 3.61Å; F79-F102 HydrophobicContact CZ-CD1 3.61Å; F79-F102 HydrophobicContact CZ-CD2 4.13Å; F79-F102 HydrophobicContact CZ-CE1 4.3Å; F79-F102 AromaticContact CZ-CG 3.51Å; F79-F102 HydrophobicContact CZ-CG 3.51Å | ||
| 80 | K | 74 | Confident | 85.5 | Confident | 194 Ų | 194 | 80 Ų | 80 | 84% | 0.843 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -23.2 | -173.4 | -68.8 | 177.2 | -179 | 170.2 | 0 | 114.8 | ||
| 81 | H | 79.2 | Confident | 85.1 | Confident | 151 Ų | 151 | 82 Ų | 82 | 70% | 0.699 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.3 | 37.9 | -167.8 | -69.7 | 84.1 | 0 | 0 | 0 | 113.1 | N83 M98 | H81-N83 PolarHBondContact O-N 2.81Å; H81-M98 HydrophobicContact CB-CE 3.93Å; H81-M98 HydrophobicContact CB-SD 4.4Å; H81-M98 VanDerWaalsContact O-CE 3.3Å; H81-M98 WeakPolarHBondContact O-CE 3.41Å |
| 82 | V | 85 | Confident | 85.2 | Confident | 33 Ų | 33 | 85 Ų | 85 | 20% | 0.2 | 42% | 0.418 | C | S | . | . | trans | -68.8 | 126.3 | -179 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | L65 I68 F79 R84 | L65-V82 HydrophobicContact CD2-CG1 3.73Å; I68-V82 HydrophobicContact CD1-CB 4.38Å; I68-V82 HydrophobicContact CD1-CG1 3.68Å; I68-V82 HydrophobicContact CD1-CG2 4.04Å; I68-V82 HydrophobicContact CG2-CG2 3.93Å; F79-V82 HydrophobicContact CB-CG2 3.49Å; F79-V82 VanDerWaalsContact CB-CG2 3.49Å; V82-R84 HydrophobicContact CG1-CG 4.34Å; V82-R84 PolarHBondContact O-N 3.27Å | ||
| 83 | N | 85.6 | Confident | 85.1 | Confident | 33 Ų | 33 | 85.1 Ų | 85.1 | 18% | 0.176 | 42% | 0.42 | C | S | . | . | trans | -78.5 | 89.3 | 174.6 | -159.6 | -31.1 | 0 | 0 | 0 | 109.8 | H81 K85 P86 E94 N95 | H81-N83 PolarHBondContact O-N 2.81Å; N83-K85 PolarHBondContact O-N 3.23Å; N83-K85 VanDerWaalsContact O-N 3.08Å; N83-P86 WeakPolarHBondContact O-CD 3.46Å; N83-E94 PolarHBondContact ND2-OE2 2.63Å; N83-N95 WeakPolarHBondContact CA-OD1 3.16Å; N83-N95 VanDerWaalsContact CB-OD1 3.28Å; N83-N95 WeakPolarHBondContact CB-OD1 3.42Å; N83-N95 PolarHBondContact N-OD1 3.05Å; N83-N95 PolarHBondContact O-ND2 3.02Å | ||
| 84 | R | 88.7 | Confident | 85 | Confident | 211 Ų | 211 | 88.6 Ų | 88.6 | 80% | 0.796 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -68.2 | -6 | -164.5 | -65.1 | -172.1 | 178.3 | -164.1 | -3.5 | 116.6 | V82 | V82-R84 HydrophobicContact CG1-CG 4.34Å; V82-R84 PolarHBondContact O-N 3.27Å |
| 85 | K | 86 | Confident | 85.1 | Confident | 181 Ų | 181 | 87.6 Ų | 87.6 | 79% | 0.787 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -143.6 | 71.6 | 174.5 | -72.6 | -163 | 173.1 | -166.7 | 0 | 110.5 | N83 S87 | N83-K85 PolarHBondContact O-N 3.23Å; N83-K85 VanDerWaalsContact O-N 3.08Å; K85-S87 VanDerWaalsContact C-N 3.35Å; K85-S87 PolarHBondContact O-N 2.93Å |
| 86 | P | 82.5 | Confident | 85.4 | Confident | 10 Ų | 10 | 86.4 Ų | 86.4 | 7% | 0.065 | 42% | 0.418 | C | S | . | . | trans | -81 | 79 | -171.7 | 35.7 | -36 | 0 | 0 | 0 | 110.6 | D63 L65 N83 Q91 K92 N95 | D63-P86 HydrophobicContact CB-CG 3.95Å; D63-P86 VanDerWaalsContact O-CG 3.3Å; D63-P86 WeakPolarHBondContact O-CG 3.28Å; L65-P86 HydrophobicContact CD1-CG 4.36Å; L65-P86 HydrophobicContact CG-CG 4.17Å; N83-P86 WeakPolarHBondContact O-CD 3.46Å; P86-Q91 HydrophobicContact CB-CB 3.73Å; P86-K92 HydrophobicContact CB-CG 3.93Å; P86-K92 HydrophobicContact CG-CG 4.35Å; P86-K92 WeakPolarHBondContact O-CE 3.35Å; P86-K92 VanDerWaalsContact O-CG 3.31Å; P86-K92 WeakPolarHBondContact O-CG 3.38Å; P86-N95 WeakPolarHBondContact CG-ND2 3.35Å | ||
| 87 | S | 76.5 | Confident | 85.7 | Confident | 81 Ų | 81 | 85.7 Ų | 85.7 | 57% | 0.566 | 40% | 0.401 | S | S | * | . | trans | -75.7 | -32.1 | -178.8 | 54.6 | 0 | 0 | 0 | 0 | 113 | K85 Q91 | K85-S87 VanDerWaalsContact C-N 3.35Å; K85-S87 PolarHBondContact O-N 2.93Å; S87-Q91 PolarHBondContact OG-OE1 3.22Å | ||
| 88 | F | 73.6 | Confident | 86.1 | Confident | 117 Ų | 117 | 84.2 Ų | 84.2 | 51% | 0.513 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -94.1 | 146.7 | -179.9 | -65.4 | -81 | 0 | 0 | 0 | 111.6 | T90 Q91 K92 | F88-T90 PolarHBondContact O-N 3.15Å; F88-T90 VanDerWaalsContact O-N 3.12Å; F88-Q91 HydrophobicContact CB-CG 4.31Å; F88-Q91 VanDerWaalsContact N-OE1 3.08Å; F88-Q91 WeakPolarHBondContact O-CB 3.17Å; F88-Q91 PolarHBondContact O-N 3.26Å; F88-K92 PolarHBondContact O-N 2.85Å; F88-K92 VanDerWaalsContact O-N 3.15Å |
| 89 | R | 88 | Confident | 86.6 | Confident | 125 Ų | 125 | 76.8 Ų | 76.8 | 47% | 0.472 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -52.2 | -38 | 179.3 | -170.9 | 171.9 | 174.3 | -94.4 | 3 | 112 | Q91 K92 L93 V120 D121 | R89-Q91 PolarHBondContact O-N 3.07Å; R89-K92 WeakPolarHBondContact O-CB 3.45Å; R89-K92 PolarHBondContact O-N 3.27Å; R89-L93 HydrophobicContact CG-CD1 4.2Å; R89-L93 HydrophobicContact CG-CG 4.49Å; R89-L93 WeakPolarHBondContact O-CB 3.3Å; R89-L93 VanDerWaalsContact O-CG 3.22Å; R89-L93 WeakPolarHBondContact O-CG 3.47Å; R89-L93 PolarHBondContact O-N 3.44Å; R89-V120 HydrophobicContact CG-CG1 3.75Å; R89-D121 IonicContact CZ-OD1 2.6Å; R89-D121 IonicContact CZ-OD2 3.84Å; R89-D121 IonicContact NE-OD1 3.04Å; R89-D121 PolarHBondContact NE-OD1 3.41Å; R89-D121 IonicContact NE-OD2 3.6Å; R89-D121 VanDerWaalsContact NH2-CG 3.28Å; R89-D121 IonicContact NH2-OD1 2.84Å; R89-D121 PolarHBondContact NH2-OD1 2.92Å; R89-D121 VanDerWaalsContact NH2-OD1 3.09Å; R89-D121 IonicContact NH2-OD2 3.91Å; R89-D121 PolarHBondContact NH2-OD2 2.95Å |
| 90 | T | 82.3 | Confident | 86.9 | Confident | 89 Ų | 89 | 76 Ų | 76 | 55% | 0.546 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 174.8 | -4.9 | 0 | 0 | 0 | 0 | 113.6 | F88 K92 L93 E94 | F88-T90 PolarHBondContact O-N 3.15Å; F88-T90 VanDerWaalsContact O-N 3.12Å; T90-K92 VanDerWaalsContact C-N 3.35Å; T90-L93 WeakPolarHBondContact O-CB 3.3Å; T90-L93 PolarHBondContact O-N 2.8Å; T90-E94 WeakPolarHBondContact O-CG 3.31Å; T90-E94 PolarHBondContact O-N 2.63Å |
| 91 | Q | 87.1 | Confident | 87.6 | Confident | 42 Ų | 42 | 73.7 Ų | 73.7 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.9 | -33.3 | 178.8 | -61.2 | 174 | -47.9 | 0 | 0 | 112 | P86 S87 F88 R89 E94 N95 | P86-Q91 HydrophobicContact CB-CB 3.73Å; S87-Q91 PolarHBondContact OG-OE1 3.22Å; F88-Q91 HydrophobicContact CB-CG 4.31Å; F88-Q91 VanDerWaalsContact N-OE1 3.08Å; F88-Q91 WeakPolarHBondContact O-CB 3.17Å; F88-Q91 PolarHBondContact O-N 3.26Å; R89-Q91 PolarHBondContact O-N 3.07Å; Q91-E94 PolarHBondContact O-N 3.39Å; Q91-N95 PolarHBondContact O-N 3.45Å; Q91-N95 VanDerWaalsContact O-N 3.1Å |
| 92 | K | 94.6 | Very high | 88.3 | Confident | 63 Ų | 63 | 67.3 Ų | 67.3 | 27% | 0.274 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.6 | -45.7 | 171.7 | -60.6 | -178.9 | 164.5 | -163.9 | 0 | 110.4 | A62 P86 F88 R89 T90 E94 N95 V96 V120 | A62-K92 WeakPolarHBondContact O-CD 3.37Å; P86-K92 HydrophobicContact CB-CG 3.93Å; P86-K92 HydrophobicContact CG-CG 4.35Å; P86-K92 WeakPolarHBondContact O-CE 3.35Å; P86-K92 VanDerWaalsContact O-CG 3.31Å; P86-K92 WeakPolarHBondContact O-CG 3.38Å; F88-K92 PolarHBondContact O-N 2.85Å; F88-K92 VanDerWaalsContact O-N 3.15Å; R89-K92 WeakPolarHBondContact O-CB 3.45Å; R89-K92 PolarHBondContact O-N 3.27Å; T90-K92 VanDerWaalsContact C-N 3.35Å; K92-E94 PolarHBondContact O-N 3.12Å; K92-N95 PolarHBondContact O-N 3.03Å; K92-V96 WeakPolarHBondContact O-CG2 3.43Å; K92-V96 PolarHBondContact O-N 3.04Å; K92-V120 HydrophobicContact CB-CG1 3.85Å; K92-V120 HydrophobicContact CB-CG2 3.75Å; K92-V120 HydrophobicContact CD-CG1 4.12Å |
| 93 | L | 90.6 | Very high | 88.5 | Confident | 33 Ų | 33 | 65.8 Ų | 65.8 | 17% | 0.173 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.9 | -42.4 | 174.1 | -70.5 | 166 | 0 | 0 | 0 | 111.8 | R89 T90 V96 T97 S116 V120 | R89-L93 HydrophobicContact CG-CD1 4.2Å; R89-L93 HydrophobicContact CG-CG 4.49Å; R89-L93 WeakPolarHBondContact O-CB 3.3Å; R89-L93 VanDerWaalsContact O-CG 3.22Å; R89-L93 WeakPolarHBondContact O-CG 3.47Å; R89-L93 PolarHBondContact O-N 3.44Å; T90-L93 WeakPolarHBondContact O-CB 3.3Å; T90-L93 PolarHBondContact O-N 2.8Å; L93-V96 PolarHBondContact O-N 3.47Å; L93-T97 WeakPolarHBondContact O-CB 3.47Å; L93-T97 PolarHBondContact O-N 2.98Å; L93-T97 PolarHBondContact O-OG1 3.09Å; L93-S116 VanDerWaalsContact CD2-C 3.49Å; L93-S116 WeakPolarHBondContact CD2-OG 3.43Å; L93-V120 HydrophobicContact CD2-CB 4.23Å; L93-V120 HydrophobicContact CD2-CG2 4.04Å; L93-V120 HydrophobicContact CG-CG2 4.27Å |
| 94 | E | 90 | Very high | 88.6 | Confident | 111 Ų | 111 | 64.8 Ų | 64.8 | 52% | 0.519 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.1 | -53 | 174 | -75.5 | 179 | 144.7 | 0 | 0 | 112.5 | N83 T90 Q91 K92 V96 T97 M98 | N83-E94 PolarHBondContact ND2-OE2 2.63Å; T90-E94 WeakPolarHBondContact O-CG 3.31Å; T90-E94 PolarHBondContact O-N 2.63Å; Q91-E94 PolarHBondContact O-N 3.39Å; K92-E94 PolarHBondContact O-N 3.12Å; E94-V96 VanDerWaalsContact C-N 3.3Å; E94-V96 PolarHBondContact O-N 2.83Å; E94-T97 PolarHBondContact O-N 2.98Å; E94-M98 WeakPolarHBondContact O-CB 3.35Å; E94-M98 PolarHBondContact O-N 3.38Å |
| 95 | N | 94.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -55.9 | -45.9 | 178.5 | -85.4 | -15.7 | 0 | 0 | 0 | 111.7 | D63 I68 N83 P86 Q91 K92 V99 | D63-N95 PolarHBondContact O-ND2 3.32Å; D63-N95 VanDerWaalsContact O-ND2 3.12Å; I68-N95 HydrophobicContact CD1-CB 3.97Å; N83-N95 WeakPolarHBondContact CA-OD1 3.16Å; N83-N95 VanDerWaalsContact CB-OD1 3.28Å; N83-N95 WeakPolarHBondContact CB-OD1 3.42Å; N83-N95 PolarHBondContact N-OD1 3.05Å; N83-N95 PolarHBondContact O-ND2 3.02Å; P86-N95 WeakPolarHBondContact CG-ND2 3.35Å; Q91-N95 PolarHBondContact O-N 3.45Å; Q91-N95 VanDerWaalsContact O-N 3.1Å; K92-N95 PolarHBondContact O-N 3.03Å; N95-V99 PolarHBondContact O-N 3.39Å |
| 96 | V | 95 | Very high | 88.4 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.1 | -45 | -179.1 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | L67 K92 L93 E94 M98 V99 L100 I119 V120 | L67-V96 HydrophobicContact CD2-CG1 4.25Å; K92-V96 WeakPolarHBondContact O-CG2 3.43Å; K92-V96 PolarHBondContact O-N 3.04Å; L93-V96 PolarHBondContact O-N 3.47Å; E94-V96 VanDerWaalsContact C-N 3.3Å; E94-V96 PolarHBondContact O-N 2.83Å; V96-M98 PolarHBondContact O-N 3.27Å; V96-V99 PolarHBondContact O-N 2.94Å; V96-L100 HydrophobicContact CG1-CD1 3.95Å; V96-L100 HydrophobicContact CG1-CG 4.17Å; V96-L100 WeakPolarHBondContact O-CG 3.44Å; V96-L100 PolarHBondContact O-N 2.74Å; V96-I119 HydrophobicContact CG1-CB 3.97Å; V96-I119 HydrophobicContact CG1-CD1 3.42Å; V96-I119 VanDerWaalsContact CG1-CD1 3.42Å; V96-I119 HydrophobicContact CG1-CG1 4.27Å; V96-I119 HydrophobicContact CG1-CG2 4.18Å; V96-I119 HydrophobicContact CG2-CG2 4.05Å; V96-V120 HydrophobicContact CB-CG2 4.47Å; V96-V120 HydrophobicContact CG2-CG2 3.97Å |
| 97 | T | 92.7 | Very high | 88.5 | Confident | 51 Ų | 51 | 58 Ų | 58 | 31% | 0.313 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.7 | -39.2 | 176.7 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | L93 E94 V99 L100 R101 S116 | L93-T97 WeakPolarHBondContact O-CB 3.47Å; L93-T97 PolarHBondContact O-N 2.98Å; L93-T97 PolarHBondContact O-OG1 3.09Å; E94-T97 PolarHBondContact O-N 2.98Å; T97-V99 VanDerWaalsContact C-N 3.32Å; T97-V99 PolarHBondContact O-N 3.39Å; T97-L100 PolarHBondContact O-N 2.87Å; T97-R101 WeakPolarHBondContact O-CB 3.48Å; T97-R101 PolarHBondContact O-N 3.43Å; T97-S116 VanDerWaalsContact OG1-CB 3.32Å; T97-S116 WeakPolarHBondContact OG1-CB 3.28Å; T97-S116 PolarHBondContact OG1-OG 2.88Å |
| 98 | M | 92.9 | Very high | 88.7 | Confident | 61 Ų | 61 | 56.3 Ų | 56.3 | 30% | 0.3 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.1 | -38.7 | 176.7 | -168.5 | 177.7 | -56.5 | 0 | 0 | 112.2 | F79 H81 E94 V96 F102 | F79-M98 HydrophobicContact CB-SD 4.46Å; F79-M98 HydrophobicContact CD1-CG 3.79Å; F79-M98 HydrophobicContact CD1-SD 3.92Å; F79-M98 HydrophobicContact CE1-CG 4.13Å; H81-M98 HydrophobicContact CB-CE 3.93Å; H81-M98 HydrophobicContact CB-SD 4.4Å; H81-M98 VanDerWaalsContact O-CE 3.3Å; H81-M98 WeakPolarHBondContact O-CE 3.41Å; E94-M98 WeakPolarHBondContact O-CB 3.35Å; E94-M98 PolarHBondContact O-N 3.38Å; V96-M98 PolarHBondContact O-N 3.27Å; M98-F102 WeakPolarHBondContact O-CB 3.48Å; M98-F102 PolarHBondContact O-N 3.22Å; M98-F102 VanDerWaalsContact O-N 3.15Å |
| 99 | V | 93.5 | Very high | 89 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72 | -45.9 | 175.3 | -178.8 | 0 | 0 | 0 | 0 | 111.6 | L67 I68 V71 F79 N95 V96 T97 R101 F102 L103 | L67-V99 HydrophobicContact CD2-CB 4.33Å; L67-V99 HydrophobicContact CD2-CG1 4.29Å; L67-V99 HydrophobicContact CG-CB 4.41Å; L67-V99 HydrophobicContact CG-CG1 4.04Å; L67-V99 HydrophobicContact CG-CG2 4.44Å; I68-V99 HydrophobicContact CB-CG2 4.21Å; I68-V99 HydrophobicContact CD1-CG2 4.31Å; I68-V99 HydrophobicContact CG1-CG2 3.24Å; V71-V99 HydrophobicContact CB-CG1 4.02Å; V71-V99 HydrophobicContact CG1-CG1 4.19Å; V71-V99 HydrophobicContact CG2-CG1 3.63Å; F79-V99 HydrophobicContact CE1-CG2 4.3Å; F79-V99 HydrophobicContact CZ-CB 4.44Å; F79-V99 HydrophobicContact CZ-CG1 4.46Å; F79-V99 HydrophobicContact CZ-CG2 4.03Å; N95-V99 PolarHBondContact O-N 3.39Å; V96-V99 PolarHBondContact O-N 2.94Å; T97-V99 VanDerWaalsContact C-N 3.32Å; T97-V99 PolarHBondContact O-N 3.39Å; V99-R101 PolarHBondContact O-N 3.1Å; V99-F102 PolarHBondContact O-N 2.81Å; V99-F102 VanDerWaalsContact O-N 3.11Å; V99-L103 HydrophobicContact CG1-CD1 3.9Å; V99-L103 HydrophobicContact CG1-CG 4.14Å; V99-L103 VanDerWaalsContact O-CG 3.31Å; V99-L103 WeakPolarHBondContact O-CG 3.31Å; V99-L103 PolarHBondContact O-N 2.91Å |
| 100 | L | 93.4 | Very high | 88.5 | Confident | 8 Ų | 8 | 51 Ų | 51 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.2 | -49.9 | -179.7 | -63.3 | 174 | 0 | 0 | 0 | 110.7 | V96 T97 F102 L103 E104 L111 D115 I119 L130 | V96-L100 HydrophobicContact CG1-CD1 3.95Å; V96-L100 HydrophobicContact CG1-CG 4.17Å; V96-L100 WeakPolarHBondContact O-CG 3.44Å; V96-L100 PolarHBondContact O-N 2.74Å; T97-L100 PolarHBondContact O-N 2.87Å; L100-F102 VanDerWaalsContact C-N 3.35Å; L100-F102 PolarHBondContact O-N 3.33Å; L100-L103 WeakPolarHBondContact O-CB 3.44Å; L100-L103 PolarHBondContact O-N 2.93Å; L100-L103 VanDerWaalsContact O-N 3.17Å; L100-E104 VanDerWaalsContact O-CD 3.3Å; L100-E104 PolarHBondContact O-N 3.35Å; L100-L111 HydrophobicContact CB-CD1 4.12Å; L100-L111 HydrophobicContact CD2-CD1 3.41Å; L100-L111 VanDerWaalsContact CD2-CD1 3.41Å; L100-L111 HydrophobicContact CG-CD1 4.36Å; L100-D115 VanDerWaalsContact CD1-C 3.5Å; L100-I119 HydrophobicContact CD1-CD1 4.35Å; L100-I119 HydrophobicContact CD2-CD1 3.96Å; L100-I119 HydrophobicContact CG-CD1 4.48Å; L100-L130 HydrophobicContact CD2-CD2 4.24Å |
| 101 | R | 88.3 | Confident | 88.3 | Confident | 146 Ų | 146 | 46.9 Ų | 46.9 | 55% | 0.551 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -58.9 | -39.6 | 173.4 | -81.7 | -168.4 | 179.2 | 174.2 | 1.5 | 113.8 | T97 V99 E104 E105 | T97-R101 WeakPolarHBondContact O-CB 3.48Å; T97-R101 PolarHBondContact O-N 3.43Å; V99-R101 PolarHBondContact O-N 3.1Å; R101-E104 PolarHBondContact O-N 2.88Å; R101-E105 WeakPolarHBondContact CD-OE1 3.19Å; R101-E105 IonicContact NE-OE1 3.67Å; R101-E105 WeakPolarHBondContact O-CB 3.33Å; R101-E105 WeakPolarHBondContact O-CG 3.27Å; R101-E105 PolarHBondContact O-N 3.05Å |
| 102 | F | 92.4 | Very high | 87 | Confident | 18 Ų | 18 | 47.6 Ų | 47.6 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.9 | -41.5 | 177.3 | 171.8 | -88.2 | 0 | 0 | 0 | 111.6 | V71 Q77 F79 M98 V99 L100 E104 N106 E107 | V71-F102 HydrophobicContact CG1-CD1 3.69Å; V71-F102 HydrophobicContact CG1-CE1 3.7Å; Q77-F102 HydrophobicContact CB-CE2 4.03Å; Q77-F102 HydrophobicContact CB-CZ 3.76Å; Q77-F102 HydrophobicContact CG-CE2 4.31Å; Q77-F102 HydrophobicContact CG-CZ 3.94Å; F79-F102 HydrophobicContact CE1-CB 3.48Å; F79-F102 VanDerWaalsContact CE1-CB 3.48Å; F79-F102 HydrophobicContact CE1-CD1 4.28Å; F79-F102 HydrophobicContact CE1-CD2 4.13Å; F79-F102 AromaticContact CE1-CG 3.7Å; F79-F102 HydrophobicContact CE1-CG 3.7Å; F79-F102 HydrophobicContact CE2-CD1 4.4Å; F79-F102 HydrophobicContact CZ-CB 3.66Å; F79-F102 AromaticContact CZ-CD1 3.61Å; F79-F102 HydrophobicContact CZ-CD1 3.61Å; F79-F102 HydrophobicContact CZ-CD2 4.13Å; F79-F102 HydrophobicContact CZ-CE1 4.3Å; F79-F102 AromaticContact CZ-CG 3.51Å; F79-F102 HydrophobicContact CZ-CG 3.51Å; M98-F102 WeakPolarHBondContact O-CB 3.48Å; M98-F102 PolarHBondContact O-N 3.22Å; M98-F102 VanDerWaalsContact O-N 3.15Å; V99-F102 PolarHBondContact O-N 2.81Å; V99-F102 VanDerWaalsContact O-N 3.11Å; L100-F102 VanDerWaalsContact C-N 3.35Å; L100-F102 PolarHBondContact O-N 3.33Å; F102-E104 VanDerWaalsContact C-N 3.33Å; F102-E104 PolarHBondContact O-N 2.69Å; F102-N106 HydrophobicContact CD2-CB 3.71Å; F102-N106 WeakPolarHBondContact CD2-OD1 3.43Å; F102-N106 HydrophobicContact CE2-CB 3.7Å; F102-N106 HydrophobicContact CG-CB 4.27Å; F102-N106 HydrophobicContact CZ-CB 4.25Å; F102-N106 WeakPolarHBondContact O-CA 3.5Å; F102-N106 VanDerWaalsContact O-CB 3.27Å; F102-N106 WeakPolarHBondContact O-CB 3.46Å; F102-N106 PolarHBondContact O-N 3.33Å; F102-E107 HydrophobicContact CD1-CG 4.11Å; F102-E107 HydrophobicContact CE1-CG 3.49Å; F102-E107 VanDerWaalsContact CE1-CG 3.49Å; F102-E107 HydrophobicContact CZ-CG 3.95Å; F102-E107 VanDerWaalsContact CZ-OE1 3.22Å; F102-E107 WeakPolarHBondContact CZ-OE1 3.5Å; F102-E107 PolarHBondContact O-N 3.42Å; F102-E107 VanDerWaalsContact O-N 3.17Å |
| 103 | L | 90.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.6 | -42.9 | 175.6 | -64.2 | 171.6 | 0 | 0 | 0 | 110.7 | V71 V99 L100 E107 G108 L109 L111 L130 L134 | V71-L103 HydrophobicContact CG1-CD2 3.68Å; V71-L103 HydrophobicContact CG1-CG 4.4Å; V71-L103 HydrophobicContact CG2-CD1 4.32Å; V71-L103 HydrophobicContact CG2-CD2 3.96Å; V71-L103 HydrophobicContact CG2-CG 4.49Å; V99-L103 HydrophobicContact CG1-CD1 3.9Å; V99-L103 HydrophobicContact CG1-CG 4.14Å; V99-L103 VanDerWaalsContact O-CG 3.31Å; V99-L103 WeakPolarHBondContact O-CG 3.31Å; V99-L103 PolarHBondContact O-N 2.91Å; L100-L103 WeakPolarHBondContact O-CB 3.44Å; L100-L103 PolarHBondContact O-N 2.93Å; L100-L103 VanDerWaalsContact O-N 3.17Å; L103-E107 CarbonylContact O-C 3.46Å; L103-E107 PolarHBondContact O-N 2.84Å; L103-G108 PolarHBondContact O-N 3.35Å; L103-L109 HydrophobicContact CB-CB 4.22Å; L103-L109 HydrophobicContact CB-CD1 3.94Å; L103-L109 HydrophobicContact CD2-CD1 3.62Å; L103-L109 HydrophobicContact CG-CD1 4.28Å; L103-L109 WeakPolarHBondContact O-CB 3.14Å; L103-L109 PolarHBondContact O-N 3.11Å; L103-L111 HydrophobicContact CB-CD1 4.22Å; L103-L111 HydrophobicContact CB-CD2 4.44Å; L103-L111 HydrophobicContact CB-CG 4.5Å; L103-L111 HydrophobicContact CD1-CD1 4.19Å; L103-L111 HydrophobicContact CD1-CD2 4.41Å; L103-L130 HydrophobicContact CD1-CD1 4.05Å; L103-L134 HydrophobicContact CD1-CD2 3.95Å; L103-L134 HydrophobicContact CD2-CD2 3.63Å; L103-L134 HydrophobicContact CG-CD2 4.44Å |
| 104 | E | 87.1 | Confident | 85.4 | Confident | 12 Ų | 12 | 45.6 Ų | 45.6 | 6% | 0.056 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.4 | -58.7 | 174.5 | -85.9 | 134.2 | -139.9 | 0 | 0 | 114.6 | L100 R101 F102 G108 L111 Y2172 | L100-E104 VanDerWaalsContact O-CD 3.3Å; L100-E104 PolarHBondContact O-N 3.35Å; R101-E104 PolarHBondContact O-N 2.88Å; F102-E104 VanDerWaalsContact C-N 3.33Å; F102-E104 PolarHBondContact O-N 2.69Å; E104-G108 WeakPolarHBondContact O-CA 3.47Å; E104-G108 PolarHBondContact O-N 3.09Å; E104-L111 WeakPolarHBondContact OE1-CD1 3.37Å; E104-Y2172 VanDerWaalsContact CD-CE1 3.46Å; E104-Y2172 HydrophobicContact CG-CD1 3.56Å; E104-Y2172 HydrophobicContact CG-CD2 4.35Å; E104-Y2172 HydrophobicContact CG-CE1 4.17Å; E104-Y2172 HydrophobicContact CG-CG 3.63Å; E104-Y2172 WeakPolarHBondContact OE1-CD2 3.38Å; E104-Y2172 WeakPolarHBondContact OE1-CE2 3.4Å; E104-Y2172 VanDerWaalsContact OE2-CE1 3.3Å; E104-Y2172 WeakPolarHBondContact OE2-CE1 3.18Å |
| 105 | E | 84.9 | Confident | 85.3 | Confident | 122 Ų | 122 | 43.8 Ų | 43.8 | 57% | 0.57 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -85.4 | -29.4 | -165.3 | -62.4 | 177 | -164.6 | 0 | 0 | 112.7 | R101 | R101-E105 WeakPolarHBondContact CD-OE1 3.19Å; R101-E105 IonicContact NE-OE1 3.67Å; R101-E105 WeakPolarHBondContact O-CB 3.33Å; R101-E105 WeakPolarHBondContact O-CG 3.27Å; R101-E105 PolarHBondContact O-N 3.05Å |
| 106 | N | 85.2 | Confident | 85.1 | Confident | 96 Ų | 96 | 44.8 Ų | 44.8 | 51% | 0.513 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -41.7 | -176.8 | -58.4 | 113.7 | 0 | 0 | 0 | 113 | F102 | F102-N106 HydrophobicContact CD2-CB 3.71Å; F102-N106 WeakPolarHBondContact CD2-OD1 3.43Å; F102-N106 HydrophobicContact CE2-CB 3.7Å; F102-N106 HydrophobicContact CG-CB 4.27Å; F102-N106 HydrophobicContact CZ-CB 4.25Å; F102-N106 WeakPolarHBondContact O-CA 3.5Å; F102-N106 VanDerWaalsContact O-CB 3.27Å; F102-N106 WeakPolarHBondContact O-CB 3.46Å; F102-N106 PolarHBondContact O-N 3.33Å |
| 107 | E | 86 | Confident | 84.8 | Confident | 42 Ų | 42 | 46 Ų | 46 | 20% | 0.196 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -98.9 | -6.5 | -178 | -53.9 | -67 | 145.9 | 0 | 0 | 112.8 | S75 Q77 F102 L103 L109 Y138 | S75-E107 WeakPolarHBondContact CB-OE1 3.41Å; Q77-E107 PolarHBondContact NE2-OE1 3.17Å; F102-E107 HydrophobicContact CD1-CG 4.11Å; F102-E107 HydrophobicContact CE1-CG 3.49Å; F102-E107 VanDerWaalsContact CE1-CG 3.49Å; F102-E107 HydrophobicContact CZ-CG 3.95Å; F102-E107 VanDerWaalsContact CZ-OE1 3.22Å; F102-E107 WeakPolarHBondContact CZ-OE1 3.5Å; F102-E107 PolarHBondContact O-N 3.42Å; F102-E107 VanDerWaalsContact O-N 3.17Å; L103-E107 CarbonylContact O-C 3.46Å; L103-E107 PolarHBondContact O-N 2.84Å; E107-L109 VanDerWaalsContact C-N 3.32Å; E107-L109 HydrophobicContact CB-CD1 4.28Å; E107-L109 PolarHBondContact O-N 2.89Å; E107-Y138 WeakPolarHBondContact CG-OH 3.33Å; E107-Y138 PolarHBondContact OE2-OH 3.12Å |
| 108 | G | 79.4 | Confident | 84.7 | Confident | 46 Ų | 46 | 44 Ų | 44 | 47% | 0.474 | 22% | 0.224 | S | C | . | . | trans | 71.2 | 21.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L103 E104 | L103-G108 PolarHBondContact O-N 3.35Å; E104-G108 WeakPolarHBondContact O-CA 3.47Å; E104-G108 PolarHBondContact O-N 3.09Å | ||
| 109 | L | 81.2 | Confident | 84.6 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | trans | -76.3 | 129 | -173.7 | -84.4 | 163.2 | 0 | 0 | 0 | 113 | L103 E107 L111 T133 L134 H137 Y138 | L103-L109 HydrophobicContact CB-CB 4.22Å; L103-L109 HydrophobicContact CB-CD1 3.94Å; L103-L109 HydrophobicContact CD2-CD1 3.62Å; L103-L109 HydrophobicContact CG-CD1 4.28Å; L103-L109 WeakPolarHBondContact O-CB 3.14Å; L103-L109 PolarHBondContact O-N 3.11Å; E107-L109 VanDerWaalsContact C-N 3.32Å; E107-L109 HydrophobicContact CB-CD1 4.28Å; E107-L109 PolarHBondContact O-N 2.89Å; L109-L111 VanDerWaalsContact C-N 3.29Å; L109-L111 HydrophobicContact CB-CD2 4.14Å; L109-L111 PolarHBondContact O-N 2.91Å; L109-T133 HydrophobicContact CD2-CG2 4Å; L109-L134 HydrophobicContact CD1-CD2 4.01Å; L109-H137 HydrophobicContact CD2-CB 3.6Å; L109-H137 VanDerWaalsContact CD2-CG 3.42Å; L109-H137 WeakPolarHBondContact CD2-ND1 3.22Å; L109-Y138 HydrophobicContact CD1-CE2 4.23Å | ||
| 110 | R | 77.5 | Confident | 84.5 | Confident | 123 Ų | 123 | 41.8 Ų | 41.8 | 46% | 0.464 | 21% | 0.213 | S | C | . | . | trans | -73.2 | 82.9 | 165.4 | -92 | 169.5 | 177.6 | -123.4 | -8.8 | 110.3 | F2171 Y2172 T2173 | R110-F2171 HydrophobicContact CB-CD1 4.2Å; R110-F2171 HydrophobicContact CG-CB 4.48Å; R110-F2171 HydrophobicContact CG-CD1 3.92Å; R110-F2171 VanDerWaalsContact NH1-CD1 3.3Å; R110-Y2172 VanDerWaalsContact CA-O 3.3Å; R110-Y2172 WeakPolarHBondContact CA-O 3.33Å; R110-Y2172 WeakPolarHBondContact CG-O 3.46Å; R110-T2173 HydrophobicContact CG-CG2 4.11Å; R110-T2173 VanDerWaalsContact CZ-OG1 3.24Å; R110-T2173 PolarHBondContact NE-OG1 2.82Å; R110-T2173 PolarHBondContact NH2-OG1 2.98Å | ||
| 111 | L | 76.9 | Confident | 84.1 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | trans | -66.5 | 146.7 | 163 | -56.6 | -160.7 | 0 | 0 | 0 | 109.5 | L100 L103 E104 L109 L130 T133 Y2172 | L100-L111 HydrophobicContact CB-CD1 4.12Å; L100-L111 HydrophobicContact CD2-CD1 3.41Å; L100-L111 VanDerWaalsContact CD2-CD1 3.41Å; L100-L111 HydrophobicContact CG-CD1 4.36Å; L103-L111 HydrophobicContact CB-CD1 4.22Å; L103-L111 HydrophobicContact CB-CD2 4.44Å; L103-L111 HydrophobicContact CB-CG 4.5Å; L103-L111 HydrophobicContact CD1-CD1 4.19Å; L103-L111 HydrophobicContact CD1-CD2 4.41Å; E104-L111 WeakPolarHBondContact OE1-CD1 3.37Å; L109-L111 VanDerWaalsContact C-N 3.29Å; L109-L111 HydrophobicContact CB-CD2 4.14Å; L109-L111 PolarHBondContact O-N 2.91Å; L111-L130 HydrophobicContact CD1-CD1 4.22Å; L111-L130 HydrophobicContact CD2-CD1 3.71Å; L111-T133 HydrophobicContact CD2-CG2 4.09Å; L111-Y2172 HydrophobicContact CB-CD2 3.94Å; L111-Y2172 PolarHBondContact O-N 2.76Å | ||
| 112 | V | 60 | Low | 84.2 | Confident | 58 Ų | 58 | 39 Ų | 39 | 35% | 0.352 | 21% | 0.211 | S | C | . | . | trans | -141.8 | 111 | -167 | 171.5 | 0 | 0 | 0 | 0 | 107.8 | I114 F2171 | V112-I114 VanDerWaalsContact C-N 3.28Å; V112-I114 PolarHBondContact O-N 2.8Å; V112-F2171 HydrophobicContact CG2-CD1 4.31Å | ||
| 113 | N | 69.3 | Low | 83.7 | Confident | 46 Ų | 46 | 44.2 Ų | 44.2 | 25% | 0.246 | 23% | 0.231 | C | C | . | . | S | Bend | trans | 67.9 | 24.6 | 163.9 | -45.8 | 9.5 | 0 | 0 | 0 | 114.2 | L126 R2169 T2170 | N113-L126 HydrophobicContact CB-CD2 4.41Å; N113-L126 WeakPolarHBondContact O-CD1 3.32Å; N113-L126 WeakPolarHBondContact O-CD2 3.38Å; N113-R2169 HydrophobicContact CB-CG 4.05Å; N113-R2169 VanDerWaalsContact CG-CA 3.44Å; N113-R2169 VanDerWaalsContact CG-O 3.28Å; N113-R2169 WeakPolarHBondContact ND2-CB 3.23Å; N113-R2169 PolarHBondContact ND2-O 2.8Å; N113-R2169 WeakPolarHBondContact OD1-CA 3.12Å; N113-R2169 PolarHBondContact OD1-O 2.81Å; N113-T2170 PolarHBondContact OD1-N 2.77Å |
| 114 | I | 82.3 | Confident | 83.4 | Confident | 8 Ų | 8 | 46.6 Ų | 46.6 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | trans | -132.3 | 122.7 | 179.6 | -164.7 | 175.3 | 0 | 0 | 0 | 109.2 | V112 D118 I119 L126 L130 | V112-I114 VanDerWaalsContact C-N 3.28Å; V112-I114 PolarHBondContact O-N 2.8Å; I114-D118 WeakPolarHBondContact CA-OD2 3.19Å; I114-D118 HydrophobicContact CG1-CB 3.81Å; I114-I119 HydrophobicContact CD1-CD1 3.74Å; I114-I119 HydrophobicContact CD1-CG1 3.5Å; I114-I119 HydrophobicContact CG1-CD1 4.15Å; I114-I119 HydrophobicContact CG1-CG1 3.97Å; I114-L126 HydrophobicContact CB-CB 4.4Å; I114-L126 HydrophobicContact CD1-CB 4.22Å; I114-L126 WeakPolarHBondContact CD1-O 3.09Å; I114-L126 HydrophobicContact CG1-CB 4.11Å; I114-L130 HydrophobicContact CD1-CB 3.63Å; I114-L130 HydrophobicContact CD1-CD2 4.04Å; I114-L130 HydrophobicContact CD1-CG 4.46Å; I114-L130 HydrophobicContact CG2-CB 4.45Å | ||
| 115 | D | 87.5 | Confident | 83.1 | Confident | 73 Ų | 73 | 54.8 Ų | 54.8 | 39% | 0.39 | 28% | 0.283 | S | S | . | . | trans | -106 | -176.6 | 168.4 | 75.3 | 20.2 | 0 | 0 | 0 | 111.3 | L100 S117 D118 | L100-D115 VanDerWaalsContact CD1-C 3.5Å; D115-S117 VanDerWaalsContact C-N 3.27Å; D115-S117 PolarHBondContact O-N 3.34Å; D115-S117 VanDerWaalsContact OD1-CA 3.22Å; D115-S117 WeakPolarHBondContact OD1-CA 3.44Å; D115-S117 VanDerWaalsContact OD1-CB 3.27Å; D115-S117 WeakPolarHBondContact OD1-CB 3.42Å; D115-S117 PolarHBondContact OD1-N 2.82Å; D115-S117 PolarHBondContact OD1-OG 3.23Å; D115-S117 PolarHBondContact OD2-OG 3.33Å; D115-D118 PolarHBondContact N-OD2 2.93Å; D115-D118 PolarHBondContact O-N 2.78Å; D115-D118 PolarHBondContact OD1-N 3.01Å | ||
| 116 | S | 91.1 | Very high | 83.2 | Confident | 22 Ų | 22 | 50.4 Ų | 50.4 | 15% | 0.154 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.6 | -29.4 | 177.9 | 52.4 | 0 | 0 | 0 | 0 | 113.3 | L93 T97 V120 | L93-S116 VanDerWaalsContact CD2-C 3.49Å; L93-S116 WeakPolarHBondContact CD2-OG 3.43Å; T97-S116 VanDerWaalsContact OG1-CB 3.32Å; T97-S116 WeakPolarHBondContact OG1-CB 3.28Å; T97-S116 PolarHBondContact OG1-OG 2.88Å; S116-V120 WeakPolarHBondContact O-CB 3.49Å; S116-V120 WeakPolarHBondContact O-CG2 3.38Å; S116-V120 PolarHBondContact O-N 2.91Å; S116-V120 VanDerWaalsContact O-N 3.15Å |
| 117 | S | 89.1 | Confident | 83.5 | Confident | 24 Ų | 24 | 46 Ų | 46 | 17% | 0.168 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -74.3 | -35.5 | 178.3 | 77.6 | 0 | 0 | 0 | 0 | 112.4 | D115 I119 V120 D121 | D115-S117 VanDerWaalsContact C-N 3.27Å; D115-S117 PolarHBondContact O-N 3.34Å; D115-S117 VanDerWaalsContact OD1-CA 3.22Å; D115-S117 WeakPolarHBondContact OD1-CA 3.44Å; D115-S117 VanDerWaalsContact OD1-CB 3.27Å; D115-S117 WeakPolarHBondContact OD1-CB 3.42Å; D115-S117 PolarHBondContact OD1-N 2.82Å; D115-S117 PolarHBondContact OD1-OG 3.23Å; D115-S117 PolarHBondContact OD2-OG 3.33Å; S117-I119 PolarHBondContact O-N 3.23Å; S117-V120 PolarHBondContact O-N 3.18Å; S117-D121 WeakPolarHBondContact O-CA 3.5Å; S117-D121 WeakPolarHBondContact O-CB 3.46Å; S117-D121 VanDerWaalsContact O-CG 3.28Å; S117-D121 PolarHBondContact O-N 3.4Å |
| 118 | D | 90.3 | Very high | 83.7 | Confident | 10 Ų | 10 | 44.8 Ų | 44.8 | 5% | 0.053 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.3 | -31.2 | 176.2 | -69.7 | -53.5 | 0 | 0 | 0 | 112.7 | I114 D115 R123 L126 | I114-D118 WeakPolarHBondContact CA-OD2 3.19Å; I114-D118 HydrophobicContact CG1-CB 3.81Å; D115-D118 PolarHBondContact N-OD2 2.93Å; D115-D118 PolarHBondContact O-N 2.78Å; D115-D118 PolarHBondContact OD1-N 3.01Å; D118-R123 WeakPolarHBondContact O-CB 3.34Å; D118-R123 PolarHBondContact O-N 3.05Å; D118-R123 WeakPolarHBondContact OD1-CD 3.32Å; D118-R123 IonicContact OD1-CZ 3.19Å; D118-R123 IonicContact OD1-NE 3.94Å; D118-R123 IonicContact OD1-NH1 2.9Å; D118-R123 PolarHBondContact OD1-NH1 3.2Å; D118-L126 HydrophobicContact CB-CB 4.39Å; D118-L126 HydrophobicContact CB-CD1 3.86Å; D118-L126 WeakPolarHBondContact OD1-CD1 3.33Å |
| 119 | I | 91.1 | Very high | 84.3 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -83 | -45.5 | 176.5 | -62.7 | 160.5 | 0 | 0 | 0 | 111.1 | L61 A62 L67 V96 L100 I114 S117 D121 C122 I127 L130 | L61-I119 HydrophobicContact CB-CG2 4.22Å; L61-I119 WeakPolarHBondContact O-CG2 3.42Å; A62-I119 WeakPolarHBondContact CA-O 3.34Å; A62-I119 WeakPolarHBondContact CB-O 3.47Å; L67-I119 HydrophobicContact CD2-CD1 4.12Å; L67-I119 HydrophobicContact CD2-CG2 4.48Å; V96-I119 HydrophobicContact CG1-CB 3.97Å; V96-I119 HydrophobicContact CG1-CD1 3.42Å; V96-I119 VanDerWaalsContact CG1-CD1 3.42Å; V96-I119 HydrophobicContact CG1-CG1 4.27Å; V96-I119 HydrophobicContact CG1-CG2 4.18Å; V96-I119 HydrophobicContact CG2-CG2 4.05Å; L100-I119 HydrophobicContact CD1-CD1 4.35Å; L100-I119 HydrophobicContact CD2-CD1 3.96Å; L100-I119 HydrophobicContact CG-CD1 4.48Å; I114-I119 HydrophobicContact CD1-CD1 3.74Å; I114-I119 HydrophobicContact CD1-CG1 3.5Å; I114-I119 HydrophobicContact CG1-CD1 4.15Å; I114-I119 HydrophobicContact CG1-CG1 3.97Å; S117-I119 PolarHBondContact O-N 3.23Å; I119-D121 VanDerWaalsContact C-N 3.29Å; I119-D121 PolarHBondContact O-N 2.95Å; I119-C122 PolarHBondContact O-N 3.08Å; I119-C122 VanDerWaalsContact O-N 3.14Å; I119-I127 HydrophobicContact CG1-CG1 4.24Å; I119-L130 HydrophobicContact CD1-CD2 3.7Å |
| 120 | V | 90.3 | Very high | 84.8 | Confident | 13 Ų | 13 | 43.5 Ų | 43.5 | 8% | 0.079 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.9 | -29.6 | -179 | 174.4 | 0 | 0 | 0 | 0 | 112.3 | R89 K92 L93 V96 S116 S117 | R89-V120 HydrophobicContact CG-CG1 3.75Å; K92-V120 HydrophobicContact CB-CG1 3.85Å; K92-V120 HydrophobicContact CB-CG2 3.75Å; K92-V120 HydrophobicContact CD-CG1 4.12Å; L93-V120 HydrophobicContact CD2-CB 4.23Å; L93-V120 HydrophobicContact CD2-CG2 4.04Å; L93-V120 HydrophobicContact CG-CG2 4.27Å; V96-V120 HydrophobicContact CB-CG2 4.47Å; V96-V120 HydrophobicContact CG2-CG2 3.97Å; S116-V120 WeakPolarHBondContact O-CB 3.49Å; S116-V120 WeakPolarHBondContact O-CG2 3.38Å; S116-V120 PolarHBondContact O-N 2.91Å; S116-V120 VanDerWaalsContact O-N 3.15Å; S117-V120 PolarHBondContact O-N 3.18Å |
| 121 | D | 85.8 | Confident | 85.7 | Confident | 67 Ų | 67 | 37.7 Ų | 37.7 | 36% | 0.358 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 19 | 175 | -52 | -20 | 0 | 0 | 0 | 112 | R89 S117 I119 R123 | R89-D121 IonicContact CZ-OD1 2.6Å; R89-D121 IonicContact CZ-OD2 3.84Å; R89-D121 IonicContact NE-OD1 3.04Å; R89-D121 PolarHBondContact NE-OD1 3.41Å; R89-D121 IonicContact NE-OD2 3.6Å; R89-D121 VanDerWaalsContact NH2-CG 3.28Å; R89-D121 IonicContact NH2-OD1 2.84Å; R89-D121 PolarHBondContact NH2-OD1 2.92Å; R89-D121 VanDerWaalsContact NH2-OD1 3.09Å; R89-D121 IonicContact NH2-OD2 3.91Å; R89-D121 PolarHBondContact NH2-OD2 2.95Å; S117-D121 WeakPolarHBondContact O-CA 3.5Å; S117-D121 WeakPolarHBondContact O-CB 3.46Å; S117-D121 VanDerWaalsContact O-CG 3.28Å; S117-D121 PolarHBondContact O-N 3.4Å; I119-D121 VanDerWaalsContact C-N 3.29Å; I119-D121 PolarHBondContact O-N 2.95Å; D121-R123 PolarHBondContact O-N 3.18Å |
| 122 | C | 89.7 | Confident | 86.5 | Confident | 28 Ų | 28 | 39.1 Ų | 39.1 | 19% | 0.189 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 37.1 | 162.5 | -52.5 | 0 | 0 | 0 | 0 | 116.2 | Q58 F59 I119 S124 | Q58-C122 HydrophobicContact CG-CB 4.22Å; Q58-C122 WeakPolarHBondContact CG-O 3.22Å; Q58-C122 PolarHBondContact NE2-O 3.41Å; Q58-C122 WeakPolarHBondContact O-CA 3.47Å; Q58-C122 WeakPolarHBondContact O-CB 3.33Å; F59-C122 HydrophobicContact CD1-CB 3.77Å; F59-C122 HydrophobicContact CE1-CB 3.93Å; I119-C122 PolarHBondContact O-N 3.08Å; I119-C122 VanDerWaalsContact O-N 3.14Å; C122-S124 PolarHBondContact O-N 2.92Å |
| 123 | R | 83.4 | Confident | 88.1 | Confident | 129 Ų | 129 | 37.6 Ų | 37.6 | 49% | 0.487 | 20% | 0.197 | S | C | . | . | trans | -80.3 | 87.3 | -177.1 | -68.5 | 179.8 | 170.6 | 175.4 | -0.6 | 113 | D118 D121 K125 L126 I127 | D118-R123 WeakPolarHBondContact O-CB 3.34Å; D118-R123 PolarHBondContact O-N 3.05Å; D118-R123 WeakPolarHBondContact OD1-CD 3.32Å; D118-R123 IonicContact OD1-CZ 3.19Å; D118-R123 IonicContact OD1-NE 3.94Å; D118-R123 IonicContact OD1-NH1 2.9Å; D118-R123 PolarHBondContact OD1-NH1 3.2Å; D121-R123 PolarHBondContact O-N 3.18Å; R123-K125 PolarHBondContact O-N 3.33Å; R123-K125 VanDerWaalsContact O-N 3.14Å; R123-L126 HydrophobicContact CB-CD1 4.36Å; R123-L126 PolarHBondContact O-N 3.48Å; R123-I127 PolarHBondContact O-N 3.25Å; R123-I127 VanDerWaalsContact O-N 3.09Å | ||
| 124 | S | 82.5 | Confident | 89.2 | Confident | 50 Ų | 50 | 35.4 Ų | 35.4 | 35% | 0.35 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -34.8 | -57.7 | -178.3 | 59.2 | 0 | 0 | 0 | 0 | 115.7 | C122 L126 I127 L128 | C122-S124 PolarHBondContact O-N 2.92Å; S124-L126 PolarHBondContact O-N 3.46Å; S124-I127 PolarHBondContact O-N 2.79Å; S124-L128 WeakPolarHBondContact O-CB 3.17Å; S124-L128 VanDerWaalsContact O-CG 3.25Å; S124-L128 WeakPolarHBondContact O-CG 3.36Å; S124-L128 PolarHBondContact O-N 2.94Å |
| 125 | K | 82 | Confident | 89.8 | Confident | 183 Ų | 183 | 35 Ų | 35 | 80% | 0.796 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -58.3 | -32.3 | -176 | -174.1 | 174.1 | -179.5 | 176.3 | 0 | 113.4 | R123 G129 | R123-K125 PolarHBondContact O-N 3.33Å; R123-K125 VanDerWaalsContact O-N 3.14Å; K125-G129 PolarHBondContact O-N 3.02Å |
| 126 | L | 87.2 | Confident | 90 | Very high | 31 Ų | 31 | 34 Ų | 34 | 16% | 0.162 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -85.8 | -42.1 | -179.7 | -58.3 | 177.5 | 0 | 0 | 0 | 110.6 | N113 I114 D118 R123 S124 L128 G129 L130 | N113-L126 HydrophobicContact CB-CD2 4.41Å; N113-L126 WeakPolarHBondContact O-CD1 3.32Å; N113-L126 WeakPolarHBondContact O-CD2 3.38Å; I114-L126 HydrophobicContact CB-CB 4.4Å; I114-L126 HydrophobicContact CD1-CB 4.22Å; I114-L126 WeakPolarHBondContact CD1-O 3.09Å; I114-L126 HydrophobicContact CG1-CB 4.11Å; D118-L126 HydrophobicContact CB-CB 4.39Å; D118-L126 HydrophobicContact CB-CD1 3.86Å; D118-L126 WeakPolarHBondContact OD1-CD1 3.33Å; R123-L126 HydrophobicContact CB-CD1 4.36Å; R123-L126 PolarHBondContact O-N 3.48Å; S124-L126 PolarHBondContact O-N 3.46Å; L126-L128 VanDerWaalsContact C-N 3.33Å; L126-L128 PolarHBondContact O-N 3.47Å; L126-G129 CarbonylContact O-C 3.47Å; L126-G129 VanDerWaalsContact O-CA 3.23Å; L126-G129 WeakPolarHBondContact O-CA 3.35Å; L126-G129 PolarHBondContact O-N 3.16Å; L126-L130 PolarHBondContact O-N 3.46Å |
| 127 | I | 91.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59 | -43 | 174.4 | -62.6 | 170.7 | 0 | 0 | 0 | 111.4 | L57 Q58 L61 I119 R123 S124 G129 L130 I131 | L57-I127 HydrophobicContact CG-CG2 4.35Å; L57-I127 WeakPolarHBondContact O-CG2 3.41Å; Q58-I127 WeakPolarHBondContact O-CD1 3.32Å; L61-I127 HydrophobicContact CD1-CG2 3.88Å; I119-I127 HydrophobicContact CG1-CG1 4.24Å; R123-I127 PolarHBondContact O-N 3.25Å; R123-I127 VanDerWaalsContact O-N 3.09Å; S124-I127 PolarHBondContact O-N 2.79Å; I127-G129 VanDerWaalsContact C-N 3.26Å; I127-G129 PolarHBondContact O-N 2.9Å; I127-L130 PolarHBondContact O-N 3.08Å; I127-I131 WeakPolarHBondContact O-CG1 3.25Å; I127-I131 PolarHBondContact O-N 3.28Å |
| 128 | L | 90.4 | Very high | 90 | Very high | 17 Ų | 17 | 34.7 Ų | 34.7 | 9% | 0.089 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.1 | -34.3 | 171.2 | -67 | 169.8 | 0 | 0 | 0 | 111.7 | K36 F39 L57 S124 L126 W132 | K36-L128 HydrophobicContact CB-CD2 4.06Å; F39-L128 HydrophobicContact CD2-CB 4.36Å; F39-L128 HydrophobicContact CD2-CD2 3.67Å; F39-L128 HydrophobicContact CE2-CB 4.31Å; F39-L128 HydrophobicContact CE2-CD2 4.28Å; F39-L128 VanDerWaalsContact CE2-O 3.3Å; F39-L128 WeakPolarHBondContact CE2-O 3.47Å; F39-L128 HydrophobicContact CG-CD2 4.47Å; L57-L128 HydrophobicContact CD2-CD2 3.71Å; S124-L128 WeakPolarHBondContact O-CB 3.17Å; S124-L128 VanDerWaalsContact O-CG 3.25Å; S124-L128 WeakPolarHBondContact O-CG 3.36Å; S124-L128 PolarHBondContact O-N 2.94Å; L126-L128 VanDerWaalsContact C-N 3.33Å; L126-L128 PolarHBondContact O-N 3.47Å; L128-W132 WeakPolarHBondContact O-CB 3.29Å; L128-W132 PolarHBondContact O-N 2.84Å |
| 129 | G | 90.9 | Very high | 90.1 | Very high | 24 Ų | 24 | 34.9 Ų | 34.9 | 25% | 0.247 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63 | -44.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | K125 L126 I127 T133 | K125-G129 PolarHBondContact O-N 3.02Å; L126-G129 CarbonylContact O-C 3.47Å; L126-G129 VanDerWaalsContact O-CA 3.23Å; L126-G129 WeakPolarHBondContact O-CA 3.35Å; L126-G129 PolarHBondContact O-N 3.16Å; I127-G129 VanDerWaalsContact C-N 3.26Å; I127-G129 PolarHBondContact O-N 2.9Å; G129-T133 WeakPolarHBondContact O-CB 3.42Å; G129-T133 PolarHBondContact O-N 3.49Å; G129-T133 PolarHBondContact O-OG1 3.41Å |
| 130 | L | 93.2 | Very high | 90 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.4 | -49.5 | 174.7 | 171.8 | 61.2 | 0 | 0 | 0 | 111.7 | L67 L100 L103 L111 I114 I119 L126 I127 W132 T133 L134 | L67-L130 HydrophobicContact CD1-CD2 4.19Å; L67-L130 HydrophobicContact CD2-CD2 4.37Å; L100-L130 HydrophobicContact CD2-CD2 4.24Å; L103-L130 HydrophobicContact CD1-CD1 4.05Å; L111-L130 HydrophobicContact CD1-CD1 4.22Å; L111-L130 HydrophobicContact CD2-CD1 3.71Å; I114-L130 HydrophobicContact CD1-CB 3.63Å; I114-L130 HydrophobicContact CD1-CD2 4.04Å; I114-L130 HydrophobicContact CD1-CG 4.46Å; I114-L130 HydrophobicContact CG2-CB 4.45Å; I119-L130 HydrophobicContact CD1-CD2 3.7Å; L126-L130 PolarHBondContact O-N 3.46Å; I127-L130 PolarHBondContact O-N 3.08Å; L130-W132 VanDerWaalsContact C-N 3.31Å; L130-W132 PolarHBondContact O-N 3.33Å; L130-T133 WeakPolarHBondContact O-CA 3.11Å; L130-T133 VanDerWaalsContact O-CB 3.3Å; L130-T133 WeakPolarHBondContact O-CB 3.43Å; L130-T133 PolarHBondContact O-N 2.88Å; L130-L134 HydrophobicContact CD1-CD1 4.47Å; L130-L134 HydrophobicContact CD1-CG 4.33Å; L130-L134 HydrophobicContact CG-CD1 4.46Å; L130-L134 PolarHBondContact O-N 2.82Å |
| 131 | I | 95.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.2 | -36.6 | -177.7 | -62.9 | -77 | 0 | 0 | 0 | 110.5 | F39 W42 L57 L61 L70 I127 T133 L134 I135 | F39-I131 HydrophobicContact CB-CG2 3.77Å; F39-I131 HydrophobicContact CD2-CB 4.25Å; F39-I131 HydrophobicContact CD2-CG2 4.05Å; F39-I131 HydrophobicContact CG-CG2 4.04Å; W42-I131 HydrophobicContact CE3-CG2 4.14Å; W42-I131 HydrophobicContact CZ3-CG2 4.23Å; L57-I131 HydrophobicContact CD1-CD1 4.06Å; L57-I131 HydrophobicContact CD1-CG1 3.96Å; L57-I131 HydrophobicContact CD1-CG2 4.34Å; L57-I131 HydrophobicContact CD2-CB 4.16Å; L57-I131 HydrophobicContact CD2-CG1 3.96Å; L57-I131 HydrophobicContact CD2-CG2 4.24Å; L57-I131 HydrophobicContact CG-CG1 4.09Å; L61-I131 HydrophobicContact CD1-CD1 3.81Å; L61-I131 HydrophobicContact CD1-CG1 4.1Å; L70-I131 HydrophobicContact CD2-CD1 3.74Å; I127-I131 WeakPolarHBondContact O-CG1 3.25Å; I127-I131 PolarHBondContact O-N 3.28Å; I131-T133 VanDerWaalsContact C-N 3.32Å; I131-T133 PolarHBondContact O-N 3.28Å; I131-L134 HydrophobicContact CD1-CD1 4.23Å; I131-L134 PolarHBondContact O-N 2.89Å; I131-I135 HydrophobicContact CG2-CD1 3.95Å; I131-I135 WeakPolarHBondContact O-CD1 3.23Å; I131-I135 VanDerWaalsContact O-CG1 3.28Å; I131-I135 WeakPolarHBondContact O-CG1 3.46Å; I131-I135 PolarHBondContact O-N 2.84Å |
| 132 | W | 94.4 | Very high | 89.7 | Confident | 31 Ų | 31 | 38.4 Ų | 38.4 | 12% | 0.117 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.9 | -41.1 | 167.3 | 175.7 | -114.2 | 0 | 0 | 0 | 113 | F39 L128 L130 L134 I135 L136 I140 K245 M248 | F39-W132 HydrophobicContact CE1-CE3 4.06Å; F39-W132 HydrophobicContact CE2-CB 3.77Å; F39-W132 HydrophobicContact CZ-CB 3.84Å; F39-W132 HydrophobicContact CZ-CD2 4.31Å; F39-W132 AromaticContact CZ-CE3 3.78Å; F39-W132 HydrophobicContact CZ-CE3 3.78Å; F39-W132 HydrophobicContact CZ-CG 4.38Å; L128-W132 WeakPolarHBondContact O-CB 3.29Å; L128-W132 PolarHBondContact O-N 2.84Å; L130-W132 VanDerWaalsContact C-N 3.31Å; L130-W132 PolarHBondContact O-N 3.33Å; W132-L134 VanDerWaalsContact C-N 3.32Å; W132-L134 PolarHBondContact O-N 2.76Å; W132-I135 HydrophobicContact CE3-CB 4.18Å; W132-I135 HydrophobicContact CE3-CD1 4.5Å; W132-I135 HydrophobicContact CE3-CG2 4.02Å; W132-I135 HydrophobicContact CZ3-CG2 3.86Å; W132-I135 PolarHBondContact O-N 3.31Å; W132-L136 HydrophobicContact CH2-CD1 4.38Å; W132-L136 HydrophobicContact CZ2-CD1 3.84Å; W132-L136 WeakPolarHBondContact O-CB 3.25Å; W132-L136 PolarHBondContact O-N 3.44Å; W132-I140 HydrophobicContact CH2-CD1 4.07Å; W132-I140 HydrophobicContact CZ3-CD1 4.39Å; W132-K245 HydrophobicContact CB-CD 4.31Å; W132-K245 HydrophobicContact CD2-CB 3.96Å; W132-K245 HydrophobicContact CD2-CD 3.61Å; W132-K245 HydrophobicContact CD2-CG 3.77Å; W132-K245 HydrophobicContact CE3-CB 3.61Å; W132-K245 HydrophobicContact CE3-CD 4.14Å; W132-K245 HydrophobicContact CE3-CG 3.97Å; W132-K245 HydrophobicContact CG-CD 3.66Å; W132-K245 HydrophobicContact CG-CG 4.36Å; W132-K245 HydrophobicContact CH2-CB 3.99Å; W132-K245 HydrophobicContact CH2-CG 4.05Å; W132-K245 HydrophobicContact CZ2-CB 4.32Å; W132-K245 HydrophobicContact CZ2-CD 4.47Å; W132-K245 HydrophobicContact CZ2-CG 3.88Å; W132-K245 HydrophobicContact CZ3-CB 3.64Å; W132-K245 HydrophobicContact CZ3-CG 4.11Å; W132-K245 WeakPolarHBondContact CZ3-O 3.38Å; W132-M248 HydrophobicContact CH2-CB 3.8Å; W132-M248 HydrophobicContact CH2-CE 3.9Å; W132-M248 HydrophobicContact CH2-CG 4.48Å; W132-M248 HydrophobicContact CH2-SD 3.97Å; W132-M248 HydrophobicContact CZ2-CE 4.27Å; W132-M248 HydrophobicContact CZ2-SD 4.37Å; W132-M248 HydrophobicContact CZ3-CB 4.24Å |
| 133 | T | 92.4 | Very high | 89.1 | Confident | 27 Ų | 27 | 38.5 Ų | 38.5 | 17% | 0.166 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.1 | -39.2 | 178.6 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | L109 L111 G129 L130 I131 H137 | L109-T133 HydrophobicContact CD2-CG2 4Å; L111-T133 HydrophobicContact CD2-CG2 4.09Å; G129-T133 WeakPolarHBondContact O-CB 3.42Å; G129-T133 PolarHBondContact O-N 3.49Å; G129-T133 PolarHBondContact O-OG1 3.41Å; L130-T133 WeakPolarHBondContact O-CA 3.11Å; L130-T133 VanDerWaalsContact O-CB 3.3Å; L130-T133 WeakPolarHBondContact O-CB 3.43Å; L130-T133 PolarHBondContact O-N 2.88Å; I131-T133 VanDerWaalsContact C-N 3.32Å; I131-T133 PolarHBondContact O-N 3.28Å; T133-H137 WeakPolarHBondContact O-CB 3.31Å; T133-H137 PolarHBondContact O-N 2.92Å; T133-H137 VanDerWaalsContact O-N 3.11Å |
| 134 | L | 93.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.6 | -44.6 | 172.7 | -64.2 | 175.9 | 0 | 0 | 0 | 112.3 | W42 L70 V71 L74 L103 L109 L130 I131 W132 H137 Y138 | W42-L134 HydrophobicContact CH2-CB 3.86Å; W42-L134 HydrophobicContact CZ3-CB 4.25Å; L70-L134 HydrophobicContact CD2-CD1 4.49Å; V71-L134 HydrophobicContact CG2-CD1 4.21Å; V71-L134 HydrophobicContact CG2-CD2 4.48Å; L74-L134 HydrophobicContact CD1-CB 4.3Å; L74-L134 HydrophobicContact CD1-CD1 4.3Å; L103-L134 HydrophobicContact CD1-CD2 3.95Å; L103-L134 HydrophobicContact CD2-CD2 3.63Å; L103-L134 HydrophobicContact CG-CD2 4.44Å; L109-L134 HydrophobicContact CD1-CD2 4.01Å; L130-L134 HydrophobicContact CD1-CD1 4.47Å; L130-L134 HydrophobicContact CD1-CG 4.33Å; L130-L134 HydrophobicContact CG-CD1 4.46Å; L130-L134 PolarHBondContact O-N 2.82Å; I131-L134 HydrophobicContact CD1-CD1 4.23Å; I131-L134 PolarHBondContact O-N 2.89Å; W132-L134 VanDerWaalsContact C-N 3.32Å; W132-L134 PolarHBondContact O-N 2.76Å; L134-H137 PolarHBondContact O-N 2.9Å; L134-Y138 HydrophobicContact CB-CD2 4.43Å; L134-Y138 HydrophobicContact CD2-CD2 4.19Å; L134-Y138 HydrophobicContact CD2-CE2 3.81Å; L134-Y138 WeakPolarHBondContact O-CB 3.43Å; L134-Y138 WeakPolarHBondContact O-CD2 3.37Å; L134-Y138 PolarHBondContact O-N 2.97Å |
| 135 | I | 94.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.3 | -53 | 174.4 | -70.8 | 157.9 | 0 | 0 | 0 | 110.6 | F39 W42 I131 W132 H137 S139 I140 T249 | F39-I135 HydrophobicContact CB-CD1 4.42Å; F39-I135 HydrophobicContact CD1-CD1 3.35Å; F39-I135 HydrophobicContact CD2-CD1 4.33Å; F39-I135 HydrophobicContact CE1-CD1 3.61Å; F39-I135 HydrophobicContact CG-CD1 3.77Å; F39-I135 HydrophobicContact CZ-CD1 4.21Å; W42-I135 HydrophobicContact CD2-CD1 4.05Å; W42-I135 HydrophobicContact CD2-CG1 3.37Å; W42-I135 VanDerWaalsContact CE2-CG1 3.42Å; W42-I135 HydrophobicContact CE3-CD1 4.13Å; W42-I135 HydrophobicContact CE3-CG1 3.62Å; W42-I135 HydrophobicContact CG-CD1 4.23Å; W42-I135 HydrophobicContact CG-CG1 3.87Å; W42-I135 HydrophobicContact CH2-CG1 3.95Å; W42-I135 HydrophobicContact CZ2-CB 4.33Å; W42-I135 HydrophobicContact CZ2-CG1 3.74Å; W42-I135 HydrophobicContact CZ3-CG1 3.9Å; I131-I135 HydrophobicContact CG2-CD1 3.95Å; I131-I135 WeakPolarHBondContact O-CD1 3.23Å; I131-I135 VanDerWaalsContact O-CG1 3.28Å; I131-I135 WeakPolarHBondContact O-CG1 3.46Å; I131-I135 PolarHBondContact O-N 2.84Å; W132-I135 HydrophobicContact CE3-CB 4.18Å; W132-I135 HydrophobicContact CE3-CD1 4.5Å; W132-I135 HydrophobicContact CE3-CG2 4.02Å; W132-I135 HydrophobicContact CZ3-CG2 3.86Å; W132-I135 PolarHBondContact O-N 3.31Å; I135-H137 PolarHBondContact O-N 3.08Å; I135-S139 WeakPolarHBondContact O-CA 3.36Å; I135-S139 VanDerWaalsContact O-CB 3.29Å; I135-S139 WeakPolarHBondContact O-CB 3.16Å; I135-S139 PolarHBondContact O-N 2.76Å; I135-I140 HydrophobicContact CG2-CD1 4.3Å; I135-I140 PolarHBondContact O-N 3.34Å; I135-T249 HydrophobicContact CD1-CG2 3.86Å; I135-T249 HydrophobicContact CG1-CG2 4.18Å; I135-T249 HydrophobicContact CG2-CG2 3.98Å |
| 136 | L | 91.2 | Very high | 87.6 | Confident | 50 Ų | 50 | 38.3 Ų | 38.3 | 26% | 0.262 | 20% | 0.203 | S | C | . | . | I | π-helix | trans | -55.9 | -40 | -178.3 | -173 | 68.6 | 0 | 0 | 0 | 111.5 | W132 I140 T141 P158 | W132-L136 HydrophobicContact CH2-CD1 4.38Å; W132-L136 HydrophobicContact CZ2-CD1 3.84Å; W132-L136 WeakPolarHBondContact O-CB 3.25Å; W132-L136 PolarHBondContact O-N 3.44Å; L136-I140 HydrophobicContact CD1-CD1 4.36Å; L136-I140 CarbonylContact O-C 3.55Å; L136-I140 WeakPolarHBondContact O-CB 3.34Å; L136-I140 PolarHBondContact O-N 3.5Å; L136-T141 WeakPolarHBondContact O-CB 3.29Å; L136-T141 PolarHBondContact O-N 2.89Å; L136-T141 PolarHBondContact O-OG1 2.91Å; L136-P158 HydrophobicContact CD1-CB 3.62Å; L136-P158 HydrophobicContact CD1-CG 4Å; L136-P158 HydrophobicContact CG-CB 4.4Å; L136-P158 HydrophobicContact CG-CG 4.35Å |
| 137 | H | 90.8 | Very high | 86.4 | Confident | 39 Ų | 39 | 39.2 Ų | 39.2 | 18% | 0.181 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -77.1 | -63.6 | 179.1 | -168.5 | 78.7 | 0 | 0 | 0 | 112 | L109 T133 L134 I135 T141 I142 | L109-H137 HydrophobicContact CD2-CB 3.6Å; L109-H137 VanDerWaalsContact CD2-CG 3.42Å; L109-H137 WeakPolarHBondContact CD2-ND1 3.22Å; T133-H137 WeakPolarHBondContact O-CB 3.31Å; T133-H137 PolarHBondContact O-N 2.92Å; T133-H137 VanDerWaalsContact O-N 3.11Å; L134-H137 PolarHBondContact O-N 2.9Å; I135-H137 PolarHBondContact O-N 3.08Å; H137-T141 CarbonylContact O-C 3.54Å; H137-T141 WeakPolarHBondContact O-CA 3.13Å; H137-T141 WeakPolarHBondContact O-CB 3.41Å; H137-T141 PolarHBondContact O-N 3Å; H137-I142 VanDerWaalsContact CD2-CD1 3.4Å; H137-I142 WeakPolarHBondContact CD2-CD1 3.47Å; H137-I142 WeakPolarHBondContact NE2-CD1 3.21Å; H137-I142 PolarHBondContact O-N 3.36Å |
| 138 | Y | 91.3 | Very high | 85 | Confident | 22 Ų | 22 | 42 Ų | 42 | 9% | 0.086 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -77.4 | -25.5 | -170.1 | -70.5 | -81.3 | 0 | 0 | 0 | 114.7 | L74 E107 L109 L134 I142 P143 | L74-Y138 VanDerWaalsContact C-CE1 3.42Å; L74-Y138 HydrophobicContact CB-CD1 3.8Å; L74-Y138 HydrophobicContact CB-CD2 3.93Å; L74-Y138 HydrophobicContact CB-CE1 3.79Å; L74-Y138 HydrophobicContact CB-CE2 3.94Å; L74-Y138 HydrophobicContact CB-CG 3.86Å; L74-Y138 HydrophobicContact CD1-CD2 4.04Å; L74-Y138 HydrophobicContact CD1-CE2 4.29Å; L74-Y138 HydrophobicContact CD2-CD2 4.39Å; L74-Y138 HydrophobicContact CD2-CG 4.08Å; L74-Y138 HydrophobicContact CG-CD2 4.35Å; L74-Y138 HydrophobicContact CG-CG 4.38Å; L74-Y138 WeakPolarHBondContact O-CD1 3.46Å; L74-Y138 VanDerWaalsContact O-CE1 3.25Å; L74-Y138 WeakPolarHBondContact O-CE1 3.3Å; E107-Y138 WeakPolarHBondContact CG-OH 3.33Å; E107-Y138 PolarHBondContact OE2-OH 3.12Å; L109-Y138 HydrophobicContact CD1-CE2 4.23Å; L134-Y138 HydrophobicContact CB-CD2 4.43Å; L134-Y138 HydrophobicContact CD2-CD2 4.19Å; L134-Y138 HydrophobicContact CD2-CE2 3.81Å; L134-Y138 WeakPolarHBondContact O-CB 3.43Å; L134-Y138 WeakPolarHBondContact O-CD2 3.37Å; L134-Y138 PolarHBondContact O-N 2.97Å; Y138-I142 HydrophobicContact CD1-CD1 3.73Å; Y138-I142 HydrophobicContact CE1-CD1 3.96Å; Y138-I142 HydrophobicContact CG-CD1 4.36Å; Y138-P143 WeakPolarHBondContact O-CD 3.48Å; Y138-P143 WeakPolarHBondContact O-CG 3.34Å |
| 139 | S | 90.4 | Very high | 83.3 | Confident | 15 Ų | 15 | 44.3 Ų | 44.3 | 11% | 0.105 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -103.6 | -25.3 | 179.2 | -52.7 | 0 | 0 | 0 | 0 | 113.8 | W42 I135 | W42-S139 PolarHBondContact NE1-OG 2.91Å; I135-S139 WeakPolarHBondContact O-CA 3.36Å; I135-S139 VanDerWaalsContact O-CB 3.29Å; I135-S139 WeakPolarHBondContact O-CB 3.16Å; I135-S139 PolarHBondContact O-N 2.76Å |
| 140 | I | 89.2 | Confident | 81.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -117.2 | -25.2 | -173.1 | -38.4 | -172.3 | 0 | 0 | 0 | 113.7 | W132 I135 L136 W145 P158 R161 L162 M248 | W132-I140 HydrophobicContact CH2-CD1 4.07Å; W132-I140 HydrophobicContact CZ3-CD1 4.39Å; I135-I140 HydrophobicContact CG2-CD1 4.3Å; I135-I140 PolarHBondContact O-N 3.34Å; L136-I140 HydrophobicContact CD1-CD1 4.36Å; L136-I140 CarbonylContact O-C 3.55Å; L136-I140 WeakPolarHBondContact O-CB 3.34Å; L136-I140 PolarHBondContact O-N 3.5Å; I140-W145 HydrophobicContact CG2-CH2 3.88Å; I140-W145 HydrophobicContact CG2-CZ2 4.23Å; I140-P158 HydrophobicContact CB-CB 4.25Å; I140-P158 HydrophobicContact CG2-CB 3.73Å; I140-P158 WeakPolarHBondContact CG2-O 3.38Å; I140-R161 PolarHBondContact O-NH1 2.9Å; I140-L162 HydrophobicContact CG2-CB 4.3Å; I140-M248 HydrophobicContact CD1-CB 4.15Å; I140-M248 HydrophobicContact CD1-CE 3.71Å; I140-M248 HydrophobicContact CG2-CE 4.47Å |
| 141 | T | 86.7 | Confident | 79.8 | Confident | 67 Ų | 67 | 54.9 Ų | 54.9 | 41% | 0.411 | 30% | 0.296 | S | S | . | . | I | π-helix | trans | -106.9 | -50.5 | -174.9 | -52 | 0 | 0 | 0 | 0 | 113 | L136 H137 P158 R161 | L136-T141 WeakPolarHBondContact O-CB 3.29Å; L136-T141 PolarHBondContact O-N 2.89Å; L136-T141 PolarHBondContact O-OG1 2.91Å; H137-T141 CarbonylContact O-C 3.54Å; H137-T141 WeakPolarHBondContact O-CA 3.13Å; H137-T141 WeakPolarHBondContact O-CB 3.41Å; H137-T141 PolarHBondContact O-N 3Å; T141-P158 WeakPolarHBondContact OG1-CG 3.35Å; T141-R161 PolarHBondContact O-NH1 2.91Å |
| 142 | I | 83.8 | Confident | 77.6 | Confident | 87 Ų | 87 | 57.5 Ų | 57.5 | 45% | 0.446 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -66.9 | -45.8 | -179 | -72 | 171.2 | 0 | 0 | 0 | 113.7 | H137 Y138 L144 | H137-I142 VanDerWaalsContact CD2-CD1 3.4Å; H137-I142 WeakPolarHBondContact CD2-CD1 3.47Å; H137-I142 WeakPolarHBondContact NE2-CD1 3.21Å; H137-I142 PolarHBondContact O-N 3.36Å; Y138-I142 HydrophobicContact CD1-CD1 3.73Å; Y138-I142 HydrophobicContact CE1-CD1 3.96Å; Y138-I142 HydrophobicContact CG-CD1 4.36Å; I142-L144 PolarHBondContact O-N 3.09Å |
| 143 | P | 78 | Confident | 75.3 | Confident | 30 Ų | 30 | 61.3 Ų | 61.3 | 20% | 0.195 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -64.5 | 134.5 | -170.8 | -24.6 | 35.8 | 0 | 0 | 0 | 112 | Y138 R161 | Y138-P143 WeakPolarHBondContact O-CD 3.48Å; Y138-P143 WeakPolarHBondContact O-CG 3.34Å; P143-R161 PolarHBondContact O-NH1 2.99Å; P143-R161 VanDerWaalsContact O-NH1 3.08Å; P143-R161 PolarHBondContact O-NH2 3.07Å |
| 144 | L | 73.5 | Confident | 73.2 | Confident | 169 Ų | 169 | 69.1 Ų | 69.1 | 89% | 0.885 | 40% | 0.395 | S | S | * | . | trans | -77.1 | 131.1 | 163.4 | -88.5 | 92 | 0 | 0 | 0 | 108.9 | I142 | I142-L144 PolarHBondContact O-N 3.09Š| ||
| 145 | W | 78 | Confident | 71.4 | Confident | 13 Ų | 13 | 71.5 Ų | 71.5 | 5% | 0.049 | 42% | 0.42 | C | S | . | . | trans | -108.5 | 139.8 | 179.8 | -62 | -22.5 | 0 | 0 | 0 | 110.8 | I140 G147 E148 R161 L162 W165 P255 | I140-W145 HydrophobicContact CG2-CH2 3.88Å; I140-W145 HydrophobicContact CG2-CZ2 4.23Å; W145-G147 PolarHBondContact O-N 2.94Å; W145-E148 HydrophobicContact CB-CG 3.99Å; W145-E148 HydrophobicContact CE3-CG 4.41Å; W145-R161 HydrophobicContact CE3-CG 4.24Å; W145-R161 HydrophobicContact CH2-CG 4.44Å; W145-R161 HydrophobicContact CZ3-CB 4.34Å; W145-R161 HydrophobicContact CZ3-CG 3.72Å; W145-L162 HydrophobicContact CH2-CB 3.84Å; W145-L162 HydrophobicContact CH2-CD1 3.69Å; W145-L162 HydrophobicContact CH2-CG 4.32Å; W145-L162 HydrophobicContact CZ2-CD1 4.28Å; W145-L162 HydrophobicContact CZ3-CB 4.21Å; W145-L162 HydrophobicContact CZ3-CD1 4.16Å; W145-W165 HydrophobicContact CE3-CB 4.13Å; W145-W165 HydrophobicContact CE3-CG 4.25Å; W145-W165 HydrophobicContact CZ3-CB 4.27Å; W145-P255 HydrophobicContact CB-CB 3.91Å; W145-P255 HydrophobicContact CD2-CB 3.58Å; W145-P255 HydrophobicContact CD2-CG 3.76Å; W145-P255 HydrophobicContact CE3-CB 4.38Å; W145-P255 HydrophobicContact CE3-CG 4.19Å; W145-P255 HydrophobicContact CG-CB 3.33Å; W145-P255 HydrophobicContact CG-CG 4.08Å; W145-P255 HydrophobicContact CH2-CG 4.47Å; W145-P255 HydrophobicContact CZ2-CB 4.49Å; W145-P255 HydrophobicContact CZ2-CG 4.05Å | ||
| 146 | E | 64.8 | Low | 70.3 | Confident | 176 Ų | 176 | 73.3 Ų | 73.3 | 82% | 0.822 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | 125.9 | 175.3 | -65.8 | -169.1 | 172.6 | 0 | 0 | 110.6 | W165 | E146-W165 PolarHBondContact O-NE1 2.98Š|
| 147 | G | 62 | Low | 69.7 | Low | 51 Ų | 51 | 74.5 Ų | 74.5 | 53% | 0.526 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | 18.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | W145 N168 | W145-G147 PolarHBondContact O-N 2.94Å; G147-N168 PolarHBondContact O-ND2 3.07Å |
| 148 | E | 62.2 | Low | 69.3 | Low | 60 Ų | 60 | 74.3 Ų | 74.3 | 28% | 0.28 | 44% | 0.444 | S | S | . | . | trans | -75.8 | 145.3 | 172.5 | -66.3 | -165.2 | 99.4 | 0 | 0 | 113.7 | W145 R161 | W145-E148 HydrophobicContact CB-CG 3.99Å; W145-E148 HydrophobicContact CE3-CG 4.41Å; E148-R161 WeakPolarHBondContact OE1-CG 3.31Å; E148-R161 IonicContact OE1-CZ 3.3Å; E148-R161 IonicContact OE1-NE 3.51Å; E148-R161 PolarHBondContact OE1-NE 2.88Å; E148-R161 IonicContact OE1-NH2 2.89Å; E148-R161 IonicContact OE2-CZ 2.69Å; E148-R161 IonicContact OE2-NE 3.62Å; E148-R161 PolarHBondContact OE2-NE 3.43Å; E148-R161 IonicContact OE2-NH2 2.82Å; E148-R161 PolarHBondContact OE2-NH2 3.48Å | ||
| 149 | P | 54.6 | Low | 69.1 | Low | 66 Ų | 66 | 76.9 Ų | 76.9 | 43% | 0.429 | 46% | 0.455 | S | S | . | . | trans | -65.7 | 147.7 | 159.8 | -16.3 | 30.8 | 0 | 0 | 0 | 111.7 | F151 | P149-F151 HydrophobicContact CB-CD2 4.43Å; P149-F151 HydrophobicContact CB-CE1 4.18Å; P149-F151 HydrophobicContact CB-CE2 3.93Å; P149-F151 HydrophobicContact CB-CZ 3.8Å; P149-F151 HydrophobicContact CG-CE1 4.45Å; P149-F151 HydrophobicContact CG-CE2 4.03Å; P149-F151 HydrophobicContact CG-CZ 3.74Å; P149-F151 WeakPolarHBondContact O-CD2 3.47Å; P149-F151 WeakPolarHBondContact O-CE2 3.45Å; P149-F151 PolarHBondContact O-N 2.77Å | ||
| 150 | D | 55.3 | Low | 68.8 | Low | 162 Ų | 162 | 81.1 Ų | 81.1 | 87% | 0.866 | 47% | 0.474 | S | S | * | . | trans | -81.8 | 113.4 | 171.3 | -169.2 | -7.3 | 0 | 0 | 0 | 109.9 | G152 | D150-G152 PolarHBondContact OD1-N 2.98Š| ||
| 151 | F | 54.4 | Low | 68.7 | Low | 87 Ų | 87 | 82.8 Ų | 82.8 | 38% | 0.382 | 48% | 0.48 | S | S | . | . | trans | -99.3 | -7 | -169.7 | -71 | -74.3 | 0 | 0 | 0 | 114.8 | P149 P156 | P149-F151 HydrophobicContact CB-CD2 4.43Å; P149-F151 HydrophobicContact CB-CE1 4.18Å; P149-F151 HydrophobicContact CB-CE2 3.93Å; P149-F151 HydrophobicContact CB-CZ 3.8Å; P149-F151 HydrophobicContact CG-CE1 4.45Å; P149-F151 HydrophobicContact CG-CE2 4.03Å; P149-F151 HydrophobicContact CG-CZ 3.74Å; P149-F151 WeakPolarHBondContact O-CD2 3.47Å; P149-F151 WeakPolarHBondContact O-CE2 3.45Å; P149-F151 PolarHBondContact O-N 2.77Å; F151-P156 VanDerWaalsContact CB-CD 3.49Å; F151-P156 HydrophobicContact CB-CG 4.46Å; F151-P156 HydrophobicContact CD1-CG 4.12Å; F151-P156 HydrophobicContact CD2-CG 3.68Å; F151-P156 HydrophobicContact CE1-CG 4.22Å; F151-P156 HydrophobicContact CE2-CG 3.79Å; F151-P156 HydrophobicContact CG-CG 3.85Å; F151-P156 HydrophobicContact CZ-CG 4.06Å | ||
| 152 | G | 49.8 | Very low | 68.9 | Low | 55 Ų | 55 | 79.6 Ų | 79.6 | 57% | 0.567 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | -159.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | D150 Q154 | D150-G152 PolarHBondContact OD1-N 2.98Å; G152-Q154 VanDerWaalsContact C-N 3.29Å; G152-Q154 PolarHBondContact O-N 2.8Å |
| 153 | A | 44.7 | Very low | 69.1 | Low | 112 Ų | 112 | 77.1 Ų | 77.1 | 93% | 0.926 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -4.3 | -163.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 154 | Q | 48.7 | Very low | 69.5 | Low | 190 Ų | 190 | 77.8 Ų | 77.8 | 89% | 0.888 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -124 | 71.4 | 168.2 | -75.3 | -172.2 | -19.5 | 0 | 0 | 108.5 | G152 | G152-Q154 VanDerWaalsContact C-N 3.29Å; G152-Q154 PolarHBondContact O-N 2.8Å |
| 155 | G | 56.5 | Low | 70.3 | Confident | 50 Ų | 50 | 70.3 Ų | 70.3 | 52% | 0.515 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 151.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 156 | P | 70.8 | Confident | 70.9 | Confident | 39 Ų | 39 | 69.7 Ų | 69.7 | 25% | 0.253 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 150.8 | 176.6 | 26.8 | -35.5 | 0 | 0 | 0 | 111.5 | F151 Q160 R161 | F151-P156 VanDerWaalsContact CB-CD 3.49Å; F151-P156 HydrophobicContact CB-CG 4.46Å; F151-P156 HydrophobicContact CD1-CG 4.12Å; F151-P156 HydrophobicContact CD2-CG 3.68Å; F151-P156 HydrophobicContact CE1-CG 4.22Å; F151-P156 HydrophobicContact CE2-CG 3.79Å; F151-P156 HydrophobicContact CG-CG 3.85Å; F151-P156 HydrophobicContact CZ-CG 4.06Å; P156-Q160 HydrophobicContact CB-CB 3.74Å; P156-R161 HydrophobicContact CG-CB 4.39Å |
| 157 | T | 78.2 | Confident | 72.1 | Confident | 74 Ų | 74 | 63.3 Ų | 63.3 | 45% | 0.454 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -57 | 152.6 | 172 | 60.2 | 0 | 0 | 0 | 0 | 110.6 | K159 Q160 R161 | T157-K159 CarbonylContact O-C 3.52Å; T157-K159 PolarHBondContact O-N 3.31Å; T157-Q160 CarbonylContact O-C 3.53Å; T157-Q160 WeakPolarHBondContact O-CA 3.19Å; T157-Q160 WeakPolarHBondContact O-CB 3.35Å; T157-Q160 PolarHBondContact O-N 2.8Å; T157-Q160 VanDerWaalsContact OG1-CD 3.24Å; T157-Q160 WeakPolarHBondContact OG1-CG 3.31Å; T157-Q160 PolarHBondContact OG1-N 3.29Å; T157-Q160 PolarHBondContact OG1-OE1 2.89Å; T157-R161 PolarHBondContact O-N 3.5Å |
| 158 | P | 81.4 | Confident | 73.3 | Confident | 36 Ų | 36 | 66 Ų | 66 | 23% | 0.234 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -56.2 | -29.8 | -178.2 | -26.3 | 34.2 | 0 | 0 | 0 | 114 | L136 I140 T141 L162 | L136-P158 HydrophobicContact CD1-CB 3.62Å; L136-P158 HydrophobicContact CD1-CG 4Å; L136-P158 HydrophobicContact CG-CB 4.4Å; L136-P158 HydrophobicContact CG-CG 4.35Å; I140-P158 HydrophobicContact CB-CB 4.25Å; I140-P158 HydrophobicContact CG2-CB 3.73Å; I140-P158 WeakPolarHBondContact CG2-O 3.38Å; T141-P158 WeakPolarHBondContact OG1-CG 3.35Å; P158-L162 PolarHBondContact O-N 2.97Å; P158-L162 VanDerWaalsContact O-N 3.08Å |
| 159 | K | 87 | Confident | 74.4 | Confident | 75 Ų | 75 | 66.9 Ų | 66.9 | 33% | 0.326 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.4 | -53.7 | 169.2 | -175.7 | -178.6 | 176.9 | 174.3 | 0 | 112 | T157 R161 L162 L163 F178 E244 M248 | T157-K159 CarbonylContact O-C 3.52Å; T157-K159 PolarHBondContact O-N 3.31Å; K159-R161 VanDerWaalsContact C-N 3.3Å; K159-R161 PolarHBondContact O-N 3.42Å; K159-L162 PolarHBondContact O-N 3.47Å; K159-L163 WeakPolarHBondContact O-CB 3.37Å; K159-L163 PolarHBondContact O-N 3.16Å; K159-F178 HydrophobicContact CG-CD2 4.08Å; K159-F178 HydrophobicContact CG-CE2 3.72Å; K159-E244 VanDerWaalsContact CE-OE1 3.23Å; K159-E244 WeakPolarHBondContact CE-OE1 3.32Å; K159-E244 WeakPolarHBondContact CE-OE2 3.5Å; K159-E244 IonicContact NZ-OE1 2.79Å; K159-E244 PolarHBondContact NZ-OE1 2.92Å; K159-E244 IonicContact NZ-OE2 2.72Å; K159-E244 PolarHBondContact NZ-OE2 2.71Å; K159-M248 HydrophobicContact CB-CE 3.93Å; K159-M248 HydrophobicContact CB-SD 4.13Å; K159-M248 HydrophobicContact CG-CE 4.35Å; K159-M248 HydrophobicContact CG-SD 3.93Å |
| 160 | Q | 85.1 | Confident | 76.1 | Confident | 105 Ų | 105 | 64 Ų | 64 | 49% | 0.491 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.3 | -32.7 | 177.3 | -71.9 | 161.9 | -38.1 | 0 | 0 | 112.4 | P156 T157 S164 | P156-Q160 HydrophobicContact CB-CB 3.74Å; T157-Q160 CarbonylContact O-C 3.53Å; T157-Q160 WeakPolarHBondContact O-CA 3.19Å; T157-Q160 WeakPolarHBondContact O-CB 3.35Å; T157-Q160 PolarHBondContact O-N 2.8Å; T157-Q160 VanDerWaalsContact OG1-CD 3.24Å; T157-Q160 WeakPolarHBondContact OG1-CG 3.31Å; T157-Q160 PolarHBondContact OG1-N 3.29Å; T157-Q160 PolarHBondContact OG1-OE1 2.89Å; Q160-S164 VanDerWaalsContact O-CB 3.23Å; Q160-S164 WeakPolarHBondContact O-CB 3.41Å; Q160-S164 PolarHBondContact O-N 2.95Å; Q160-S164 PolarHBondContact O-OG 3Å |
| 161 | R | 86.9 | Confident | 77.1 | Confident | 35 Ų | 35 | 60 Ų | 60 | 13% | 0.132 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.6 | -56.7 | 174.1 | -167.3 | -163.9 | -180 | -164.2 | 2.6 | 110.9 | I140 T141 P143 W145 E148 P156 T157 K159 L163 S164 W165 | I140-R161 PolarHBondContact O-NH1 2.9Å; T141-R161 PolarHBondContact O-NH1 2.91Å; P143-R161 PolarHBondContact O-NH1 2.99Å; P143-R161 VanDerWaalsContact O-NH1 3.08Å; P143-R161 PolarHBondContact O-NH2 3.07Å; W145-R161 HydrophobicContact CE3-CG 4.24Å; W145-R161 HydrophobicContact CH2-CG 4.44Å; W145-R161 HydrophobicContact CZ3-CB 4.34Å; W145-R161 HydrophobicContact CZ3-CG 3.72Å; E148-R161 WeakPolarHBondContact OE1-CG 3.31Å; E148-R161 IonicContact OE1-CZ 3.3Å; E148-R161 IonicContact OE1-NE 3.51Å; E148-R161 PolarHBondContact OE1-NE 2.88Å; E148-R161 IonicContact OE1-NH2 2.89Å; E148-R161 IonicContact OE2-CZ 2.69Å; E148-R161 IonicContact OE2-NE 3.62Å; E148-R161 PolarHBondContact OE2-NE 3.43Å; E148-R161 IonicContact OE2-NH2 2.82Å; E148-R161 PolarHBondContact OE2-NH2 3.48Å; P156-R161 HydrophobicContact CG-CB 4.39Å; T157-R161 PolarHBondContact O-N 3.5Å; K159-R161 VanDerWaalsContact C-N 3.3Å; K159-R161 PolarHBondContact O-N 3.42Å; R161-L163 VanDerWaalsContact C-N 3.35Å; R161-L163 PolarHBondContact O-N 2.99Å; R161-S164 PolarHBondContact O-N 3.22Å; R161-W165 PolarHBondContact O-N 2.68Å |
| 162 | L | 90.6 | Very high | 78.2 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 178.3 | -174.8 | 57.2 | 0 | 0 | 0 | 111.7 | I140 W145 P158 K159 S164 W165 L166 F178 M248 L251 P255 | I140-L162 HydrophobicContact CG2-CB 4.3Å; W145-L162 HydrophobicContact CH2-CB 3.84Å; W145-L162 HydrophobicContact CH2-CD1 3.69Å; W145-L162 HydrophobicContact CH2-CG 4.32Å; W145-L162 HydrophobicContact CZ2-CD1 4.28Å; W145-L162 HydrophobicContact CZ3-CB 4.21Å; W145-L162 HydrophobicContact CZ3-CD1 4.16Å; P158-L162 PolarHBondContact O-N 2.97Å; P158-L162 VanDerWaalsContact O-N 3.08Å; K159-L162 PolarHBondContact O-N 3.47Å; L162-S164 VanDerWaalsContact C-N 3.31Å; L162-S164 PolarHBondContact O-N 3.48Å; L162-W165 PolarHBondContact O-N 3.46Å; L162-L166 HydrophobicContact CD1-CD1 4.19Å; L162-L166 HydrophobicContact CD1-CG 4.29Å; L162-L166 HydrophobicContact CG-CD1 3.93Å; L162-L166 HydrophobicContact CG-CG 4.46Å; L162-L166 WeakPolarHBondContact O-CB 3.28Å; L162-L166 VanDerWaalsContact O-CG 3.25Å; L162-L166 WeakPolarHBondContact O-CG 3.41Å; L162-L166 PolarHBondContact O-N 2.91Å; L162-F178 HydrophobicContact CB-CZ 3.94Å; L162-F178 HydrophobicContact CD2-CE1 3.75Å; L162-F178 HydrophobicContact CD2-CZ 3.81Å; L162-F178 HydrophobicContact CG-CE1 3.92Å; L162-F178 HydrophobicContact CG-CZ 3.76Å; L162-M248 HydrophobicContact CD2-CB 4.16Å; L162-M248 HydrophobicContact CD2-CG 4.15Å; L162-L251 HydrophobicContact CD2-CB 4.33Å; L162-P255 HydrophobicContact CD1-CG 4.21Å |
| 163 | L | 89.6 | Confident | 79.9 | Confident | 34 Ų | 34 | 61.8 Ų | 61.8 | 18% | 0.178 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.2 | -30.1 | -179.4 | -159.6 | 148.8 | 0 | 0 | 0 | 112.1 | K159 R161 N167 F178 | K159-L163 WeakPolarHBondContact O-CB 3.37Å; K159-L163 PolarHBondContact O-N 3.16Å; R161-L163 VanDerWaalsContact C-N 3.35Å; R161-L163 PolarHBondContact O-N 2.99Å; L163-N167 WeakPolarHBondContact CD2-ND2 3.34Å; L163-N167 WeakPolarHBondContact O-CB 3.47Å; L163-N167 PolarHBondContact O-N 3.01Å; L163-N167 VanDerWaalsContact O-N 3.12Å; L163-N167 PolarHBondContact O-ND2 3.42Å; L163-F178 HydrophobicContact CB-CE2 3.9Å; L163-F178 HydrophobicContact CB-CZ 3.85Å; L163-F178 HydrophobicContact CD1-CD2 4.17Å; L163-F178 HydrophobicContact CD1-CE2 3.7Å; L163-F178 HydrophobicContact CD1-CZ 4.26Å; L163-F178 HydrophobicContact CG-CE2 4.25Å; L163-F178 HydrophobicContact CG-CZ 4.35Å |
| 164 | S | 85.2 | Confident | 81.7 | Confident | 45 Ų | 45 | 60.6 Ų | 60.6 | 32% | 0.315 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70.4 | -46.7 | 170.8 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | Q160 R161 L162 L166 N167 N168 | Q160-S164 VanDerWaalsContact O-CB 3.23Å; Q160-S164 WeakPolarHBondContact O-CB 3.41Å; Q160-S164 PolarHBondContact O-N 2.95Å; Q160-S164 PolarHBondContact O-OG 3Å; R161-S164 PolarHBondContact O-N 3.22Å; L162-S164 VanDerWaalsContact C-N 3.31Å; L162-S164 PolarHBondContact O-N 3.48Å; S164-L166 VanDerWaalsContact C-N 3.35Å; S164-L166 PolarHBondContact O-N 3.28Å; S164-N167 PolarHBondContact O-N 3.15Å; S164-N168 WeakPolarHBondContact O-CB 3.44Å; S164-N168 PolarHBondContact O-N 3.47Å |
| 165 | W | 89.8 | Confident | 83.7 | Confident | 12 Ų | 12 | 51.8 Ų | 51.8 | 5% | 0.045 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 177.7 | -173.6 | 93.6 | 0 | 0 | 0 | 111.6 | W145 E146 R161 L162 N168 K169 L191 F254 P255 | W145-W165 HydrophobicContact CE3-CB 4.13Å; W145-W165 HydrophobicContact CE3-CG 4.25Å; W145-W165 HydrophobicContact CZ3-CB 4.27Å; E146-W165 PolarHBondContact O-NE1 2.98Å; R161-W165 PolarHBondContact O-N 2.68Å; L162-W165 PolarHBondContact O-N 3.46Å; W165-N168 WeakPolarHBondContact O-CB 3.18Å; W165-N168 PolarHBondContact O-N 2.84Å; W165-K169 HydrophobicContact CD2-CG 4.31Å; W165-K169 HydrophobicContact CE3-CG 4.12Å; W165-K169 HydrophobicContact CH2-CD 4.32Å; W165-K169 HydrophobicContact CH2-CG 3.81Å; W165-K169 HydrophobicContact CZ2-CD 4.3Å; W165-K169 HydrophobicContact CZ2-CG 3.97Å; W165-K169 HydrophobicContact CZ3-CG 3.88Å; W165-K169 PolarHBondContact O-N 3.08Å; W165-K169 VanDerWaalsContact O-N 3.08Å; W165-L191 HydrophobicContact CZ3-CD1 4.17Å; W165-F254 HydrophobicContact CH2-CB 4.08Å; W165-F254 HydrophobicContact CZ3-CB 3.91Å; W165-P255 HydrophobicContact CD2-CB 4.29Å; W165-P255 HydrophobicContact CD2-CG 3.79Å; W165-P255 HydrophobicContact CE3-CG 3.73Å; W165-P255 HydrophobicContact CG-CG 4.38Å; W165-P255 HydrophobicContact CH2-CB 4.4Å; W165-P255 HydrophobicContact CH2-CG 4.15Å; W165-P255 HydrophobicContact CZ2-CB 4.11Å; W165-P255 HydrophobicContact CZ2-CG 4.21Å; W165-P255 HydrophobicContact CZ3-CG 3.9Å |
| 166 | L | 91.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 176.7 | -70.4 | 169.4 | 0 | 0 | 0 | 112.1 | L162 S164 N168 K169 L170 V175 F178 W182 L191 L251 | L162-L166 HydrophobicContact CD1-CD1 4.19Å; L162-L166 HydrophobicContact CD1-CG 4.29Å; L162-L166 HydrophobicContact CG-CD1 3.93Å; L162-L166 HydrophobicContact CG-CG 4.46Å; L162-L166 WeakPolarHBondContact O-CB 3.28Å; L162-L166 VanDerWaalsContact O-CG 3.25Å; L162-L166 WeakPolarHBondContact O-CG 3.41Å; L162-L166 PolarHBondContact O-N 2.91Å; S164-L166 VanDerWaalsContact C-N 3.35Å; S164-L166 PolarHBondContact O-N 3.28Å; L166-N168 VanDerWaalsContact C-N 3.32Å; L166-N168 PolarHBondContact O-N 3.36Å; L166-K169 CarbonylContact O-C 3.07Å; L166-K169 WeakPolarHBondContact O-CB 3.02Å; L166-K169 PolarHBondContact O-N 2.86Å; L166-L170 WeakPolarHBondContact O-CB 3.49Å; L166-L170 VanDerWaalsContact O-CG 3.31Å; L166-L170 WeakPolarHBondContact O-CG 3.21Å; L166-L170 PolarHBondContact O-N 3.37Å; L166-V175 HydrophobicContact CB-CG2 4.25Å; L166-F178 HydrophobicContact CD1-CE1 3.54Å; L166-F178 HydrophobicContact CD1-CZ 4.12Å; L166-W182 HydrophobicContact CD1-CH2 4.21Å; L166-W182 HydrophobicContact CD1-CZ2 4.01Å; L166-W182 HydrophobicContact CD2-CH2 4.26Å; L166-L191 HydrophobicContact CD2-CD1 3.65Å; L166-L191 HydrophobicContact CD2-CD2 3.55Å; L166-L191 HydrophobicContact CD2-CG 4.27Å; L166-L251 HydrophobicContact CD1-CB 4.24Å; L166-L251 HydrophobicContact CD1-CD1 4.07Å; L166-L251 HydrophobicContact CD2-CD2 4.45Å |
| 167 | N | 89.8 | Confident | 86.1 | Confident | 41 Ų | 41 | 57.4 Ų | 57.4 | 22% | 0.219 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.1 | -31.1 | 174.5 | -81.2 | -57.2 | 0 | 0 | 0 | 113.5 | L163 S164 K169 L170 A171 P174 V175 | L163-N167 WeakPolarHBondContact CD2-ND2 3.34Å; L163-N167 WeakPolarHBondContact O-CB 3.47Å; L163-N167 PolarHBondContact O-N 3.01Å; L163-N167 VanDerWaalsContact O-N 3.12Å; L163-N167 PolarHBondContact O-ND2 3.42Å; S164-N167 PolarHBondContact O-N 3.15Å; N167-K169 PolarHBondContact O-N 2.8Å; N167-L170 CarbonylContact O-C 3.6Å; N167-L170 PolarHBondContact O-N 3.41Å; N167-A171 PolarHBondContact O-N 3.32Å; N167-P174 WeakPolarHBondContact OD1-CA 3.36Å; N167-P174 WeakPolarHBondContact OD1-CB 3.21Å; N167-V175 PolarHBondContact ND2-O 3.25Å; N167-V175 PolarHBondContact OD1-N 2.86Å; N167-V175 PolarHBondContact OD1-O 3.49Å |
| 168 | N | 86.4 | Confident | 86.9 | Confident | 107 Ų | 107 | 54 Ų | 54 | 57% | 0.572 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -68 | -25.7 | 174.2 | -153.8 | 21.4 | 0 | 0 | 0 | 111.9 | G147 S164 W165 L166 | G147-N168 PolarHBondContact O-ND2 3.07Å; S164-N168 WeakPolarHBondContact O-CB 3.44Å; S164-N168 PolarHBondContact O-N 3.47Å; W165-N168 WeakPolarHBondContact O-CB 3.18Å; W165-N168 PolarHBondContact O-N 2.84Å; L166-N168 VanDerWaalsContact C-N 3.32Å; L166-N168 PolarHBondContact O-N 3.36Å |
| 169 | K | 86.9 | Confident | 87.3 | Confident | 79 Ų | 79 | 53.7 Ų | 53.7 | 34% | 0.343 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -83.6 | -39.3 | 168.8 | -71.8 | -69 | -165.1 | 164.8 | 0 | 113.2 | W165 L166 N167 A171 L191 A194 | W165-K169 HydrophobicContact CD2-CG 4.31Å; W165-K169 HydrophobicContact CE3-CG 4.12Å; W165-K169 HydrophobicContact CH2-CD 4.32Å; W165-K169 HydrophobicContact CH2-CG 3.81Å; W165-K169 HydrophobicContact CZ2-CD 4.3Å; W165-K169 HydrophobicContact CZ2-CG 3.97Å; W165-K169 HydrophobicContact CZ3-CG 3.88Å; W165-K169 PolarHBondContact O-N 3.08Å; W165-K169 VanDerWaalsContact O-N 3.08Å; L166-K169 CarbonylContact O-C 3.07Å; L166-K169 WeakPolarHBondContact O-CB 3.02Å; L166-K169 PolarHBondContact O-N 2.86Å; N167-K169 PolarHBondContact O-N 2.8Å; K169-A171 PolarHBondContact O-N 3.12Å; K169-L191 HydrophobicContact CB-CD1 4.08Å; K169-L191 HydrophobicContact CG-CD1 4.5Å; K169-A194 HydrophobicContact CB-CB 4.2Å; K169-A194 HydrophobicContact CD-CB 4.48Å; K169-A194 PolarHBondContact NZ-O 2.89Å; K169-A194 WeakPolarHBondContact O-CB 3Å |
| 170 | L | 88.8 | Confident | 87.3 | Confident | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | trans | -99.6 | 39.5 | -170.8 | -64.7 | 175.2 | 0 | 0 | 0 | 113.2 | L166 N167 D172 R173 V175 W182 A190 L191 | L166-L170 WeakPolarHBondContact O-CB 3.49Å; L166-L170 VanDerWaalsContact O-CG 3.31Å; L166-L170 WeakPolarHBondContact O-CG 3.21Å; L166-L170 PolarHBondContact O-N 3.37Å; N167-L170 CarbonylContact O-C 3.6Å; N167-L170 PolarHBondContact O-N 3.41Å; L170-D172 PolarHBondContact O-N 2.85Å; L170-D172 VanDerWaalsContact O-N 3.09Å; L170-R173 CarbonylContact O-C 3.59Å; L170-R173 PolarHBondContact O-N 2.97Å; L170-V175 HydrophobicContact CD1-CG1 4.01Å; L170-V175 HydrophobicContact CD1-CG2 4.13Å; L170-W182 HydrophobicContact CD1-CH2 3.88Å; L170-W182 HydrophobicContact CD1-CZ3 4.48Å; L170-A190 HydrophobicContact CD2-CB 3.61Å; L170-L191 HydrophobicContact CD2-CB 4.09Å; L170-L191 HydrophobicContact CD2-CD1 4.49Å; L170-L191 HydrophobicContact CG-CD1 4.34Å | ||
| 171 | A | 77.3 | Confident | 87.6 | Confident | 79 Ų | 79 | 51 Ų | 51 | 65% | 0.653 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -32.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | N167 K169 | N167-A171 PolarHBondContact O-N 3.32Å; K169-A171 PolarHBondContact O-N 3.12Å |
| 172 | D | 77.9 | Confident | 88 | Confident | 115 Ų | 115 | 49.3 Ų | 49.3 | 62% | 0.615 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -16.5 | 176.5 | -76.5 | -5.8 | 0 | 0 | 0 | 114 | L170 W203 R204 | L170-D172 PolarHBondContact O-N 2.85Å; L170-D172 VanDerWaalsContact O-N 3.09Å; D172-W203 HydrophobicContact CB-CH2 4Å; D172-W203 HydrophobicContact CB-CZ2 4.32Å; D172-R204 IonicContact OD2-CZ 3.07Å; D172-R204 IonicContact OD2-NE 3.11Å; D172-R204 PolarHBondContact OD2-NE 2.98Å; D172-R204 IonicContact OD2-NH2 3.94Å; D172-R204 PolarHBondContact OD2-NH2 3.21Å |
| 173 | R | 84.5 | Confident | 88.1 | Confident | 64 Ų | 64 | 50.3 Ų | 50.3 | 24% | 0.242 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -146.7 | 69.4 | -178.5 | -170.1 | -173.2 | 155.3 | 118.9 | -0.5 | 110.3 | L170 D181 D184 W203 | L170-R173 CarbonylContact O-C 3.59Å; L170-R173 PolarHBondContact O-N 2.97Å; R173-D181 PolarHBondContact NH2-O 2.82Å; R173-D184 IonicContact CZ-OD1 2.65Å; R173-D184 IonicContact CZ-OD2 2.62Å; R173-D184 VanDerWaalsContact CZ-OD2 3.25Å; R173-D184 IonicContact NH1-OD1 2.63Å; R173-D184 IonicContact NH1-OD2 3.39Å; R173-D184 PolarHBondContact NH1-OD2 3.34Å; R173-D184 IonicContact NH2-OD1 3.96Å; R173-D184 PolarHBondContact NH2-OD1 2.91Å; R173-D184 IonicContact NH2-OD2 3.18Å; R173-D184 PolarHBondContact NH2-OD2 2.89Å; R173-W203 HydrophobicContact CB-CH2 4.06Å; R173-W203 HydrophobicContact CB-CZ3 4.13Å |
| 174 | P | 82.3 | Confident | 88.2 | Confident | 86 Ų | 86 | 50 Ų | 50 | 56% | 0.558 | 27% | 0.273 | S | S | * | . | trans | -66.7 | 138 | -174.5 | 26.1 | -34.7 | 0 | 0 | 0 | 112.6 | N167 | N167-P174 WeakPolarHBondContact OD1-CA 3.36Å; N167-P174 WeakPolarHBondContact OD1-CB 3.21Å | ||
| 175 | V | 90.6 | Very high | 88.6 | Confident | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.03 | 26% | 0.258 | C | S | . | . | trans | -107.3 | 143.7 | -176.8 | -66.8 | 0 | 0 | 0 | 0 | 110.8 | L166 N167 L170 D181 W182 A187 | L166-V175 HydrophobicContact CB-CG2 4.25Å; N167-V175 PolarHBondContact ND2-O 3.25Å; N167-V175 PolarHBondContact OD1-N 2.86Å; N167-V175 PolarHBondContact OD1-O 3.49Å; L170-V175 HydrophobicContact CD1-CG1 4.01Å; L170-V175 HydrophobicContact CD1-CG2 4.13Å; V175-D181 HydrophobicContact CB-CB 4.3Å; V175-D181 HydrophobicContact CG1-CB 4.12Å; V175-W182 HydrophobicContact CB-CZ2 4.14Å; V175-W182 HydrophobicContact CG1-CH2 4.37Å; V175-W182 HydrophobicContact CG1-CZ2 3.93Å; V175-W182 HydrophobicContact CG2-CZ2 3.88Å; V175-A187 HydrophobicContact CG1-CB 4.31Å | ||
| 176 | K | 88.4 | Confident | 88.8 | Confident | 176 Ų | 176 | 47.8 Ų | 47.8 | 77% | 0.765 | 26% | 0.258 | S | S | * | . | trans | -119 | -21.2 | -172.9 | -60.2 | 171.6 | -173.5 | 167.3 | 0 | 112.9 | D181 | K176-D181 WeakPolarHBondContact CA-OD2 3.44Å; K176-D181 PolarHBondContact N-OD2 3.37Å | ||
| 177 | N | 90.6 | Very high | 89 | Confident | 32 Ų | 32 | 47.8 Ų | 47.8 | 17% | 0.171 | 26% | 0.258 | C | S | . | . | trans | -133.3 | 173.2 | 178.9 | 66 | 48.7 | 0 | 0 | 0 | 112.3 | T179 T180 D181 W182 | N177-T179 VanDerWaalsContact OD1-C 3.23Å; N177-T179 PolarHBondContact OD1-N 3.41Å; N177-T180 PolarHBondContact ND2-OG1 2.92Å; N177-T180 PolarHBondContact OD1-N 2.96Å; N177-D181 VanDerWaalsContact CG-OD2 3.31Å; N177-D181 PolarHBondContact N-OD2 2.85Å; N177-D181 PolarHBondContact ND2-OD2 3.07Å; N177-D181 PolarHBondContact OD1-N 2.7Å; N177-D181 PolarHBondContact OD1-OD2 2.97Å; N177-W182 PolarHBondContact O-NE1 2.93Å | ||
| 178 | F | 94 | Very high | 89.3 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -105.6 | 32.5 | 170.1 | -69.4 | -75.8 | 0 | 0 | 0 | 111.8 | K159 L162 L163 L166 E244 M247 M248 L251 | K159-F178 HydrophobicContact CG-CD2 4.08Å; K159-F178 HydrophobicContact CG-CE2 3.72Å; L162-F178 HydrophobicContact CB-CZ 3.94Å; L162-F178 HydrophobicContact CD2-CE1 3.75Å; L162-F178 HydrophobicContact CD2-CZ 3.81Å; L162-F178 HydrophobicContact CG-CE1 3.92Å; L162-F178 HydrophobicContact CG-CZ 3.76Å; L163-F178 HydrophobicContact CB-CE2 3.9Å; L163-F178 HydrophobicContact CB-CZ 3.85Å; L163-F178 HydrophobicContact CD1-CD2 4.17Å; L163-F178 HydrophobicContact CD1-CE2 3.7Å; L163-F178 HydrophobicContact CD1-CZ 4.26Å; L163-F178 HydrophobicContact CG-CE2 4.25Å; L163-F178 HydrophobicContact CG-CZ 4.35Å; L166-F178 HydrophobicContact CD1-CE1 3.54Å; L166-F178 HydrophobicContact CD1-CZ 4.12Å; F178-E244 HydrophobicContact CB-CB 3.89Å; F178-E244 HydrophobicContact CB-CG 3.88Å; F178-E244 PolarHBondContact N-OE1 3.4Å; F178-M247 HydrophobicContact CB-CB 4.07Å; F178-M247 WeakPolarHBondContact O-CB 3.32Å; F178-M247 VanDerWaalsContact O-CG 3.25Å; F178-M247 WeakPolarHBondContact O-CG 3.43Å; F178-M248 HydrophobicContact CB-CG 4.08Å; F178-M248 HydrophobicContact CD1-CG 3.67Å; F178-M248 HydrophobicContact CD2-CG 3.46Å; F178-M248 VanDerWaalsContact CD2-CG 3.46Å; F178-M248 HydrophobicContact CD2-SD 3.79Å; F178-M248 HydrophobicContact CE1-CG 3.86Å; F178-M248 HydrophobicContact CE2-CG 3.67Å; F178-M248 HydrophobicContact CE2-SD 3.9Å; F178-M248 HydrophobicContact CG-CG 3.46Å; F178-M248 VanDerWaalsContact CG-CG 3.46Å; F178-M248 HydrophobicContact CG-SD 4.36Å; F178-M248 HydrophobicContact CZ-CG 3.87Å; F178-L251 HydrophobicContact CD1-CD1 3.72Å; F178-L251 HydrophobicContact CE1-CD1 3.95Å |
| 179 | T | 89.8 | Confident | 89.6 | Confident | 30 Ų | 30 | 40.7 Ų | 40.7 | 18% | 0.184 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -137.3 | -94.9 | 177.6 | 59.4 | 0 | 0 | 0 | 0 | 111.1 | N177 D181 W182 V242 E244 | N177-T179 VanDerWaalsContact OD1-C 3.23Å; N177-T179 PolarHBondContact OD1-N 3.41Å; T179-D181 VanDerWaalsContact C-N 3.32Å; T179-D181 PolarHBondContact O-N 3.03Å; T179-W182 PolarHBondContact O-N 3.03Å; T179-W182 VanDerWaalsContact O-N 3.12Å; T179-V242 HydrophobicContact CG2-CG1 4.46Å; T179-V242 WeakPolarHBondContact CG2-O 3.25Å; T179-E244 HydrophobicContact CG2-CG 3.73Å |
| 180 | T | 87.6 | Confident | 89.9 | Confident | 82 Ų | 82 | 37 Ų | 37 | 50% | 0.503 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -23.3 | -165.5 | 57.5 | 0 | 0 | 0 | 0 | 115.4 | N177 W182 N183 | N177-T180 PolarHBondContact ND2-OG1 2.92Å; N177-T180 PolarHBondContact OD1-N 2.96Å; T180-W182 PolarHBondContact O-N 3.23Å; T180-N183 WeakPolarHBondContact CA-OD1 3.34Å; T180-N183 PolarHBondContact O-N 3.37Å |
| 181 | D | 92.1 | Very high | 90.2 | Very high | 42 Ų | 42 | 36.8 Ų | 36.8 | 23% | 0.225 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -15.9 | 176.6 | -66.5 | -34.6 | 0 | 0 | 0 | 112.9 | R173 V175 K176 N177 T179 A187 | R173-D181 PolarHBondContact NH2-O 2.82Å; V175-D181 HydrophobicContact CB-CB 4.3Å; V175-D181 HydrophobicContact CG1-CB 4.12Å; K176-D181 WeakPolarHBondContact CA-OD2 3.44Å; K176-D181 PolarHBondContact N-OD2 3.37Å; N177-D181 VanDerWaalsContact CG-OD2 3.31Å; N177-D181 PolarHBondContact N-OD2 2.85Å; N177-D181 PolarHBondContact ND2-OD2 3.07Å; N177-D181 PolarHBondContact OD1-N 2.7Å; N177-D181 PolarHBondContact OD1-OD2 2.97Å; T179-D181 VanDerWaalsContact C-N 3.32Å; T179-D181 PolarHBondContact O-N 3.03Å; D181-A187 WeakPolarHBondContact O-CB 3.37Å |
| 182 | W | 94.7 | Very high | 91 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | -19.1 | -177.6 | -54 | 87 | 0 | 0 | 0 | 113.7 | L166 L170 V175 N177 T179 T180 D184 G185 A187 I188 L191 M237 M247 L251 | L166-W182 HydrophobicContact CD1-CH2 4.21Å; L166-W182 HydrophobicContact CD1-CZ2 4.01Å; L166-W182 HydrophobicContact CD2-CH2 4.26Å; L170-W182 HydrophobicContact CD1-CH2 3.88Å; L170-W182 HydrophobicContact CD1-CZ3 4.48Å; V175-W182 HydrophobicContact CB-CZ2 4.14Å; V175-W182 HydrophobicContact CG1-CH2 4.37Å; V175-W182 HydrophobicContact CG1-CZ2 3.93Å; V175-W182 HydrophobicContact CG2-CZ2 3.88Å; N177-W182 PolarHBondContact O-NE1 2.93Å; T179-W182 PolarHBondContact O-N 3.03Å; T179-W182 VanDerWaalsContact O-N 3.12Å; T180-W182 PolarHBondContact O-N 3.23Å; W182-D184 PolarHBondContact O-N 3.01Å; W182-G185 PolarHBondContact O-N 3.33Å; W182-A187 HydrophobicContact CD2-CB 4.11Å; W182-A187 HydrophobicContact CE3-CB 3.64Å; W182-A187 HydrophobicContact CZ3-CB 3.94Å; W182-I188 HydrophobicContact CE3-CB 4.33Å; W182-L191 HydrophobicContact CH2-CD2 4.27Å; W182-L191 HydrophobicContact CZ3-CD2 4.22Å; W182-M237 HydrophobicContact CB-CG 4.41Å; W182-M247 HydrophobicContact CB-CE 4.06Å; W182-M247 HydrophobicContact CD2-CE 3.95Å; W182-M247 HydrophobicContact CE3-CE 4.3Å; W182-M247 HydrophobicContact CG-CE 3.8Å; W182-L251 HydrophobicContact CD2-CD1 4.06Å; W182-L251 HydrophobicContact CE3-CD1 4.28Å; W182-L251 HydrophobicContact CE3-CD2 4.2Å; W182-L251 HydrophobicContact CH2-CD1 3.8Å; W182-L251 HydrophobicContact CH2-CD2 3.73Å; W182-L251 HydrophobicContact CH2-CG 4.45Å; W182-L251 HydrophobicContact CZ2-CD1 3.51Å; W182-L251 HydrophobicContact CZ2-CD2 4.33Å; W182-L251 HydrophobicContact CZ3-CD1 4.17Å; W182-L251 HydrophobicContact CZ3-CD2 3.65Å |
| 183 | N | 92.8 | Very high | 91.6 | Very high | 20 Ų | 20 | 28.4 Ų | 28.4 | 11% | 0.107 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -10.1 | -172.1 | -68.4 | 149.3 | 0 | 0 | 0 | 115 | T180 N211 M237 N239 | T180-N183 WeakPolarHBondContact CA-OD1 3.34Å; T180-N183 PolarHBondContact O-N 3.37Å; N183-N211 WeakPolarHBondContact O-CB 3.5Å; N183-N211 PolarHBondContact O-ND2 3.01Å; N183-M237 PolarHBondContact ND2-O 3.3Å; N183-N239 PolarHBondContact ND2-O 3.26Å |
| 184 | D | 91.8 | Very high | 91.8 | Very high | 28 Ų | 28 | 26.9 Ų | 26.9 | 15% | 0.15 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -4 | 173.2 | 78.9 | -6.7 | 0 | 0 | 0 | 113.9 | R173 W182 I186 P208 N211 N214 | R173-D184 IonicContact CZ-OD1 2.65Å; R173-D184 IonicContact CZ-OD2 2.62Å; R173-D184 VanDerWaalsContact CZ-OD2 3.25Å; R173-D184 IonicContact NH1-OD1 2.63Å; R173-D184 IonicContact NH1-OD2 3.39Å; R173-D184 PolarHBondContact NH1-OD2 3.34Å; R173-D184 IonicContact NH2-OD1 3.96Å; R173-D184 PolarHBondContact NH2-OD1 2.91Å; R173-D184 IonicContact NH2-OD2 3.18Å; R173-D184 PolarHBondContact NH2-OD2 2.89Å; W182-D184 PolarHBondContact O-N 3.01Å; D184-I186 PolarHBondContact O-N 2.95Å; D184-I186 WeakPolarHBondContact OD1-CB 3.11Å; D184-I186 PolarHBondContact OD1-N 2.84Å; D184-P208 HydrophobicContact CB-CB 4.13Å; D184-N211 WeakPolarHBondContact O-CA 3.22Å; D184-N214 PolarHBondContact O-ND2 2.78Å |
| 185 | G | 93 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 67.4 | -3.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | W182 I188 G189 | W182-G185 PolarHBondContact O-N 3.33Å; G185-I188 WeakPolarHBondContact O-CG2 3.48Å; G185-G189 PolarHBondContact O-N 2.99Å |
| 186 | I | 94.6 | Very high | 92 | Very high | 10 Ų | 10 | 24.2 Ų | 24.2 | 5% | 0.051 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -82.8 | -34 | -177.9 | -58.6 | 175.9 | 0 | 0 | 0 | 110.7 | D184 I188 G189 A190 W203 W206 P208 N214 | D184-I186 PolarHBondContact O-N 2.95Å; D184-I186 WeakPolarHBondContact OD1-CB 3.11Å; D184-I186 PolarHBondContact OD1-N 2.84Å; I186-I188 VanDerWaalsContact C-N 3.31Å; I186-I188 PolarHBondContact O-N 3.31Å; I186-G189 PolarHBondContact O-N 2.99Å; I186-A190 WeakPolarHBondContact O-CB 3.21Å; I186-A190 PolarHBondContact O-N 3.49Å; I186-W203 HydrophobicContact CG2-CE3 3.87Å; I186-W203 HydrophobicContact CG2-CZ3 4.48Å; I186-W203 WeakPolarHBondContact CG2-O 3.45Å; I186-W206 HydrophobicContact CD1-CB 4.08Å; I186-W206 WeakPolarHBondContact CD1-O 3.26Å; I186-W206 HydrophobicContact CG1-CB 3.96Å; I186-W206 HydrophobicContact CG1-CE3 4.36Å; I186-P208 HydrophobicContact CD1-CB 4.39Å; I186-P208 HydrophobicContact CD1-CG 3.93Å; I186-N214 WeakPolarHBondContact CG1-ND2 3.44Å |
| 187 | A | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.7 | -39.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V175 D181 W182 A190 L191 | V175-A187 HydrophobicContact CG1-CB 4.31Å; D181-A187 WeakPolarHBondContact O-CB 3.37Å; W182-A187 HydrophobicContact CD2-CB 4.11Å; W182-A187 HydrophobicContact CE3-CB 3.64Å; W182-A187 HydrophobicContact CZ3-CB 3.94Å; A187-A190 PolarHBondContact O-N 3.26Å; A187-L191 PolarHBondContact O-N 2.82Å |
| 188 | I | 95.8 | Very high | 91 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -72.5 | -37.5 | 176.1 | -173.3 | 61.1 | 0 | 0 | 0 | 111.8 | W182 G185 I186 A190 L191 V192 A218 M219 M237 Y250 L251 F254 | W182-I188 HydrophobicContact CE3-CB 4.33Å; G185-I188 WeakPolarHBondContact O-CG2 3.48Å; I186-I188 VanDerWaalsContact C-N 3.31Å; I186-I188 PolarHBondContact O-N 3.31Å; I188-A190 PolarHBondContact O-N 2.96Å; I188-L191 HydrophobicContact CD1-CB 4.48Å; I188-L191 HydrophobicContact CD1-CD2 4.15Å; I188-L191 PolarHBondContact O-N 3.22Å; I188-L191 VanDerWaalsContact O-N 3.16Å; I188-V192 WeakPolarHBondContact O-CG2 3.3Å; I188-V192 PolarHBondContact O-N 2.82Å; I188-A218 HydrophobicContact CG1-CB 4.23Å; I188-A218 HydrophobicContact CG2-CB 3.97Å; I188-M219 HydrophobicContact CG1-CG 3.88Å; I188-M237 HydrophobicContact CB-SD 3.94Å; I188-M237 HydrophobicContact CG1-CE 4.3Å; I188-M237 HydrophobicContact CG1-SD 4.23Å; I188-M237 HydrophobicContact CG2-SD 3.74Å; I188-Y250 HydrophobicContact CD1-CE1 3.94Å; I188-Y250 HydrophobicContact CG1-CE1 4.49Å; I188-L251 HydrophobicContact CD1-CD2 4.23Å; I188-F254 HydrophobicContact CD1-CE1 4.42Å; I188-F254 HydrophobicContact CD1-CE2 3.72Å; I188-F254 HydrophobicContact CD1-CZ 3.54Å |
| 189 | G | 94 | Very high | 90.7 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.2 | -42.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | G185 I186 L191 V192 D193 | G185-G189 PolarHBondContact O-N 2.99Å; I186-G189 PolarHBondContact O-N 2.99Å; G189-L191 VanDerWaalsContact C-N 3.32Å; G189-L191 PolarHBondContact O-N 2.76Å; G189-V192 PolarHBondContact O-N 2.61Å; G189-D193 PolarHBondContact O-N 2.73Å; G189-D193 VanDerWaalsContact O-N 3.08Å |
| 190 | A | 93 | Very high | 90.7 | Very high | 2 Ų | 2 | 15.6 Ų | 15.6 | 2% | 0.017 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.5 | -37.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L170 I186 A187 I188 A194 W203 | L170-A190 HydrophobicContact CD2-CB 3.61Å; I186-A190 WeakPolarHBondContact O-CB 3.21Å; I186-A190 PolarHBondContact O-N 3.49Å; A187-A190 PolarHBondContact O-N 3.26Å; I188-A190 PolarHBondContact O-N 2.96Å; A190-A194 VanDerWaalsContact O-CB 3.23Å; A190-A194 WeakPolarHBondContact O-CB 3.31Å; A190-A194 PolarHBondContact O-N 2.75Å; A190-W203 HydrophobicContact CB-CD2 3.57Å; A190-W203 HydrophobicContact CB-CE3 3.69Å; A190-W203 HydrophobicContact CB-CG 4.17Å; A190-W203 HydrophobicContact CB-CH2 3.9Å; A190-W203 HydrophobicContact CB-CZ2 3.78Å; A190-W203 HydrophobicContact CB-CZ3 3.85Å |
| 191 | L | 94.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -70.5 | -41.8 | 179.4 | -176.9 | 62.6 | 0 | 0 | 0 | 112.1 | W165 L166 K169 L170 W182 A187 I188 G189 A194 C195 L251 F254 | W165-L191 HydrophobicContact CZ3-CD1 4.17Å; L166-L191 HydrophobicContact CD2-CD1 3.65Å; L166-L191 HydrophobicContact CD2-CD2 3.55Å; L166-L191 HydrophobicContact CD2-CG 4.27Å; K169-L191 HydrophobicContact CB-CD1 4.08Å; K169-L191 HydrophobicContact CG-CD1 4.5Å; L170-L191 HydrophobicContact CD2-CB 4.09Å; L170-L191 HydrophobicContact CD2-CD1 4.49Å; L170-L191 HydrophobicContact CG-CD1 4.34Å; W182-L191 HydrophobicContact CH2-CD2 4.27Å; W182-L191 HydrophobicContact CZ3-CD2 4.22Å; A187-L191 PolarHBondContact O-N 2.82Å; I188-L191 HydrophobicContact CD1-CB 4.48Å; I188-L191 HydrophobicContact CD1-CD2 4.15Å; I188-L191 PolarHBondContact O-N 3.22Å; I188-L191 VanDerWaalsContact O-N 3.16Å; G189-L191 VanDerWaalsContact C-N 3.32Å; G189-L191 PolarHBondContact O-N 2.76Å; L191-A194 CarbonylContact O-C 3.56Å; L191-A194 PolarHBondContact O-N 2.88Å; L191-C195 WeakPolarHBondContact O-CB 3.02Å; L191-C195 PolarHBondContact O-N 2.97Å; L191-C195 PolarHBondContact O-SG 2.73Å; L191-L251 HydrophobicContact CD2-CD2 3.53Å; L191-F254 HydrophobicContact CD2-CB 4.14Å; L191-F254 HydrophobicContact CD2-CD1 3.88Å; L191-F254 HydrophobicContact CD2-CD2 3.78Å; L191-F254 HydrophobicContact CD2-CE1 4.22Å; L191-F254 HydrophobicContact CD2-CE2 4.12Å; L191-F254 HydrophobicContact CD2-CG 3.64Å; L191-F254 HydrophobicContact CD2-CZ 4.33Å; L191-F254 HydrophobicContact CG-CD1 3.9Å; L191-F254 HydrophobicContact CG-CE1 4.24Å; L191-F254 HydrophobicContact CG-CG 4.13Å |
| 192 | V | 94.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.4 | -44.9 | 176.3 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | I188 G189 C195 A196 L199 A218 A221 A222 L226 F254 | I188-V192 WeakPolarHBondContact O-CG2 3.3Å; I188-V192 PolarHBondContact O-N 2.82Å; G189-V192 PolarHBondContact O-N 2.61Å; V192-C195 PolarHBondContact O-N 2.85Å; V192-A196 PolarHBondContact O-N 3.01Å; V192-L199 HydrophobicContact CG1-CB 3.85Å; V192-L199 HydrophobicContact CG1-CD1 3.86Å; V192-A218 HydrophobicContact CG2-CB 4.31Å; V192-A221 HydrophobicContact CG1-CB 4.21Å; V192-A222 HydrophobicContact CG2-CB 3.86Å; V192-L226 HydrophobicContact CG1-CD1 4.14Å; V192-F254 HydrophobicContact CG2-CE1 3.83Å; V192-F254 HydrophobicContact CG2-CZ 4.09Å |
| 193 | D | 90.7 | Very high | 89.9 | Confident | 19 Ų | 19 | 15.2 Ų | 15.2 | 10% | 0.102 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -67.8 | -32.7 | 174.8 | -158.6 | 60 | 0 | 0 | 0 | 112.6 | G189 C195 A196 P197 G198 C200 | G189-D193 PolarHBondContact O-N 2.73Å; G189-D193 VanDerWaalsContact O-N 3.08Å; D193-C195 VanDerWaalsContact C-N 3.27Å; D193-C195 PolarHBondContact O-N 2.79Å; D193-A196 CarbonylContact O-C 3.57Å; D193-A196 VanDerWaalsContact O-C 3.27Å; D193-P197 WeakPolarHBondContact O-CA 3.2Å; D193-P197 VanDerWaalsContact O-CD 3.31Å; D193-P197 WeakPolarHBondContact O-CD 3.34Å; D193-P197 WeakPolarHBondContact O-CG 3.26Å; D193-G198 PolarHBondContact OD1-N 2.8Å; D193-C200 HydrophobicContact CB-CB 4.21Å; D193-C200 PolarHBondContact OD1-N 3.3Å |
| 194 | A | 88.6 | Confident | 89.6 | Confident | 32 Ų | 32 | 20.3 Ų | 20.3 | 26% | 0.264 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -73.8 | -14.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114 | K169 A190 L191 | K169-A194 HydrophobicContact CB-CB 4.2Å; K169-A194 HydrophobicContact CD-CB 4.48Å; K169-A194 PolarHBondContact NZ-O 2.89Å; K169-A194 WeakPolarHBondContact O-CB 3Å; A190-A194 VanDerWaalsContact O-CB 3.23Å; A190-A194 WeakPolarHBondContact O-CB 3.31Å; A190-A194 PolarHBondContact O-N 2.75Å; L191-A194 CarbonylContact O-C 3.56Å; L191-A194 PolarHBondContact O-N 2.88Å |
| 195 | C | 88.8 | Confident | 89.3 | Confident | 31 Ų | 31 | 25.8 Ų | 25.8 | 21% | 0.209 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -92.8 | -40 | 172.4 | -66.3 | 0 | 0 | 0 | 0 | 111.8 | L191 V192 D193 L226 | L191-C195 WeakPolarHBondContact O-CB 3.02Å; L191-C195 PolarHBondContact O-N 2.97Å; L191-C195 PolarHBondContact O-SG 2.73Å; V192-C195 PolarHBondContact O-N 2.85Å; D193-C195 VanDerWaalsContact C-N 3.27Å; D193-C195 PolarHBondContact O-N 2.79Å; C195-L226 HydrophobicContact CB-CD1 3.73Å; C195-L226 HydrophobicContact CB-CD2 4.29Å |
| 196 | A | 87.4 | Confident | 89.3 | Confident | 3 Ų | 3 | 27.1 Ų | 27.1 | 3% | 0.025 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -140.4 | 95.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V192 D193 G198 L199 L226 L259 L265 | V192-A196 PolarHBondContact O-N 3.01Å; D193-A196 CarbonylContact O-C 3.57Å; D193-A196 VanDerWaalsContact O-C 3.27Å; A196-G198 PolarHBondContact O-N 3.39Å; A196-L199 HydrophobicContact CB-CD1 3.79Å; A196-L199 HydrophobicContact CB-CG 4Å; A196-L199 PolarHBondContact O-N 3.17Å; A196-L199 VanDerWaalsContact O-N 3.1Å; A196-L226 HydrophobicContact CB-CD2 3.8Å; A196-L259 HydrophobicContact CB-CD1 3.74Å; A196-L259 HydrophobicContact CB-CD2 4.36Å; A196-L265 HydrophobicContact CB-CD2 4.14Å |
| 197 | P | 81.9 | Confident | 88.8 | Confident | 22 Ų | 22 | 32 Ų | 32 | 14% | 0.143 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 121.1 | -177.1 | -29 | 35.8 | 0 | 0 | 0 | 113 | D193 L273 | D193-P197 WeakPolarHBondContact O-CA 3.2Å; D193-P197 VanDerWaalsContact O-CD 3.31Å; D193-P197 WeakPolarHBondContact O-CD 3.34Å; D193-P197 WeakPolarHBondContact O-CG 3.26Å; P197-L273 HydrophobicContact CB-CD1 3.7Å; P197-L273 HydrophobicContact CG-CD1 3.73Å |
| 198 | G | 77 | Confident | 88.5 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 4% | 0.041 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105.2 | 0.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | D193 A196 L265 R266 | D193-G198 PolarHBondContact OD1-N 2.8Å; A196-G198 PolarHBondContact O-N 3.39Å; G198-L265 WeakPolarHBondContact O-CA 3.44Å; G198-R266 PolarHBondContact O-N 2.89Å |
| 199 | L | 87.3 | Confident | 88 | Confident | 26 Ų | 26 | 45.3 Ų | 45.3 | 14% | 0.136 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -77.4 | -43.1 | 165.7 | -76 | -175.5 | 0 | 0 | 0 | 112.2 | V192 A196 P201 W225 L226 A263 L265 | V192-L199 HydrophobicContact CG1-CB 3.85Å; V192-L199 HydrophobicContact CG1-CD1 3.86Å; A196-L199 HydrophobicContact CB-CD1 3.79Å; A196-L199 HydrophobicContact CB-CG 4Å; A196-L199 PolarHBondContact O-N 3.17Å; A196-L199 VanDerWaalsContact O-N 3.1Å; L199-P201 VanDerWaalsContact C-CD 3.43Å; L199-W225 HydrophobicContact CD1-CB 3.95Å; L199-W225 HydrophobicContact CD2-CB 3.9Å; L199-W225 HydrophobicContact CD2-CG 3.92Å; L199-L226 HydrophobicContact CD1-CD1 4.12Å; L199-L226 HydrophobicContact CD1-CD2 4.37Å; L199-L226 HydrophobicContact CD1-CG 3.88Å; L199-A263 HydrophobicContact CD2-CB 4.5Å; L199-L265 HydrophobicContact CD2-CD2 3.83Å; L199-L265 HydrophobicContact CG-CD2 3.73Å |
| 200 | C | 90.4 | Very high | 87.8 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 5% | 0.047 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -128.5 | 51.9 | 178.3 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | D193 D202 W203 W206 | D193-C200 HydrophobicContact CB-CB 4.21Å; D193-C200 PolarHBondContact OD1-N 3.3Å; C200-D202 PolarHBondContact O-N 3.26Å; C200-W203 VanDerWaalsContact O-CD1 3.22Å; C200-W203 PolarHBondContact O-N 2.89Å; C200-W203 VanDerWaalsContact O-N 3.11Å; C200-W206 HydrophobicContact CB-CH2 4.26Å; C200-W206 HydrophobicContact CB-CZ2 4.34Å |
| 201 | P | 80.5 | Confident | 87.8 | Confident | 21 Ų | 21 | 51 Ų | 51 | 14% | 0.136 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -14.9 | -164.6 | 27.8 | -36.6 | 0 | 0 | 0 | 114.8 | L199 R266 | L199-P201 VanDerWaalsContact C-CD 3.43Å; P201-R266 HydrophobicContact CG-CB 4.42Å |
| 202 | D | 86 | Confident | 87.6 | Confident | 72 Ų | 72 | 53.6 Ų | 53.6 | 39% | 0.385 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 11.1 | -174.6 | -54.5 | -43.4 | 0 | 0 | 0 | 112.5 | C200 R204 E205 W206 K268 | C200-D202 PolarHBondContact O-N 3.26Å; D202-R204 PolarHBondContact O-N 3.26Å; D202-E205 WeakPolarHBondContact O-CA 3.18Å; D202-E205 WeakPolarHBondContact O-CB 3.5Å; D202-E205 PolarHBondContact O-N 3.13Å; D202-W206 VanDerWaalsContact O-CD1 3.29Å; D202-K268 VanDerWaalsContact OD1-CE 3.26Å; D202-K268 WeakPolarHBondContact OD1-CE 3.47Å; D202-K268 IonicContact OD1-NZ 3.26Å; D202-K268 PolarHBondContact OD1-NZ 3.22Å |
| 203 | W | 90.2 | Very high | 87.6 | Confident | 22 Ų | 22 | 59.3 Ų | 59.3 | 8% | 0.083 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -55.2 | -28.3 | -178 | 70.6 | -103.6 | 0 | 0 | 0 | 114.5 | D172 R173 I186 A190 C200 E205 W206 | D172-W203 HydrophobicContact CB-CH2 4Å; D172-W203 HydrophobicContact CB-CZ2 4.32Å; R173-W203 HydrophobicContact CB-CH2 4.06Å; R173-W203 HydrophobicContact CB-CZ3 4.13Å; I186-W203 HydrophobicContact CG2-CE3 3.87Å; I186-W203 HydrophobicContact CG2-CZ3 4.48Å; I186-W203 WeakPolarHBondContact CG2-O 3.45Å; A190-W203 HydrophobicContact CB-CD2 3.57Å; A190-W203 HydrophobicContact CB-CE3 3.69Å; A190-W203 HydrophobicContact CB-CG 4.17Å; A190-W203 HydrophobicContact CB-CH2 3.9Å; A190-W203 HydrophobicContact CB-CZ2 3.78Å; A190-W203 HydrophobicContact CB-CZ3 3.85Å; C200-W203 VanDerWaalsContact O-CD1 3.22Å; C200-W203 PolarHBondContact O-N 2.89Å; C200-W203 VanDerWaalsContact O-N 3.11Å; W203-E205 PolarHBondContact O-N 2.68Å; W203-W206 HydrophobicContact CB-CD2 4.37Å; W203-W206 HydrophobicContact CB-CE3 4.38Å; W203-W206 PolarHBondContact O-N 3.24Å |
| 204 | R | 85.9 | Confident | 87.8 | Confident | 128 Ų | 128 | 58.4 Ų | 58.4 | 48% | 0.483 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -71.8 | -11.1 | 176 | -64.7 | -177.6 | -170.4 | 74.8 | -4.5 | 113.6 | D172 D202 | D172-R204 IonicContact OD2-CZ 3.07Å; D172-R204 IonicContact OD2-NE 3.11Å; D172-R204 PolarHBondContact OD2-NE 2.98Å; D172-R204 IonicContact OD2-NH2 3.94Å; D172-R204 PolarHBondContact OD2-NH2 3.21Å; D202-R204 PolarHBondContact O-N 3.26Å |
| 205 | E | 87.6 | Confident | 88.2 | Confident | 142 Ų | 142 | 56.9 Ų | 56.9 | 66% | 0.664 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -110.1 | 3 | -178.6 | -63 | 168.9 | -137.1 | 0 | 0 | 111.7 | D202 W203 K268 | D202-E205 WeakPolarHBondContact O-CA 3.18Å; D202-E205 WeakPolarHBondContact O-CB 3.5Å; D202-E205 PolarHBondContact O-N 3.13Å; W203-E205 PolarHBondContact O-N 2.68Å; E205-K268 IonicContact OE1-NZ 2.8Å; E205-K268 PolarHBondContact OE1-NZ 2.91Å; E205-K268 IonicContact OE2-NZ 2.89Å |
| 206 | W | 91.4 | Very high | 88.5 | Confident | 29 Ų | 29 | 62.3 Ų | 62.3 | 11% | 0.11 | 29% | 0.288 | C | S | . | . | trans | -76.5 | 144 | 177.9 | -69.7 | 0.8 | 0 | 0 | 0 | 112.4 | I186 C200 D202 W203 N214 E217 A218 | I186-W206 HydrophobicContact CD1-CB 4.08Å; I186-W206 WeakPolarHBondContact CD1-O 3.26Å; I186-W206 HydrophobicContact CG1-CB 3.96Å; I186-W206 HydrophobicContact CG1-CE3 4.36Å; C200-W206 HydrophobicContact CB-CH2 4.26Å; C200-W206 HydrophobicContact CB-CZ2 4.34Å; D202-W206 VanDerWaalsContact O-CD1 3.29Å; W203-W206 HydrophobicContact CB-CD2 4.37Å; W203-W206 HydrophobicContact CB-CE3 4.38Å; W203-W206 PolarHBondContact O-N 3.24Å; W206-N214 HydrophobicContact CD2-CB 4.41Å; W206-N214 HydrophobicContact CE3-CB 3.56Å; W206-N214 HydrophobicContact CZ3-CB 3.83Å; W206-N214 VanDerWaalsContact CZ3-O 3.28Å; W206-N214 WeakPolarHBondContact CZ3-O 3.34Å; W206-E217 HydrophobicContact CH2-CB 4.2Å; W206-E217 HydrophobicContact CZ2-CB 4.38Å; W206-E217 HydrophobicContact CZ2-CG 4.26Å; W206-A218 HydrophobicContact CH2-CB 4.17Å; W206-A218 HydrophobicContact CZ3-CB 4.3Å | ||
| 207 | E | 85.7 | Confident | 88.7 | Confident | 111 Ų | 111 | 66.3 Ų | 66.3 | 52% | 0.519 | 31% | 0.307 | S | S | . | . | trans | -85.7 | 129.2 | 178.1 | -69.5 | -172.2 | 159.2 | 0 | 0 | 111.4 | K209 Q210 N214 | E207-K209 PolarHBondContact O-N 3.21Å; E207-K209 VanDerWaalsContact O-N 3.08Å; E207-Q210 HydrophobicContact CB-CB 4.49Å; E207-Q210 HydrophobicContact CB-CG 4.08Å; E207-Q210 PolarHBondContact O-N 2.96Å; E207-Q210 PolarHBondContact OE2-NE2 2.68Å; E207-N214 PolarHBondContact O-ND2 3.02Å | ||
| 208 | P | 87.2 | Confident | 89.3 | Confident | 83 Ų | 83 | 65.3 Ų | 65.3 | 54% | 0.539 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.3 | 178.7 | -26.2 | 34.6 | 0 | 0 | 0 | 114.8 | D184 I186 | D184-P208 HydrophobicContact CB-CB 4.13Å; I186-P208 HydrophobicContact CD1-CB 4.39Å; I186-P208 HydrophobicContact CD1-CG 3.93Å |
| 209 | K | 85.6 | Confident | 90.2 | Very high | 197 Ų | 197 | 65.1 Ų | 65.1 | 86% | 0.857 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -18.1 | 175.2 | -70.7 | -169.2 | 174.1 | -169.5 | 0 | 113.9 | E207 N211 | E207-K209 PolarHBondContact O-N 3.21Å; E207-K209 VanDerWaalsContact O-N 3.08Å; K209-N211 PolarHBondContact O-N 3.38Å |
| 210 | Q | 90.4 | Very high | 90.5 | Very high | 68 Ų | 68 | 65.1 Ų | 65.1 | 32% | 0.318 | 31% | 0.305 | S | S | . | . | trans | -89.7 | 35 | 177.1 | -62.2 | -173.6 | 33.4 | 0 | 0 | 111 | E207 L212 R213 N214 | E207-Q210 HydrophobicContact CB-CB 4.49Å; E207-Q210 HydrophobicContact CB-CG 4.08Å; E207-Q210 PolarHBondContact O-N 2.96Å; E207-Q210 PolarHBondContact OE2-NE2 2.68Å; Q210-L212 PolarHBondContact O-N 2.74Å; Q210-R213 HydrophobicContact CB-CB 4.38Å; Q210-R213 WeakPolarHBondContact O-CA 3.37Å; Q210-R213 WeakPolarHBondContact O-CB 3.41Å; Q210-R213 PolarHBondContact O-N 3.11Å; Q210-N214 PolarHBondContact O-N 3.14Å; Q210-N214 PolarHBondContact O-ND2 3.43Å; Q210-N214 PolarHBondContact O-OD1 2.82Å | ||
| 211 | N | 91.3 | Very high | 90.5 | Very high | 53 Ų | 53 | 65.5 Ų | 65.5 | 28% | 0.283 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -56.6 | -47.2 | -163.9 | 63.8 | -18.8 | 0 | 0 | 0 | 114.5 | N183 D184 K209 R213 N214 A215 T238 | N183-N211 WeakPolarHBondContact O-CB 3.5Å; N183-N211 PolarHBondContact O-ND2 3.01Å; D184-N211 WeakPolarHBondContact O-CA 3.22Å; K209-N211 PolarHBondContact O-N 3.38Å; N211-R213 VanDerWaalsContact C-N 3.28Å; N211-R213 PolarHBondContact O-N 3.33Å; N211-N214 WeakPolarHBondContact O-CB 3.4Å; N211-N214 PolarHBondContact O-N 3.36Å; N211-A215 WeakPolarHBondContact O-CB 3.26Å; N211-A215 PolarHBondContact O-N 3.45Å; N211-T238 HydrophobicContact CB-CG2 4.02Å |
| 212 | L | 92.2 | Very high | 91.2 | Very high | 55 Ų | 55 | 64.5 Ų | 64.5 | 29% | 0.288 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.2 | -35.7 | 178.5 | -178.2 | 57.4 | 0 | 0 | 0 | 112.2 | Q210 R216 P234 E235 | Q210-L212 PolarHBondContact O-N 2.74Å; L212-R216 HydrophobicContact CD1-CG 4.31Å; L212-R216 WeakPolarHBondContact O-CB 3.37Å; L212-R216 VanDerWaalsContact O-CG 3.26Å; L212-R216 WeakPolarHBondContact O-CG 3.34Å; L212-R216 PolarHBondContact O-N 3.08Å; L212-P234 HydrophobicContact CD1-CB 3.86Å; L212-E235 HydrophobicContact CD1-CB 4.31Å; L212-E235 HydrophobicContact CD1-CG 3.78Å; L212-E235 HydrophobicContact CD2-CG 4.31Å |
| 213 | R | 94.3 | Very high | 91.5 | Very high | 120 Ų | 120 | 64.8 Ų | 64.8 | 45% | 0.453 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.3 | -50.8 | 173.6 | -178 | -158.8 | 154 | -163 | -8.3 | 110.3 | Q210 N211 A215 R216 E217 | Q210-R213 HydrophobicContact CB-CB 4.38Å; Q210-R213 WeakPolarHBondContact O-CA 3.37Å; Q210-R213 WeakPolarHBondContact O-CB 3.41Å; Q210-R213 PolarHBondContact O-N 3.11Å; N211-R213 VanDerWaalsContact C-N 3.28Å; N211-R213 PolarHBondContact O-N 3.33Å; R213-A215 VanDerWaalsContact C-N 3.28Å; R213-A215 PolarHBondContact O-N 2.96Å; R213-R216 PolarHBondContact O-N 3.46Å; R213-E217 IonicContact CZ-OE2 3.58Å; R213-E217 VanDerWaalsContact CZ-OE2 3.3Å; R213-E217 IonicContact NE-OE2 3.73Å; R213-E217 PolarHBondContact NE-OE2 3.19Å; R213-E217 IonicContact NH2-OE1 2.65Å; R213-E217 IonicContact NH2-OE2 2.71Å; R213-E217 PolarHBondContact NH2-OE2 2.9Å; R213-E217 VanDerWaalsContact O-CB 3.29Å; R213-E217 WeakPolarHBondContact O-CB 3.49Å; R213-E217 PolarHBondContact O-N 2.81Å |
| 214 | N | 95.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -54.1 | -46.5 | 179.4 | -60.4 | -17.9 | 0 | 0 | 0 | 110.9 | D184 I186 W206 E207 Q210 N211 A218 | D184-N214 PolarHBondContact O-ND2 2.78Å; I186-N214 WeakPolarHBondContact CG1-ND2 3.44Å; W206-N214 HydrophobicContact CD2-CB 4.41Å; W206-N214 HydrophobicContact CE3-CB 3.56Å; W206-N214 HydrophobicContact CZ3-CB 3.83Å; W206-N214 VanDerWaalsContact CZ3-O 3.28Å; W206-N214 WeakPolarHBondContact CZ3-O 3.34Å; E207-N214 PolarHBondContact O-ND2 3.02Å; Q210-N214 PolarHBondContact O-N 3.14Å; Q210-N214 PolarHBondContact O-ND2 3.43Å; Q210-N214 PolarHBondContact O-OD1 2.82Å; N211-N214 WeakPolarHBondContact O-CB 3.4Å; N211-N214 PolarHBondContact O-N 3.36Å; N214-A218 WeakPolarHBondContact O-CB 3.44Å; N214-A218 PolarHBondContact O-N 2.88Å; N214-A218 VanDerWaalsContact O-N 3.07Å |
| 215 | A | 95.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.5 | -49.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N211 R213 E217 A218 M219 P234 T238 | N211-A215 WeakPolarHBondContact O-CB 3.26Å; N211-A215 PolarHBondContact O-N 3.45Å; R213-A215 VanDerWaalsContact C-N 3.28Å; R213-A215 PolarHBondContact O-N 2.96Å; A215-E217 VanDerWaalsContact C-N 3.35Å; A215-E217 PolarHBondContact O-N 3.06Å; A215-A218 PolarHBondContact O-N 3.48Å; A215-M219 HydrophobicContact CB-SD 4.13Å; A215-M219 VanDerWaalsContact O-CB 3.26Å; A215-M219 WeakPolarHBondContact O-CB 3.47Å; A215-M219 WeakPolarHBondContact O-CG 3.32Å; A215-M219 PolarHBondContact O-N 3.03Å; A215-P234 HydrophobicContact CB-CB 3.88Å; A215-T238 HydrophobicContact CB-CG2 3.78Å |
| 216 | R | 95 | Very high | 92.1 | Very high | 144 Ų | 144 | 59.7 Ų | 59.7 | 54% | 0.543 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.1 | -44 | 176.6 | -77.9 | 175.2 | 173 | -169.2 | -0.8 | 112.4 | L212 R213 G220 P234 E235 | L212-R216 HydrophobicContact CD1-CG 4.31Å; L212-R216 WeakPolarHBondContact O-CB 3.37Å; L212-R216 VanDerWaalsContact O-CG 3.26Å; L212-R216 WeakPolarHBondContact O-CG 3.34Å; L212-R216 PolarHBondContact O-N 3.08Å; R213-R216 PolarHBondContact O-N 3.46Å; R216-G220 PolarHBondContact O-N 3.39Å; R216-G220 VanDerWaalsContact O-N 3.08Å; R216-P234 HydrophobicContact CB-CB 4.35Å; R216-P234 HydrophobicContact CB-CG 4.33Å; R216-P234 HydrophobicContact CG-CB 3.53Å; R216-P234 HydrophobicContact CG-CG 3.68Å; R216-E235 IonicContact CZ-OE1 3.25Å; R216-E235 IonicContact NE-OE1 2.76Å; R216-E235 PolarHBondContact NE-OE1 2.95Å; R216-E235 IonicContact NH2-OE1 3.64Å; R216-E235 PolarHBondContact NH2-OE1 2.65Å |
| 217 | E | 91.9 | Very high | 92 | Very high | 88 Ų | 88 | 63.3 Ų | 63.3 | 41% | 0.411 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.8 | -39.9 | -177.8 | -159.6 | 169.5 | 145 | 0 | 0 | 111.2 | W206 R213 A215 | W206-E217 HydrophobicContact CH2-CB 4.2Å; W206-E217 HydrophobicContact CZ2-CB 4.38Å; W206-E217 HydrophobicContact CZ2-CG 4.26Å; R213-E217 IonicContact CZ-OE2 3.58Å; R213-E217 VanDerWaalsContact CZ-OE2 3.3Å; R213-E217 IonicContact NE-OE2 3.73Å; R213-E217 PolarHBondContact NE-OE2 3.19Å; R213-E217 IonicContact NH2-OE1 2.65Å; R213-E217 IonicContact NH2-OE2 2.71Å; R213-E217 PolarHBondContact NH2-OE2 2.9Å; R213-E217 VanDerWaalsContact O-CB 3.29Å; R213-E217 WeakPolarHBondContact O-CB 3.49Å; R213-E217 PolarHBondContact O-N 2.81Å; A215-E217 VanDerWaalsContact C-N 3.35Å; A215-E217 PolarHBondContact O-N 3.06Å |
| 218 | A | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -73.8 | -51 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | I188 V192 W206 N214 A215 G220 A221 A222 | I188-A218 HydrophobicContact CG1-CB 4.23Å; I188-A218 HydrophobicContact CG2-CB 3.97Å; V192-A218 HydrophobicContact CG2-CB 4.31Å; W206-A218 HydrophobicContact CH2-CB 4.17Å; W206-A218 HydrophobicContact CZ3-CB 4.3Å; N214-A218 WeakPolarHBondContact O-CB 3.44Å; N214-A218 PolarHBondContact O-N 2.88Å; N214-A218 VanDerWaalsContact O-N 3.07Å; A215-A218 PolarHBondContact O-N 3.48Å; A218-G220 PolarHBondContact O-N 3.02Å; A218-A221 WeakPolarHBondContact O-CB 3.26Å; A218-A221 PolarHBondContact O-N 2.84Å; A218-A221 VanDerWaalsContact O-N 3.15Å; A218-A222 PolarHBondContact O-N 3.12Å |
| 219 | M | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.3 | -36.2 | -172.9 | -65.8 | 168.4 | 64.2 | 0 | 0 | 111.9 | I188 A215 A221 A222 E223 Q230 I232 P234 M237 Y250 | I188-M219 HydrophobicContact CG1-CG 3.88Å; A215-M219 HydrophobicContact CB-SD 4.13Å; A215-M219 VanDerWaalsContact O-CB 3.26Å; A215-M219 WeakPolarHBondContact O-CB 3.47Å; A215-M219 WeakPolarHBondContact O-CG 3.32Å; A215-M219 PolarHBondContact O-N 3.03Å; M219-A221 VanDerWaalsContact C-N 3.33Å; M219-A221 PolarHBondContact O-N 3.4Å; M219-A222 WeakPolarHBondContact O-CB 3.43Å; M219-A222 PolarHBondContact O-N 3.19Å; M219-E223 PolarHBondContact O-N 3.21Å; M219-Q230 HydrophobicContact CB-CG 4.32Å; M219-I232 HydrophobicContact CE-CG2 3.95Å; M219-I232 WeakPolarHBondContact CE-O 3.39Å; M219-P234 HydrophobicContact CB-CG 4.4Å; M219-P234 HydrophobicContact CE-CG 4.03Å; M219-P234 HydrophobicContact SD-CB 4.08Å; M219-P234 HydrophobicContact SD-CG 3.81Å; M219-M237 HydrophobicContact CE-CE 3.82Å; M219-M237 HydrophobicContact CG-CE 4.3Å; M219-M237 HydrophobicContact SD-CB 4.4Å; M219-M237 HydrophobicContact SD-CE 3.5Å; M219-M237 WeakPolarHBondContact SD-CE 3.44Å; M219-M237 HydrophobicContact SD-SD 3.75Å; M219-Y250 HydrophobicContact CE-CE1 4.13Å; M219-Y250 HydrophobicContact CG-CE1 4.28Å |
| 220 | G | 92.2 | Very high | 93 | Very high | 27 Ų | 27 | 47.5 Ų | 47.5 | 28% | 0.278 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.8 | -37.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R216 A218 Q224 | R216-G220 PolarHBondContact O-N 3.39Å; R216-G220 VanDerWaalsContact O-N 3.08Å; A218-G220 PolarHBondContact O-N 3.02Å; G220-Q224 WeakPolarHBondContact O-CB 3.33Å; G220-Q224 PolarHBondContact O-N 2.92Å |
| 221 | A | 90.7 | Very high | 93.2 | Very high | 15 Ų | 15 | 44.4 Ų | 44.4 | 12% | 0.124 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.8 | -35 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V192 A218 M219 W225 | V192-A221 HydrophobicContact CG1-CB 4.21Å; A218-A221 WeakPolarHBondContact O-CB 3.26Å; A218-A221 PolarHBondContact O-N 2.84Å; A218-A221 VanDerWaalsContact O-N 3.15Å; M219-A221 VanDerWaalsContact C-N 3.33Å; M219-A221 PolarHBondContact O-N 3.4Å; A221-W225 WeakPolarHBondContact O-CB 3.17Å; A221-W225 PolarHBondContact O-N 3.08Å |
| 222 | A | 94.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.5 | -46.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V192 A218 M219 L226 D227 V228 F254 | V192-A222 HydrophobicContact CG2-CB 3.86Å; A218-A222 PolarHBondContact O-N 3.12Å; M219-A222 WeakPolarHBondContact O-CB 3.43Å; M219-A222 PolarHBondContact O-N 3.19Å; A222-L226 CarbonylContact O-C 3.56Å; A222-L226 VanDerWaalsContact O-CA 3.29Å; A222-L226 WeakPolarHBondContact O-CA 3.18Å; A222-L226 VanDerWaalsContact O-CB 3.25Å; A222-L226 WeakPolarHBondContact O-CB 3.46Å; A222-L226 PolarHBondContact O-N 2.65Å; A222-D227 PolarHBondContact O-N 3.44Å; A222-V228 HydrophobicContact CB-CB 4.14Å; A222-V228 PolarHBondContact O-N 2.75Å; A222-F254 HydrophobicContact CB-CE1 4.07Å; A222-F254 HydrophobicContact CB-CZ 3.82Å |
| 223 | E | 93.6 | Very high | 93.4 | Very high | 77 Ų | 77 | 42.8 Ų | 42.8 | 36% | 0.36 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.5 | -46.9 | 178 | -177.1 | 165.5 | -108.2 | 0 | 0 | 111.7 | M219 W225 V228 P229 Q230 K260 | M219-E223 PolarHBondContact O-N 3.21Å; E223-W225 PolarHBondContact O-N 3.02Å; E223-V228 WeakPolarHBondContact CA-O 3.36Å; E223-V228 WeakPolarHBondContact CB-O 3.01Å; E223-V228 PolarHBondContact N-O 2.84Å; E223-P229 WeakPolarHBondContact OE1-CA 3.5Å; E223-Q230 HydrophobicContact CB-CG 4.25Å; E223-Q230 PolarHBondContact OE1-N 2.95Å; E223-Q230 PolarHBondContact OE2-NE2 3.37Å; E223-K260 PolarHBondContact O-NZ 2.92Å |
| 224 | Q | 90.3 | Very high | 93.4 | Very high | 121 Ų | 121 | 37.3 Ų | 37.3 | 57% | 0.565 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -69 | -35.8 | -176.1 | -168.7 | 172.2 | 67.6 | 0 | 0 | 112.9 | G220 K260 | G220-Q224 WeakPolarHBondContact O-CB 3.33Å; G220-Q224 PolarHBondContact O-N 2.92Å; Q224-K260 VanDerWaalsContact O-CD 3.32Å; Q224-K260 WeakPolarHBondContact O-CD 3.45Å |
| 225 | W | 93.3 | Very high | 93.3 | Very high | 62 Ų | 62 | 40.9 Ų | 40.9 | 24% | 0.235 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -122.7 | -17.7 | -169.7 | -54.8 | 108 | 0 | 0 | 0 | 116.3 | L199 A221 E223 L259 K260 A263 P264 | L199-W225 HydrophobicContact CD1-CB 3.95Å; L199-W225 HydrophobicContact CD2-CB 3.9Å; L199-W225 HydrophobicContact CD2-CG 3.92Å; A221-W225 WeakPolarHBondContact O-CB 3.17Å; A221-W225 PolarHBondContact O-N 3.08Å; E223-W225 PolarHBondContact O-N 3.02Å; W225-L259 CarbonylContact O-C 3.53Å; W225-L259 WeakPolarHBondContact O-CA 3.4Å; W225-K260 PolarHBondContact O-N 2.93Å; W225-A263 HydrophobicContact CB-CB 4.15Å; W225-A263 HydrophobicContact CD2-CB 4.01Å; W225-A263 VanDerWaalsContact CE3-CA 3.46Å; W225-A263 HydrophobicContact CE3-CB 3.69Å; W225-A263 HydrophobicContact CG-CB 4.21Å; W225-A263 HydrophobicContact CZ3-CB 4.45Å; W225-P264 VanDerWaalsContact CE2-CD 3.43Å; W225-P264 HydrophobicContact CZ2-CG 4.15Å |
| 226 | L | 91.7 | Very high | 93.2 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -110.1 | -1.6 | 179.5 | -69.8 | 175.9 | 0 | 0 | 0 | 114.2 | V192 C195 A196 L199 A222 V228 F254 A257 K258 L259 | V192-L226 HydrophobicContact CG1-CD1 4.14Å; C195-L226 HydrophobicContact CB-CD1 3.73Å; C195-L226 HydrophobicContact CB-CD2 4.29Å; A196-L226 HydrophobicContact CB-CD2 3.8Å; L199-L226 HydrophobicContact CD1-CD1 4.12Å; L199-L226 HydrophobicContact CD1-CD2 4.37Å; L199-L226 HydrophobicContact CD1-CG 3.88Å; A222-L226 CarbonylContact O-C 3.56Å; A222-L226 VanDerWaalsContact O-CA 3.29Å; A222-L226 WeakPolarHBondContact O-CA 3.18Å; A222-L226 VanDerWaalsContact O-CB 3.25Å; A222-L226 WeakPolarHBondContact O-CB 3.46Å; A222-L226 PolarHBondContact O-N 2.65Å; L226-V228 VanDerWaalsContact C-N 3.27Å; L226-V228 HydrophobicContact CB-CG2 4.12Å; L226-V228 PolarHBondContact O-N 3.36Å; L226-F254 HydrophobicContact CD1-CE1 4.3Å; L226-A257 HydrophobicContact CB-CB 4.16Å; L226-A257 WeakPolarHBondContact O-CA 3.05Å; L226-K258 CarbonylContact C-O 3.27Å; L226-K258 VanDerWaalsContact C-O 3.23Å; L226-K258 WeakPolarHBondContact CA-O 3.4Å; L226-K258 PolarHBondContact O-N 2.99Å; L226-L259 HydrophobicContact CD2-CB 4.46Å; L226-L259 HydrophobicContact CD2-CD1 4.38Å |
| 227 | D | 89.6 | Confident | 93.2 | Very high | 104 Ų | 104 | 35 Ų | 35 | 56% | 0.556 | 18% | 0.176 | S | C | * | . | trans | 58.1 | 35.7 | -173.2 | -109 | -19.1 | 0 | 0 | 0 | 113.6 | A222 P229 K260 | A222-D227 PolarHBondContact O-N 3.44Å; D227-P229 VanDerWaalsContact O-CD 3.25Å; D227-P229 WeakPolarHBondContact O-CD 3.28Å; D227-K260 VanDerWaalsContact CG-NZ 3.28Å; D227-K260 WeakPolarHBondContact OD1-CE 3.29Å; D227-K260 IonicContact OD1-NZ 3.68Å; D227-K260 PolarHBondContact OD1-NZ 2.79Å; D227-K260 WeakPolarHBondContact OD2-CE 3.39Å; D227-K260 IonicContact OD2-NZ 3.58Å | ||
| 228 | V | 93.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | trans | -105 | 93.4 | 175.5 | 179 | 0 | 0 | 0 | 0 | 109.7 | A222 E223 L226 Y250 Q253 F254 A257 | A222-V228 HydrophobicContact CB-CB 4.14Å; A222-V228 PolarHBondContact O-N 2.75Å; E223-V228 WeakPolarHBondContact CA-O 3.36Å; E223-V228 WeakPolarHBondContact CB-O 3.01Å; E223-V228 PolarHBondContact N-O 2.84Å; L226-V228 VanDerWaalsContact C-N 3.27Å; L226-V228 HydrophobicContact CB-CG2 4.12Å; L226-V228 PolarHBondContact O-N 3.36Å; V228-Y250 HydrophobicContact CG1-CE2 3.84Å; V228-Q253 HydrophobicContact CG1-CB 3.91Å; V228-F254 HydrophobicContact CB-CZ 4.49Å; V228-F254 HydrophobicContact CG1-CD2 4.05Å; V228-F254 HydrophobicContact CG1-CE2 3.68Å; V228-F254 HydrophobicContact CG1-CZ 3.94Å; V228-F254 HydrophobicContact CG2-CD1 4.36Å; V228-F254 HydrophobicContact CG2-CE1 4.4Å; V228-A257 HydrophobicContact CG2-CB 3.72Å | ||
| 229 | P | 92.2 | Very high | 93 | Very high | 19 Ų | 19 | 33.1 Ų | 33.1 | 12% | 0.123 | 17% | 0.17 | C | C | . | . | trans | -66.8 | 147 | -176.7 | 26 | -33.4 | 0 | 0 | 0 | 112.2 | E45 E223 D227 L231 Y250 Q253 | E45-P229 HydrophobicContact CG-CG 3.85Å; E223-P229 WeakPolarHBondContact OE1-CA 3.5Å; D227-P229 VanDerWaalsContact O-CD 3.25Å; D227-P229 WeakPolarHBondContact O-CD 3.28Å; P229-L231 VanDerWaalsContact C-N 3.3Å; P229-L231 HydrophobicContact CG-CD2 4.34Å; P229-L231 PolarHBondContact O-N 2.94Å; P229-Y250 WeakPolarHBondContact O-CE2 3.16Å; P229-Q253 PolarHBondContact O-NE2 3.07Å | ||
| 230 | Q | 93.5 | Very high | 92.4 | Very high | 40 Ų | 40 | 37.9 Ų | 37.9 | 19% | 0.187 | 20% | 0.201 | C | C | . | . | trans | -74.8 | 74.4 | -174.5 | -67.3 | -174.9 | 79.3 | 0 | 0 | 112.7 | R41 M219 E223 I232 | R41-Q230 WeakPolarHBondContact CD-O 3.39Å; M219-Q230 HydrophobicContact CB-CG 4.32Å; E223-Q230 HydrophobicContact CB-CG 4.25Å; E223-Q230 PolarHBondContact OE1-N 2.95Å; E223-Q230 PolarHBondContact OE2-NE2 3.37Å; Q230-I232 VanDerWaalsContact C-N 3.32Å; Q230-I232 CarbonylContact C-O 3.06Å; Q230-I232 PolarHBondContact O-N 2.94Å | ||
| 231 | L | 94.6 | Very high | 92 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -65 | -35.7 | 177.3 | -54.6 | -173.8 | 0 | 0 | 0 | 112.2 | T38 R41 W42 E45 P229 T249 Y250 Q253 | T38-L231 VanDerWaalsContact CA-O 3.31Å; T38-L231 WeakPolarHBondContact CA-O 3.49Å; T38-L231 HydrophobicContact CG2-CB 4.27Å; R41-L231 HydrophobicContact CB-CB 4.49Å; R41-L231 HydrophobicContact CB-CD2 4.17Å; R41-L231 WeakPolarHBondContact CD-O 3.2Å; R41-L231 PolarHBondContact NH1-O 2.89Å; W42-L231 HydrophobicContact CB-CD1 4.05Å; W42-L231 HydrophobicContact CG-CD1 4.33Å; E45-L231 HydrophobicContact CB-CD2 4.37Å; P229-L231 VanDerWaalsContact C-N 3.3Å; P229-L231 HydrophobicContact CG-CD2 4.34Å; P229-L231 PolarHBondContact O-N 2.94Å; L231-T249 HydrophobicContact CD1-CG2 4.11Å; L231-Y250 HydrophobicContact CB-CD2 4.19Å; L231-Q253 VanDerWaalsContact CD1-CD 3.49Å; L231-Q253 HydrophobicContact CD1-CG 4.18Å |
| 232 | I | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -105.4 | 146.2 | 163 | -163.3 | 171 | 0 | 0 | 0 | 107.9 | I34 T38 M219 Q230 E236 M237 V242 A246 M247 Y250 | I34-I232 HydrophobicContact CG2-CD1 4.03Å; I34-I232 HydrophobicContact CG2-CG1 4.39Å; T38-I232 HydrophobicContact CG2-CB 4.34Å; M219-I232 HydrophobicContact CE-CG2 3.95Å; M219-I232 WeakPolarHBondContact CE-O 3.39Å; Q230-I232 VanDerWaalsContact C-N 3.32Å; Q230-I232 CarbonylContact C-O 3.06Å; Q230-I232 PolarHBondContact O-N 2.94Å; I232-E236 HydrophobicContact CD1-CB 4.06Å; I232-E236 HydrophobicContact CG1-CB 3.52Å; I232-M237 HydrophobicContact CD1-CB 4.37Å; I232-M237 HydrophobicContact CG2-CB 4.4Å; I232-M237 HydrophobicContact CG2-CE 3.77Å; I232-V242 HydrophobicContact CD1-CG2 3.6Å; I232-A246 HydrophobicContact CD1-CB 4.2Å; I232-M247 HydrophobicContact CD1-CG 4.39Å; I232-M247 HydrophobicContact CD1-SD 3.81Å; I232-M247 HydrophobicContact CG2-SD 4.39Å; I232-Y250 HydrophobicContact CG2-CD1 3.67Å; I232-Y250 HydrophobicContact CG2-CD2 4.22Å; I232-Y250 HydrophobicContact CG2-CE1 4.39Å; I232-Y250 HydrophobicContact CG2-CG 3.56Å |
| 233 | H | 93.6 | Very high | 91.6 | Very high | 75 Ų | 75 | 41.4 Ų | 41.4 | 35% | 0.347 | 20% | 0.204 | S | C | . | . | trans | -85.4 | 157.3 | 172.6 | -74.5 | -30.5 | 0 | 0 | 0 | 112.4 | R41 E235 E236 M237 | R41-H233 PolarHBondContact NE-NE2 2.89Å; R41-H233 PolarHBondContact NH2-CD2 2.78Å; R41-H233 PolarHBondContact NH2-NE2 2.63Å; H233-E235 PolarHBondContact O-N 2.62Å; H233-E236 HydrophobicContact CB-CB 4.47Å; H233-E236 HydrophobicContact CB-CG 4.17Å; H233-E236 PolarHBondContact N-OE2 3.36Å; H233-E236 WeakPolarHBondContact O-CB 3.33Å; H233-E236 PolarHBondContact O-N 2.68Å; H233-E236 VanDerWaalsContact O-N 3.1Å; H233-M237 PolarHBondContact O-N 2.88Å | ||
| 234 | P | 94.9 | Very high | 91.5 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.032 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.3 | -34.4 | 176.9 | -29.1 | 38 | 0 | 0 | 0 | 114.5 | L212 A215 R216 M219 T238 | L212-P234 HydrophobicContact CD1-CB 3.86Å; A215-P234 HydrophobicContact CB-CB 3.88Å; R216-P234 HydrophobicContact CB-CB 4.35Å; R216-P234 HydrophobicContact CB-CG 4.33Å; R216-P234 HydrophobicContact CG-CB 3.53Å; R216-P234 HydrophobicContact CG-CG 3.68Å; M219-P234 HydrophobicContact CB-CG 4.4Å; M219-P234 HydrophobicContact CE-CG 4.03Å; M219-P234 HydrophobicContact SD-CB 4.08Å; M219-P234 HydrophobicContact SD-CG 3.81Å; P234-T238 WeakPolarHBondContact O-CB 3.42Å; P234-T238 WeakPolarHBondContact O-CG2 3.46Å; P234-T238 PolarHBondContact O-N 3.04Å; P234-T238 VanDerWaalsContact O-N 3.08Å; P234-T238 PolarHBondContact O-OG1 3.19Å |
| 235 | E | 93.2 | Very high | 91.7 | Very high | 75 Ų | 75 | 38 Ų | 38 | 35% | 0.35 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -66.6 | -44.4 | 175.2 | -62.4 | 68.6 | -155.6 | 0 | 0 | 110.8 | L212 R216 H233 T238 N239 | L212-E235 HydrophobicContact CD1-CB 4.31Å; L212-E235 HydrophobicContact CD1-CG 3.78Å; L212-E235 HydrophobicContact CD2-CG 4.31Å; R216-E235 IonicContact CZ-OE1 3.25Å; R216-E235 IonicContact NE-OE1 2.76Å; R216-E235 PolarHBondContact NE-OE1 2.95Å; R216-E235 IonicContact NH2-OE1 3.64Å; R216-E235 PolarHBondContact NH2-OE1 2.65Å; H233-E235 PolarHBondContact O-N 2.62Å; E235-T238 PolarHBondContact O-N 2.79Å; E235-T238 PolarHBondContact O-OG1 3.12Å; E235-N239 PolarHBondContact O-N 3.45Å; E235-N239 VanDerWaalsContact O-N 3.15Å |
| 236 | E | 93.5 | Very high | 91.7 | Very high | 20 Ų | 20 | 35 Ų | 35 | 9% | 0.093 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.9 | -38.2 | 178 | -64.1 | 172.7 | 159.4 | 0 | 0 | 111.5 | I34 N37 R41 I232 H233 T238 V242 | I34-E236 HydrophobicContact CG1-CB 4.27Å; I34-E236 HydrophobicContact CG1-CG 4.2Å; I34-E236 HydrophobicContact CG2-CB 3.93Å; I34-E236 HydrophobicContact CG2-CG 4.41Å; N37-E236 WeakPolarHBondContact CB-OE1 3.44Å; N37-E236 PolarHBondContact ND2-OE1 2.67Å; R41-E236 IonicContact CZ-OE1 3.13Å; R41-E236 IonicContact CZ-OE2 2.65Å; R41-E236 IonicContact NH1-OE1 2.74Å; R41-E236 PolarHBondContact NH1-OE1 2.83Å; R41-E236 IonicContact NH1-OE2 3.38Å; R41-E236 PolarHBondContact NH1-OE2 3.48Å; R41-E236 IonicContact NH2-OE1 3.87Å; R41-E236 PolarHBondContact NH2-OE1 3.21Å; R41-E236 IonicContact NH2-OE2 3.76Å; R41-E236 PolarHBondContact NH2-OE2 3.22Å; I232-E236 HydrophobicContact CD1-CB 4.06Å; I232-E236 HydrophobicContact CG1-CB 3.52Å; H233-E236 HydrophobicContact CB-CB 4.47Å; H233-E236 HydrophobicContact CB-CG 4.17Å; H233-E236 PolarHBondContact N-OE2 3.36Å; H233-E236 WeakPolarHBondContact O-CB 3.33Å; H233-E236 PolarHBondContact O-N 2.68Å; H233-E236 VanDerWaalsContact O-N 3.1Å; E236-T238 VanDerWaalsContact C-N 3.33Å; E236-V242 WeakPolarHBondContact O-CB 3.41Å; E236-V242 WeakPolarHBondContact O-CG2 3.26Å |
| 237 | M | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68 | -30.6 | 174.5 | 178.3 | 177.4 | -58.8 | 0 | 0 | 112.8 | W182 N183 I188 M219 I232 H233 M247 Y250 | W182-M237 HydrophobicContact CB-CG 4.41Å; N183-M237 PolarHBondContact ND2-O 3.3Å; I188-M237 HydrophobicContact CB-SD 3.94Å; I188-M237 HydrophobicContact CG1-CE 4.3Å; I188-M237 HydrophobicContact CG1-SD 4.23Å; I188-M237 HydrophobicContact CG2-SD 3.74Å; M219-M237 HydrophobicContact CE-CE 3.82Å; M219-M237 HydrophobicContact CG-CE 4.3Å; M219-M237 HydrophobicContact SD-CB 4.4Å; M219-M237 HydrophobicContact SD-CE 3.5Å; M219-M237 WeakPolarHBondContact SD-CE 3.44Å; M219-M237 HydrophobicContact SD-SD 3.75Å; I232-M237 HydrophobicContact CD1-CB 4.37Å; I232-M237 HydrophobicContact CG2-CB 4.4Å; I232-M237 HydrophobicContact CG2-CE 3.77Å; H233-M237 PolarHBondContact O-N 2.88Å; M237-M247 HydrophobicContact CB-SD 4.21Å; M237-M247 HydrophobicContact CE-CE 3.79Å; M237-M247 HydrophobicContact CE-SD 3.89Å; M237-M247 HydrophobicContact CG-CE 4.27Å; M237-M247 HydrophobicContact CG-SD 3.77Å; M237-M247 HydrophobicContact SD-CE 4.31Å; M237-M247 HydrophobicContact SD-SD 4.47Å; M237-Y250 HydrophobicContact CE-CD1 3.55Å; M237-Y250 HydrophobicContact CE-CE1 3.54Å |
| 238 | T | 92.9 | Very high | 92.1 | Very high | 16 Ų | 16 | 30.2 Ų | 30.2 | 10% | 0.098 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -90.9 | -5.6 | -178.4 | 49.3 | 0 | 0 | 0 | 0 | 113.4 | N211 A215 P234 E235 E236 | N211-T238 HydrophobicContact CB-CG2 4.02Å; A215-T238 HydrophobicContact CB-CG2 3.78Å; P234-T238 WeakPolarHBondContact O-CB 3.42Å; P234-T238 WeakPolarHBondContact O-CG2 3.46Å; P234-T238 PolarHBondContact O-N 3.04Å; P234-T238 VanDerWaalsContact O-N 3.08Å; P234-T238 PolarHBondContact O-OG1 3.19Å; E235-T238 PolarHBondContact O-N 2.79Å; E235-T238 PolarHBondContact O-OG1 3.12Å; E236-T238 VanDerWaalsContact C-N 3.33Å |
| 239 | N | 89.9 | Confident | 92.2 | Very high | 34 Ų | 34 | 30.1 Ų | 30.1 | 18% | 0.182 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -69.3 | 126.2 | 172.1 | -170.4 | -42.5 | 0 | 0 | 0 | 111.2 | E30 I34 N183 E235 R241 V242 | E30-N239 PolarHBondContact OE1-ND2 3.09Å; I34-N239 HydrophobicContact CD1-CB 4.04Å; N183-N239 PolarHBondContact ND2-O 3.26Å; E235-N239 PolarHBondContact O-N 3.45Å; E235-N239 VanDerWaalsContact O-N 3.15Å; N239-R241 PolarHBondContact O-N 2.87Å; N239-R241 VanDerWaalsContact O-N 3.1Å; N239-R241 WeakPolarHBondContact OD1-CB 3.38Å; N239-R241 PolarHBondContact OD1-N 2.84Å; N239-V242 WeakPolarHBondContact O-CB 3.35Å; N239-V242 WeakPolarHBondContact O-CG1 3.19Å; N239-V242 PolarHBondContact O-N 2.74Å |
| 240 | P | 84.3 | Confident | 92.4 | Very high | 100 Ų | 100 | 29.2 Ų | 29.2 | 65% | 0.649 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -20.7 | 176.9 | -26.3 | 35.9 | 0 | 0 | 0 | 115.7 | ||
| 241 | R | 83.7 | Confident | 92.5 | Very high | 88 Ų | 88 | 27.3 Ų | 27.3 | 33% | 0.332 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 11.2 | 177.4 | -62.6 | -174.1 | 177.4 | 124.6 | 5.6 | 113.6 | E27 E30 W31 N239 D243 | E27-R241 VanDerWaalsContact CG-NH2 3.27Å; E27-R241 IonicContact OE1-CZ 2.81Å; E27-R241 IonicContact OE1-NH2 2.62Å; E27-R241 PolarHBondContact OE1-NH2 2.85Å; E27-R241 IonicContact OE2-CZ 3.65Å; E27-R241 IonicContact OE2-NH2 2.68Å; E27-R241 PolarHBondContact OE2-NH2 3.42Å; E30-R241 WeakPolarHBondContact OE2-CD 3.43Å; E30-R241 IonicContact OE2-CZ 2.87Å; E30-R241 IonicContact OE2-NE 2.71Å; E30-R241 IonicContact OE2-NH1 3.4Å; E30-R241 PolarHBondContact OE2-NH1 3.35Å; W31-R241 WeakPolarHBondContact CB-O 3.37Å; N239-R241 PolarHBondContact O-N 2.87Å; N239-R241 VanDerWaalsContact O-N 3.1Å; N239-R241 WeakPolarHBondContact OD1-CB 3.38Å; N239-R241 PolarHBondContact OD1-N 2.84Å; R241-D243 PolarHBondContact O-N 2.91Å |
| 242 | V | 87.8 | Confident | 92.4 | Very high | 5 Ų | 5 | 27.3 Ų | 27.3 | 3% | 0.03 | 14% | 0.135 | C | C | . | . | trans | -54.4 | 136.6 | 171.1 | 71.2 | 0 | 0 | 0 | 0 | 110.4 | I34 T179 I232 E236 N239 M247 | I34-V242 HydrophobicContact CG2-CG2 4.17Å; T179-V242 HydrophobicContact CG2-CG1 4.46Å; T179-V242 WeakPolarHBondContact CG2-O 3.25Å; I232-V242 HydrophobicContact CD1-CG2 3.6Å; E236-V242 WeakPolarHBondContact O-CB 3.41Å; E236-V242 WeakPolarHBondContact O-CG2 3.26Å; N239-V242 WeakPolarHBondContact O-CB 3.35Å; N239-V242 WeakPolarHBondContact O-CG1 3.19Å; N239-V242 PolarHBondContact O-N 2.74Å; V242-M247 HydrophobicContact CG1-CG 4.26Å; V242-M247 HydrophobicContact CG2-CG 3.67Å; V242-M247 HydrophobicContact CG2-SD 4.29Å | ||
| 243 | D | 88.5 | Confident | 92.4 | Very high | 22 Ų | 22 | 29.1 Ų | 29.1 | 12% | 0.118 | 14% | 0.144 | C | C | . | . | trans | -93.5 | 150.5 | -176.9 | 107.8 | -92.8 | 0 | 0 | 0 | 112.1 | W31 Q35 R241 K245 A246 M247 | W31-D243 HydrophobicContact CB-CB 4.31Å; W31-D243 HydrophobicContact CE3-CB 4.04Å; Q35-D243 WeakPolarHBondContact CB-OD1 3.3Å; Q35-D243 PolarHBondContact NE2-OD1 2.91Å; Q35-D243 PolarHBondContact NE2-OD2 2.87Å; R241-D243 PolarHBondContact O-N 2.91Å; D243-K245 PolarHBondContact O-N 3.13Å; D243-K245 WeakPolarHBondContact OD2-CA 3.47Å; D243-K245 WeakPolarHBondContact OD2-CB 3.39Å; D243-K245 WeakPolarHBondContact OD2-CG 3.21Å; D243-K245 PolarHBondContact OD2-N 3.36Å; D243-A246 PolarHBondContact O-N 2.87Å; D243-A246 VanDerWaalsContact OD1-CB 3.25Å; D243-A246 WeakPolarHBondContact OD1-CB 3.41Å; D243-A246 PolarHBondContact OD1-N 2.84Å; D243-M247 PolarHBondContact O-N 2.96Å | ||
| 244 | E | 91.8 | Very high | 92.4 | Very high | 61 Ų | 61 | 25.7 Ų | 25.7 | 29% | 0.285 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -59.1 | -31.8 | -178.1 | -71.8 | -160.5 | 127.6 | 0 | 0 | 113.4 | K159 F178 T179 M248 | K159-E244 VanDerWaalsContact CE-OE1 3.23Å; K159-E244 WeakPolarHBondContact CE-OE1 3.32Å; K159-E244 WeakPolarHBondContact CE-OE2 3.5Å; K159-E244 IonicContact NZ-OE1 2.79Å; K159-E244 PolarHBondContact NZ-OE1 2.92Å; K159-E244 IonicContact NZ-OE2 2.72Å; K159-E244 PolarHBondContact NZ-OE2 2.71Å; F178-E244 HydrophobicContact CB-CB 3.89Å; F178-E244 HydrophobicContact CB-CG 3.88Å; F178-E244 PolarHBondContact N-OE1 3.4Å; T179-E244 HydrophobicContact CG2-CG 3.73Å; E244-M248 VanDerWaalsContact O-CB 3.23Å; E244-M248 WeakPolarHBondContact O-CB 3.47Å; E244-M248 WeakPolarHBondContact O-CG 3.42Å; E244-M248 PolarHBondContact O-N 2.9Å |
| 245 | K | 94.1 | Very high | 92.1 | Very high | 65 Ų | 65 | 26.2 Ų | 26.2 | 28% | 0.283 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -72.6 | -44.6 | -178.2 | -58.4 | -178.6 | 173.6 | -177 | 0 | 111.7 | F39 W132 D243 M247 M248 T249 | F39-K245 HydrophobicContact CE1-CB 4.18Å; F39-K245 HydrophobicContact CZ-CB 3.83Å; F39-K245 HydrophobicContact CZ-CD 4.27Å; W132-K245 HydrophobicContact CB-CD 4.31Å; W132-K245 HydrophobicContact CD2-CB 3.96Å; W132-K245 HydrophobicContact CD2-CD 3.61Å; W132-K245 HydrophobicContact CD2-CG 3.77Å; W132-K245 HydrophobicContact CE3-CB 3.61Å; W132-K245 HydrophobicContact CE3-CD 4.14Å; W132-K245 HydrophobicContact CE3-CG 3.97Å; W132-K245 HydrophobicContact CG-CD 3.66Å; W132-K245 HydrophobicContact CG-CG 4.36Å; W132-K245 HydrophobicContact CH2-CB 3.99Å; W132-K245 HydrophobicContact CH2-CG 4.05Å; W132-K245 HydrophobicContact CZ2-CB 4.32Å; W132-K245 HydrophobicContact CZ2-CD 4.47Å; W132-K245 HydrophobicContact CZ2-CG 3.88Å; W132-K245 HydrophobicContact CZ3-CB 3.64Å; W132-K245 HydrophobicContact CZ3-CG 4.11Å; W132-K245 WeakPolarHBondContact CZ3-O 3.38Å; D243-K245 PolarHBondContact O-N 3.13Å; D243-K245 WeakPolarHBondContact OD2-CA 3.47Å; D243-K245 WeakPolarHBondContact OD2-CB 3.39Å; D243-K245 WeakPolarHBondContact OD2-CG 3.21Å; D243-K245 PolarHBondContact OD2-N 3.36Å; K245-M247 VanDerWaalsContact C-N 3.34Å; K245-M247 PolarHBondContact O-N 2.97Å; K245-M248 PolarHBondContact O-N 2.74Å; K245-T249 WeakPolarHBondContact O-CB 3.41Å; K245-T249 PolarHBondContact O-N 2.81Å; K245-T249 PolarHBondContact O-OG1 2.97Å |
| 246 | A | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -55.9 | -49.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | I34 T38 I232 D243 T249 Y250 | I34-A246 HydrophobicContact CG2-CB 4.02Å; T38-A246 HydrophobicContact CG2-CB 4.1Å; I232-A246 HydrophobicContact CD1-CB 4.2Å; D243-A246 PolarHBondContact O-N 2.87Å; D243-A246 VanDerWaalsContact OD1-CB 3.25Å; D243-A246 WeakPolarHBondContact OD1-CB 3.41Å; D243-A246 PolarHBondContact OD1-N 2.84Å; A246-T249 WeakPolarHBondContact O-CB 3.43Å; A246-T249 PolarHBondContact O-N 2.9Å; A246-Y250 PolarHBondContact O-N 2.9Å; A246-Y250 VanDerWaalsContact O-N 3.15Å |
| 247 | M | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.1 | -42.5 | 178.6 | -81 | -57.5 | -50.9 | 0 | 0 | 113.5 | F178 W182 I232 M237 V242 D243 K245 T249 Y250 L251 | F178-M247 HydrophobicContact CB-CB 4.07Å; F178-M247 WeakPolarHBondContact O-CB 3.32Å; F178-M247 VanDerWaalsContact O-CG 3.25Å; F178-M247 WeakPolarHBondContact O-CG 3.43Å; W182-M247 HydrophobicContact CB-CE 4.06Å; W182-M247 HydrophobicContact CD2-CE 3.95Å; W182-M247 HydrophobicContact CE3-CE 4.3Å; W182-M247 HydrophobicContact CG-CE 3.8Å; I232-M247 HydrophobicContact CD1-CG 4.39Å; I232-M247 HydrophobicContact CD1-SD 3.81Å; I232-M247 HydrophobicContact CG2-SD 4.39Å; M237-M247 HydrophobicContact CB-SD 4.21Å; M237-M247 HydrophobicContact CE-CE 3.79Å; M237-M247 HydrophobicContact CE-SD 3.89Å; M237-M247 HydrophobicContact CG-CE 4.27Å; M237-M247 HydrophobicContact CG-SD 3.77Å; M237-M247 HydrophobicContact SD-CE 4.31Å; M237-M247 HydrophobicContact SD-SD 4.47Å; V242-M247 HydrophobicContact CG1-CG 4.26Å; V242-M247 HydrophobicContact CG2-CG 3.67Å; V242-M247 HydrophobicContact CG2-SD 4.29Å; D243-M247 PolarHBondContact O-N 2.96Å; K245-M247 VanDerWaalsContact C-N 3.34Å; K245-M247 PolarHBondContact O-N 2.97Å; M247-T249 VanDerWaalsContact C-N 3.28Å; M247-T249 PolarHBondContact O-N 2.82Å; M247-Y250 PolarHBondContact O-N 2.83Å; M247-L251 HydrophobicContact CE-CD1 3.45Å; M247-L251 VanDerWaalsContact CE-CD1 3.45Å; M247-L251 HydrophobicContact CE-CD2 4.41Å; M247-L251 HydrophobicContact CE-CG 3.83Å; M247-L251 VanDerWaalsContact O-CB 3.3Å; M247-L251 WeakPolarHBondContact O-CB 3.23Å; M247-L251 VanDerWaalsContact O-CG 3.31Å; M247-L251 WeakPolarHBondContact O-CG 3.25Å; M247-L251 PolarHBondContact O-N 3.02Å |
| 248 | M | 95.1 | Very high | 90.7 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 3% | 0.03 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.5 | -38.1 | 173.6 | -78.8 | -178.1 | 63.5 | 0 | 0 | 111.8 | W132 I140 K159 L162 F178 E244 K245 S252 | W132-M248 HydrophobicContact CH2-CB 3.8Å; W132-M248 HydrophobicContact CH2-CE 3.9Å; W132-M248 HydrophobicContact CH2-CG 4.48Å; W132-M248 HydrophobicContact CH2-SD 3.97Å; W132-M248 HydrophobicContact CZ2-CE 4.27Å; W132-M248 HydrophobicContact CZ2-SD 4.37Å; W132-M248 HydrophobicContact CZ3-CB 4.24Å; I140-M248 HydrophobicContact CD1-CB 4.15Å; I140-M248 HydrophobicContact CD1-CE 3.71Å; I140-M248 HydrophobicContact CG2-CE 4.47Å; K159-M248 HydrophobicContact CB-CE 3.93Å; K159-M248 HydrophobicContact CB-SD 4.13Å; K159-M248 HydrophobicContact CG-CE 4.35Å; K159-M248 HydrophobicContact CG-SD 3.93Å; L162-M248 HydrophobicContact CD2-CB 4.16Å; L162-M248 HydrophobicContact CD2-CG 4.15Å; F178-M248 HydrophobicContact CB-CG 4.08Å; F178-M248 HydrophobicContact CD1-CG 3.67Å; F178-M248 HydrophobicContact CD2-CG 3.46Å; F178-M248 VanDerWaalsContact CD2-CG 3.46Å; F178-M248 HydrophobicContact CD2-SD 3.79Å; F178-M248 HydrophobicContact CE1-CG 3.86Å; F178-M248 HydrophobicContact CE2-CG 3.67Å; F178-M248 HydrophobicContact CE2-SD 3.9Å; F178-M248 HydrophobicContact CG-CG 3.46Å; F178-M248 VanDerWaalsContact CG-CG 3.46Å; F178-M248 HydrophobicContact CG-SD 4.36Å; F178-M248 HydrophobicContact CZ-CG 3.87Å; E244-M248 VanDerWaalsContact O-CB 3.23Å; E244-M248 WeakPolarHBondContact O-CB 3.47Å; E244-M248 WeakPolarHBondContact O-CG 3.42Å; E244-M248 PolarHBondContact O-N 2.9Å; K245-M248 PolarHBondContact O-N 2.74Å; M248-S252 WeakPolarHBondContact O-CB 3.08Å; M248-S252 PolarHBondContact O-N 3.08Å; M248-S252 PolarHBondContact O-OG 2.67Å |
| 249 | T | 95.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.7 | -53.3 | 177.3 | -54.6 | 0 | 0 | 0 | 0 | 110.6 | T38 F39 W42 I135 L231 K245 A246 M247 S252 | T38-T249 HydrophobicContact CG2-CG2 4.11Å; F39-T249 WeakPolarHBondContact CE1-OG1 3.17Å; W42-T249 HydrophobicContact CB-CG2 3.87Å; W42-T249 HydrophobicContact CG-CG2 3.88Å; I135-T249 HydrophobicContact CD1-CG2 3.86Å; I135-T249 HydrophobicContact CG1-CG2 4.18Å; I135-T249 HydrophobicContact CG2-CG2 3.98Å; L231-T249 HydrophobicContact CD1-CG2 4.11Å; K245-T249 WeakPolarHBondContact O-CB 3.41Å; K245-T249 PolarHBondContact O-N 2.81Å; K245-T249 PolarHBondContact O-OG1 2.97Å; A246-T249 WeakPolarHBondContact O-CB 3.43Å; A246-T249 PolarHBondContact O-N 2.9Å; M247-T249 VanDerWaalsContact C-N 3.28Å; M247-T249 PolarHBondContact O-N 2.82Å; T249-S252 PolarHBondContact O-OG 2.99Å |
| 250 | Y | 96 | Very high | 90 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.1 | -46.7 | 178.5 | 177.8 | -115.1 | 0 | 0 | 0 | 112.6 | I188 M219 V228 P229 L231 I232 M237 A246 M247 S252 Q253 F254 | I188-Y250 HydrophobicContact CD1-CE1 3.94Å; I188-Y250 HydrophobicContact CG1-CE1 4.49Å; M219-Y250 HydrophobicContact CE-CE1 4.13Å; M219-Y250 HydrophobicContact CG-CE1 4.28Å; V228-Y250 HydrophobicContact CG1-CE2 3.84Å; P229-Y250 WeakPolarHBondContact O-CE2 3.16Å; L231-Y250 HydrophobicContact CB-CD2 4.19Å; I232-Y250 HydrophobicContact CG2-CD1 3.67Å; I232-Y250 HydrophobicContact CG2-CD2 4.22Å; I232-Y250 HydrophobicContact CG2-CE1 4.39Å; I232-Y250 HydrophobicContact CG2-CG 3.56Å; M237-Y250 HydrophobicContact CE-CD1 3.55Å; M237-Y250 HydrophobicContact CE-CE1 3.54Å; A246-Y250 PolarHBondContact O-N 2.9Å; A246-Y250 VanDerWaalsContact O-N 3.15Å; M247-Y250 PolarHBondContact O-N 2.83Å; Y250-S252 VanDerWaalsContact C-N 3.31Å; Y250-S252 PolarHBondContact O-N 2.77Å; Y250-Q253 PolarHBondContact O-N 2.85Å; Y250-F254 HydrophobicContact CD1-CE2 4.35Å; Y250-F254 AromaticContact CE1-CE2 3.72Å; Y250-F254 HydrophobicContact CE1-CE2 3.72Å; Y250-F254 HydrophobicContact CE1-CZ 4.33Å; Y250-F254 AromaticContact CZ-CE2 3.85Å |
| 251 | L | 94.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.9 | -26.1 | -176.3 | -70.6 | 167.6 | 0 | 0 | 0 | 113.5 | L162 L166 F178 W182 I188 L191 M247 Q253 F254 P255 | L162-L251 HydrophobicContact CD2-CB 4.33Å; L166-L251 HydrophobicContact CD1-CB 4.24Å; L166-L251 HydrophobicContact CD1-CD1 4.07Å; L166-L251 HydrophobicContact CD2-CD2 4.45Å; F178-L251 HydrophobicContact CD1-CD1 3.72Å; F178-L251 HydrophobicContact CE1-CD1 3.95Å; W182-L251 HydrophobicContact CD2-CD1 4.06Å; W182-L251 HydrophobicContact CE3-CD1 4.28Å; W182-L251 HydrophobicContact CE3-CD2 4.2Å; W182-L251 HydrophobicContact CH2-CD1 3.8Å; W182-L251 HydrophobicContact CH2-CD2 3.73Å; W182-L251 HydrophobicContact CH2-CG 4.45Å; W182-L251 HydrophobicContact CZ2-CD1 3.51Å; W182-L251 HydrophobicContact CZ2-CD2 4.33Å; W182-L251 HydrophobicContact CZ3-CD1 4.17Å; W182-L251 HydrophobicContact CZ3-CD2 3.65Å; I188-L251 HydrophobicContact CD1-CD2 4.23Å; L191-L251 HydrophobicContact CD2-CD2 3.53Å; M247-L251 HydrophobicContact CE-CD1 3.45Å; M247-L251 VanDerWaalsContact CE-CD1 3.45Å; M247-L251 HydrophobicContact CE-CD2 4.41Å; M247-L251 HydrophobicContact CE-CG 3.83Å; M247-L251 VanDerWaalsContact O-CB 3.3Å; M247-L251 WeakPolarHBondContact O-CB 3.23Å; M247-L251 VanDerWaalsContact O-CG 3.31Å; M247-L251 WeakPolarHBondContact O-CG 3.25Å; M247-L251 PolarHBondContact O-N 3.02Å; L251-Q253 PolarHBondContact O-N 2.8Å; L251-Q253 VanDerWaalsContact O-N 3.11Å; L251-F254 HydrophobicContact CD2-CD2 4.2Å; L251-F254 HydrophobicContact CD2-CE2 4.32Å; L251-F254 PolarHBondContact O-N 2.99Å; L251-F254 VanDerWaalsContact O-N 3.14Å; L251-P255 WeakPolarHBondContact O-CD 3.48Å |
| 252 | S | 93.3 | Very high | 89.2 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -13.9 | 176.7 | 70.9 | 0 | 0 | 0 | 0 | 114.7 | M248 T249 Y250 P255 | M248-S252 WeakPolarHBondContact O-CB 3.08Å; M248-S252 PolarHBondContact O-N 3.08Å; M248-S252 PolarHBondContact O-OG 2.67Å; T249-S252 PolarHBondContact O-OG 2.99Å; Y250-S252 VanDerWaalsContact C-N 3.31Å; Y250-S252 PolarHBondContact O-N 2.77Å; S252-P255 WeakPolarHBondContact O-CD 3.44Å |
| 253 | Q | 93.5 | Very high | 88.6 | Confident | 37 Ų | 37 | 41.7 Ų | 41.7 | 17% | 0.173 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -29.3 | 174.8 | -60.4 | -171 | 114.1 | 0 | 0 | 113.4 | V228 P229 L231 Y250 L251 S256 A257 | V228-Q253 HydrophobicContact CG1-CB 3.91Å; P229-Q253 PolarHBondContact O-NE2 3.07Å; L231-Q253 VanDerWaalsContact CD1-CD 3.49Å; L231-Q253 HydrophobicContact CD1-CG 4.18Å; Y250-Q253 PolarHBondContact O-N 2.85Å; L251-Q253 PolarHBondContact O-N 2.8Å; L251-Q253 VanDerWaalsContact O-N 3.11Å; Q253-S256 CarbonylContact O-C 3.42Å; Q253-S256 WeakPolarHBondContact O-CA 3.23Å; Q253-S256 PolarHBondContact O-N 3.5Å; Q253-A257 PolarHBondContact O-N 3.37Å |
| 254 | F | 93.8 | Very high | 88 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 1% | 0.013 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -59.2 | -36 | -177.8 | -80.4 | -90 | 0 | 0 | 0 | 114.6 | W165 I188 L191 V192 A222 L226 V228 Y250 L251 S256 A257 | W165-F254 HydrophobicContact CH2-CB 4.08Å; W165-F254 HydrophobicContact CZ3-CB 3.91Å; I188-F254 HydrophobicContact CD1-CE1 4.42Å; I188-F254 HydrophobicContact CD1-CE2 3.72Å; I188-F254 HydrophobicContact CD1-CZ 3.54Å; L191-F254 HydrophobicContact CD2-CB 4.14Å; L191-F254 HydrophobicContact CD2-CD1 3.88Å; L191-F254 HydrophobicContact CD2-CD2 3.78Å; L191-F254 HydrophobicContact CD2-CE1 4.22Å; L191-F254 HydrophobicContact CD2-CE2 4.12Å; L191-F254 HydrophobicContact CD2-CG 3.64Å; L191-F254 HydrophobicContact CD2-CZ 4.33Å; L191-F254 HydrophobicContact CG-CD1 3.9Å; L191-F254 HydrophobicContact CG-CE1 4.24Å; L191-F254 HydrophobicContact CG-CG 4.13Å; V192-F254 HydrophobicContact CG2-CE1 3.83Å; V192-F254 HydrophobicContact CG2-CZ 4.09Å; A222-F254 HydrophobicContact CB-CE1 4.07Å; A222-F254 HydrophobicContact CB-CZ 3.82Å; L226-F254 HydrophobicContact CD1-CE1 4.3Å; V228-F254 HydrophobicContact CB-CZ 4.49Å; V228-F254 HydrophobicContact CG1-CD2 4.05Å; V228-F254 HydrophobicContact CG1-CE2 3.68Å; V228-F254 HydrophobicContact CG1-CZ 3.94Å; V228-F254 HydrophobicContact CG2-CD1 4.36Å; V228-F254 HydrophobicContact CG2-CE1 4.4Å; Y250-F254 HydrophobicContact CD1-CE2 4.35Å; Y250-F254 AromaticContact CE1-CE2 3.72Å; Y250-F254 HydrophobicContact CE1-CE2 3.72Å; Y250-F254 HydrophobicContact CE1-CZ 4.33Å; Y250-F254 AromaticContact CZ-CE2 3.85Å; L251-F254 HydrophobicContact CD2-CD2 4.2Å; L251-F254 HydrophobicContact CD2-CE2 4.32Å; L251-F254 PolarHBondContact O-N 2.99Å; L251-F254 VanDerWaalsContact O-N 3.14Å; F254-S256 PolarHBondContact O-N 3.34Å; F254-S256 VanDerWaalsContact O-N 3.17Å; F254-A257 WeakPolarHBondContact O-CB 3.46Å; F254-A257 PolarHBondContact O-N 2.76Å; F254-A257 VanDerWaalsContact O-N 3.13Å |
| 255 | P | 88.6 | Confident | 87.1 | Confident | 17 Ų | 17 | 43.8 Ų | 43.8 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -57.9 | -19.8 | 168.7 | -26.9 | 33 | 0 | 0 | 0 | 116.2 | W145 L162 W165 L251 S252 | W145-P255 HydrophobicContact CB-CB 3.91Å; W145-P255 HydrophobicContact CD2-CB 3.58Å; W145-P255 HydrophobicContact CD2-CG 3.76Å; W145-P255 HydrophobicContact CE3-CB 4.38Å; W145-P255 HydrophobicContact CE3-CG 4.19Å; W145-P255 HydrophobicContact CG-CB 3.33Å; W145-P255 HydrophobicContact CG-CG 4.08Å; W145-P255 HydrophobicContact CH2-CG 4.47Å; W145-P255 HydrophobicContact CZ2-CB 4.49Å; W145-P255 HydrophobicContact CZ2-CG 4.05Å; L162-P255 HydrophobicContact CD1-CG 4.21Å; W165-P255 HydrophobicContact CD2-CB 4.29Å; W165-P255 HydrophobicContact CD2-CG 3.79Å; W165-P255 HydrophobicContact CE3-CG 3.73Å; W165-P255 HydrophobicContact CG-CG 4.38Å; W165-P255 HydrophobicContact CH2-CB 4.4Å; W165-P255 HydrophobicContact CH2-CG 4.15Å; W165-P255 HydrophobicContact CZ2-CB 4.11Å; W165-P255 HydrophobicContact CZ2-CG 4.21Å; W165-P255 HydrophobicContact CZ3-CG 3.9Å; L251-P255 WeakPolarHBondContact O-CD 3.48Å; S252-P255 WeakPolarHBondContact O-CD 3.44Å |
| 256 | S | 84.3 | Confident | 85.7 | Confident | 70 Ų | 70 | 50.2 Ų | 50.2 | 49% | 0.49 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -105.1 | 0.7 | 177.6 | -57.2 | 0 | 0 | 0 | 0 | 113.6 | Q253 F254 | Q253-S256 CarbonylContact O-C 3.42Å; Q253-S256 WeakPolarHBondContact O-CA 3.23Å; Q253-S256 PolarHBondContact O-N 3.5Å; F254-S256 PolarHBondContact O-N 3.34Å; F254-S256 VanDerWaalsContact O-N 3.17Å |
| 257 | A | 86.9 | Confident | 83.7 | Confident | 30 Ų | 30 | 52.5 Ų | 52.5 | 25% | 0.248 | 29% | 0.29 | C | S | . | . | trans | -59.8 | 139.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113 | L226 V228 Q253 F254 | L226-A257 HydrophobicContact CB-CB 4.16Å; L226-A257 WeakPolarHBondContact O-CA 3.05Å; V228-A257 HydrophobicContact CG2-CB 3.72Å; Q253-A257 PolarHBondContact O-N 3.37Å; F254-A257 WeakPolarHBondContact O-CB 3.46Å; F254-A257 PolarHBondContact O-N 2.76Å; F254-A257 VanDerWaalsContact O-N 3.13Å | ||
| 258 | K | 82.1 | Confident | 81.7 | Confident | 154 Ų | 154 | 57.3 Ų | 57.3 | 67% | 0.67 | 31% | 0.311 | S | S | * | . | trans | -131.6 | 120.4 | -178 | -71.4 | 171 | -170.9 | 168.3 | 0 | 110.8 | L226 K260 | L226-K258 CarbonylContact C-O 3.27Å; L226-K258 VanDerWaalsContact C-O 3.23Å; L226-K258 WeakPolarHBondContact CA-O 3.4Å; L226-K258 PolarHBondContact O-N 2.99Å; K258-K260 PolarHBondContact O-N 2.85Å | ||
| 259 | L | 85.9 | Confident | 80 | Confident | 78 Ų | 78 | 60.6 Ų | 60.6 | 41% | 0.408 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 121 | 176.8 | -176.6 | 63.8 | 0 | 0 | 0 | 110.8 | A196 W225 L226 A263 L265 | A196-L259 HydrophobicContact CB-CD1 3.74Å; A196-L259 HydrophobicContact CB-CD2 4.36Å; W225-L259 CarbonylContact O-C 3.53Å; W225-L259 WeakPolarHBondContact O-CA 3.4Å; L226-L259 HydrophobicContact CD2-CB 4.46Å; L226-L259 HydrophobicContact CD2-CD1 4.38Å; L259-A263 HydrophobicContact CD1-CB 3.5Å; L259-A263 VanDerWaalsContact CD1-CB 3.5Å; L259-A263 HydrophobicContact CG-CB 4.3Å; L259-L265 HydrophobicContact CD1-CD2 4.46Å; L259-L265 HydrophobicContact CD2-CD1 3.97Å |
| 260 | K | 81.5 | Confident | 78.5 | Confident | 68 Ų | 68 | 63.1 Ų | 63.1 | 30% | 0.296 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -74 | 142.2 | 175.3 | -71.4 | 169.7 | -176 | 164.7 | 0 | 111.8 | E223 Q224 W225 D227 K258 G262 A263 | E223-K260 PolarHBondContact O-NZ 2.92Å; Q224-K260 VanDerWaalsContact O-CD 3.32Å; Q224-K260 WeakPolarHBondContact O-CD 3.45Å; W225-K260 PolarHBondContact O-N 2.93Å; D227-K260 VanDerWaalsContact CG-NZ 3.28Å; D227-K260 WeakPolarHBondContact OD1-CE 3.29Å; D227-K260 IonicContact OD1-NZ 3.68Å; D227-K260 PolarHBondContact OD1-NZ 2.79Å; D227-K260 WeakPolarHBondContact OD2-CE 3.39Å; D227-K260 IonicContact OD2-NZ 3.58Å; K258-K260 PolarHBondContact O-N 2.85Å; K260-G262 PolarHBondContact O-N 3.03Å; K260-A263 PolarHBondContact O-N 2.86Å |
| 261 | D | 75.6 | Confident | 77.3 | Confident | 174 Ų | 174 | 64 Ų | 64 | 93% | 0.93 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 131.7 | 173.8 | -91.7 | -44.7 | 0 | 0 | 0 | 111.1 | ||
| 262 | G | 75.6 | Confident | 76.3 | Confident | 70 Ų | 70 | 65.8 Ų | 65.8 | 72% | 0.722 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.8 | 3.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | K260 | K260-G262 PolarHBondContact O-N 3.03Š|
| 263 | A | 74.9 | Confident | 75.3 | Confident | 19 Ų | 19 | 68.6 Ų | 68.6 | 16% | 0.157 | 39% | 0.386 | C | S | . | . | trans | -53.8 | 138.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L199 W225 L259 K260 L265 | L199-A263 HydrophobicContact CD2-CB 4.5Å; W225-A263 HydrophobicContact CB-CB 4.15Å; W225-A263 HydrophobicContact CD2-CB 4.01Å; W225-A263 VanDerWaalsContact CE3-CA 3.46Å; W225-A263 HydrophobicContact CE3-CB 3.69Å; W225-A263 HydrophobicContact CG-CB 4.21Å; W225-A263 HydrophobicContact CZ3-CB 4.45Å; L259-A263 HydrophobicContact CD1-CB 3.5Å; L259-A263 VanDerWaalsContact CD1-CB 3.5Å; L259-A263 HydrophobicContact CG-CB 4.3Å; K260-A263 PolarHBondContact O-N 2.86Å; A263-L265 HydrophobicContact CB-CD2 4.48Å; A263-L265 HydrophobicContact CB-CG 4.49Å; A263-L265 PolarHBondContact O-N 3.36Å | ||
| 264 | P | 76.2 | Confident | 74.7 | Confident | 76 Ų | 76 | 67.2 Ų | 67.2 | 49% | 0.494 | 38% | 0.38 | S | S | . | . | trans | -82.3 | 47.6 | -167 | 34.9 | -38.7 | 0 | 0 | 0 | 113.8 | W225 R266 | W225-P264 VanDerWaalsContact CE2-CD 3.43Å; W225-P264 HydrophobicContact CZ2-CG 4.15Å; P264-R266 PolarHBondContact O-N 3.41Å | ||
| 265 | L | 72.4 | Confident | 74.1 | Confident | 51 Ų | 51 | 75.8 Ų | 75.8 | 27% | 0.267 | 41% | 0.412 | S | S | . | . | trans | -57.9 | 125.6 | -173.2 | -57.6 | -176.8 | 0 | 0 | 0 | 113 | A196 G198 L199 L259 A263 P267 | A196-L265 HydrophobicContact CB-CD2 4.14Å; G198-L265 WeakPolarHBondContact O-CA 3.44Å; L199-L265 HydrophobicContact CD2-CD2 3.83Å; L199-L265 HydrophobicContact CG-CD2 3.73Å; L259-L265 HydrophobicContact CD1-CD2 4.46Å; L259-L265 HydrophobicContact CD2-CD1 3.97Å; A263-L265 HydrophobicContact CB-CD2 4.48Å; A263-L265 HydrophobicContact CB-CG 4.49Å; A263-L265 PolarHBondContact O-N 3.36Å; L265-P267 VanDerWaalsContact O-CD 3.3Å; L265-P267 WeakPolarHBondContact O-CD 3.5Å | ||
| 266 | R | 64.4 | Low | 74 | Confident | 200 Ų | 200 | 75.8 Ų | 75.8 | 76% | 0.755 | 41% | 0.414 | S | S | * | . | trans | -115.8 | 66.3 | 171.8 | -60.9 | -175.2 | -173.1 | -179.4 | 4.4 | 111.9 | G198 P201 P264 K268 | G198-R266 PolarHBondContact O-N 2.89Å; P201-R266 HydrophobicContact CG-CB 4.42Å; P264-R266 PolarHBondContact O-N 3.41Å; R266-K268 PolarHBondContact O-N 3.21Å; R266-K268 VanDerWaalsContact O-N 3.09Å | ||
| 267 | P | 51.5 | Low | 74.1 | Confident | 47 Ų | 47 | 77.8 Ų | 77.8 | 31% | 0.305 | 41% | 0.412 | S | S | . | . | trans | -65.8 | 111.7 | -176.6 | 26.7 | -34.7 | 0 | 0 | 0 | 112 | L265 S269 | L265-P267 VanDerWaalsContact O-CD 3.3Å; L265-P267 WeakPolarHBondContact O-CD 3.5Å; P267-S269 PolarHBondContact O-N 3.41Å | ||
| 268 | K | 52.8 | Low | 73.9 | Confident | 102 Ų | 102 | 77.5 Ų | 77.5 | 44% | 0.443 | 41% | 0.412 | S | S | . | . | trans | -55.7 | 132.5 | 159.9 | -91.1 | 169.9 | 166 | 164.1 | 0 | 108.1 | D202 E205 R266 N270 | D202-K268 VanDerWaalsContact OD1-CE 3.26Å; D202-K268 WeakPolarHBondContact OD1-CE 3.47Å; D202-K268 IonicContact OD1-NZ 3.26Å; D202-K268 PolarHBondContact OD1-NZ 3.22Å; E205-K268 IonicContact OE1-NZ 2.8Å; E205-K268 PolarHBondContact OE1-NZ 2.91Å; E205-K268 IonicContact OE2-NZ 2.89Å; R266-K268 PolarHBondContact O-N 3.21Å; R266-K268 VanDerWaalsContact O-N 3.09Å; K268-N270 PolarHBondContact O-N 3.15Å | ||
| 269 | S | 59.2 | Low | 73.5 | Confident | 74 Ų | 74 | 74 Ų | 74 | 52% | 0.517 | 41% | 0.405 | S | S | . | . | trans | -63.3 | 108.7 | -171.5 | 58 | 0 | 0 | 0 | 0 | 112.1 | P267 A301 | P267-S269 PolarHBondContact O-N 3.41Å; S269-A301 WeakPolarHBondContact CA-O 3.24Å | ||
| 270 | N | 65.9 | Low | 73.5 | Confident | 54 Ų | 54 | 70.3 Ų | 70.3 | 29% | 0.289 | 39% | 0.386 | S | S | . | . | trans | -123.4 | 104.3 | -169.8 | -172.8 | -2.3 | 0 | 0 | 0 | 112.4 | K268 G272 L273 A301 | K268-N270 PolarHBondContact O-N 3.15Å; N270-G272 PolarHBondContact O-N 3.4Å; N270-G272 VanDerWaalsContact O-N 3.17Å; N270-G272 PolarHBondContact OD1-N 3.25Å; N270-L273 HydrophobicContact CB-CD1 4.06Å; N270-L273 HydrophobicContact CB-CG 4.26Å; N270-L273 PolarHBondContact O-N 3.5Å; N270-L273 VanDerWaalsContact O-N 3.11Å; N270-A301 PolarHBondContact N-O 2.91Å; N270-A301 WeakPolarHBondContact O-CB 3.23Å | ||
| 271 | P | 70.4 | Confident | 73.9 | Confident | 17 Ų | 17 | 67.7 Ų | 67.7 | 11% | 0.11 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -58.9 | -23.7 | 176.1 | -20.8 | 30.5 | 0 | 0 | 0 | 114.7 | L273 V274 F350 K353 I355 | P271-L273 PolarHBondContact O-N 2.73Å; P271-V274 PolarHBondContact O-N 2.84Å; P271-F350 HydrophobicContact CB-CB 4.48Å; P271-K353 HydrophobicContact CB-CB 4.32Å; P271-K353 HydrophobicContact CG-CB 3.69Å; P271-K353 HydrophobicContact CG-CD 4.26Å; P271-I355 HydrophobicContact CB-CG2 4.42Å; P271-I355 WeakPolarHBondContact O-CA 3.26Å; P271-I355 WeakPolarHBondContact O-CB 3.3Å |
| 272 | G | 74.2 | Confident | 74.2 | Confident | 38 Ų | 38 | 64.6 Ų | 64.6 | 39% | 0.392 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -71.3 | -15.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N270 | N270-G272 PolarHBondContact O-N 3.4Å; N270-G272 VanDerWaalsContact O-N 3.17Å; N270-G272 PolarHBondContact OD1-N 3.25Å |
| 273 | L | 72.4 | Confident | 74.4 | Confident | 62 Ų | 62 | 65 Ų | 65 | 33% | 0.325 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -98.6 | 2.3 | 177.4 | -63.8 | 175.4 | 0 | 0 | 0 | 113.2 | P197 N270 P271 S300 A301 | P197-L273 HydrophobicContact CB-CD1 3.7Å; P197-L273 HydrophobicContact CG-CD1 3.73Å; N270-L273 HydrophobicContact CB-CD1 4.06Å; N270-L273 HydrophobicContact CB-CG 4.26Å; N270-L273 PolarHBondContact O-N 3.5Å; N270-L273 VanDerWaalsContact O-N 3.11Å; P271-L273 PolarHBondContact O-N 2.73Å; L273-S300 VanDerWaalsContact CD1-O 3.28Å; L273-S300 WeakPolarHBondContact CD1-O 3.33Å; L273-A301 HydrophobicContact CB-CB 4.34Å |
| 274 | V | 79.9 | Confident | 74.4 | Confident | 7 Ų | 7 | 69.6 Ų | 69.6 | 4% | 0.042 | 36% | 0.362 | C | S | . | . | trans | -79.8 | 124.2 | 172.8 | 178.1 | 0 | 0 | 0 | 0 | 109.1 | P271 I296 D297 T298 A301 F350 I355 | P271-V274 PolarHBondContact O-N 2.84Å; V274-I296 HydrophobicContact CG1-CG2 3.42Å; V274-I296 VanDerWaalsContact CG1-CG2 3.42Å; V274-D297 WeakPolarHBondContact CA-O 3.29Å; V274-D297 WeakPolarHBondContact CG1-O 3.36Å; V274-T298 HydrophobicContact CG1-CG2 4.15Å; V274-T298 HydrophobicContact CG2-CG2 4.4Å; V274-A301 HydrophobicContact CB-CB 4.41Å; V274-A301 HydrophobicContact CG2-CB 3.32Å; V274-F350 HydrophobicContact CG2-CB 3.69Å; V274-F350 HydrophobicContact CG2-CD1 3.8Å; V274-F350 HydrophobicContact CG2-CD2 3.98Å; V274-F350 HydrophobicContact CG2-CE1 4.36Å; V274-F350 HydrophobicContact CG2-CG 3.56Å; V274-I355 HydrophobicContact CB-CB 4.14Å; V274-I355 HydrophobicContact CB-CD1 4.45Å; V274-I355 HydrophobicContact CB-CG2 3.69Å; V274-I355 HydrophobicContact CG1-CB 4.42Å; V274-I355 HydrophobicContact CG1-CD1 3.97Å; V274-I355 HydrophobicContact CG1-CG2 3.83Å; V274-I355 HydrophobicContact CG2-CG2 4.06Å | ||
| 275 | R | 82.1 | Confident | 74.2 | Confident | 183 Ų | 183 | 67.3 Ų | 67.3 | 69% | 0.691 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 116.8 | 178.2 | -75.2 | 178.3 | 163.6 | -176 | -6.7 | 110 | Y277 I296 D297 | R275-Y277 HydrophobicContact CB-CD1 4.33Å; R275-I296 CarbonylContact O-C 3.17Å; R275-I296 WeakPolarHBondContact O-CA 3.48Å; R275-D297 HydrophobicContact CB-CB 4.34Å; R275-D297 PolarHBondContact N-O 2.74Å; R275-D297 PolarHBondContact O-N 2.92Å |
| 276 | A | 86.8 | Confident | 74.6 | Confident | 18 Ų | 18 | 65.5 Ų | 65.5 | 15% | 0.149 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 128.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110 | L281 T295 I296 I348 I355 F360 | A276-L281 HydrophobicContact CB-CD1 3.6Å; A276-T295 CarbonylContact C-O 3.47Å; A276-T295 WeakPolarHBondContact CA-O 3.38Å; A276-I296 HydrophobicContact CB-CG1 4.11Å; A276-I348 HydrophobicContact CB-CD1 3.58Å; A276-I355 HydrophobicContact CB-CD1 3.63Å; A276-F360 HydrophobicContact CB-CE2 4.39Å; A276-F360 HydrophobicContact CB-CZ 4.14Å |
| 277 | Y | 85.4 | Confident | 75.2 | Confident | 111 Ų | 111 | 56.5 Ų | 56.5 | 44% | 0.435 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 153.4 | -170.9 | 58 | -91.3 | 0 | 0 | 0 | 113 | R275 F294 T295 D297 | R275-Y277 HydrophobicContact CB-CD1 4.33Å; Y277-F294 WeakPolarHBondContact O-CA 3.42Å; Y277-F294 WeakPolarHBondContact O-CB 3.34Å; Y277-T295 HydrophobicContact CE1-CG2 4.46Å; Y277-T295 HydrophobicContact CE2-CG2 4.34Å; Y277-T295 PolarHBondContact N-O 3.47Å; Y277-T295 PolarHBondContact O-N 2.87Å; Y277-D297 HydrophobicContact CE1-CB 4.09Å |
| 278 | G | 82.1 | Confident | 76.5 | Confident | 24 Ų | 24 | 57.3 Ų | 57.3 | 25% | 0.247 | 32% | 0.315 | C | S | . | . | S | Bend | trans | 121.6 | 168 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | G280 L281 R293 | G278-G280 VanDerWaalsContact C-N 3.26Å; G278-G280 PolarHBondContact O-N 3.27Å; G278-L281 PolarHBondContact O-N 2.85Å; G278-R293 CarbonylContact C-O 3.44Å |
| 279 | P | 74.8 | Confident | 77.6 | Confident | 82 Ų | 82 | 54.8 Ų | 54.8 | 53% | 0.532 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -52.3 | -37.6 | -164.7 | -31.2 | 36.4 | 0 | 0 | 0 | 115 | L281 E282 N286 R293 | P279-L281 PolarHBondContact O-N 2.72Å; P279-E282 PolarHBondContact O-N 3.1Å; P279-N286 PolarHBondContact O-ND2 2.62Å; P279-N286 PolarHBondContact O-OD1 3.15Å; P279-R293 WeakPolarHBondContact CD-O 3.34Å |
| 280 | G | 85 | Confident | 78.3 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -67.4 | -2.7 | -179 | 0 | 0 | 0 | 0 | 0 | 116.3 | G278 R293 Y336 | G278-G280 VanDerWaalsContact C-N 3.26Å; G278-G280 PolarHBondContact O-N 3.27Å; G280-R293 PolarHBondContact N-O 3.1Å; G280-Y336 VanDerWaalsContact O-CE1 3.3Å; G280-Y336 WeakPolarHBondContact O-CE1 3.19Å; G280-Y336 PolarHBondContact O-OH 3.25Å |
| 281 | L | 90.2 | Very high | 79 | Confident | 13 Ų | 13 | 56.6 Ų | 56.6 | 7% | 0.068 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -115.7 | -3.3 | 172.9 | -59.6 | 177.7 | 0 | 0 | 0 | 113.2 | A276 G278 P279 F294 V346 I348 F360 | A276-L281 HydrophobicContact CB-CD1 3.6Å; G278-L281 PolarHBondContact O-N 2.85Å; P279-L281 PolarHBondContact O-N 2.72Å; L281-F294 HydrophobicContact CD1-CB 3.97Å; L281-F294 HydrophobicContact CD1-CD2 3.57Å; L281-F294 HydrophobicContact CD1-CE2 4.14Å; L281-F294 HydrophobicContact CD1-CG 3.83Å; L281-F294 HydrophobicContact CD2-CD1 4.01Å; L281-F294 HydrophobicContact CD2-CD2 4.12Å; L281-F294 HydrophobicContact CD2-CE1 4.04Å; L281-F294 HydrophobicContact CD2-CE2 4.14Å; L281-F294 HydrophobicContact CD2-CG 4.04Å; L281-F294 HydrophobicContact CD2-CZ 4.09Å; L281-F294 HydrophobicContact CG-CB 3.78Å; L281-F294 HydrophobicContact CG-CD1 3.99Å; L281-F294 HydrophobicContact CG-CD2 3.85Å; L281-F294 HydrophobicContact CG-CE1 4.5Å; L281-F294 HydrophobicContact CG-CE2 4.37Å; L281-F294 HydrophobicContact CG-CG 3.62Å; L281-V346 HydrophobicContact CD2-CB 3.79Å; L281-V346 HydrophobicContact CD2-CG1 3.64Å; L281-V346 HydrophobicContact CD2-CG2 4.14Å; L281-I348 HydrophobicContact CD1-CD1 3.92Å; L281-I348 HydrophobicContact CD2-CD1 4.02Å; L281-F360 HydrophobicContact CB-CD1 4.03Å; L281-F360 HydrophobicContact CB-CG 4.34Å; L281-F360 HydrophobicContact CD1-CD1 4.39Å; L281-F360 HydrophobicContact CD1-CE1 4.31Å; L281-F360 HydrophobicContact CD1-CZ 4.41Å; L281-F360 HydrophobicContact CD2-CB 4.08Å; L281-F360 HydrophobicContact CD2-CD1 4.49Å; L281-F360 HydrophobicContact CD2-CD2 4.18Å; L281-F360 HydrophobicContact CD2-CG 4Å |
| 282 | E | 82.2 | Confident | 79.8 | Confident | 108 Ų | 108 | 55.8 Ų | 55.8 | 51% | 0.505 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -70.9 | 143.3 | 179.7 | -69.2 | -178.5 | -155.9 | 0 | 0 | 111.1 | P279 H284 N286 | P279-E282 PolarHBondContact O-N 3.1Å; E282-H284 PolarHBondContact O-N 2.91Å; E282-H284 VanDerWaalsContact O-N 3.12Å; E282-N286 PolarHBondContact O-ND2 2.69Å |
| 283 | P | 80 | Confident | 80.5 | Confident | 78 Ų | 78 | 62 Ų | 62 | 51% | 0.506 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -61.4 | -25.4 | -172.7 | -26.5 | 35.4 | 0 | 0 | 0 | 115.3 | K361 M363 | P283-K361 WeakPolarHBondContact CA-O 3.18Å; P283-M363 VanDerWaalsContact O-CB 3.3Å; P283-M363 WeakPolarHBondContact O-CB 3.28Å; P283-M363 PolarHBondContact O-N 3.09Å |
| 284 | H | 75.2 | Confident | 81.5 | Confident | 116 Ų | 116 | 59.3 Ų | 59.3 | 54% | 0.537 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -139 | 174.4 | -174.8 | -56.6 | -29.7 | 0 | 0 | 0 | 109.9 | E282 N286 | E282-H284 PolarHBondContact O-N 2.91Å; E282-H284 VanDerWaalsContact O-N 3.12Å; H284-N286 VanDerWaalsContact C-N 3.26Å; H284-N286 PolarHBondContact O-N 2.81Å |
| 285 | G | 71 | Confident | 82 | Confident | 29 Ų | 29 | 60.6 Ų | 60.6 | 30% | 0.299 | 33% | 0.325 | S | S | . | . | trans | 80.6 | -12.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | E365 Q368 | G285-E365 PolarHBondContact N-OE2 2.99Å; G285-Q368 PolarHBondContact O-NE2 2.91Å | ||
| 286 | N | 80.9 | Confident | 82.5 | Confident | 12 Ų | 12 | 51.9 Ų | 51.9 | 6% | 0.064 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 138.2 | 164 | -74.2 | -81.4 | 0 | 0 | 0 | 109.5 | P279 E282 H284 A292 V362 V364 E365 | P279-N286 PolarHBondContact O-ND2 2.62Å; P279-N286 PolarHBondContact O-OD1 3.15Å; E282-N286 PolarHBondContact O-ND2 2.69Å; H284-N286 VanDerWaalsContact C-N 3.26Å; H284-N286 PolarHBondContact O-N 2.81Å; N286-A292 VanDerWaalsContact OD1-CB 3.3Å; N286-A292 WeakPolarHBondContact OD1-CB 3.12Å; N286-V362 HydrophobicContact CB-CG1 3.77Å; N286-V362 WeakPolarHBondContact ND2-CG1 3.37Å; N286-V364 HydrophobicContact CB-CG2 4.25Å; N286-V364 WeakPolarHBondContact O-CA 3.45Å; N286-E365 PolarHBondContact O-N 3.35Å |
| 287 | T | 77.4 | Confident | 82.5 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 148.2 | -172.8 | 46.8 | 0 | 0 | 0 | 0 | 112.4 | G289 N290 E365 G366 Q368 | T287-G289 PolarHBondContact O-N 3.18Å; T287-N290 PolarHBondContact O-N 2.77Å; T287-N290 VanDerWaalsContact O-N 3.12Å; T287-N290 PolarHBondContact OG1-ND2 3.02Å; T287-E365 WeakPolarHBondContact CA-O 3.3Å; T287-E365 HydrophobicContact CG2-CB 4.49Å; T287-G366 WeakPolarHBondContact CG2-O 3.31Å; T287-Q368 HydrophobicContact CG2-CG 4.02Å |
| 288 | V | 79.5 | Confident | 82.5 | Confident | 65 Ų | 65 | 47 Ų | 47 | 39% | 0.394 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 125 | -175.6 | -174.7 | 0 | 0 | 0 | 0 | 111.5 | Q340 E341 V364 E365 | V288-Q340 VanDerWaalsContact CG2-C 3.44Å; V288-E341 HydrophobicContact CG2-CB 4.28Å; V288-V364 HydrophobicContact CG2-CG1 3.77Å; V288-E365 PolarHBondContact N-O 3.2Å |
| 289 | G | 74.6 | Confident | 82.3 | Confident | 48 Ų | 48 | 50.3 Ų | 50.3 | 50% | 0.495 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | -10 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | T287 P338 | T287-G289 PolarHBondContact O-N 3.18Å; G289-P338 PolarHBondContact N-O 3.14Å |
| 290 | N | 74.2 | Confident | 81.9 | Confident | 97 Ų | 97 | 48.6 Ų | 48.6 | 52% | 0.519 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -93.5 | 133.9 | 177.5 | -76.9 | -45.3 | 0 | 0 | 0 | 111.6 | T287 A292 P338 | T287-N290 PolarHBondContact O-N 2.77Å; T287-N290 VanDerWaalsContact O-N 3.12Å; T287-N290 PolarHBondContact OG1-ND2 3.02Å; N290-A292 PolarHBondContact O-N 2.96Å; N290-A292 VanDerWaalsContact O-N 3.11Å; N290-P338 VanDerWaalsContact O-CD 3.25Å; N290-P338 WeakPolarHBondContact O-CD 3.31Å |
| 291 | P | 81.7 | Confident | 81 | Confident | 69 Ų | 69 | 48.6 Ų | 48.6 | 45% | 0.448 | 27% | 0.269 | S | S | . | . | trans | -63.3 | 112.5 | -178.5 | -24.2 | 34.4 | 0 | 0 | 0 | 114 | R293 Y336 V337 | P291-R293 HydrophobicContact CB-CG 4.45Å; P291-R293 PolarHBondContact O-N 2.83Å; P291-Y336 CarbonylContact C-O 3.54Å; P291-Y336 WeakPolarHBondContact CA-O 3.29Å; P291-V337 HydrophobicContact CB-CG2 4.29Å; P291-V337 HydrophobicContact CG-CG2 4.2Å | ||
| 292 | A | 85.9 | Confident | 79.9 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 100.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | N286 N290 A335 Y336 | N286-A292 VanDerWaalsContact OD1-CB 3.3Å; N286-A292 WeakPolarHBondContact OD1-CB 3.12Å; N290-A292 PolarHBondContact O-N 2.96Å; N290-A292 VanDerWaalsContact O-N 3.11Å; A292-A335 WeakPolarHBondContact O-CA 3.27Å; A292-Y336 HydrophobicContact CB-CD1 3.9Å; A292-Y336 HydrophobicContact CB-CD2 3.97Å; A292-Y336 HydrophobicContact CB-CE1 3.54Å; A292-Y336 HydrophobicContact CB-CE2 3.64Å; A292-Y336 HydrophobicContact CB-CG 4.1Å; A292-Y336 PolarHBondContact N-O 2.84Å; A292-Y336 PolarHBondContact O-N 3.36Å |
| 293 | R | 89.8 | Confident | 79.2 | Confident | 169 Ų | 169 | 53.8 Ų | 53.8 | 64% | 0.638 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 140 | -173.6 | -66.3 | 176.1 | 179.7 | -117.3 | -0.6 | 112.3 | G278 P279 G280 P291 C334 A335 | G278-R293 CarbonylContact C-O 3.44Å; P279-R293 WeakPolarHBondContact CD-O 3.34Å; G280-R293 PolarHBondContact N-O 3.1Å; P291-R293 HydrophobicContact CB-CG 4.45Å; P291-R293 PolarHBondContact O-N 2.83Å; R293-C334 WeakPolarHBondContact CA-O 3.32Å; R293-A335 HydrophobicContact CG-CB 4.07Å |
| 294 | F | 93.7 | Very high | 78.8 | Confident | 6 Ų | 6 | 51.3 Ų | 51.3 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 168.9 | 174.9 | 64.8 | -88.1 | 0 | 0 | 0 | 111.6 | Y277 L281 I296 V308 C334 Y336 V346 I348 | Y277-F294 WeakPolarHBondContact O-CA 3.42Å; Y277-F294 WeakPolarHBondContact O-CB 3.34Å; L281-F294 HydrophobicContact CD1-CB 3.97Å; L281-F294 HydrophobicContact CD1-CD2 3.57Å; L281-F294 HydrophobicContact CD1-CE2 4.14Å; L281-F294 HydrophobicContact CD1-CG 3.83Å; L281-F294 HydrophobicContact CD2-CD1 4.01Å; L281-F294 HydrophobicContact CD2-CD2 4.12Å; L281-F294 HydrophobicContact CD2-CE1 4.04Å; L281-F294 HydrophobicContact CD2-CE2 4.14Å; L281-F294 HydrophobicContact CD2-CG 4.04Å; L281-F294 HydrophobicContact CD2-CZ 4.09Å; L281-F294 HydrophobicContact CG-CB 3.78Å; L281-F294 HydrophobicContact CG-CD1 3.99Å; L281-F294 HydrophobicContact CG-CD2 3.85Å; L281-F294 HydrophobicContact CG-CE1 4.5Å; L281-F294 HydrophobicContact CG-CE2 4.37Å; L281-F294 HydrophobicContact CG-CG 3.62Å; F294-I296 HydrophobicContact CD2-CG1 4.18Å; F294-I296 HydrophobicContact CE2-CD1 4.02Å; F294-I296 HydrophobicContact CE2-CG1 3.91Å; F294-V308 HydrophobicContact CZ-CG1 3.96Å; F294-V308 HydrophobicContact CZ-CG2 4.5Å; F294-C334 HydrophobicContact CD1-CB 4.02Å; F294-C334 HydrophobicContact CD2-CB 3.71Å; F294-C334 HydrophobicContact CE1-CB 3.73Å; F294-C334 HydrophobicContact CE2-CB 3.41Å; F294-C334 VanDerWaalsContact CE2-CB 3.41Å; F294-C334 HydrophobicContact CG-CB 4.01Å; F294-C334 HydrophobicContact CZ-CB 3.43Å; F294-C334 VanDerWaalsContact CZ-CB 3.43Å; F294-C334 PolarHBondContact N-O 3.31Å; F294-C334 WeakPolarHBondContact O-CA 3.46Å; F294-C334 PolarHBondContact O-N 2.89Å; F294-Y336 HydrophobicContact CD1-CE1 4.37Å; F294-Y336 HydrophobicContact CE1-CD1 4.02Å; F294-Y336 HydrophobicContact CE1-CE1 4.03Å; F294-V346 HydrophobicContact CE1-CG1 4.18Å; F294-V346 HydrophobicContact CZ-CG1 3.92Å; F294-I348 HydrophobicContact CD2-CD1 4.29Å; F294-I348 HydrophobicContact CE2-CD1 3.55Å; F294-I348 HydrophobicContact CE2-CG1 4.41Å; F294-I348 HydrophobicContact CZ-CD1 4.12Å |
| 295 | T | 89.9 | Confident | 79 | Confident | 34 Ų | 34 | 49.3 Ų | 49.3 | 21% | 0.209 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 146.2 | 178.9 | -58 | 0 | 0 | 0 | 0 | 109.7 | A276 Y277 Y332 | A276-T295 CarbonylContact C-O 3.47Å; A276-T295 WeakPolarHBondContact CA-O 3.38Å; Y277-T295 HydrophobicContact CE1-CG2 4.46Å; Y277-T295 HydrophobicContact CE2-CG2 4.34Å; Y277-T295 PolarHBondContact N-O 3.47Å; Y277-T295 PolarHBondContact O-N 2.87Å; T295-Y332 CarbonylContact C-O 3.33Å; T295-Y332 WeakPolarHBondContact CA-O 3.31Å |
| 296 | I | 92.3 | Very high | 79.7 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 123.2 | 169.7 | -54.2 | 168.6 | 0 | 0 | 0 | 108.3 | V274 R275 A276 F294 T298 V306 V308 T331 Y332 I348 | V274-I296 HydrophobicContact CG1-CG2 3.42Å; V274-I296 VanDerWaalsContact CG1-CG2 3.42Å; R275-I296 CarbonylContact O-C 3.17Å; R275-I296 WeakPolarHBondContact O-CA 3.48Å; A276-I296 HydrophobicContact CB-CG1 4.11Å; F294-I296 HydrophobicContact CD2-CG1 4.18Å; F294-I296 HydrophobicContact CE2-CD1 4.02Å; F294-I296 HydrophobicContact CE2-CG1 3.91Å; I296-T298 HydrophobicContact CG2-CG2 4.03Å; I296-V306 HydrophobicContact CD1-CG1 3.62Å; I296-V308 HydrophobicContact CD1-CG2 3.73Å; I296-T331 CarbonylContact O-C 3.5Å; I296-T331 VanDerWaalsContact O-CA 3.28Å; I296-T331 WeakPolarHBondContact O-CA 3.34Å; I296-Y332 PolarHBondContact N-O 3.13Å; I296-Y332 PolarHBondContact O-N 2.79Å; I296-I348 HydrophobicContact CD1-CD1 4.27Å; I296-I348 HydrophobicContact CD1-CG2 3.67Å; I296-I348 HydrophobicContact CG1-CD1 4.37Å; I296-I348 HydrophobicContact CG1-CG2 4.38Å |
| 297 | D | 87.7 | Confident | 80.1 | Confident | 25 Ų | 25 | 52.5 Ų | 52.5 | 13% | 0.134 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 124.4 | 171.2 | 166.9 | 12.8 | 0 | 0 | 0 | 109.2 | V274 R275 Y277 F299 T331 | V274-D297 WeakPolarHBondContact CA-O 3.29Å; V274-D297 WeakPolarHBondContact CG1-O 3.36Å; R275-D297 HydrophobicContact CB-CB 4.34Å; R275-D297 PolarHBondContact N-O 2.74Å; R275-D297 PolarHBondContact O-N 2.92Å; Y277-D297 HydrophobicContact CE1-CB 4.09Å; D297-F299 WeakPolarHBondContact OD1-CB 3.45Å; D297-F299 PolarHBondContact OD1-N 2.86Å; D297-T331 HydrophobicContact CB-CG2 4.36Å |
| 298 | T | 84.8 | Confident | 80.8 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | trans | -115.5 | 10.5 | 177.1 | 75.1 | 0 | 0 | 0 | 0 | 113.7 | V274 I296 S300 A301 V306 Q330 Y332 F350 | V274-T298 HydrophobicContact CG1-CG2 4.15Å; V274-T298 HydrophobicContact CG2-CG2 4.4Å; I296-T298 HydrophobicContact CG2-CG2 4.03Å; T298-S300 PolarHBondContact O-N 3.37Å; T298-A301 PolarHBondContact O-N 2.64Å; T298-A301 VanDerWaalsContact O-N 3.12Å; T298-V306 HydrophobicContact CG2-CG2 3.84Å; T298-Q330 PolarHBondContact OG1-O 3.07Å; T298-Y332 HydrophobicContact CG2-CD2 4.16Å; T298-Y332 HydrophobicContact CG2-CE2 3.84Å; T298-F350 HydrophobicContact CG2-CD2 3.84Å; T298-F350 HydrophobicContact CG2-CE2 3.72Å | ||
| 299 | F | 77.9 | Confident | 81.4 | Confident | 93 Ų | 93 | 50.4 Ų | 50.4 | 41% | 0.408 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -55.9 | -53.9 | -174.9 | -174.8 | -100.8 | 0 | 0 | 0 | 112.2 | D297 A301 K328 Q329 | D297-F299 WeakPolarHBondContact OD1-CB 3.45Å; D297-F299 PolarHBondContact OD1-N 2.86Å; F299-A301 PolarHBondContact O-N 2.77Å; F299-K328 VanDerWaalsContact CD2-O 3.3Å; F299-K328 WeakPolarHBondContact CD2-O 3.45Å; F299-K328 WeakPolarHBondContact CE2-O 3.01Å; F299-Q329 WeakPolarHBondContact CB-O 3.42Å |
| 300 | S | 65.8 | Low | 82.2 | Confident | 47 Ų | 47 | 48.2 Ų | 48.2 | 33% | 0.329 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -73 | -8.3 | -179.8 | -57.4 | 0 | 0 | 0 | 0 | 114.2 | L273 T298 | L273-S300 VanDerWaalsContact CD1-O 3.28Å; L273-S300 WeakPolarHBondContact CD1-O 3.33Å; T298-S300 PolarHBondContact O-N 3.37Å |
| 301 | A | 67.1 | Low | 83 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -93.5 | -6.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S269 N270 L273 V274 T298 F299 F350 | S269-A301 WeakPolarHBondContact CA-O 3.24Å; N270-A301 PolarHBondContact N-O 2.91Å; N270-A301 WeakPolarHBondContact O-CB 3.23Å; L273-A301 HydrophobicContact CB-CB 4.34Å; V274-A301 HydrophobicContact CB-CB 4.41Å; V274-A301 HydrophobicContact CG2-CB 3.32Å; T298-A301 PolarHBondContact O-N 2.64Å; T298-A301 VanDerWaalsContact O-N 3.12Å; F299-A301 PolarHBondContact O-N 2.77Å; A301-F350 HydrophobicContact CB-CD1 4.22Å; A301-F350 HydrophobicContact CB-CE1 3.71Å; A301-F350 HydrophobicContact CB-CZ 3.9Å; A301-F350 WeakPolarHBondContact O-CE1 3.35Å |
| 302 | G | 65.8 | Low | 83.4 | Confident | 5 Ų | 5 | 42.5 Ų | 42.5 | 5% | 0.052 | 22% | 0.215 | C | C | . | . | trans | 82.6 | -151.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 303 | R | 67.7 | Low | 83.4 | Confident | 224 Ų | 224 | 45 Ų | 45 | 85% | 0.845 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -99.4 | 128.3 | 178.5 | -70.9 | -174 | 175.6 | -172.6 | 0.9 | 111.5 | ||
| 304 | G | 71.7 | Confident | 83.1 | Confident | 26 Ų | 26 | 43.9 Ų | 43.9 | 27% | 0.268 | 23% | 0.231 | S | C | . | . | trans | -168.9 | 159.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F350 | G304-F350 VanDerWaalsContact N-CZ 3.28Å; G304-F350 WeakPolarHBondContact O-CE2 3.16Å | ||
| 305 | A | 79 | Confident | 82.5 | Confident | 75 Ų | 75 | 46.2 Ų | 46.2 | 62% | 0.62 | 26% | 0.256 | S | S | * | . | trans | -85 | 138.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | F350 A351 | A305-F350 WeakPolarHBondContact O-CA 3.36Å; A305-A351 PolarHBondContact O-N 3.44Å | ||
| 306 | V | 86.2 | Confident | 82.3 | Confident | 29 Ų | 29 | 50 Ų | 50 | 18% | 0.176 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 128.9 | 175 | 176 | 0 | 0 | 0 | 0 | 110 | I296 T298 V308 Y332 K349 F350 | I296-V306 HydrophobicContact CD1-CG1 3.62Å; T298-V306 HydrophobicContact CG2-CG2 3.84Å; V306-V308 HydrophobicContact CG1-CG2 4.23Å; V306-Y332 HydrophobicContact CB-CE1 4.43Å; V306-Y332 HydrophobicContact CG2-CD2 3.97Å; V306-Y332 HydrophobicContact CG2-CE1 4.24Å; V306-Y332 HydrophobicContact CG2-CE2 3.69Å; V306-Y332 HydrophobicContact CG2-CG 4.38Å; V306-K349 WeakPolarHBondContact CA-O 3.29Å; V306-F350 HydrophobicContact CG2-CD2 4.08Å |
| 307 | E | 90.1 | Very high | 82.1 | Confident | 78 Ų | 78 | 57.9 Ų | 57.9 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 128.1 | 167.8 | -177 | -166.1 | -164.9 | 0 | 0 | 108.5 | I309 R317 K349 | E307-I309 HydrophobicContact CG-CD1 4.44Å; E307-I309 HydrophobicContact CG-CG1 4.09Å; E307-I309 WeakPolarHBondContact OE1-CD1 3.41Å; E307-R317 IonicContact OE1-NH2 3.91Å; E307-K349 HydrophobicContact CB-CB 4.26Å; E307-K349 PolarHBondContact N-O 3.22Å; E307-K349 PolarHBondContact O-N 3.21Å; E307-K349 WeakPolarHBondContact OE2-CD 3.47Å; E307-K349 IonicContact OE2-NZ 2.93Å; E307-K349 PolarHBondContact OE2-NZ 3.13Å |
| 308 | V | 92.2 | Very high | 81.9 | Confident | 23 Ų | 23 | 58.3 Ų | 58.3 | 14% | 0.139 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 133.1 | 171.9 | 179.6 | 0 | 0 | 0 | 0 | 109.1 | F294 I296 V306 V310 C320 V322 V346 I347 I348 | F294-V308 HydrophobicContact CZ-CG1 3.96Å; F294-V308 HydrophobicContact CZ-CG2 4.5Å; I296-V308 HydrophobicContact CD1-CG2 3.73Å; V306-V308 HydrophobicContact CG1-CG2 4.23Å; V308-V310 HydrophobicContact CG1-CG2 4.34Å; V308-C320 HydrophobicContact CG1-CB 4.13Å; V308-V322 HydrophobicContact CB-CG2 3.85Å; V308-V322 HydrophobicContact CG2-CG2 3.71Å; V308-V346 HydrophobicContact CG1-CG1 4.13Å; V308-I347 WeakPolarHBondContact CA-O 3.44Å; V308-I348 HydrophobicContact CG2-CG1 4.45Å |
| 309 | I | 91.3 | Very high | 81.9 | Confident | 10 Ų | 10 | 63.2 Ų | 63.2 | 5% | 0.051 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 107 | 175.6 | -48.4 | 158.2 | 0 | 0 | 0 | 108.4 | E307 L311 R317 I347 | E307-I309 HydrophobicContact CG-CD1 4.44Å; E307-I309 HydrophobicContact CG-CG1 4.09Å; E307-I309 WeakPolarHBondContact OE1-CD1 3.41Å; I309-L311 HydrophobicContact CG2-CD2 4.06Å; I309-L311 HydrophobicContact CG2-CG 4.38Å; I309-R317 VanDerWaalsContact CD1-NH2 3.34Å; I309-R317 HydrophobicContact CG2-CG 3.83Å; I309-I347 HydrophobicContact CB-CB 4.14Å; I309-I347 HydrophobicContact CB-CD1 4.35Å; I309-I347 HydrophobicContact CD1-CG2 4.23Å; I309-I347 HydrophobicContact CG2-CD1 4.49Å; I309-I347 PolarHBondContact N-O 2.93Å; I309-I347 PolarHBondContact O-N 2.87Å |
| 310 | V | 92.4 | Very high | 82.5 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 126.9 | 171.3 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | V308 R317 E318 C320 Y336 Y344 V346 | V308-V310 HydrophobicContact CG1-CG2 4.34Å; V310-R317 VanDerWaalsContact O-CA 3.31Å; V310-R317 WeakPolarHBondContact O-CA 3.32Å; V310-E318 HydrophobicContact CB-CB 4.3Å; V310-E318 HydrophobicContact CG1-CB 4.03Å; V310-E318 PolarHBondContact O-N 3.36Å; V310-C320 HydrophobicContact CG2-CB 3.8Å; V310-Y336 HydrophobicContact CB-CG 4.44Å; V310-Y336 HydrophobicContact CG1-CD2 3.71Å; V310-Y336 HydrophobicContact CG1-CE2 3.96Å; V310-Y336 HydrophobicContact CG1-CG 4.01Å; V310-Y336 HydrophobicContact CG2-CD1 3.72Å; V310-Y336 HydrophobicContact CG2-CD2 4.34Å; V310-Y336 HydrophobicContact CG2-CE1 4.25Å; V310-Y336 HydrophobicContact CG2-CG 3.77Å; V310-Y344 HydrophobicContact CG1-CD1 3.86Å; V310-Y344 HydrophobicContact CG1-CE1 4.44Å; V310-V346 HydrophobicContact CG2-CG1 4.1Å; V310-V346 HydrophobicContact CG2-CG2 4.24Å |
| 311 | L | 90.3 | Very high | 83.5 | Confident | 39 Ų | 39 | 63.5 Ų | 63.5 | 20% | 0.204 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129.2 | 171.1 | -58.2 | 176.6 | 0 | 0 | 0 | 109.5 | I309 Q316 R317 Y344 R345 I347 | I309-L311 HydrophobicContact CG2-CD2 4.06Å; I309-L311 HydrophobicContact CG2-CG 4.38Å; L311-Q316 WeakPolarHBondContact CA-O 3.34Å; L311-R317 HydrophobicContact CD2-CB 4.48Å; L311-R317 HydrophobicContact CD2-CG 3.69Å; L311-Y344 CarbonylContact O-C 3.58Å; L311-Y344 VanDerWaalsContact O-CA 3.31Å; L311-Y344 WeakPolarHBondContact O-CA 3.46Å; L311-R345 HydrophobicContact CB-CB 4.34Å; L311-R345 PolarHBondContact N-O 2.85Å; L311-R345 PolarHBondContact O-N 3.47Å; L311-I347 HydrophobicContact CD1-CD1 3.83Å; L311-I347 HydrophobicContact CG-CD1 4.33Å |
| 312 | N | 90 | Very high | 84.6 | Confident | 8 Ų | 8 | 66.2 Ų | 66.2 | 4% | 0.043 | 36% | 0.355 | C | S | . | . | trans | -77.4 | 173 | 170.5 | 75.7 | 20.4 | 0 | 0 | 0 | 111.5 | K314 G315 Q316 E318 Y344 | N312-K314 PolarHBondContact O-N 2.86Å; N312-K314 WeakPolarHBondContact OD1-CB 3.44Å; N312-K314 PolarHBondContact OD1-N 2.85Å; N312-G315 WeakPolarHBondContact O-CA 3.39Å; N312-G315 PolarHBondContact O-N 3.37Å; N312-Q316 PolarHBondContact N-O 3.39Å; N312-Q316 PolarHBondContact OD1-N 3.41Å; N312-E318 HydrophobicContact CB-CG 3.8Å; N312-E318 PolarHBondContact ND2-OE1 2.86Å; N312-Y344 HydrophobicContact CB-CD1 4.22Å; N312-Y344 HydrophobicContact CB-CE1 3.61Å; N312-Y344 HydrophobicContact CB-CE2 4.31Å | ||
| 313 | P | 84.8 | Confident | 85.4 | Confident | 53 Ų | 53 | 71.5 Ų | 71.5 | 34% | 0.344 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -9 | -175.9 | -24.1 | 34.2 | 0 | 0 | 0 | 115.2 | E341 E343 Y344 | P313-E341 WeakPolarHBondContact CG-O 3.44Å; P313-E343 WeakPolarHBondContact CA-O 3.33Å; P313-E343 WeakPolarHBondContact CG-O 3.4Å; P313-Y344 HydrophobicContact CG-CD2 3.94Å; P313-Y344 HydrophobicContact CG-CE2 3.9Å |
| 314 | K | 83.9 | Confident | 86.2 | Confident | 145 Ų | 145 | 63.4 Ų | 63.4 | 63% | 0.63 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 5.7 | 172.4 | -63.2 | 167.7 | -179 | 146.4 | 0 | 112.4 | N312 Q316 | N312-K314 PolarHBondContact O-N 2.86Å; N312-K314 WeakPolarHBondContact OD1-CB 3.44Å; N312-K314 PolarHBondContact OD1-N 2.85Å; K314-Q316 VanDerWaalsContact C-N 3.26Å; K314-Q316 HydrophobicContact CB-CG 4.22Å; K314-Q316 PolarHBondContact O-N 2.89Å |
| 315 | G | 82.6 | Confident | 86.5 | Confident | 54 Ų | 54 | 65.4 Ų | 65.4 | 56% | 0.557 | 36% | 0.364 | S | S | * | . | S | Bend | trans | 72.7 | 13 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | N312 | N312-G315 WeakPolarHBondContact O-CA 3.39Å; N312-G315 PolarHBondContact O-N 3.37Å |
| 316 | Q | 84.2 | Confident | 86.4 | Confident | 114 Ų | 114 | 68.7 Ų | 68.7 | 53% | 0.533 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -86.5 | 140 | 179.5 | -59 | 176.6 | -40.3 | 0 | 0 | 109.8 | L311 N312 K314 E318 | L311-Q316 WeakPolarHBondContact CA-O 3.34Å; N312-Q316 PolarHBondContact N-O 3.39Å; N312-Q316 PolarHBondContact OD1-N 3.41Å; K314-Q316 VanDerWaalsContact C-N 3.26Å; K314-Q316 HydrophobicContact CB-CG 4.22Å; K314-Q316 PolarHBondContact O-N 2.89Å; Q316-E318 PolarHBondContact O-N 2.9Å |
| 317 | R | 87.7 | Confident | 85.9 | Confident | 166 Ų | 166 | 70.4 Ų | 70.4 | 63% | 0.626 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 125.8 | 174.5 | -76.4 | -171.6 | 176.9 | -146.7 | -1.9 | 110.3 | E307 I309 V310 L311 | E307-R317 IonicContact OE1-NH2 3.91Å; I309-R317 VanDerWaalsContact CD1-NH2 3.34Å; I309-R317 HydrophobicContact CG2-CG 3.83Å; V310-R317 VanDerWaalsContact O-CA 3.31Å; V310-R317 WeakPolarHBondContact O-CA 3.32Å; L311-R317 HydrophobicContact CD2-CB 4.48Å; L311-R317 HydrophobicContact CD2-CG 3.69Å |
| 318 | E | 84 | Confident | 84.7 | Confident | 33 Ų | 33 | 76.1 Ų | 76.1 | 15% | 0.154 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 150.1 | 169 | -63.7 | -76.1 | -169.9 | 0 | 0 | 109.7 | V310 N312 Q316 C320 T339 Y344 | V310-E318 HydrophobicContact CB-CB 4.3Å; V310-E318 HydrophobicContact CG1-CB 4.03Å; V310-E318 PolarHBondContact O-N 3.36Å; N312-E318 HydrophobicContact CB-CG 3.8Å; N312-E318 PolarHBondContact ND2-OE1 2.86Å; Q316-E318 PolarHBondContact O-N 2.9Å; E318-C320 PolarHBondContact O-N 3.26Å; E318-T339 PolarHBondContact OE1-OG1 3.21Å; E318-Y344 HydrophobicContact CG-CE1 4.05Å |
| 319 | P | 85.7 | Confident | 83.5 | Confident | 105 Ų | 105 | 80.4 Ų | 80.4 | 68% | 0.682 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 133.2 | 175 | 28.8 | -33.5 | 0 | 0 | 0 | 110.7 | Y336 | P319-Y336 WeakPolarHBondContact O-CB 3.28Š|
| 320 | C | 90.7 | Very high | 83 | Confident | 29 Ų | 29 | 83.4 Ų | 83.4 | 20% | 0.196 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 124.5 | 168.2 | -173.1 | 0 | 0 | 0 | 0 | 108.1 | V308 V310 E318 A335 | V308-C320 HydrophobicContact CG1-CB 4.13Å; V310-C320 HydrophobicContact CG2-CB 3.8Å; E318-C320 PolarHBondContact O-N 3.26Å; C320-A335 CarbonylContact C-O 3.51Å; C320-A335 VanDerWaalsContact CA-O 3.3Å; C320-A335 WeakPolarHBondContact CA-O 3.46Å; C320-A335 PolarHBondContact SG-O 2.85Å; C320-A335 VanDerWaalsContact SG-O 3.35Å |
| 321 | D | 86.8 | Confident | 82.6 | Confident | 117 Ų | 117 | 83.7 Ų | 83.7 | 63% | 0.626 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 139.6 | 167.3 | -67.7 | -44.3 | 0 | 0 | 0 | 108.8 | C334 A335 | D321-C334 VanDerWaalsContact O-CA 3.25Å; D321-C334 WeakPolarHBondContact O-CA 3.45Å; D321-A335 PolarHBondContact N-O 2.66Å; D321-A335 PolarHBondContact O-N 2.97Å |
| 322 | V | 89.8 | Confident | 82.5 | Confident | 57 Ų | 57 | 84 Ų | 84 | 35% | 0.345 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 114.7 | 176.3 | -179.4 | 0 | 0 | 0 | 0 | 107.8 | V308 Y332 | V308-V322 HydrophobicContact CB-CG2 3.85Å; V308-V322 HydrophobicContact CG2-CG2 3.71Å; V322-Y332 HydrophobicContact CG1-CD1 4.24Å |
| 323 | L | 82.4 | Confident | 82.4 | Confident | 115 Ų | 115 | 85.9 Ų | 85.9 | 60% | 0.602 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 121.4 | -174.3 | -68.2 | 168.1 | 0 | 0 | 0 | 109.8 | N325 Y332 S333 | L323-N325 PolarHBondContact O-N 2.77Å; L323-Y332 CarbonylContact O-C 3.59Å; L323-Y332 WeakPolarHBondContact O-CA 3.46Å; L323-S333 PolarHBondContact N-O 2.98Å; L323-S333 PolarHBondContact O-N 3.41Å |
| 324 | S | 83.5 | Confident | 82.8 | Confident | 55 Ų | 55 | 83.6 Ų | 83.6 | 39% | 0.385 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 128.3 | 168.5 | 179.9 | 0 | 0 | 0 | 0 | 109.7 | N326 | S324-N326 VanDerWaalsContact C-N 3.31Å; S324-N326 PolarHBondContact OG-N 3.46Å; S324-N326 PolarHBondContact OG-OD1 3.18Å |
| 325 | N | 79.4 | Confident | 83 | Confident | 67 Ų | 67 | 77.8 Ų | 77.8 | 36% | 0.358 | 41% | 0.414 | S | S | . | . | trans | -81.4 | -13 | 177.2 | -64.5 | -30.4 | 0 | 0 | 0 | 112.4 | L323 D327 T331 S333 | L323-N325 PolarHBondContact O-N 2.77Å; N325-D327 PolarHBondContact O-N 2.79Å; N325-D327 VanDerWaalsContact O-N 3.13Å; N325-T331 WeakPolarHBondContact CB-O 3.43Å; N325-T331 PolarHBondContact N-O 2.93Å; N325-T331 PolarHBondContact ND2-OG1 3.01Å; N325-S333 PolarHBondContact ND2-N 3.43Å; N325-S333 PolarHBondContact ND2-OG 2.83Å; N325-S333 PolarHBondContact OD1-OG 2.79Å | ||
| 326 | N | 75.8 | Confident | 83.4 | Confident | 144 Ų | 144 | 75.3 Ų | 75.3 | 77% | 0.77 | 39% | 0.388 | S | S | * | . | trans | 51.1 | 30.8 | -178 | -71.3 | -7.5 | 0 | 0 | 0 | 114 | S324 | S324-N326 VanDerWaalsContact C-N 3.31Å; S324-N326 PolarHBondContact OG-N 3.46Å; S324-N326 PolarHBondContact OG-OD1 3.18Å | ||
| 327 | D | 75.4 | Confident | 83.5 | Confident | 65 Ų | 65 | 73.3 Ų | 73.3 | 35% | 0.348 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -82.7 | 176 | 175.1 | 60.9 | 22.7 | 0 | 0 | 0 | 112 | N325 Q329 Q330 T331 | N325-D327 PolarHBondContact O-N 2.79Å; N325-D327 VanDerWaalsContact O-N 3.13Å; D327-Q329 PolarHBondContact O-N 3.25Å; D327-Q329 VanDerWaalsContact OD1-C 3.23Å; D327-Q329 WeakPolarHBondContact OD1-CA 3.44Å; D327-Q329 PolarHBondContact OD1-N 3.1Å; D327-Q330 PolarHBondContact O-N 3.02Å; D327-Q330 PolarHBondContact OD1-N 2.64Å; D327-T331 PolarHBondContact OD1-N 3.07Å; D327-T331 WeakPolarHBondContact OD2-CG2 3.38Å; D327-T331 PolarHBondContact OD2-OG1 2.78Å |
| 328 | K | 65.2 | Low | 83.4 | Confident | 198 Ų | 198 | 65.4 Ų | 65.4 | 86% | 0.861 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -17.4 | 176.2 | -71.2 | -172.7 | 175.2 | -173.7 | 0 | 113.4 | F299 | F299-K328 VanDerWaalsContact CD2-O 3.3Å; F299-K328 WeakPolarHBondContact CD2-O 3.45Å; F299-K328 WeakPolarHBondContact CE2-O 3.01Å |
| 329 | Q | 67.2 | Low | 83.3 | Confident | 114 Ų | 114 | 67.7 Ų | 67.7 | 53% | 0.533 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 5.4 | -179.1 | -71.7 | 179.7 | -16.4 | 0 | 0 | 112.7 | F299 D327 T331 | F299-Q329 WeakPolarHBondContact CB-O 3.42Å; D327-Q329 PolarHBondContact O-N 3.25Å; D327-Q329 VanDerWaalsContact OD1-C 3.23Å; D327-Q329 WeakPolarHBondContact OD1-CA 3.44Å; D327-Q329 PolarHBondContact OD1-N 3.1Å; Q329-T331 HydrophobicContact CB-CG2 3.73Å; Q329-T331 PolarHBondContact O-N 2.77Å |
| 330 | Q | 80.3 | Confident | 83.2 | Confident | 72 Ų | 72 | 64.7 Ų | 64.7 | 34% | 0.336 | 35% | 0.346 | S | S | . | . | trans | 50.9 | 41 | -179.3 | -62.1 | 177.4 | 86.4 | 0 | 0 | 112.8 | T298 D327 Y332 | T298-Q330 PolarHBondContact OG1-O 3.07Å; D327-Q330 PolarHBondContact O-N 3.02Å; D327-Q330 PolarHBondContact OD1-N 2.64Å; Q330-Y332 WeakPolarHBondContact O-CD2 3.28Å; Q330-Y332 VanDerWaalsContact O-CE2 3.28Å; Q330-Y332 WeakPolarHBondContact O-CE2 3.39Å | ||
| 331 | T | 85 | Confident | 82.7 | Confident | 7 Ų | 7 | 70 Ų | 70 | 4% | 0.043 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 153.3 | -177.2 | 77.2 | 0 | 0 | 0 | 0 | 113.1 | I296 D297 N325 D327 Q329 | I296-T331 CarbonylContact O-C 3.5Å; I296-T331 VanDerWaalsContact O-CA 3.28Å; I296-T331 WeakPolarHBondContact O-CA 3.34Å; D297-T331 HydrophobicContact CB-CG2 4.36Å; N325-T331 WeakPolarHBondContact CB-O 3.43Å; N325-T331 PolarHBondContact N-O 2.93Å; N325-T331 PolarHBondContact ND2-OG1 3.01Å; D327-T331 PolarHBondContact OD1-N 3.07Å; D327-T331 WeakPolarHBondContact OD2-CG2 3.38Å; D327-T331 PolarHBondContact OD2-OG1 2.78Å; Q329-T331 HydrophobicContact CB-CG2 3.73Å; Q329-T331 PolarHBondContact O-N 2.77Å |
| 332 | Y | 88.6 | Confident | 82.5 | Confident | 46 Ų | 46 | 65.4 Ų | 65.4 | 18% | 0.18 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 124 | 176.3 | -59.4 | -106.1 | 0 | 0 | 0 | 109.7 | T295 I296 T298 V306 V322 L323 Q330 | T295-Y332 CarbonylContact C-O 3.33Å; T295-Y332 WeakPolarHBondContact CA-O 3.31Å; I296-Y332 PolarHBondContact N-O 3.13Å; I296-Y332 PolarHBondContact O-N 2.79Å; T298-Y332 HydrophobicContact CG2-CD2 4.16Å; T298-Y332 HydrophobicContact CG2-CE2 3.84Å; V306-Y332 HydrophobicContact CB-CE1 4.43Å; V306-Y332 HydrophobicContact CG2-CD2 3.97Å; V306-Y332 HydrophobicContact CG2-CE1 4.24Å; V306-Y332 HydrophobicContact CG2-CE2 3.69Å; V306-Y332 HydrophobicContact CG2-CG 4.38Å; V322-Y332 HydrophobicContact CG1-CD1 4.24Å; L323-Y332 CarbonylContact O-C 3.59Å; L323-Y332 WeakPolarHBondContact O-CA 3.46Å; Q330-Y332 WeakPolarHBondContact O-CD2 3.28Å; Q330-Y332 VanDerWaalsContact O-CE2 3.28Å; Q330-Y332 WeakPolarHBondContact O-CE2 3.39Å |
| 333 | S | 88 | Confident | 82.5 | Confident | 48 Ų | 48 | 65.6 Ų | 65.6 | 34% | 0.336 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 127.5 | 171.1 | -73.1 | 0 | 0 | 0 | 0 | 110.8 | L323 N325 | L323-S333 PolarHBondContact N-O 2.98Å; L323-S333 PolarHBondContact O-N 3.41Å; N325-S333 PolarHBondContact ND2-N 3.43Å; N325-S333 PolarHBondContact ND2-OG 2.83Å; N325-S333 PolarHBondContact OD1-OG 2.79Å |
| 334 | C | 91.9 | Very high | 83 | Confident | 5 Ų | 5 | 60.1 Ų | 60.1 | 3% | 0.034 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 144.3 | -175 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | R293 F294 D321 | R293-C334 WeakPolarHBondContact CA-O 3.32Å; F294-C334 HydrophobicContact CD1-CB 4.02Å; F294-C334 HydrophobicContact CD2-CB 3.71Å; F294-C334 HydrophobicContact CE1-CB 3.73Å; F294-C334 HydrophobicContact CE2-CB 3.41Å; F294-C334 VanDerWaalsContact CE2-CB 3.41Å; F294-C334 HydrophobicContact CG-CB 4.01Å; F294-C334 HydrophobicContact CZ-CB 3.43Å; F294-C334 VanDerWaalsContact CZ-CB 3.43Å; F294-C334 PolarHBondContact N-O 3.31Å; F294-C334 WeakPolarHBondContact O-CA 3.46Å; F294-C334 PolarHBondContact O-N 2.89Å; D321-C334 VanDerWaalsContact O-CA 3.25Å; D321-C334 WeakPolarHBondContact O-CA 3.45Å |
| 335 | A | 88.7 | Confident | 83.4 | Confident | 22 Ų | 22 | 62.8 Ų | 62.8 | 18% | 0.182 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 139.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | A292 R293 C320 D321 | A292-A335 WeakPolarHBondContact O-CA 3.27Å; R293-A335 HydrophobicContact CG-CB 4.07Å; C320-A335 CarbonylContact C-O 3.51Å; C320-A335 VanDerWaalsContact CA-O 3.3Å; C320-A335 WeakPolarHBondContact CA-O 3.46Å; C320-A335 PolarHBondContact SG-O 2.85Å; C320-A335 VanDerWaalsContact SG-O 3.35Å; D321-A335 PolarHBondContact N-O 2.66Å; D321-A335 PolarHBondContact O-N 2.97Å |
| 336 | Y | 91.9 | Very high | 84.1 | Confident | 3 Ų | 3 | 59.6 Ų | 59.6 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 164.8 | 166.4 | 64.7 | -81.1 | 0 | 0 | 0 | 110.4 | G280 P291 A292 F294 V310 P319 P338 Y344 V346 | G280-Y336 VanDerWaalsContact O-CE1 3.3Å; G280-Y336 WeakPolarHBondContact O-CE1 3.19Å; G280-Y336 PolarHBondContact O-OH 3.25Å; P291-Y336 CarbonylContact C-O 3.54Å; P291-Y336 WeakPolarHBondContact CA-O 3.29Å; A292-Y336 HydrophobicContact CB-CD1 3.9Å; A292-Y336 HydrophobicContact CB-CD2 3.97Å; A292-Y336 HydrophobicContact CB-CE1 3.54Å; A292-Y336 HydrophobicContact CB-CE2 3.64Å; A292-Y336 HydrophobicContact CB-CG 4.1Å; A292-Y336 PolarHBondContact N-O 2.84Å; A292-Y336 PolarHBondContact O-N 3.36Å; F294-Y336 HydrophobicContact CD1-CE1 4.37Å; F294-Y336 HydrophobicContact CE1-CD1 4.02Å; F294-Y336 HydrophobicContact CE1-CE1 4.03Å; V310-Y336 HydrophobicContact CB-CG 4.44Å; V310-Y336 HydrophobicContact CG1-CD2 3.71Å; V310-Y336 HydrophobicContact CG1-CE2 3.96Å; V310-Y336 HydrophobicContact CG1-CG 4.01Å; V310-Y336 HydrophobicContact CG2-CD1 3.72Å; V310-Y336 HydrophobicContact CG2-CD2 4.34Å; V310-Y336 HydrophobicContact CG2-CE1 4.25Å; V310-Y336 HydrophobicContact CG2-CG 3.77Å; P319-Y336 WeakPolarHBondContact O-CB 3.28Å; Y336-P338 HydrophobicContact CE2-CB 4.34Å; Y336-Y344 HydrophobicContact CE2-CD1 4.02Å; Y336-V346 HydrophobicContact CE1-CG2 3.72Å |
| 337 | V | 86.1 | Confident | 84.9 | Confident | 71 Ų | 71 | 53.9 Ų | 53.9 | 43% | 0.43 | 27% | 0.27 | S | S | . | . | trans | -119.3 | 110.5 | 174.6 | -175.1 | 0 | 0 | 0 | 0 | 108.3 | P291 T339 | P291-V337 HydrophobicContact CB-CG2 4.29Å; P291-V337 HydrophobicContact CG-CG2 4.2Å; V337-T339 PolarHBondContact O-N 2.95Å | ||
| 338 | P | 85.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -72.6 | 127.6 | 179.4 | 30.9 | -33.6 | 0 | 0 | 0 | 110.7 | G289 N290 Y336 Y344 V364 | G289-P338 PolarHBondContact N-O 3.14Å; N290-P338 VanDerWaalsContact O-CD 3.25Å; N290-P338 WeakPolarHBondContact O-CD 3.31Å; Y336-P338 HydrophobicContact CE2-CB 4.34Å; P338-Y344 HydrophobicContact CB-CD1 4.35Å; P338-Y344 HydrophobicContact CB-CE1 3.76Å; P338-Y344 HydrophobicContact CB-CE2 3.95Å; P338-V364 HydrophobicContact CB-CB 4.27Å; P338-V364 HydrophobicContact CB-CG1 3.82Å; P338-V364 HydrophobicContact CB-CG2 3.59Å; P338-V364 HydrophobicContact CG-CG1 3.88Å; P338-V364 HydrophobicContact CG-CG2 3.97Å | ||
| 339 | T | 82.4 | Confident | 86.8 | Confident | 82 Ų | 82 | 43.4 Ų | 43.4 | 50% | 0.503 | 22% | 0.222 | S | C | . | . | trans | -90.8 | -13.7 | -169.4 | 58 | 0 | 0 | 0 | 0 | 114.1 | E318 V337 Y344 | E318-T339 PolarHBondContact OE1-OG1 3.21Å; V337-T339 PolarHBondContact O-N 2.95Å; T339-Y344 PolarHBondContact N-OH 2.88Å; T339-Y344 PolarHBondContact OG1-OH 2.78Å | ||
| 340 | Q | 82.8 | Confident | 87.7 | Confident | 41 Ų | 41 | 38 Ų | 38 | 19% | 0.192 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -156.6 | 168.5 | -176.9 | 53.2 | 157.4 | 91.6 | 0 | 0 | 111.4 | V288 Y344 V364 | V288-Q340 VanDerWaalsContact CG2-C 3.44Å; Q340-Y344 HydrophobicContact CG-CE2 4.46Å; Q340-Y344 WeakPolarHBondContact CG-OH 3.37Å; Q340-Y344 PolarHBondContact N-OH 3.41Å; Q340-Y344 VanDerWaalsContact O-CE2 3.27Å; Q340-Y344 WeakPolarHBondContact O-CE2 3.4Å; Q340-V364 WeakPolarHBondContact O-CG1 3.42Å |
| 341 | E | 79.3 | Confident | 87.7 | Confident | 142 Ų | 142 | 36.1 Ų | 36.1 | 66% | 0.664 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -75.3 | 156.4 | 173.6 | 62.8 | -178.2 | -145.8 | 0 | 0 | 113 | V288 P313 V364 | V288-E341 HydrophobicContact CG2-CB 4.28Å; P313-E341 WeakPolarHBondContact CG-O 3.44Å; E341-V364 WeakPolarHBondContact CA-O 3.35Å |
| 342 | G | 82.5 | Confident | 87.4 | Confident | 19 Ų | 19 | 42 Ų | 42 | 20% | 0.196 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 124.1 | -173.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y344 V364 | G342-Y344 PolarHBondContact O-N 3.43Å; G342-V364 PolarHBondContact N-O 3.25Å; G342-V364 PolarHBondContact O-N 3.17Å |
| 343 | E | 90.5 | Very high | 86.8 | Confident | 61 Ų | 61 | 46.6 Ų | 46.6 | 29% | 0.285 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 103.9 | 175.4 | -179.3 | -179.5 | 130.5 | 0 | 0 | 111.2 | P313 R345 K361 M363 | P313-E343 WeakPolarHBondContact CA-O 3.33Å; P313-E343 WeakPolarHBondContact CG-O 3.4Å; E343-R345 HydrophobicContact CG-CG 4.49Å; E343-R345 IonicContact OE1-CZ 2.71Å; E343-R345 IonicContact OE1-NE 3.33Å; E343-R345 PolarHBondContact OE1-NE 3.39Å; E343-R345 IonicContact OE1-NH2 3.56Å; E343-R345 PolarHBondContact OE1-NH2 3.36Å; E343-R345 VanDerWaalsContact OE1-NH2 3.11Å; E343-K361 HydrophobicContact CG-CG 4.37Å; E343-K361 IonicContact OE1-NZ 3.3Å; E343-K361 PolarHBondContact OE1-NZ 2.71Å; E343-K361 IonicContact OE2-NZ 2.62Å; E343-K361 PolarHBondContact OE2-NZ 2.92Å; E343-M363 HydrophobicContact CB-SD 3.8Å |
| 344 | Y | 92.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 151.5 | 161.2 | -80 | -116.3 | 0 | 0 | 0 | 109.9 | V310 L311 N312 P313 E318 Y336 P338 T339 Q340 G342 V362 V364 | V310-Y344 HydrophobicContact CG1-CD1 3.86Å; V310-Y344 HydrophobicContact CG1-CE1 4.44Å; L311-Y344 CarbonylContact O-C 3.58Å; L311-Y344 VanDerWaalsContact O-CA 3.31Å; L311-Y344 WeakPolarHBondContact O-CA 3.46Å; N312-Y344 HydrophobicContact CB-CD1 4.22Å; N312-Y344 HydrophobicContact CB-CE1 3.61Å; N312-Y344 HydrophobicContact CB-CE2 4.31Å; P313-Y344 HydrophobicContact CG-CD2 3.94Å; P313-Y344 HydrophobicContact CG-CE2 3.9Å; E318-Y344 HydrophobicContact CG-CE1 4.05Å; Y336-Y344 HydrophobicContact CE2-CD1 4.02Å; P338-Y344 HydrophobicContact CB-CD1 4.35Å; P338-Y344 HydrophobicContact CB-CE1 3.76Å; P338-Y344 HydrophobicContact CB-CE2 3.95Å; T339-Y344 PolarHBondContact N-OH 2.88Å; T339-Y344 PolarHBondContact OG1-OH 2.78Å; Q340-Y344 HydrophobicContact CG-CE2 4.46Å; Q340-Y344 WeakPolarHBondContact CG-OH 3.37Å; Q340-Y344 PolarHBondContact N-OH 3.41Å; Q340-Y344 VanDerWaalsContact O-CE2 3.27Å; Q340-Y344 WeakPolarHBondContact O-CE2 3.4Å; G342-Y344 PolarHBondContact O-N 3.43Å; Y344-V362 WeakPolarHBondContact CB-O 3.46Å; Y344-V362 PolarHBondContact N-O 2.82Å; Y344-V362 PolarHBondContact O-N 2.65Å; Y344-V364 HydrophobicContact CD2-CB 3.9Å; Y344-V364 HydrophobicContact CD2-CG2 3.29Å; Y344-V364 HydrophobicContact CE2-CB 3.97Å; Y344-V364 HydrophobicContact CE2-CG2 3.66Å; Y344-V364 HydrophobicContact CG-CG2 3.88Å |
| 345 | R | 92.8 | Very high | 86.4 | Confident | 112 Ų | 112 | 48.7 Ų | 48.7 | 42% | 0.423 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 114.1 | 171.5 | -68.7 | -177.8 | 176.4 | -166 | -1 | 110.2 | L311 E343 P359 F360 | L311-R345 HydrophobicContact CB-CB 4.34Å; L311-R345 PolarHBondContact N-O 2.85Å; L311-R345 PolarHBondContact O-N 3.47Å; E343-R345 HydrophobicContact CG-CG 4.49Å; E343-R345 IonicContact OE1-CZ 2.71Å; E343-R345 IonicContact OE1-NE 3.33Å; E343-R345 PolarHBondContact OE1-NE 3.39Å; E343-R345 IonicContact OE1-NH2 3.56Å; E343-R345 PolarHBondContact OE1-NH2 3.36Å; E343-R345 VanDerWaalsContact OE1-NH2 3.11Å; R345-P359 HydrophobicContact CB-CB 4.43Å; R345-F360 CarbonylContact C-O 3.6Å; R345-F360 WeakPolarHBondContact CA-O 3.25Å |
| 346 | V | 93.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 102.8 | 173.9 | -170.5 | 0 | 0 | 0 | 0 | 108.1 | L281 F294 V308 V310 Y336 I348 F360 V362 | L281-V346 HydrophobicContact CD2-CB 3.79Å; L281-V346 HydrophobicContact CD2-CG1 3.64Å; L281-V346 HydrophobicContact CD2-CG2 4.14Å; F294-V346 HydrophobicContact CE1-CG1 4.18Å; F294-V346 HydrophobicContact CZ-CG1 3.92Å; V308-V346 HydrophobicContact CG1-CG1 4.13Å; V310-V346 HydrophobicContact CG2-CG1 4.1Å; V310-V346 HydrophobicContact CG2-CG2 4.24Å; Y336-V346 HydrophobicContact CE1-CG2 3.72Å; V346-I348 HydrophobicContact CG1-CD1 4.39Å; V346-I348 HydrophobicContact CG1-CG1 4.1Å; V346-F360 HydrophobicContact CB-CB 4.32Å; V346-F360 PolarHBondContact N-O 3.07Å; V346-F360 PolarHBondContact O-N 3.34Å; V346-V362 HydrophobicContact CG2-CG2 4.27Å |
| 347 | I | 92.3 | Very high | 85.1 | Confident | 24 Ų | 24 | 58.5 Ų | 58.5 | 12% | 0.123 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 129.4 | 172.6 | -62.8 | 151.7 | 0 | 0 | 0 | 107.7 | V308 I309 L311 K349 E354 S358 P359 | V308-I347 WeakPolarHBondContact CA-O 3.44Å; I309-I347 HydrophobicContact CB-CB 4.14Å; I309-I347 HydrophobicContact CB-CD1 4.35Å; I309-I347 HydrophobicContact CD1-CG2 4.23Å; I309-I347 HydrophobicContact CG2-CD1 4.49Å; I309-I347 PolarHBondContact N-O 2.93Å; I309-I347 PolarHBondContact O-N 2.87Å; L311-I347 HydrophobicContact CD1-CD1 3.83Å; L311-I347 HydrophobicContact CG-CD1 4.33Å; I347-K349 HydrophobicContact CG2-CG 4.23Å; I347-E354 HydrophobicContact CG2-CG 3.94Å; I347-S358 WeakPolarHBondContact CA-OG 3.24Å; I347-P359 HydrophobicContact CG1-CB 3.76Å |
| 348 | I | 93.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 129 | 175.3 | -57.1 | 176 | 0 | 0 | 0 | 108.6 | A276 L281 F294 I296 V308 V346 E354 I355 S358 F360 | A276-I348 HydrophobicContact CB-CD1 3.58Å; L281-I348 HydrophobicContact CD1-CD1 3.92Å; L281-I348 HydrophobicContact CD2-CD1 4.02Å; F294-I348 HydrophobicContact CD2-CD1 4.29Å; F294-I348 HydrophobicContact CE2-CD1 3.55Å; F294-I348 HydrophobicContact CE2-CG1 4.41Å; F294-I348 HydrophobicContact CZ-CD1 4.12Å; I296-I348 HydrophobicContact CD1-CD1 4.27Å; I296-I348 HydrophobicContact CD1-CG2 3.67Å; I296-I348 HydrophobicContact CG1-CD1 4.37Å; I296-I348 HydrophobicContact CG1-CG2 4.38Å; V308-I348 HydrophobicContact CG2-CG1 4.45Å; V346-I348 HydrophobicContact CG1-CD1 4.39Å; V346-I348 HydrophobicContact CG1-CG1 4.1Å; I348-E354 WeakPolarHBondContact O-CA 3.44Å; I348-I355 HydrophobicContact CB-CD1 3.82Å; I348-I355 HydrophobicContact CB-CG1 3.9Å; I348-I355 HydrophobicContact CD1-CD1 4.37Å; I348-I355 HydrophobicContact CG2-CD1 3.59Å; I348-I355 HydrophobicContact CG2-CG1 3.97Å; I348-I355 HydrophobicContact CG2-CG2 4.32Å; I348-I355 PolarHBondContact O-N 3.35Å; I348-S358 PolarHBondContact N-OG 3.27Å; I348-S358 WeakPolarHBondContact O-CB 3.21Å; I348-S358 PolarHBondContact O-OG 3.36Å; I348-F360 HydrophobicContact CD1-CD2 4.08Å; I348-F360 HydrophobicContact CD1-CE2 3.85Å; I348-F360 HydrophobicContact CG1-CD2 4.41Å; I348-F360 HydrophobicContact CG1-CE2 4.35Å |
| 349 | K | 87.2 | Confident | 85.2 | Confident | 42 Ų | 42 | 58.7 Ų | 58.7 | 18% | 0.183 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 149.7 | 178.5 | -63 | -177.6 | -157 | 154.6 | 0 | 112.2 | V306 E307 I347 K353 E354 | V306-K349 WeakPolarHBondContact CA-O 3.29Å; E307-K349 HydrophobicContact CB-CB 4.26Å; E307-K349 PolarHBondContact N-O 3.22Å; E307-K349 PolarHBondContact O-N 3.21Å; E307-K349 WeakPolarHBondContact OE2-CD 3.47Å; E307-K349 IonicContact OE2-NZ 2.93Å; E307-K349 PolarHBondContact OE2-NZ 3.13Å; I347-K349 HydrophobicContact CG2-CG 4.23Å; K349-K353 CarbonylContact C-O 3.57Å; K349-K353 WeakPolarHBondContact CA-O 3.39Å; K349-K353 VanDerWaalsContact CB-O 3.26Å; K349-K353 WeakPolarHBondContact CB-O 3.39Å; K349-E354 HydrophobicContact CD-CG 4.28Å; K349-E354 HydrophobicContact CG-CB 4.43Å; K349-E354 HydrophobicContact CG-CG 3.59Å |
| 350 | F | 86.1 | Confident | 85.7 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 131.5 | 171.4 | -177.6 | -103.2 | 0 | 0 | 0 | 109.3 | P271 V274 T298 A301 G304 A305 V306 T352 K353 I355 | P271-F350 HydrophobicContact CB-CB 4.48Å; V274-F350 HydrophobicContact CG2-CB 3.69Å; V274-F350 HydrophobicContact CG2-CD1 3.8Å; V274-F350 HydrophobicContact CG2-CD2 3.98Å; V274-F350 HydrophobicContact CG2-CE1 4.36Å; V274-F350 HydrophobicContact CG2-CG 3.56Å; T298-F350 HydrophobicContact CG2-CD2 3.84Å; T298-F350 HydrophobicContact CG2-CE2 3.72Å; A301-F350 HydrophobicContact CB-CD1 4.22Å; A301-F350 HydrophobicContact CB-CE1 3.71Å; A301-F350 HydrophobicContact CB-CZ 3.9Å; A301-F350 WeakPolarHBondContact O-CE1 3.35Å; G304-F350 VanDerWaalsContact N-CZ 3.28Å; G304-F350 WeakPolarHBondContact O-CE2 3.16Å; A305-F350 WeakPolarHBondContact O-CA 3.36Å; V306-F350 HydrophobicContact CG2-CD2 4.08Å; F350-T352 PolarHBondContact O-N 2.78Å; F350-K353 PolarHBondContact N-O 2.93Å; F350-K353 PolarHBondContact O-N 2.8Å; F350-K353 VanDerWaalsContact O-N 3.1Å; F350-K353 VanDerWaalsContact O-O 3.09Å; F350-I355 HydrophobicContact CB-CG2 3.85Å |
| 351 | A | 79.8 | Confident | 86 | Confident | 33 Ų | 33 | 59.5 Ų | 59.5 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 45.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A305 K353 | A305-A351 PolarHBondContact O-N 3.44Å; A351-K353 VanDerWaalsContact C-N 3.26Å; A351-K353 PolarHBondContact O-N 3.24Å |
| 352 | T | 78.4 | Confident | 86.6 | Confident | 129 Ų | 129 | 52.7 Ų | 52.7 | 79% | 0.791 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | -7.6 | -177.9 | 73.7 | 0 | 0 | 0 | 0 | 117.8 | F350 | F350-T352 PolarHBondContact O-N 2.78Š|
| 353 | K | 75.4 | Confident | 86.7 | Confident | 143 Ų | 143 | 55.3 Ų | 55.3 | 62% | 0.622 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 149.9 | 176.1 | -72.3 | -178.5 | 177.4 | -178 | 0 | 111.2 | P271 K349 F350 A351 | P271-K353 HydrophobicContact CB-CB 4.32Å; P271-K353 HydrophobicContact CG-CB 3.69Å; P271-K353 HydrophobicContact CG-CD 4.26Å; K349-K353 CarbonylContact C-O 3.57Å; K349-K353 WeakPolarHBondContact CA-O 3.39Å; K349-K353 VanDerWaalsContact CB-O 3.26Å; K349-K353 WeakPolarHBondContact CB-O 3.39Å; F350-K353 PolarHBondContact N-O 2.93Å; F350-K353 PolarHBondContact O-N 2.8Å; F350-K353 VanDerWaalsContact O-N 3.1Å; F350-K353 VanDerWaalsContact O-O 3.09Å; A351-K353 VanDerWaalsContact C-N 3.26Å; A351-K353 PolarHBondContact O-N 3.24Å |
| 354 | E | 82.9 | Confident | 86.2 | Confident | 90 Ų | 90 | 52.5 Ų | 52.5 | 42% | 0.421 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 146.3 | 173.7 | -75.5 | -172.2 | -130.9 | 0 | 0 | 111.6 | I347 I348 K349 S358 | I347-E354 HydrophobicContact CG2-CG 3.94Å; I348-E354 WeakPolarHBondContact O-CA 3.44Å; K349-E354 HydrophobicContact CD-CG 4.28Å; K349-E354 HydrophobicContact CG-CB 4.43Å; K349-E354 HydrophobicContact CG-CG 3.59Å; E354-S358 WeakPolarHBondContact OE2-CB 3.44Å; E354-S358 PolarHBondContact OE2-OG 3.33Å |
| 355 | I | 89.1 | Confident | 85.1 | Confident | 7 Ų | 7 | 56.2 Ų | 56.2 | 4% | 0.036 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -84.9 | 169.3 | 179.2 | 70.9 | 165.4 | 0 | 0 | 0 | 111 | P271 V274 A276 I348 F350 N357 S358 F360 | P271-I355 HydrophobicContact CB-CG2 4.42Å; P271-I355 WeakPolarHBondContact O-CA 3.26Å; P271-I355 WeakPolarHBondContact O-CB 3.3Å; V274-I355 HydrophobicContact CB-CB 4.14Å; V274-I355 HydrophobicContact CB-CD1 4.45Å; V274-I355 HydrophobicContact CB-CG2 3.69Å; V274-I355 HydrophobicContact CG1-CB 4.42Å; V274-I355 HydrophobicContact CG1-CD1 3.97Å; V274-I355 HydrophobicContact CG1-CG2 3.83Å; V274-I355 HydrophobicContact CG2-CG2 4.06Å; A276-I355 HydrophobicContact CB-CD1 3.63Å; I348-I355 HydrophobicContact CB-CD1 3.82Å; I348-I355 HydrophobicContact CB-CG1 3.9Å; I348-I355 HydrophobicContact CD1-CD1 4.37Å; I348-I355 HydrophobicContact CG2-CD1 3.59Å; I348-I355 HydrophobicContact CG2-CG1 3.97Å; I348-I355 HydrophobicContact CG2-CG2 4.32Å; I348-I355 PolarHBondContact O-N 3.35Å; F350-I355 HydrophobicContact CB-CG2 3.85Å; I355-N357 PolarHBondContact O-N 2.88Å; I355-S358 WeakPolarHBondContact O-CB 3.42Å; I355-S358 PolarHBondContact O-N 2.89Å; I355-S358 VanDerWaalsContact O-N 3.08Å; I355-F360 HydrophobicContact CD1-CE2 4.14Å; I355-F360 HydrophobicContact CD1-CZ 4.36Å; I355-F360 HydrophobicContact CG1-CE2 4.31Å |
| 356 | L | 74.3 | Confident | 83.3 | Confident | 111 Ų | 111 | 53 Ų | 53 | 58% | 0.581 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 136.3 | 174.7 | -164.8 | 66.4 | 0 | 0 | 0 | 110.7 | S358 | L356-S358 PolarHBondContact O-N 2.81Š|
| 357 | N | 79.1 | Confident | 81.3 | Confident | 120 Ų | 120 | 57.9 Ų | 57.9 | 64% | 0.642 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 3.7 | -174.1 | -53.9 | -31.5 | 0 | 0 | 0 | 116.9 | I355 P359 F360 | I355-N357 PolarHBondContact O-N 2.88Å; N357-P359 CarbonylContact O-C 3.53Å; N357-F360 HydrophobicContact CB-CD1 4.39Å; N357-F360 HydrophobicContact CB-CE1 3.74Å; N357-F360 HydrophobicContact CB-CZ 3.84Å; N357-F360 PolarHBondContact O-N 3.33Å |
| 358 | S | 87.1 | Confident | 79.5 | Confident | 22 Ų | 22 | 61.9 Ų | 61.9 | 15% | 0.154 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 140.7 | 164.3 | -178.3 | 0 | 0 | 0 | 0 | 111 | I347 I348 E354 I355 L356 | I347-S358 WeakPolarHBondContact CA-OG 3.24Å; I348-S358 PolarHBondContact N-OG 3.27Å; I348-S358 WeakPolarHBondContact O-CB 3.21Å; I348-S358 PolarHBondContact O-OG 3.36Å; E354-S358 WeakPolarHBondContact OE2-CB 3.44Å; E354-S358 PolarHBondContact OE2-OG 3.33Å; I355-S358 WeakPolarHBondContact O-CB 3.42Å; I355-S358 PolarHBondContact O-N 2.89Å; I355-S358 VanDerWaalsContact O-N 3.08Å; L356-S358 PolarHBondContact O-N 2.81Å |
| 359 | P | 88 | Confident | 77.7 | Confident | 54 Ų | 54 | 62.4 Ų | 62.4 | 35% | 0.351 | 35% | 0.349 | S | S | . | . | S | Bend | cis | -76.7 | 130.1 | -7.9 | 29.8 | -34 | 0 | 0 | 0 | 112.8 | R345 I347 N357 K361 | R345-P359 HydrophobicContact CB-CB 4.43Å; I347-P359 HydrophobicContact CG1-CB 3.76Å; N357-P359 CarbonylContact O-C 3.53Å; P359-K361 PolarHBondContact O-N 3.47Å |
| 360 | F | 91.6 | Very high | 76.8 | Confident | 28 Ų | 28 | 62.9 Ų | 62.9 | 12% | 0.123 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 123.2 | 173.6 | -62.5 | -99.7 | 0 | 0 | 0 | 109.2 | A276 L281 R345 V346 I348 I355 N357 | A276-F360 HydrophobicContact CB-CE2 4.39Å; A276-F360 HydrophobicContact CB-CZ 4.14Å; L281-F360 HydrophobicContact CB-CD1 4.03Å; L281-F360 HydrophobicContact CB-CG 4.34Å; L281-F360 HydrophobicContact CD1-CD1 4.39Å; L281-F360 HydrophobicContact CD1-CE1 4.31Å; L281-F360 HydrophobicContact CD1-CZ 4.41Å; L281-F360 HydrophobicContact CD2-CB 4.08Å; L281-F360 HydrophobicContact CD2-CD1 4.49Å; L281-F360 HydrophobicContact CD2-CD2 4.18Å; L281-F360 HydrophobicContact CD2-CG 4Å; R345-F360 CarbonylContact C-O 3.6Å; R345-F360 WeakPolarHBondContact CA-O 3.25Å; V346-F360 HydrophobicContact CB-CB 4.32Å; V346-F360 PolarHBondContact N-O 3.07Å; V346-F360 PolarHBondContact O-N 3.34Å; I348-F360 HydrophobicContact CD1-CD2 4.08Å; I348-F360 HydrophobicContact CD1-CE2 3.85Å; I348-F360 HydrophobicContact CG1-CD2 4.41Å; I348-F360 HydrophobicContact CG1-CE2 4.35Å; I355-F360 HydrophobicContact CD1-CE2 4.14Å; I355-F360 HydrophobicContact CD1-CZ 4.36Å; I355-F360 HydrophobicContact CG1-CE2 4.31Å; N357-F360 HydrophobicContact CB-CD1 4.39Å; N357-F360 HydrophobicContact CB-CE1 3.74Å; N357-F360 HydrophobicContact CB-CZ 3.84Å; N357-F360 PolarHBondContact O-N 3.33Å |
| 361 | K | 90.5 | Very high | 76 | Confident | 111 Ų | 111 | 62.8 Ų | 62.8 | 48% | 0.483 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 116.4 | 175.1 | -77.7 | 165.7 | 158.6 | -89.3 | 0 | 109.2 | P283 E343 P359 | P283-K361 WeakPolarHBondContact CA-O 3.18Å; E343-K361 HydrophobicContact CG-CG 4.37Å; E343-K361 IonicContact OE1-NZ 3.3Å; E343-K361 PolarHBondContact OE1-NZ 2.71Å; E343-K361 IonicContact OE2-NZ 2.62Å; E343-K361 PolarHBondContact OE2-NZ 2.92Å; P359-K361 PolarHBondContact O-N 3.47Å |
| 362 | V | 90.6 | Very high | 75.7 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 109.7 | -179.4 | 177.1 | 0 | 0 | 0 | 0 | 108.5 | N286 Y344 V346 V364 | N286-V362 HydrophobicContact CB-CG1 3.77Å; N286-V362 WeakPolarHBondContact ND2-CG1 3.37Å; Y344-V362 WeakPolarHBondContact CB-O 3.46Å; Y344-V362 PolarHBondContact N-O 2.82Å; Y344-V362 PolarHBondContact O-N 2.65Å; V346-V362 HydrophobicContact CG2-CG2 4.27Å; V362-V364 HydrophobicContact CG1-CG2 4.3Å; V362-V364 PolarHBondContact O-N 3.5Å |
| 363 | M | 84.6 | Confident | 75.6 | Confident | 73 Ų | 73 | 63.3 Ų | 63.3 | 36% | 0.36 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 116.6 | 168 | -70.1 | -61 | -56.7 | 0 | 0 | 108.7 | P283 E343 | P283-M363 VanDerWaalsContact O-CB 3.3Å; P283-M363 WeakPolarHBondContact O-CB 3.28Å; P283-M363 PolarHBondContact O-N 3.09Å; E343-M363 HydrophobicContact CB-SD 3.8Å |
| 364 | V | 80 | Confident | 75.9 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 118.4 | 170.2 | 179.6 | 0 | 0 | 0 | 0 | 108.4 | N286 V288 P338 Q340 E341 G342 Y344 V362 | N286-V364 HydrophobicContact CB-CG2 4.25Å; N286-V364 WeakPolarHBondContact O-CA 3.45Å; V288-V364 HydrophobicContact CG2-CG1 3.77Å; P338-V364 HydrophobicContact CB-CB 4.27Å; P338-V364 HydrophobicContact CB-CG1 3.82Å; P338-V364 HydrophobicContact CB-CG2 3.59Å; P338-V364 HydrophobicContact CG-CG1 3.88Å; P338-V364 HydrophobicContact CG-CG2 3.97Å; Q340-V364 WeakPolarHBondContact O-CG1 3.42Å; E341-V364 WeakPolarHBondContact CA-O 3.35Å; G342-V364 PolarHBondContact N-O 3.25Å; G342-V364 PolarHBondContact O-N 3.17Å; Y344-V364 HydrophobicContact CD2-CB 3.9Å; Y344-V364 HydrophobicContact CD2-CG2 3.29Å; Y344-V364 HydrophobicContact CE2-CB 3.97Å; Y344-V364 HydrophobicContact CE2-CG2 3.66Å; Y344-V364 HydrophobicContact CG-CG2 3.88Å; V362-V364 HydrophobicContact CG1-CG2 4.3Å; V362-V364 PolarHBondContact O-N 3.5Å |
| 365 | E | 69.2 | Low | 76.1 | Confident | 79 Ų | 79 | 55.5 Ų | 55.5 | 37% | 0.369 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 165.9 | -173.9 | -63.6 | 177 | 154.8 | 0 | 0 | 112 | G285 N286 T287 V288 | G285-E365 PolarHBondContact N-OE2 2.99Å; N286-E365 PolarHBondContact O-N 3.35Å; T287-E365 WeakPolarHBondContact CA-O 3.3Å; T287-E365 HydrophobicContact CG2-CB 4.49Å; V288-E365 PolarHBondContact N-O 3.2Å |
| 366 | G | 56.7 | Low | 76.2 | Confident | 45 Ų | 45 | 56.1 Ų | 56.1 | 46% | 0.464 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -63.5 | 169.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T287 Q368 | T287-G366 WeakPolarHBondContact CG2-O 3.31Å; G366-Q368 PolarHBondContact O-N 3.23Å |
| 367 | A | 51.2 | Low | 76.9 | Confident | 102 Ų | 102 | 54 Ų | 54 | 84% | 0.843 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -57 | 137.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 368 | Q | 54.5 | Low | 77.3 | Confident | 107 Ų | 107 | 49.2 Ų | 49.2 | 50% | 0.5 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 169.1 | -175.9 | -83.8 | 176.1 | -29.8 | 0 | 0 | 114.7 | G285 T287 G366 | G285-Q368 PolarHBondContact O-NE2 2.91Å; T287-Q368 HydrophobicContact CG2-CG 4.02Å; G366-Q368 PolarHBondContact O-N 3.23Å |
| 369 | G | 56.1 | Low | 77.2 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 12% | 0.124 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 164.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115 | Q453 | G369-Q453 PolarHBondContact O-NE2 2.79Š|
| 370 | D | 67.5 | Low | 77.1 | Confident | 51 Ų | 51 | 47.9 Ų | 47.9 | 27% | 0.273 | 29% | 0.287 | S | S | . | . | trans | -109.3 | 99.3 | -168 | 179.6 | -3.8 | 0 | 0 | 0 | 110.7 | S372 K373 A401 | D370-S372 PolarHBondContact O-N 2.81Å; D370-S372 VanDerWaalsContact O-N 3.17Å; D370-S372 VanDerWaalsContact OD1-CB 3.29Å; D370-S372 WeakPolarHBondContact OD1-CB 3.33Å; D370-S372 PolarHBondContact OD1-N 2.92Å; D370-S372 PolarHBondContact OD1-OG 2.67Å; D370-S372 PolarHBondContact OD2-OG 2.86Å; D370-K373 PolarHBondContact O-N 2.86Å; D370-K373 VanDerWaalsContact O-N 3.16Å; D370-K373 IonicContact OD2-NZ 3.47Å; D370-K373 PolarHBondContact OD2-NZ 3.36Å; D370-A401 PolarHBondContact N-O 2.77Å | ||
| 371 | G | 68.6 | Low | 77.1 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -63.5 | -19.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K373 A374 | G371-K373 PolarHBondContact O-N 3.24Å; G371-A374 PolarHBondContact O-N 3.4Å |
| 372 | S | 73.8 | Confident | 77 | Confident | 62 Ų | 62 | 47.2 Ų | 47.2 | 43% | 0.434 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -66.6 | -21.9 | 177.1 | 76.9 | 0 | 0 | 0 | 0 | 113.1 | D370 S456 | D370-S372 PolarHBondContact O-N 2.81Å; D370-S372 VanDerWaalsContact O-N 3.17Å; D370-S372 VanDerWaalsContact OD1-CB 3.29Å; D370-S372 WeakPolarHBondContact OD1-CB 3.33Å; D370-S372 PolarHBondContact OD1-N 2.92Å; D370-S372 PolarHBondContact OD1-OG 2.67Å; D370-S372 PolarHBondContact OD2-OG 2.86Å; S372-S456 PolarHBondContact O-OG 2.85Å |
| 373 | K | 77.8 | Confident | 76.7 | Confident | 111 Ų | 111 | 51.5 Ų | 51.5 | 48% | 0.483 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -86.7 | -16.5 | 177.7 | -66.2 | -171 | -179.3 | 84.2 | 0 | 114.1 | D370 G371 A400 A401 | D370-K373 PolarHBondContact O-N 2.86Å; D370-K373 VanDerWaalsContact O-N 3.16Å; D370-K373 IonicContact OD2-NZ 3.47Å; D370-K373 PolarHBondContact OD2-NZ 3.36Å; G371-K373 PolarHBondContact O-N 3.24Å; K373-A400 WeakPolarHBondContact CD-O 3.45Å; K373-A401 HydrophobicContact CB-CB 4.06Å |
| 374 | A | 80.8 | Confident | 76.6 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | trans | -73.3 | 145.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110 | G371 F397 A401 Y450 I455 | G371-A374 PolarHBondContact O-N 3.4Å; A374-F397 WeakPolarHBondContact CA-O 3.25Å; A374-A401 HydrophobicContact CB-CB 4.31Å; A374-Y450 HydrophobicContact CB-CD1 4.07Å; A374-Y450 HydrophobicContact CB-CG 3.88Å; A374-I455 HydrophobicContact CB-CB 4.29Å; A374-I455 HydrophobicContact CB-CG2 3.72Å | ||
| 375 | T | 88 | Confident | 76.5 | Confident | 68 Ų | 68 | 55.4 Ų | 55.4 | 42% | 0.417 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 158.8 | -177.2 | 57.7 | 0 | 0 | 0 | 0 | 110.7 | I396 F397 | T375-I396 CarbonylContact O-C 3.56Å; T375-I396 WeakPolarHBondContact O-CA 3.45Å; T375-F397 PolarHBondContact N-O 3.19Å; T375-F397 PolarHBondContact O-N 2.78Å |
| 376 | A | 90.2 | Very high | 77.2 | Confident | 20 Ų | 20 | 52.2 Ų | 52.2 | 17% | 0.165 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 147.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | I381 F394 N395 I396 I455 F460 | A376-I381 HydrophobicContact CB-CD1 3.7Å; A376-F394 HydrophobicContact CB-CD2 4.09Å; A376-F394 HydrophobicContact CB-CE2 4.27Å; A376-N395 CarbonylContact C-O 3.57Å; A376-N395 WeakPolarHBondContact CA-O 3.41Å; A376-N395 WeakPolarHBondContact CB-O 3.43Å; A376-I396 HydrophobicContact CB-CG1 4.29Å; A376-I455 HydrophobicContact CB-CD1 3.67Å; A376-F460 HydrophobicContact CB-CE2 4.29Å; A376-F460 HydrophobicContact CB-CZ 4.19Å |
| 377 | S | 88.9 | Confident | 78.6 | Confident | 66 Ų | 66 | 52.5 Ų | 52.5 | 46% | 0.462 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 140 | 173.7 | 71.2 | 0 | 0 | 0 | 0 | 112.6 | N395 | S377-N395 PolarHBondContact N-O 3.11Å; S377-N395 PolarHBondContact O-N 2.92Å |
| 378 | G | 88.6 | Confident | 80.3 | Confident | 20 Ų | 20 | 49.3 Ų | 49.3 | 21% | 0.206 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 157 | 170.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G380 I381 E382 F393 | G378-G380 PolarHBondContact O-N 3.39Å; G378-G380 VanDerWaalsContact O-N 3.09Å; G378-I381 WeakPolarHBondContact O-CG1 3.44Å; G378-I381 PolarHBondContact O-N 3.43Å; G378-E382 PolarHBondContact O-N 3.21Å; G378-F393 CarbonylContact C-O 3.5Å |
| 379 | P | 83.3 | Confident | 81.7 | Confident | 48 Ų | 48 | 47 Ų | 47 | 31% | 0.312 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -58.5 | -27.5 | -173.3 | 22.2 | -33.2 | 0 | 0 | 0 | 113.7 | I381 E382 N386 F393 | P379-I381 PolarHBondContact O-N 3.43Å; P379-E382 PolarHBondContact O-N 2.65Å; P379-N386 PolarHBondContact O-ND2 2.99Å; P379-N386 PolarHBondContact O-OD1 3.4Å; P379-F393 WeakPolarHBondContact CD-O 3.22Å; P379-F393 HydrophobicContact CG-CD1 4.05Å; P379-F393 HydrophobicContact CG-CE1 3.72Å; P379-F393 HydrophobicContact CG-CE2 4.24Å; P379-F393 HydrophobicContact CG-CG 4.44Å; P379-F393 HydrophobicContact CG-CZ 3.82Å; P379-F393 WeakPolarHBondContact CG-O 3.49Å |
| 380 | G | 87 | Confident | 82.9 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -70.4 | -5.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | G378 T392 F393 Y436 | G378-G380 PolarHBondContact O-N 3.39Å; G378-G380 VanDerWaalsContact O-N 3.09Å; G380-T392 WeakPolarHBondContact CA-OG1 3.39Å; G380-T392 PolarHBondContact N-OG1 2.86Å; G380-F393 WeakPolarHBondContact CA-O 3.38Å; G380-F393 PolarHBondContact N-O 3.31Å; G380-Y436 WeakPolarHBondContact O-CE1 3.16Å; G380-Y436 PolarHBondContact O-OH 2.94Å |
| 381 | I | 92 | Very high | 83.9 | Confident | 16 Ų | 16 | 58.6 Ų | 58.6 | 8% | 0.082 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -127.3 | 12.4 | 170.4 | 58.6 | 173.5 | 0 | 0 | 0 | 113.3 | A376 G378 P379 F394 V446 F460 | A376-I381 HydrophobicContact CB-CD1 3.7Å; G378-I381 WeakPolarHBondContact O-CG1 3.44Å; G378-I381 PolarHBondContact O-N 3.43Å; P379-I381 PolarHBondContact O-N 3.43Å; I381-F394 HydrophobicContact CD1-CB 4.39Å; I381-F394 HydrophobicContact CD1-CD2 4.2Å; I381-F394 HydrophobicContact CD1-CG 4.38Å; I381-F394 HydrophobicContact CG1-CB 4.02Å; I381-F394 HydrophobicContact CG1-CG 4.25Å; I381-F394 HydrophobicContact CG2-CB 4.4Å; I381-F394 HydrophobicContact CG2-CD1 3.67Å; I381-F394 HydrophobicContact CG2-CD2 4.17Å; I381-F394 HydrophobicContact CG2-CE1 3.84Å; I381-F394 HydrophobicContact CG2-CE2 4.33Å; I381-F394 HydrophobicContact CG2-CG 3.83Å; I381-F394 HydrophobicContact CG2-CZ 4.16Å; I381-V446 HydrophobicContact CG2-CB 4.1Å; I381-V446 HydrophobicContact CG2-CG1 3.81Å; I381-V446 HydrophobicContact CG2-CG2 4.4Å; I381-F460 HydrophobicContact CB-CB 3.98Å; I381-F460 HydrophobicContact CB-CD1 4.3Å; I381-F460 HydrophobicContact CB-CD2 4.33Å; I381-F460 HydrophobicContact CB-CG 3.95Å; I381-F460 HydrophobicContact CD1-CD1 4.1Å; I381-F460 HydrophobicContact CD1-CD2 4.2Å; I381-F460 HydrophobicContact CD1-CE1 3.96Å; I381-F460 HydrophobicContact CD1-CE2 4.08Å; I381-F460 HydrophobicContact CD1-CG 4.23Å; I381-F460 HydrophobicContact CD1-CZ 3.96Å; I381-F460 HydrophobicContact CG2-CB 4.08Å; I381-F460 HydrophobicContact CG2-CD2 4Å; I381-F460 HydrophobicContact CG2-CG 4.07Å |
| 382 | E | 87.6 | Confident | 85.1 | Confident | 109 Ų | 109 | 59 Ų | 59 | 51% | 0.509 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -70.5 | 137.8 | 169.5 | -71.3 | -176.6 | 179.4 | 0 | 0 | 110.3 | G378 P379 T384 | G378-E382 PolarHBondContact O-N 3.21Å; P379-E382 PolarHBondContact O-N 2.65Å; E382-T384 PolarHBondContact O-N 2.66Å |
| 383 | P | 84.1 | Confident | 86 | Confident | 90 Ų | 90 | 60.7 Ų | 60.7 | 58% | 0.584 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -60.6 | -19.1 | -174.4 | -27.2 | 35.5 | 0 | 0 | 0 | 115.5 | M463 | P383-M463 WeakPolarHBondContact O-CB 3.25Å; P383-M463 PolarHBondContact O-N 2.83Å |
| 384 | T | 81.8 | Confident | 86.8 | Confident | 102 Ų | 102 | 55.4 Ų | 55.4 | 63% | 0.626 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 139.9 | -177.6 | 54.2 | 0 | 0 | 0 | 0 | 110.3 | E382 M463 | E382-T384 PolarHBondContact O-N 2.66Å; T384-M463 HydrophobicContact CG2-CB 4.47Å |
| 385 | G | 78.2 | Confident | 87.3 | Confident | 56 Ų | 56 | 56.9 Ų | 56.9 | 58% | 0.577 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 132.8 | -20.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 386 | N | 85.3 | Confident | 87.5 | Confident | 12 Ų | 12 | 53.7 Ų | 53.7 | 6% | 0.064 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 149.5 | 173.1 | -66.5 | -61.8 | 0 | 0 | 0 | 111.4 | P379 T392 V462 V464 G465 | P379-N386 PolarHBondContact O-ND2 2.99Å; P379-N386 PolarHBondContact O-OD1 3.4Å; N386-T392 WeakPolarHBondContact OD1-CB 3.31Å; N386-T392 WeakPolarHBondContact OD1-CG2 3.44Å; N386-T392 PolarHBondContact OD1-OG1 3.5Å; N386-V462 HydrophobicContact CB-CG1 4.11Å; N386-V462 WeakPolarHBondContact ND2-CG1 3.4Å; N386-V464 HydrophobicContact CB-CG2 4.29Å; N386-V464 WeakPolarHBondContact O-CA 3.3Å; N386-G465 PolarHBondContact O-N 2.95Å |
| 387 | Q | 85.7 | Confident | 87.4 | Confident | 51 Ų | 51 | 56.6 Ų | 56.6 | 24% | 0.238 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 144.9 | -170 | -70.3 | 170.3 | -29.2 | 0 | 0 | 110.7 | G389 R390 G465 | Q387-G389 PolarHBondContact O-N 2.79Å; Q387-R390 HydrophobicContact CB-CB 4.17Å; Q387-R390 WeakPolarHBondContact O-CB 3.36Å; Q387-R390 PolarHBondContact O-N 2.72Å; Q387-R390 VanDerWaalsContact O-N 3.13Å; Q387-R390 VanDerWaalsContact OE1-NH1 3.16Å; Q387-G465 WeakPolarHBondContact CA-O 3.29Å |
| 388 | V | 87.1 | Confident | 87.3 | Confident | 34 Ų | 34 | 53.5 Ų | 53.5 | 21% | 0.206 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 130.9 | 176.4 | 167.5 | 0 | 0 | 0 | 0 | 111.7 | R390 K439 D440 E441 V464 G465 | V388-R390 VanDerWaalsContact C-N 3.27Å; V388-R390 PolarHBondContact O-N 3.48Å; V388-K439 WeakPolarHBondContact CG1-O 3.31Å; V388-D440 WeakPolarHBondContact CG2-O 3.46Å; V388-E441 HydrophobicContact CB-CG 4.49Å; V388-E441 HydrophobicContact CG2-CB 4.32Å; V388-E441 HydrophobicContact CG2-CG 3.51Å; V388-V464 HydrophobicContact CG2-CG1 3.82Å; V388-G465 PolarHBondContact N-O 3Å |
| 389 | G | 82.3 | Confident | 86.5 | Confident | 59 Ų | 59 | 55.4 Ų | 55.4 | 61% | 0.608 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | 6.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q387 P438 | Q387-G389 PolarHBondContact O-N 2.79Å; G389-P438 PolarHBondContact N-O 2.87Å |
| 390 | R | 82.2 | Confident | 85.9 | Confident | 149 Ų | 149 | 57.3 Ų | 57.3 | 56% | 0.562 | 33% | 0.328 | S | S | * | . | trans | -108.1 | 119 | 177.9 | -173.3 | 176.9 | 175.8 | -168.5 | -5.3 | 111.2 | Q387 V388 P438 | Q387-R390 HydrophobicContact CB-CB 4.17Å; Q387-R390 WeakPolarHBondContact O-CB 3.36Å; Q387-R390 PolarHBondContact O-N 2.72Å; Q387-R390 VanDerWaalsContact O-N 3.13Å; Q387-R390 VanDerWaalsContact OE1-NH1 3.16Å; V388-R390 VanDerWaalsContact C-N 3.27Å; V388-R390 PolarHBondContact O-N 3.48Å; R390-P438 WeakPolarHBondContact O-CD 3.16Å | ||
| 391 | R | 89.4 | Confident | 84.9 | Confident | 157 Ų | 157 | 57.5 Ų | 57.5 | 59% | 0.592 | 33% | 0.33 | S | S | * | . | trans | -57.7 | 137.9 | 174.2 | -176.3 | 175.7 | 176.1 | 159.6 | -3.4 | 110.9 | E435 Y436 T437 | R391-E435 IonicContact CZ-OE1 3.86Å; R391-E435 IonicContact CZ-OE2 3.4Å; R391-E435 IonicContact NE-OE1 3.35Å; R391-E435 PolarHBondContact NE-OE1 2.8Å; R391-E435 IonicContact NH2-OE1 2.79Å; R391-E435 PolarHBondContact NH2-OE1 2.9Å; R391-E435 IonicContact NH2-OE2 2.7Å; R391-E435 PolarHBondContact NH2-OE2 3.24Å; R391-Y436 CarbonylContact C-O 3.46Å; R391-Y436 WeakPolarHBondContact CA-O 3.48Å; R391-T437 WeakPolarHBondContact CA-OG1 3.2Å | ||
| 392 | T | 92.2 | Very high | 83.6 | Confident | 10 Ų | 10 | 58.5 Ų | 58.5 | 6% | 0.061 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 167 | 179.9 | -163.7 | 0 | 0 | 0 | 0 | 110.7 | G380 N386 E435 Y436 | G380-T392 WeakPolarHBondContact CA-OG1 3.39Å; G380-T392 PolarHBondContact N-OG1 2.86Å; N386-T392 WeakPolarHBondContact OD1-CB 3.31Å; N386-T392 WeakPolarHBondContact OD1-CG2 3.44Å; N386-T392 PolarHBondContact OD1-OG1 3.5Å; T392-E435 WeakPolarHBondContact O-CA 3.48Å; T392-Y436 HydrophobicContact CG2-CD1 3.84Å; T392-Y436 HydrophobicContact CG2-CD2 4.23Å; T392-Y436 HydrophobicContact CG2-CE1 3.48Å; T392-Y436 VanDerWaalsContact CG2-CE1 3.48Å; T392-Y436 HydrophobicContact CG2-CE2 3.9Å; T392-Y436 HydrophobicContact CG2-CG 4.21Å; T392-Y436 PolarHBondContact N-O 3.41Å; T392-Y436 PolarHBondContact O-N 2.95Å |
| 393 | F | 94 | Very high | 82.3 | Confident | 97 Ų | 97 | 59 Ų | 59 | 43% | 0.425 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 157.4 | -171.1 | 71.8 | -85.7 | 0 | 0 | 0 | 114.4 | G378 P379 G380 L433 V434 E435 | G378-F393 CarbonylContact C-O 3.5Å; P379-F393 WeakPolarHBondContact CD-O 3.22Å; P379-F393 HydrophobicContact CG-CD1 4.05Å; P379-F393 HydrophobicContact CG-CE1 3.72Å; P379-F393 HydrophobicContact CG-CE2 4.24Å; P379-F393 HydrophobicContact CG-CG 4.44Å; P379-F393 HydrophobicContact CG-CZ 3.82Å; P379-F393 WeakPolarHBondContact CG-O 3.49Å; G380-F393 WeakPolarHBondContact CA-O 3.38Å; G380-F393 PolarHBondContact N-O 3.31Å; F393-L433 HydrophobicContact CB-CD1 3.95Å; F393-L433 HydrophobicContact CD2-CD1 3.77Å; F393-L433 HydrophobicContact CG-CD1 4.23Å; F393-V434 CarbonylContact C-O 3.53Å; F393-V434 WeakPolarHBondContact CA-O 3.18Å; F393-E435 HydrophobicContact CB-CG 3.92Å |
| 394 | F | 94.9 | Very high | 81.7 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 160.8 | 169.2 | 67.2 | -87.2 | 0 | 0 | 0 | 111.6 | A376 I381 I396 V434 V446 V448 | A376-F394 HydrophobicContact CB-CD2 4.09Å; A376-F394 HydrophobicContact CB-CE2 4.27Å; I381-F394 HydrophobicContact CD1-CB 4.39Å; I381-F394 HydrophobicContact CD1-CD2 4.2Å; I381-F394 HydrophobicContact CD1-CG 4.38Å; I381-F394 HydrophobicContact CG1-CB 4.02Å; I381-F394 HydrophobicContact CG1-CG 4.25Å; I381-F394 HydrophobicContact CG2-CB 4.4Å; I381-F394 HydrophobicContact CG2-CD1 3.67Å; I381-F394 HydrophobicContact CG2-CD2 4.17Å; I381-F394 HydrophobicContact CG2-CE1 3.84Å; I381-F394 HydrophobicContact CG2-CE2 4.33Å; I381-F394 HydrophobicContact CG2-CG 3.83Å; I381-F394 HydrophobicContact CG2-CZ 4.16Å; F394-I396 HydrophobicContact CD2-CG1 4.28Å; F394-I396 HydrophobicContact CE2-CD1 4.23Å; F394-I396 HydrophobicContact CE2-CG1 3.83Å; F394-V434 HydrophobicContact CD1-CB 4.06Å; F394-V434 HydrophobicContact CD1-CG1 4.36Å; F394-V434 HydrophobicContact CD2-CB 4.26Å; F394-V434 HydrophobicContact CD2-CG2 4.41Å; F394-V434 HydrophobicContact CE1-CB 3.68Å; F394-V434 HydrophobicContact CE1-CG1 3.59Å; F394-V434 HydrophobicContact CE1-CG2 4.45Å; F394-V434 HydrophobicContact CE2-CB 3.9Å; F394-V434 HydrophobicContact CE2-CG1 4.41Å; F394-V434 HydrophobicContact CE2-CG2 3.84Å; F394-V434 HydrophobicContact CG-CB 4.35Å; F394-V434 HydrophobicContact CZ-CB 3.6Å; F394-V434 HydrophobicContact CZ-CG1 3.63Å; F394-V434 HydrophobicContact CZ-CG2 3.87Å; F394-V434 PolarHBondContact N-O 3.4Å; F394-V434 PolarHBondContact O-N 3.29Å; F394-V446 HydrophobicContact CE1-CG1 3.79Å; F394-V446 HydrophobicContact CZ-CG1 3.81Å; F394-V448 HydrophobicContact CE2-CG2 3.85Å; F394-V448 HydrophobicContact CZ-CG2 3.78Å |
| 395 | N | 90.4 | Very high | 81.6 | Confident | 31 Ų | 31 | 57.1 Ų | 57.1 | 17% | 0.166 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 149 | 176.5 | -72.2 | -3.8 | 0 | 0 | 0 | 111.4 | A376 S377 F397 Y432 L433 | A376-N395 CarbonylContact C-O 3.57Å; A376-N395 WeakPolarHBondContact CA-O 3.41Å; A376-N395 WeakPolarHBondContact CB-O 3.43Å; S377-N395 PolarHBondContact N-O 3.11Å; S377-N395 PolarHBondContact O-N 2.92Å; N395-F397 HydrophobicContact CB-CE1 4.33Å; N395-F397 HydrophobicContact CB-CE2 3.85Å; N395-F397 HydrophobicContact CB-CZ 3.68Å; N395-Y432 CarbonylContact C-O 3.56Å; N395-Y432 VanDerWaalsContact CA-O 3.32Å; N395-Y432 WeakPolarHBondContact CA-O 3.14Å; N395-L433 VanDerWaalsContact OD1-CD1 3.22Å; N395-L433 WeakPolarHBondContact OD1-CD1 3.41Å |
| 396 | I | 92.2 | Very high | 81.8 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 122.6 | 170.2 | -52.2 | 168.7 | 0 | 0 | 0 | 108.1 | T375 A376 F394 T398 A406 N431 Y432 V434 V448 | T375-I396 CarbonylContact O-C 3.56Å; T375-I396 WeakPolarHBondContact O-CA 3.45Å; A376-I396 HydrophobicContact CB-CG1 4.29Å; F394-I396 HydrophobicContact CD2-CG1 4.28Å; F394-I396 HydrophobicContact CE2-CD1 4.23Å; F394-I396 HydrophobicContact CE2-CG1 3.83Å; I396-T398 HydrophobicContact CG2-CG2 4.25Å; I396-A406 HydrophobicContact CD1-CB 4.06Å; I396-N431 WeakPolarHBondContact O-CA 3.39Å; I396-N431 PolarHBondContact O-OD1 3.42Å; I396-Y432 PolarHBondContact N-O 3.2Å; I396-Y432 PolarHBondContact O-N 3.11Å; I396-V434 HydrophobicContact CD1-CG2 3.61Å; I396-V434 HydrophobicContact CG1-CG2 4.03Å; I396-V448 HydrophobicContact CD1-CG1 3.45Å; I396-V448 VanDerWaalsContact CD1-CG1 3.45Å; I396-V448 HydrophobicContact CG1-CG1 3.92Å |
| 397 | F | 88.9 | Confident | 81.9 | Confident | 81 Ų | 81 | 58.4 Ų | 58.4 | 36% | 0.355 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 128.9 | 178.2 | -54.7 | -81.4 | 0 | 0 | 0 | 110.4 | A374 T375 N395 D430 N431 | A374-F397 WeakPolarHBondContact CA-O 3.25Å; T375-F397 PolarHBondContact N-O 3.19Å; T375-F397 PolarHBondContact O-N 2.78Å; N395-F397 HydrophobicContact CB-CE1 4.33Å; N395-F397 HydrophobicContact CB-CE2 3.85Å; N395-F397 HydrophobicContact CB-CZ 3.68Å; F397-D430 WeakPolarHBondContact CA-O 3.48Å; F397-N431 HydrophobicContact CD1-CB 4.31Å |
| 398 | T | 86.2 | Confident | 82.1 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | trans | -117.2 | 2.7 | -169.6 | 61 | 0 | 0 | 0 | 0 | 113.8 | I396 A400 A401 D430 Y432 Y450 | I396-T398 HydrophobicContact CG2-CG2 4.25Å; T398-A400 PolarHBondContact O-N 3.34Å; T398-A401 VanDerWaalsContact O-CB 3.25Å; T398-A401 WeakPolarHBondContact O-CB 3.1Å; T398-A401 PolarHBondContact O-N 3.26Å; T398-D430 PolarHBondContact N-O 2.69Å; T398-D430 VanDerWaalsContact OG1-CA 3.3Å; T398-D430 WeakPolarHBondContact OG1-CA 3.33Å; T398-D430 PolarHBondContact OG1-O 2.82Å; T398-D430 PolarHBondContact OG1-OD1 2.89Å; T398-Y432 HydrophobicContact CG2-CD2 4.03Å; T398-Y432 HydrophobicContact CG2-CE2 3.84Å; T398-Y450 HydrophobicContact CG2-CD2 3.61Å; T398-Y450 HydrophobicContact CG2-CE1 4.41Å; T398-Y450 HydrophobicContact CG2-CE2 3.32Å; T398-Y450 HydrophobicContact CG2-CG 4.29Å | ||
| 399 | A | 72.1 | Confident | 82.2 | Confident | 60 Ų | 60 | 55.4 Ų | 55.4 | 50% | 0.496 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | 124.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A401 D430 | A399-A401 VanDerWaalsContact C-N 3.3Å; A399-A401 PolarHBondContact O-N 3.07Å; A399-D430 VanDerWaalsContact CA-CG 3.43Å; A399-D430 WeakPolarHBondContact CA-OD1 3.44Å; A399-D430 HydrophobicContact CB-CB 4.03Å; A399-D430 PolarHBondContact N-OD1 2.85Å |
| 400 | A | 69.5 | Low | 82.5 | Confident | 88 Ų | 88 | 52.6 Ų | 52.6 | 73% | 0.727 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 9.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | K373 T398 G402 | K373-A400 WeakPolarHBondContact CD-O 3.45Å; T398-A400 PolarHBondContact O-N 3.34Å; A400-G402 VanDerWaalsContact C-N 3.31Å |
| 401 | A | 66.8 | Low | 82.7 | Confident | 4 Ų | 4 | 47.9 Ų | 47.9 | 3% | 0.033 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -76.3 | -15.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114 | D370 K373 A374 T398 A399 Y450 | D370-A401 PolarHBondContact N-O 2.77Å; K373-A401 HydrophobicContact CB-CB 4.06Å; A374-A401 HydrophobicContact CB-CB 4.31Å; T398-A401 VanDerWaalsContact O-CB 3.25Å; T398-A401 WeakPolarHBondContact O-CB 3.1Å; T398-A401 PolarHBondContact O-N 3.26Å; A399-A401 VanDerWaalsContact C-N 3.3Å; A399-A401 PolarHBondContact O-N 3.07Å; A401-Y450 HydrophobicContact CB-CD1 3.73Å; A401-Y450 HydrophobicContact CB-CE1 3.53Å |
| 402 | G | 64.8 | Low | 82.6 | Confident | 37 Ų | 37 | 40.7 Ų | 40.7 | 38% | 0.381 | 25% | 0.254 | S | S | . | . | trans | 87.2 | 177.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A400 G404 Y450 | A400-G402 VanDerWaalsContact C-N 3.31Å; G402-G404 PolarHBondContact O-N 2.77Å; G402-Y450 WeakPolarHBondContact O-CE1 3.19Å; G402-Y450 PolarHBondContact O-OH 3.22Å | ||
| 403 | P | 61.2 | Low | 82.2 | Confident | 119 Ų | 119 | 42.4 Ų | 42.4 | 77% | 0.773 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -67.1 | 128.9 | -178.5 | 27.4 | -33.9 | 0 | 0 | 0 | 111.6 | ||
| 404 | G | 70.2 | Confident | 81.9 | Confident | 22 Ų | 22 | 44.2 Ų | 44.2 | 23% | 0.227 | 28% | 0.275 | C | S | . | . | trans | -173.9 | 164.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G402 Y450 | G402-G404 PolarHBondContact O-N 2.77Å; G404-Y450 VanDerWaalsContact C-CE2 3.47Å; G404-Y450 PolarHBondContact N-OH 2.88Å; G404-Y450 VanDerWaalsContact N-OH 3.15Å; G404-Y450 WeakPolarHBondContact O-CE2 3.32Å; G404-Y450 VanDerWaalsContact O-CZ 3.26Å; G404-Y450 PolarHBondContact O-OH 2.72Å | ||
| 405 | N | 79.8 | Confident | 81.1 | Confident | 132 Ų | 132 | 46.6 Ų | 46.6 | 71% | 0.706 | 30% | 0.299 | S | S | * | . | trans | -99.7 | 147 | 172.1 | -71.6 | -27.8 | 0 | 0 | 0 | 110.5 | Y450 A451 | N405-Y450 WeakPolarHBondContact O-CA 3.49Å; N405-Y450 WeakPolarHBondContact O-CD2 3.48Å; N405-A451 PolarHBondContact O-N 3.14Å | ||
| 406 | A | 82.5 | Confident | 80.5 | Confident | 16 Ų | 16 | 51 Ų | 51 | 13% | 0.132 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 137.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | I396 Y432 F449 Y450 | I396-A406 HydrophobicContact CD1-CB 4.06Å; A406-Y432 HydrophobicContact CB-CD1 4.07Å; A406-Y432 HydrophobicContact CB-CD2 4.09Å; A406-Y432 HydrophobicContact CB-CE1 4.22Å; A406-Y432 HydrophobicContact CB-CE2 4.28Å; A406-Y432 HydrophobicContact CB-CG 4.01Å; A406-F449 WeakPolarHBondContact CA-O 3.2Å; A406-Y450 HydrophobicContact CB-CD2 4.06Å |
| 407 | D | 87.6 | Confident | 79.7 | Confident | 78 Ų | 78 | 57.9 Ų | 57.9 | 42% | 0.417 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 154.3 | 176 | -176.9 | 27.6 | 0 | 0 | 0 | 110.5 | F449 | D407-F449 HydrophobicContact CB-CB 4.39Å; D407-F449 PolarHBondContact N-O 2.89Å; D407-F449 PolarHBondContact O-N 2.81Å |
| 408 | C | 90 | Very high | 79 | Confident | 6 Ų | 6 | 60 Ų | 60 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 130.7 | -177.7 | -178.4 | 0 | 0 | 0 | 0 | 111.9 | P422 I424 V434 N447 | C408-P422 HydrophobicContact CB-CG 4.1Å; C408-P422 VanDerWaalsContact O-CG 3.27Å; C408-P422 WeakPolarHBondContact O-CG 3.25Å; C408-I424 HydrophobicContact CB-CD1 3.9Å; C408-I424 HydrophobicContact CB-CG1 4.48Å; C408-V434 HydrophobicContact CB-CG1 4.11Å; C408-N447 CarbonylContact C-O 3.49Å; C408-N447 VanDerWaalsContact CA-O 3.31Å; C408-N447 WeakPolarHBondContact CA-O 3.39Å |
| 409 | V | 88.2 | Confident | 78.4 | Confident | 16 Ų | 16 | 61 Ų | 61 | 10% | 0.097 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 119.9 | 178.1 | 175.6 | 0 | 0 | 0 | 0 | 109.8 | L411 R417 N447 F449 | V409-L411 HydrophobicContact CG1-CD2 4.11Å; V409-R417 HydrophobicContact CG1-CG 3.87Å; V409-N447 HydrophobicContact CB-CB 4.22Å; V409-N447 PolarHBondContact N-O 2.05Å; V409-N447 WeakPolarHBondContact O-CB 3.2Å; V409-N447 PolarHBondContact O-N 2.78Å; V409-N447 PolarHBondContact O-ND2 3.29Å; V409-F449 HydrophobicContact CB-CE2 4.49Å; V409-F449 HydrophobicContact CG2-CE2 4.35Å |
| 410 | I | 89.6 | Confident | 78.8 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 122.7 | 177.8 | -57.7 | -178.3 | 0 | 0 | 0 | 108.1 | I420 P422 Y436 S445 V446 | I410-I420 HydrophobicContact CB-CB 4.39Å; I410-I420 HydrophobicContact CB-CG2 4.2Å; I410-I420 HydrophobicContact CD1-CG2 4.08Å; I410-I420 HydrophobicContact CG2-CB 4.16Å; I410-I420 HydrophobicContact CG2-CD1 4.18Å; I410-I420 HydrophobicContact CG2-CG2 4Å; I410-P422 HydrophobicContact CD1-CB 4.02Å; I410-P422 HydrophobicContact CD1-CG 4.41Å; I410-P422 HydrophobicContact CG1-CG 4.39Å; I410-Y436 HydrophobicContact CD1-CD1 3.35Å; I410-Y436 HydrophobicContact CD1-CD2 3.59Å; I410-Y436 HydrophobicContact CD1-CE1 3.77Å; I410-Y436 HydrophobicContact CD1-CE2 3.99Å; I410-Y436 HydrophobicContact CD1-CG 3.23Å; I410-S445 WeakPolarHBondContact CA-O 3.43Å; I410-V446 HydrophobicContact CG1-CG1 4.26Å; I410-V446 HydrophobicContact CG1-CG2 4.29Å |
| 411 | L | 85.9 | Confident | 79.5 | Confident | 50 Ų | 50 | 62.4 Ų | 62.4 | 26% | 0.262 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 133.3 | 169.7 | -52.3 | 177.5 | 0 | 0 | 0 | 109 | V409 R417 H444 S445 | V409-L411 HydrophobicContact CG1-CD2 4.11Å; L411-R417 HydrophobicContact CD2-CB 4.12Å; L411-H444 WeakPolarHBondContact O-CA 3.32Å; L411-S445 PolarHBondContact N-O 2.93Å; L411-S445 PolarHBondContact O-N 3.36Å |
| 412 | D | 86.7 | Confident | 80.4 | Confident | 5 Ų | 5 | 63.7 Ų | 63.7 | 3% | 0.027 | 35% | 0.349 | C | S | . | . | trans | -73.9 | 174.3 | 169.9 | 69.6 | 21.4 | 0 | 0 | 0 | 111.9 | H414 G415 R416 S419 I420 | D412-H414 PolarHBondContact O-N 2.96Å; D412-H414 WeakPolarHBondContact OD1-CA 3.19Å; D412-H414 WeakPolarHBondContact OD1-CB 3.16Å; D412-H414 PolarHBondContact OD1-N 3.07Å; D412-G415 PolarHBondContact O-N 2.87Å; D412-G415 PolarHBondContact OD1-N 3.32Å; D412-G415 VanDerWaalsContact OD1-N 3.07Å; D412-R416 PolarHBondContact N-O 2.8Å; D412-R416 PolarHBondContact OD1-N 3Å; D412-R416 IonicContact OD1-NE 2.7Å; D412-R416 WeakPolarHBondContact OD2-CB 3.46Å; D412-R416 IonicContact OD2-CZ 3.83Å; D412-R416 IonicContact OD2-NE 3.57Å; D412-R416 PolarHBondContact OD2-NE 3.03Å; D412-R416 IonicContact OD2-NH2 2.63Å; D412-R416 PolarHBondContact OD2-NH2 3.46Å; D412-S419 VanDerWaalsContact OD2-CB 3.28Å; D412-S419 WeakPolarHBondContact OD2-CB 3.41Å; D412-S419 PolarHBondContact OD2-OG 2.88Å; D412-I420 HydrophobicContact CB-CD1 4.33Å | ||
| 413 | P | 84.9 | Confident | 81.5 | Confident | 46 Ų | 46 | 66.6 Ų | 66.6 | 30% | 0.299 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -5.8 | -179.2 | -22.3 | 35.7 | 0 | 0 | 0 | 114.6 | D440 L443 | P413-D440 HydrophobicContact CG-CB 4.45Å; P413-L443 WeakPolarHBondContact CA-O 3.36Å |
| 414 | H | 86.7 | Confident | 82.9 | Confident | 136 Ų | 136 | 63.5 Ų | 63.5 | 63% | 0.63 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | 2.8 | 174.4 | -55.3 | -59.1 | 0 | 0 | 0 | 112.7 | D412 R416 | D412-H414 PolarHBondContact O-N 2.96Å; D412-H414 WeakPolarHBondContact OD1-CA 3.19Å; D412-H414 WeakPolarHBondContact OD1-CB 3.16Å; D412-H414 PolarHBondContact OD1-N 3.07Å; H414-R416 HydrophobicContact CB-CG 4.41Å |
| 415 | G | 78.5 | Confident | 83.5 | Confident | 49 Ų | 49 | 65.5 Ų | 65.5 | 51% | 0.505 | 34% | 0.339 | S | S | . | . | trans | 78.3 | 13.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D412 | D412-G415 PolarHBondContact O-N 2.87Å; D412-G415 PolarHBondContact OD1-N 3.32Å; D412-G415 VanDerWaalsContact OD1-N 3.07Å | ||
| 416 | R | 78.1 | Confident | 83.8 | Confident | 123 Ų | 123 | 66.4 Ų | 66.4 | 46% | 0.464 | 33% | 0.332 | S | S | . | . | trans | -82.3 | 138.7 | -179.6 | -53.6 | 173 | -63.5 | -164.6 | 0.5 | 110.1 | D412 H414 D440 | D412-R416 PolarHBondContact N-O 2.8Å; D412-R416 PolarHBondContact OD1-N 3Å; D412-R416 IonicContact OD1-NE 2.7Å; D412-R416 WeakPolarHBondContact OD2-CB 3.46Å; D412-R416 IonicContact OD2-CZ 3.83Å; D412-R416 IonicContact OD2-NE 3.57Å; D412-R416 PolarHBondContact OD2-NE 3.03Å; D412-R416 IonicContact OD2-NH2 2.63Å; D412-R416 PolarHBondContact OD2-NH2 3.46Å; H414-R416 HydrophobicContact CB-CG 4.41Å; R416-D440 IonicContact NH2-OD2 3.46Å; R416-D440 PolarHBondContact NH2-OD2 3.41Å | ||
| 417 | R | 75.3 | Confident | 83.5 | Confident | 145 Ų | 145 | 70.9 Ų | 70.9 | 55% | 0.547 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -86.1 | -30.9 | -178.5 | 179.7 | 166.6 | -173.7 | -175.7 | 1.2 | 113.8 | V409 L411 | V409-R417 HydrophobicContact CG1-CG 3.87Å; L411-R417 HydrophobicContact CD2-CB 4.12Å |
| 418 | D | 75.3 | Confident | 82.9 | Confident | 127 Ų | 127 | 68.8 Ų | 68.8 | 68% | 0.679 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -95.6 | -6.5 | -166.5 | -51.4 | -68.4 | 0 | 0 | 0 | 114.3 | ||
| 419 | S | 72.7 | Confident | 82.1 | Confident | 22 Ų | 22 | 76.4 Ų | 76.4 | 15% | 0.154 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -70.5 | -32.1 | -179.2 | 52.1 | 0 | 0 | 0 | 0 | 112.6 | D412 K439 | D412-S419 VanDerWaalsContact OD2-CB 3.28Å; D412-S419 WeakPolarHBondContact OD2-CB 3.41Å; D412-S419 PolarHBondContact OD2-OG 2.88Å; S419-K439 WeakPolarHBondContact O-CD 3.3Å; S419-K439 WeakPolarHBondContact O-CE 3.32Å; S419-K439 PolarHBondContact O-NZ 3.13Å |
| 420 | I | 80.9 | Confident | 81.8 | Confident | 4 Ų | 4 | 79.4 Ų | 79.4 | 2% | 0.021 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -131.1 | 97.7 | -178.8 | -59.1 | 162.9 | 0 | 0 | 0 | 109.2 | I410 D412 P422 Y436 P438 K439 H444 | I410-I420 HydrophobicContact CB-CB 4.39Å; I410-I420 HydrophobicContact CB-CG2 4.2Å; I410-I420 HydrophobicContact CD1-CG2 4.08Å; I410-I420 HydrophobicContact CG2-CB 4.16Å; I410-I420 HydrophobicContact CG2-CD1 4.18Å; I410-I420 HydrophobicContact CG2-CG2 4Å; D412-I420 HydrophobicContact CB-CD1 4.33Å; I420-P422 WeakPolarHBondContact O-CD 3.44Å; I420-Y436 HydrophobicContact CG2-CD2 3.78Å; I420-Y436 HydrophobicContact CG2-CG 4.28Å; I420-P438 HydrophobicContact CD1-CB 4.38Å; I420-K439 HydrophobicContact CG1-CG 4.47Å; I420-H444 WeakPolarHBondContact CD1-CD2 3.09Å; I420-H444 VanDerWaalsContact CD1-NE2 3.31Å; I420-H444 WeakPolarHBondContact CD1-NE2 3.47Å |
| 421 | K | 84.5 | Confident | 81.7 | Confident | 172 Ų | 172 | 80.8 Ų | 80.8 | 75% | 0.748 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -84.4 | 117.3 | 172.7 | -66.1 | -172.6 | 177.4 | -175.2 | 0 | 110 | ||
| 422 | P | 85.8 | Confident | 81.9 | Confident | 32 Ų | 32 | 79.3 Ų | 79.3 | 21% | 0.208 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 146 | 172.9 | 30.8 | -32.5 | 0 | 0 | 0 | 111.5 | C408 I410 I420 V434 E435 | C408-P422 HydrophobicContact CB-CG 4.1Å; C408-P422 VanDerWaalsContact O-CG 3.27Å; C408-P422 WeakPolarHBondContact O-CG 3.25Å; I410-P422 HydrophobicContact CD1-CB 4.02Å; I410-P422 HydrophobicContact CD1-CG 4.41Å; I410-P422 HydrophobicContact CG1-CG 4.39Å; I420-P422 WeakPolarHBondContact O-CD 3.44Å; P422-V434 HydrophobicContact CB-CG1 3.81Å; P422-E435 CarbonylContact C-O 3.53Å; P422-E435 WeakPolarHBondContact CA-O 3.35Å |
| 423 | L | 86.9 | Confident | 82.2 | Confident | 97 Ų | 97 | 80.1 Ų | 80.1 | 51% | 0.508 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 122.4 | 170.2 | 176.6 | 64.5 | 0 | 0 | 0 | 109.1 | V434 E435 | L423-V434 CarbonylContact O-C 3.59Å; L423-V434 WeakPolarHBondContact O-CA 3.37Å; L423-E435 PolarHBondContact N-O 2.56Å; L423-E435 PolarHBondContact O-N 2.76Å |
| 424 | I | 90.3 | Very high | 82.5 | Confident | 55 Ų | 55 | 77.9 Ų | 77.9 | 28% | 0.282 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 122 | 178 | -52.1 | -179.6 | 0 | 0 | 0 | 109.1 | C408 Y432 L433 V434 | C408-I424 HydrophobicContact CB-CD1 3.9Å; C408-I424 HydrophobicContact CB-CG1 4.48Å; I424-Y432 HydrophobicContact CG2-CD1 4.17Å; I424-L433 CarbonylContact C-O 3.49Å; I424-L433 WeakPolarHBondContact CA-O 3.44Å; I424-V434 HydrophobicContact CG1-CG1 4.31Å; I424-V434 HydrophobicContact CG1-CG2 4.21Å; I424-V434 HydrophobicContact CG2-CG2 4.36Å |
| 425 | T | 84.1 | Confident | 82.8 | Confident | 63 Ų | 63 | 73.1 Ų | 73.1 | 39% | 0.387 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 118 | -178.8 | -60.7 | 0 | 0 | 0 | 0 | 110.2 | Q427 Y432 L433 | T425-Q427 PolarHBondContact O-N 2.8Å; T425-Y432 CarbonylContact O-C 3.33Å; T425-L433 PolarHBondContact N-O 2.88Å; T425-L433 PolarHBondContact O-N 2.79Å |
| 426 | R | 84.8 | Confident | 83.5 | Confident | 151 Ų | 151 | 71.1 Ų | 71.1 | 57% | 0.57 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 119.6 | 176.9 | -168.3 | 176.3 | -172.8 | 177.2 | 7.3 | 110.1 | G428 E429 Y432 | R426-G428 WeakPolarHBondContact CG-O 3.48Å; R426-G428 PolarHBondContact NE-O 2.97Å; R426-E429 PolarHBondContact NH2-O 2.82Å; R426-Y432 HydrophobicContact CB-CD1 3.92Å; R426-Y432 HydrophobicContact CB-CE1 4.04Å; R426-Y432 HydrophobicContact CG-CD1 4.04Å; R426-Y432 HydrophobicContact CG-CE1 3.89Å; R426-Y432 HydrophobicContact CG-CG 4.48Å |
| 427 | Q | 75.8 | Confident | 84.1 | Confident | 110 Ų | 110 | 68 Ų | 68 | 51% | 0.514 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -5.7 | -178.2 | -73.6 | -163.5 | -23.4 | 0 | 0 | 114 | T425 N431 L433 | T425-Q427 PolarHBondContact O-N 2.8Å; Q427-N431 PolarHBondContact N-O 2.77Å; Q427-L433 HydrophobicContact CG-CB 3.89Å |
| 428 | G | 75.2 | Confident | 84.7 | Confident | 34 Ų | 34 | 61.1 Ų | 61.1 | 35% | 0.351 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.9 | -173.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R426 D430 N431 | R426-G428 WeakPolarHBondContact CG-O 3.48Å; R426-G428 PolarHBondContact NE-O 2.97Å; G428-D430 VanDerWaalsContact C-N 3.28Å; G428-D430 PolarHBondContact O-N 2.81Å; G428-N431 PolarHBondContact N-O 3.45Å |
| 429 | E | 73.6 | Confident | 85.1 | Confident | 167 Ų | 167 | 61.5 Ų | 61.5 | 78% | 0.78 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -42.5 | 176.3 | -66.3 | -171.1 | 124.6 | 0 | 0 | 111.4 | R426 | R426-E429 PolarHBondContact NH2-O 2.82Š|
| 430 | D | 82.9 | Confident | 85.7 | Confident | 79 Ų | 79 | 62.5 Ų | 62.5 | 42% | 0.422 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | 19.4 | -175.6 | -83.6 | -40.1 | 0 | 0 | 0 | 115.3 | F397 T398 A399 G428 | F397-D430 WeakPolarHBondContact CA-O 3.48Å; T398-D430 PolarHBondContact N-O 2.69Å; T398-D430 VanDerWaalsContact OG1-CA 3.3Å; T398-D430 WeakPolarHBondContact OG1-CA 3.33Å; T398-D430 PolarHBondContact OG1-O 2.82Å; T398-D430 PolarHBondContact OG1-OD1 2.89Å; A399-D430 VanDerWaalsContact CA-CG 3.43Å; A399-D430 WeakPolarHBondContact CA-OD1 3.44Å; A399-D430 HydrophobicContact CB-CB 4.03Å; A399-D430 PolarHBondContact N-OD1 2.85Å; G428-D430 VanDerWaalsContact C-N 3.28Å; G428-D430 PolarHBondContact O-N 2.81Å |
| 431 | N | 87.3 | Confident | 86 | Confident | 30 Ų | 30 | 68 Ų | 68 | 16% | 0.16 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 135.1 | -174.8 | -175.7 | 29.9 | 0 | 0 | 0 | 113.8 | I396 F397 Q427 G428 | I396-N431 WeakPolarHBondContact O-CA 3.39Å; I396-N431 PolarHBondContact O-OD1 3.42Å; F397-N431 HydrophobicContact CD1-CB 4.31Å; Q427-N431 PolarHBondContact N-O 2.77Å; G428-N431 PolarHBondContact N-O 3.45Å |
| 432 | Y | 89.8 | Confident | 85.9 | Confident | 18 Ų | 18 | 60.7 Ų | 60.7 | 7% | 0.071 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 123.4 | 176.8 | -58.3 | -109.7 | 0 | 0 | 0 | 110.3 | N395 I396 T398 A406 I424 T425 R426 | N395-Y432 CarbonylContact C-O 3.56Å; N395-Y432 VanDerWaalsContact CA-O 3.32Å; N395-Y432 WeakPolarHBondContact CA-O 3.14Å; I396-Y432 PolarHBondContact N-O 3.2Å; I396-Y432 PolarHBondContact O-N 3.11Å; T398-Y432 HydrophobicContact CG2-CD2 4.03Å; T398-Y432 HydrophobicContact CG2-CE2 3.84Å; A406-Y432 HydrophobicContact CB-CD1 4.07Å; A406-Y432 HydrophobicContact CB-CD2 4.09Å; A406-Y432 HydrophobicContact CB-CE1 4.22Å; A406-Y432 HydrophobicContact CB-CE2 4.28Å; A406-Y432 HydrophobicContact CB-CG 4.01Å; I424-Y432 HydrophobicContact CG2-CD1 4.17Å; T425-Y432 CarbonylContact O-C 3.33Å; R426-Y432 HydrophobicContact CB-CD1 3.92Å; R426-Y432 HydrophobicContact CB-CE1 4.04Å; R426-Y432 HydrophobicContact CG-CD1 4.04Å; R426-Y432 HydrophobicContact CG-CE1 3.89Å; R426-Y432 HydrophobicContact CG-CG 4.48Å |
| 433 | L | 92.5 | Very high | 86.2 | Confident | 22 Ų | 22 | 63.9 Ų | 63.9 | 12% | 0.115 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 138.2 | 167.8 | 174.3 | 70.2 | 0 | 0 | 0 | 109.6 | F393 N395 I424 T425 Q427 E435 | F393-L433 HydrophobicContact CB-CD1 3.95Å; F393-L433 HydrophobicContact CD2-CD1 3.77Å; F393-L433 HydrophobicContact CG-CD1 4.23Å; N395-L433 VanDerWaalsContact OD1-CD1 3.22Å; N395-L433 WeakPolarHBondContact OD1-CD1 3.41Å; I424-L433 CarbonylContact C-O 3.49Å; I424-L433 WeakPolarHBondContact CA-O 3.44Å; T425-L433 PolarHBondContact N-O 2.88Å; T425-L433 PolarHBondContact O-N 2.79Å; Q427-L433 HydrophobicContact CG-CB 3.89Å; L433-E435 HydrophobicContact CD1-CG 4.27Å; L433-E435 HydrophobicContact CD2-CG 3.91Å; L433-E435 HydrophobicContact CG-CG 3.92Å |
| 434 | V | 91.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 127.1 | 172.4 | -173.3 | 0 | 0 | 0 | 0 | 109.2 | F393 F394 I396 C408 P422 L423 I424 | F393-V434 CarbonylContact C-O 3.53Å; F393-V434 WeakPolarHBondContact CA-O 3.18Å; F394-V434 HydrophobicContact CD1-CB 4.06Å; F394-V434 HydrophobicContact CD1-CG1 4.36Å; F394-V434 HydrophobicContact CD2-CB 4.26Å; F394-V434 HydrophobicContact CD2-CG2 4.41Å; F394-V434 HydrophobicContact CE1-CB 3.68Å; F394-V434 HydrophobicContact CE1-CG1 3.59Å; F394-V434 HydrophobicContact CE1-CG2 4.45Å; F394-V434 HydrophobicContact CE2-CB 3.9Å; F394-V434 HydrophobicContact CE2-CG1 4.41Å; F394-V434 HydrophobicContact CE2-CG2 3.84Å; F394-V434 HydrophobicContact CG-CB 4.35Å; F394-V434 HydrophobicContact CZ-CB 3.6Å; F394-V434 HydrophobicContact CZ-CG1 3.63Å; F394-V434 HydrophobicContact CZ-CG2 3.87Å; F394-V434 PolarHBondContact N-O 3.4Å; F394-V434 PolarHBondContact O-N 3.29Å; I396-V434 HydrophobicContact CD1-CG2 3.61Å; I396-V434 HydrophobicContact CG1-CG2 4.03Å; C408-V434 HydrophobicContact CB-CG1 4.11Å; P422-V434 HydrophobicContact CB-CG1 3.81Å; L423-V434 CarbonylContact O-C 3.59Å; L423-V434 WeakPolarHBondContact O-CA 3.37Å; I424-V434 HydrophobicContact CG1-CG1 4.31Å; I424-V434 HydrophobicContact CG1-CG2 4.21Å; I424-V434 HydrophobicContact CG2-CG2 4.36Å |
| 435 | E | 93.4 | Very high | 86.4 | Confident | 36 Ų | 36 | 58.3 Ų | 58.3 | 17% | 0.168 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 143.3 | -179.3 | -58.9 | -164.3 | 73.1 | 0 | 0 | 112.3 | R391 T392 F393 P422 L423 L433 | R391-E435 IonicContact CZ-OE1 3.86Å; R391-E435 IonicContact CZ-OE2 3.4Å; R391-E435 IonicContact NE-OE1 3.35Å; R391-E435 PolarHBondContact NE-OE1 2.8Å; R391-E435 IonicContact NH2-OE1 2.79Å; R391-E435 PolarHBondContact NH2-OE1 2.9Å; R391-E435 IonicContact NH2-OE2 2.7Å; R391-E435 PolarHBondContact NH2-OE2 3.24Å; T392-E435 WeakPolarHBondContact O-CA 3.48Å; F393-E435 HydrophobicContact CB-CG 3.92Å; P422-E435 CarbonylContact C-O 3.53Å; P422-E435 WeakPolarHBondContact CA-O 3.35Å; L423-E435 PolarHBondContact N-O 2.56Å; L423-E435 PolarHBondContact O-N 2.76Å; L433-E435 HydrophobicContact CD1-CG 4.27Å; L433-E435 HydrophobicContact CD2-CG 3.91Å; L433-E435 HydrophobicContact CG-CG 3.92Å |
| 436 | Y | 93.1 | Very high | 86.8 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 2% | 0.024 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 168.9 | 174.6 | 75.1 | -86.4 | 0 | 0 | 0 | 113.1 | G380 R391 T392 I410 I420 P438 | G380-Y436 WeakPolarHBondContact O-CE1 3.16Å; G380-Y436 PolarHBondContact O-OH 2.94Å; R391-Y436 CarbonylContact C-O 3.46Å; R391-Y436 WeakPolarHBondContact CA-O 3.48Å; T392-Y436 HydrophobicContact CG2-CD1 3.84Å; T392-Y436 HydrophobicContact CG2-CD2 4.23Å; T392-Y436 HydrophobicContact CG2-CE1 3.48Å; T392-Y436 VanDerWaalsContact CG2-CE1 3.48Å; T392-Y436 HydrophobicContact CG2-CE2 3.9Å; T392-Y436 HydrophobicContact CG2-CG 4.21Å; T392-Y436 PolarHBondContact N-O 3.41Å; T392-Y436 PolarHBondContact O-N 2.95Å; I410-Y436 HydrophobicContact CD1-CD1 3.35Å; I410-Y436 HydrophobicContact CD1-CD2 3.59Å; I410-Y436 HydrophobicContact CD1-CE1 3.77Å; I410-Y436 HydrophobicContact CD1-CE2 3.99Å; I410-Y436 HydrophobicContact CD1-CG 3.23Å; I420-Y436 HydrophobicContact CG2-CD2 3.78Å; I420-Y436 HydrophobicContact CG2-CG 4.28Å; Y436-P438 HydrophobicContact CE2-CB 4.14Å; Y436-P438 HydrophobicContact CE2-CG 4.25Å |
| 437 | T | 90.9 | Very high | 87.1 | Confident | 59 Ų | 59 | 49.3 Ų | 49.3 | 36% | 0.362 | 26% | 0.259 | S | S | . | . | trans | -128.7 | 115.8 | 172.5 | -58.4 | 0 | 0 | 0 | 0 | 109.1 | R391 | R391-T437 WeakPolarHBondContact CA-OG1 3.2Š| ||
| 438 | P | 87.1 | Confident | 87.8 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -73.9 | 141.4 | 176.5 | 30.6 | -32.9 | 0 | 0 | 0 | 111.4 | G389 R390 I420 Y436 V464 | G389-P438 PolarHBondContact N-O 2.87Å; R390-P438 WeakPolarHBondContact O-CD 3.16Å; I420-P438 HydrophobicContact CD1-CB 4.38Å; Y436-P438 HydrophobicContact CE2-CB 4.14Å; Y436-P438 HydrophobicContact CE2-CG 4.25Å; P438-V464 HydrophobicContact CB-CB 4.39Å; P438-V464 HydrophobicContact CB-CG1 3.88Å; P438-V464 HydrophobicContact CB-CG2 3.71Å; P438-V464 HydrophobicContact CG-CG1 3.76Å; P438-V464 HydrophobicContact CG-CG2 3.91Å | ||
| 439 | K | 85.1 | Confident | 88.5 | Confident | 134 Ų | 134 | 44.9 Ų | 44.9 | 58% | 0.583 | 23% | 0.228 | S | C | * | . | trans | -104.2 | -34.2 | -172.9 | -68.1 | -179.3 | 179.6 | 168.1 | 0 | 114.1 | V388 S419 I420 | V388-K439 WeakPolarHBondContact CG1-O 3.31Å; S419-K439 WeakPolarHBondContact O-CD 3.3Å; S419-K439 WeakPolarHBondContact O-CE 3.32Å; S419-K439 PolarHBondContact O-NZ 3.13Å; I420-K439 HydrophobicContact CG1-CG 4.47Å | ||
| 440 | D | 84.4 | Confident | 88.9 | Confident | 44 Ų | 44 | 37.3 Ų | 37.3 | 24% | 0.235 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -108.4 | 158.4 | -175.7 | -58.9 | -42.4 | 0 | 0 | 0 | 110.7 | V388 P413 R416 H444 | V388-D440 WeakPolarHBondContact CG2-O 3.46Å; P413-D440 HydrophobicContact CG-CB 4.45Å; R416-D440 IonicContact NH2-OD2 3.46Å; R416-D440 PolarHBondContact NH2-OD2 3.41Å; D440-H444 PolarHBondContact O-CE1 2.85Å; D440-H444 VanDerWaalsContact O-CE1 3.22Å |
| 441 | E | 86.3 | Confident | 88.5 | Confident | 119 Ų | 119 | 34.5 Ų | 34.5 | 56% | 0.556 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -85 | 138.6 | 173.7 | -66.6 | -172.6 | -169.9 | 0 | 0 | 111.1 | V388 P466 | V388-E441 HydrophobicContact CB-CG 4.49Å; V388-E441 HydrophobicContact CG2-CB 4.32Å; V388-E441 HydrophobicContact CG2-CG 3.51Å; E441-P466 VanDerWaalsContact OE1-CA 3.28Å; E441-P466 WeakPolarHBondContact OE1-CA 3.11Å; E441-P466 VanDerWaalsContact OE1-CB 3.32Å; E441-P466 WeakPolarHBondContact OE1-CB 3.38Å |
| 442 | G | 84.1 | Confident | 87.8 | Confident | 19 Ų | 19 | 36.6 Ų | 36.6 | 20% | 0.196 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 122.4 | -166.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | H444 V464 | G442-H444 PolarHBondContact O-N 3.31Å; G442-H444 PolarHBondContact O-ND1 2.88Å; G442-V464 PolarHBondContact N-O 3.49Å; G442-V464 PolarHBondContact O-N 3.02Å |
| 443 | L | 90.7 | Very high | 87 | Confident | 99 Ų | 99 | 39.9 Ų | 39.9 | 52% | 0.518 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 112.7 | -173.4 | -178.2 | 63.3 | 0 | 0 | 0 | 111.7 | P413 M463 | P413-L443 WeakPolarHBondContact CA-O 3.36Å; L443-M463 HydrophobicContact CB-CE 4.06Å; L443-M463 HydrophobicContact CB-SD 4.25Å; L443-M463 HydrophobicContact CD1-CE 4.32Å |
| 444 | H | 89.7 | Confident | 86.6 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 155.7 | 170.7 | -68.4 | 55.6 | 0 | 0 | 0 | 110.6 | L411 I420 D440 G442 G461 V462 V464 | L411-H444 WeakPolarHBondContact O-CA 3.32Å; I420-H444 WeakPolarHBondContact CD1-CD2 3.09Å; I420-H444 VanDerWaalsContact CD1-NE2 3.31Å; I420-H444 WeakPolarHBondContact CD1-NE2 3.47Å; D440-H444 PolarHBondContact O-CE1 2.85Å; D440-H444 VanDerWaalsContact O-CE1 3.22Å; G442-H444 PolarHBondContact O-N 3.31Å; G442-H444 PolarHBondContact O-ND1 2.88Å; H444-G461 WeakPolarHBondContact O-CA 3.39Å; H444-V462 PolarHBondContact N-O 3.14Å; H444-V462 PolarHBondContact O-N 3.04Å; H444-V464 HydrophobicContact CB-CG2 4.49Å; H444-V464 VanDerWaalsContact ND1-CG2 3.31Å; H444-V464 WeakPolarHBondContact ND1-CG2 3.32Å |
| 445 | S | 91.9 | Very high | 86.5 | Confident | 34 Ų | 34 | 43 Ų | 43 | 24% | 0.238 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 109.9 | 175.9 | -179.7 | 0 | 0 | 0 | 0 | 110.5 | I410 L411 N447 | I410-S445 WeakPolarHBondContact CA-O 3.43Å; L411-S445 PolarHBondContact N-O 2.93Å; L411-S445 PolarHBondContact O-N 3.36Å; S445-N447 PolarHBondContact O-ND2 3.31Å; S445-N447 VanDerWaalsContact O-ND2 3.12Å; S445-N447 PolarHBondContact OG-ND2 2.75Å |
| 446 | V | 92.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 105 | 178.5 | -174.5 | 0 | 0 | 0 | 0 | 109 | I381 F394 I410 V448 P459 F460 V462 | I381-V446 HydrophobicContact CG2-CB 4.1Å; I381-V446 HydrophobicContact CG2-CG1 3.81Å; I381-V446 HydrophobicContact CG2-CG2 4.4Å; F394-V446 HydrophobicContact CE1-CG1 3.79Å; F394-V446 HydrophobicContact CZ-CG1 3.81Å; I410-V446 HydrophobicContact CG1-CG1 4.26Å; I410-V446 HydrophobicContact CG1-CG2 4.29Å; V446-V448 HydrophobicContact CG1-CG2 4.01Å; V446-P459 WeakPolarHBondContact O-CA 3.29Å; V446-F460 HydrophobicContact CB-CB 4.33Å; V446-F460 PolarHBondContact N-O 3.04Å; V446-F460 PolarHBondContact O-N 2.81Å; V446-V462 HydrophobicContact CG2-CG2 3.91Å |
| 447 | N | 92 | Very high | 85.2 | Confident | 26 Ų | 26 | 50 Ų | 50 | 14% | 0.139 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 125.9 | -178.8 | -61 | -103.9 | 0 | 0 | 0 | 107.9 | C408 V409 S445 F449 S458 P459 | C408-N447 CarbonylContact C-O 3.49Å; C408-N447 VanDerWaalsContact CA-O 3.31Å; C408-N447 WeakPolarHBondContact CA-O 3.39Å; V409-N447 HydrophobicContact CB-CB 4.22Å; V409-N447 PolarHBondContact N-O 2.05Å; V409-N447 WeakPolarHBondContact O-CB 3.2Å; V409-N447 PolarHBondContact O-N 2.78Å; V409-N447 PolarHBondContact O-ND2 3.29Å; S445-N447 PolarHBondContact O-ND2 3.31Å; S445-N447 VanDerWaalsContact O-ND2 3.12Å; S445-N447 PolarHBondContact OG-ND2 2.75Å; N447-F449 HydrophobicContact CB-CE2 3.7Å; N447-F449 HydrophobicContact CB-CZ 3.92Å; N447-S458 WeakPolarHBondContact CA-OG 3.29Å; N447-P459 WeakPolarHBondContact OD1-CB 3.42Å |
| 448 | V | 90.9 | Very high | 85 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 131.8 | -173.1 | -175.8 | 0 | 0 | 0 | 0 | 108.7 | F394 I396 V446 I455 S458 F460 | F394-V448 HydrophobicContact CE2-CG2 3.85Å; F394-V448 HydrophobicContact CZ-CG2 3.78Å; I396-V448 HydrophobicContact CD1-CG1 3.45Å; I396-V448 VanDerWaalsContact CD1-CG1 3.45Å; I396-V448 HydrophobicContact CG1-CG1 3.92Å; V446-V448 HydrophobicContact CG1-CG2 4.01Å; V448-I455 HydrophobicContact CB-CD1 3.88Å; V448-I455 HydrophobicContact CB-CG1 3.93Å; V448-I455 HydrophobicContact CG1-CD1 3.55Å; V448-I455 HydrophobicContact CG1-CG1 3.99Å; V448-I455 HydrophobicContact CG1-CG2 4.41Å; V448-I455 PolarHBondContact O-N 2.97Å; V448-S458 PolarHBondContact N-OG 3.16Å; V448-S458 PolarHBondContact O-OG 3.37Å; V448-F460 HydrophobicContact CB-CE2 4.35Å; V448-F460 HydrophobicContact CG2-CD2 4.17Å; V448-F460 HydrophobicContact CG2-CE2 4Å |
| 449 | F | 88.3 | Confident | 85 | Confident | 50 Ų | 50 | 51.2 Ų | 51.2 | 22% | 0.219 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 148.4 | -173 | -54.4 | -90 | 0 | 0 | 0 | 110.7 | A406 D407 V409 N447 Q453 Q454 | A406-F449 WeakPolarHBondContact CA-O 3.2Å; D407-F449 HydrophobicContact CB-CB 4.39Å; D407-F449 PolarHBondContact N-O 2.89Å; D407-F449 PolarHBondContact O-N 2.81Å; V409-F449 HydrophobicContact CB-CE2 4.49Å; V409-F449 HydrophobicContact CG2-CE2 4.35Å; N447-F449 HydrophobicContact CB-CE2 3.7Å; N447-F449 HydrophobicContact CB-CZ 3.92Å; F449-Q453 CarbonylContact C-O 3.58Å; F449-Q453 WeakPolarHBondContact CA-O 3.41Å; F449-Q454 HydrophobicContact CD1-CB 3.93Å; F449-Q454 HydrophobicContact CD1-CG 4.46Å; F449-Q454 HydrophobicContact CE1-CB 3.93Å; F449-Q454 HydrophobicContact CE1-CG 4.25Å |
| 450 | Y | 83 | Confident | 85.3 | Confident | 9 Ų | 9 | 46.1 Ų | 46.1 | 4% | 0.035 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 131.8 | 169.6 | -168.1 | -108.1 | 0 | 0 | 0 | 110 | A374 T398 A401 G402 G404 N405 A406 G452 Q453 | A374-Y450 HydrophobicContact CB-CD1 4.07Å; A374-Y450 HydrophobicContact CB-CG 3.88Å; T398-Y450 HydrophobicContact CG2-CD2 3.61Å; T398-Y450 HydrophobicContact CG2-CE1 4.41Å; T398-Y450 HydrophobicContact CG2-CE2 3.32Å; T398-Y450 HydrophobicContact CG2-CG 4.29Å; A401-Y450 HydrophobicContact CB-CD1 3.73Å; A401-Y450 HydrophobicContact CB-CE1 3.53Å; G402-Y450 WeakPolarHBondContact O-CE1 3.19Å; G402-Y450 PolarHBondContact O-OH 3.22Å; G404-Y450 VanDerWaalsContact C-CE2 3.47Å; G404-Y450 PolarHBondContact N-OH 2.88Å; G404-Y450 VanDerWaalsContact N-OH 3.15Å; G404-Y450 WeakPolarHBondContact O-CE2 3.32Å; G404-Y450 VanDerWaalsContact O-CZ 3.26Å; G404-Y450 PolarHBondContact O-OH 2.72Å; N405-Y450 WeakPolarHBondContact O-CA 3.49Å; N405-Y450 WeakPolarHBondContact O-CD2 3.48Å; A406-Y450 HydrophobicContact CB-CD2 4.06Å; Y450-G452 PolarHBondContact O-N 3.28Å; Y450-G452 VanDerWaalsContact O-N 3.17Å; Y450-Q453 PolarHBondContact N-O 3.38Å; Y450-Q453 PolarHBondContact O-N 3.24Å; Y450-Q453 VanDerWaalsContact O-O 3.14Å |
| 451 | A | 74 | Confident | 85.6 | Confident | 19 Ų | 19 | 46 Ų | 46 | 16% | 0.157 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 33 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N405 Q453 | N405-A451 PolarHBondContact O-N 3.14Å; A451-Q453 PolarHBondContact O-N 2.53Å |
| 452 | G | 72.4 | Confident | 85.8 | Confident | 74 Ų | 74 | 40.3 Ų | 40.3 | 76% | 0.763 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | -4.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y450 | Y450-G452 PolarHBondContact O-N 3.28Å; Y450-G452 VanDerWaalsContact O-N 3.17Å |
| 453 | Q | 74 | Confident | 86 | Confident | 87 Ų | 87 | 43.7 Ų | 43.7 | 41% | 0.407 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 145.1 | 174.3 | -64.8 | 175.1 | 16.9 | 0 | 0 | 110.5 | G369 F449 Y450 A451 | G369-Q453 PolarHBondContact O-NE2 2.79Å; F449-Q453 CarbonylContact C-O 3.58Å; F449-Q453 WeakPolarHBondContact CA-O 3.41Å; Y450-Q453 PolarHBondContact N-O 3.38Å; Y450-Q453 PolarHBondContact O-N 3.24Å; Y450-Q453 VanDerWaalsContact O-O 3.14Å; A451-Q453 PolarHBondContact O-N 2.53Å |
| 454 | Q | 83.6 | Confident | 85.9 | Confident | 84 Ų | 84 | 39.1 Ų | 39.1 | 39% | 0.393 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 133.4 | 176.3 | -174 | 155.4 | 39.8 | 0 | 0 | 110.5 | F449 S458 | F449-Q454 HydrophobicContact CD1-CB 3.93Å; F449-Q454 HydrophobicContact CD1-CG 4.46Å; F449-Q454 HydrophobicContact CE1-CB 3.93Å; F449-Q454 HydrophobicContact CE1-CG 4.25Å; Q454-S458 PolarHBondContact NE2-OG 2.9Å |
| 455 | I | 88.9 | Confident | 85.4 | Confident | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 161.4 | -175.1 | 75 | 166.1 | 0 | 0 | 0 | 112.5 | A374 A376 V448 N457 S458 F460 | A374-I455 HydrophobicContact CB-CB 4.29Å; A374-I455 HydrophobicContact CB-CG2 3.72Å; A376-I455 HydrophobicContact CB-CD1 3.67Å; V448-I455 HydrophobicContact CB-CD1 3.88Å; V448-I455 HydrophobicContact CB-CG1 3.93Å; V448-I455 HydrophobicContact CG1-CD1 3.55Å; V448-I455 HydrophobicContact CG1-CG1 3.99Å; V448-I455 HydrophobicContact CG1-CG2 4.41Å; V448-I455 PolarHBondContact O-N 2.97Å; I455-N457 PolarHBondContact O-N 2.79Å; I455-S458 WeakPolarHBondContact O-CB 3.5Å; I455-S458 PolarHBondContact O-N 2.97Å; I455-F460 HydrophobicContact CD1-CE2 4.34Å; I455-F460 HydrophobicContact CD1-CZ 4.42Å |
| 456 | S | 77.2 | Confident | 84.2 | Confident | 48 Ų | 48 | 42.5 Ų | 42.5 | 34% | 0.336 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 129.2 | 175.6 | -76.7 | 0 | 0 | 0 | 0 | 112.4 | S372 S458 | S372-S456 PolarHBondContact O-OG 2.85Å; S456-S458 VanDerWaalsContact C-N 3.29Å; S456-S458 PolarHBondContact O-N 2.88Å |
| 457 | N | 81.2 | Confident | 82.4 | Confident | 141 Ų | 141 | 52.1 Ų | 52.1 | 75% | 0.754 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 3.3 | -175 | -49 | -59.3 | 0 | 0 | 0 | 116.9 | I455 F460 | I455-N457 PolarHBondContact O-N 2.79Å; N457-F460 HydrophobicContact CB-CE1 3.74Å; N457-F460 HydrophobicContact CB-CZ 4.19Å; N457-F460 WeakPolarHBondContact O-CD1 3.45Å; N457-F460 WeakPolarHBondContact O-CE1 3.32Å |
| 458 | S | 87.6 | Confident | 80.1 | Confident | 16 Ų | 16 | 54.7 Ų | 54.7 | 11% | 0.112 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 143.5 | 167.2 | -173.5 | 0 | 0 | 0 | 0 | 110.8 | N447 V448 Q454 I455 S456 | N447-S458 WeakPolarHBondContact CA-OG 3.29Å; V448-S458 PolarHBondContact N-OG 3.16Å; V448-S458 PolarHBondContact O-OG 3.37Å; Q454-S458 PolarHBondContact NE2-OG 2.9Å; I455-S458 WeakPolarHBondContact O-CB 3.5Å; I455-S458 PolarHBondContact O-N 2.97Å; S456-S458 VanDerWaalsContact C-N 3.29Å; S456-S458 PolarHBondContact O-N 2.88Å |
| 459 | P | 87.8 | Confident | 77.6 | Confident | 68 Ų | 68 | 59.7 Ų | 59.7 | 44% | 0.442 | 35% | 0.351 | S | S | . | . | S | Bend | cis | -78.2 | 140.3 | 0.6 | 30.9 | -33.6 | 0 | 0 | 0 | 114.4 | V446 N447 | V446-P459 WeakPolarHBondContact O-CA 3.29Å; N447-P459 WeakPolarHBondContact OD1-CB 3.42Å |
| 460 | F | 91.4 | Very high | 75 | Confident | 28 Ų | 28 | 63.2 Ų | 63.2 | 12% | 0.123 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 119.5 | 175.2 | -53.6 | -86 | 0 | 0 | 0 | 109.9 | A376 I381 V446 V448 I455 N457 | A376-F460 HydrophobicContact CB-CE2 4.29Å; A376-F460 HydrophobicContact CB-CZ 4.19Å; I381-F460 HydrophobicContact CB-CB 3.98Å; I381-F460 HydrophobicContact CB-CD1 4.3Å; I381-F460 HydrophobicContact CB-CD2 4.33Å; I381-F460 HydrophobicContact CB-CG 3.95Å; I381-F460 HydrophobicContact CD1-CD1 4.1Å; I381-F460 HydrophobicContact CD1-CD2 4.2Å; I381-F460 HydrophobicContact CD1-CE1 3.96Å; I381-F460 HydrophobicContact CD1-CE2 4.08Å; I381-F460 HydrophobicContact CD1-CG 4.23Å; I381-F460 HydrophobicContact CD1-CZ 3.96Å; I381-F460 HydrophobicContact CG2-CB 4.08Å; I381-F460 HydrophobicContact CG2-CD2 4Å; I381-F460 HydrophobicContact CG2-CG 4.07Å; V446-F460 HydrophobicContact CB-CB 4.33Å; V446-F460 PolarHBondContact N-O 3.04Å; V446-F460 PolarHBondContact O-N 2.81Å; V448-F460 HydrophobicContact CB-CE2 4.35Å; V448-F460 HydrophobicContact CG2-CD2 4.17Å; V448-F460 HydrophobicContact CG2-CE2 4Å; I455-F460 HydrophobicContact CD1-CE2 4.34Å; I455-F460 HydrophobicContact CD1-CZ 4.42Å; N457-F460 HydrophobicContact CB-CE1 3.74Å; N457-F460 HydrophobicContact CB-CZ 4.19Å; N457-F460 WeakPolarHBondContact O-CD1 3.45Å; N457-F460 WeakPolarHBondContact O-CE1 3.32Å |
| 461 | G | 89.5 | Confident | 72.4 | Confident | 40 Ų | 40 | 69.4 Ų | 69.4 | 41% | 0.412 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 114.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | H444 | H444-G461 WeakPolarHBondContact O-CA 3.39Å |
| 462 | V | 90.7 | Very high | 70.6 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 113.6 | -175.3 | 178.3 | 0 | 0 | 0 | 0 | 110 | N386 H444 V446 V464 | N386-V462 HydrophobicContact CB-CG1 4.11Å; N386-V462 WeakPolarHBondContact ND2-CG1 3.4Å; H444-V462 PolarHBondContact N-O 3.14Å; H444-V462 PolarHBondContact O-N 3.04Å; V446-V462 HydrophobicContact CG2-CG2 3.91Å; V462-V464 HydrophobicContact CG1-CG2 4.35Å; V462-V464 PolarHBondContact O-N 2.68Å |
| 463 | M | 89.5 | Confident | 68.6 | Low | 91 Ų | 91 | 79.4 Ų | 79.4 | 45% | 0.448 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 108.4 | 175.1 | -167.5 | 64.8 | 68.1 | 0 | 0 | 110.1 | P383 T384 L443 | P383-M463 WeakPolarHBondContact O-CB 3.25Å; P383-M463 PolarHBondContact O-N 2.83Å; T384-M463 HydrophobicContact CG2-CB 4.47Å; L443-M463 HydrophobicContact CB-CE 4.06Å; L443-M463 HydrophobicContact CB-SD 4.25Å; L443-M463 HydrophobicContact CD1-CE 4.32Å |
| 464 | V | 86.7 | Confident | 66.6 | Low | 3 Ų | 3 | 79.9 Ų | 79.9 | 2% | 0.018 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 117.1 | 175.3 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | N386 V388 P438 G442 H444 V462 | N386-V464 HydrophobicContact CB-CG2 4.29Å; N386-V464 WeakPolarHBondContact O-CA 3.3Å; V388-V464 HydrophobicContact CG2-CG1 3.82Å; P438-V464 HydrophobicContact CB-CB 4.39Å; P438-V464 HydrophobicContact CB-CG1 3.88Å; P438-V464 HydrophobicContact CB-CG2 3.71Å; P438-V464 HydrophobicContact CG-CG1 3.76Å; P438-V464 HydrophobicContact CG-CG2 3.91Å; G442-V464 PolarHBondContact N-O 3.49Å; G442-V464 PolarHBondContact O-N 3.02Å; H444-V464 HydrophobicContact CB-CG2 4.49Å; H444-V464 VanDerWaalsContact ND1-CG2 3.31Å; H444-V464 WeakPolarHBondContact ND1-CG2 3.32Å; V462-V464 HydrophobicContact CG1-CG2 4.35Å; V462-V464 PolarHBondContact O-N 2.68Å |
| 465 | G | 79.8 | Confident | 64.1 | Low | 23 Ų | 23 | 81.3 Ų | 81.3 | 24% | 0.237 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 164.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N386 Q387 V388 | N386-G465 PolarHBondContact O-N 2.95Å; Q387-G465 WeakPolarHBondContact CA-O 3.29Å; V388-G465 PolarHBondContact N-O 3Å |
| 466 | P | 68.1 | Low | 61.2 | Low | 81 Ų | 81 | 85.5 Ų | 85.5 | 53% | 0.526 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 150.5 | 172.1 | 23.9 | -34.3 | 0 | 0 | 0 | 112 | E441 | E441-P466 VanDerWaalsContact OE1-CA 3.28Å; E441-P466 WeakPolarHBondContact OE1-CA 3.11Å; E441-P466 VanDerWaalsContact OE1-CB 3.32Å; E441-P466 WeakPolarHBondContact OE1-CB 3.38Å |
| 467 | R | 53.9 | Low | 59.4 | Low | 203 Ų | 203 | 88.4 Ų | 88.4 | 77% | 0.766 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 122.6 | 170.9 | -166.1 | 177.7 | -169.9 | 179.9 | 4.7 | 108.4 | ||
| 468 | P | 44 | Very low | 56.9 | Low | 79 Ų | 79 | 89.1 Ų | 89.1 | 51% | 0.513 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 134.4 | -171.6 | 25 | -33.9 | 0 | 0 | 0 | 111.5 | ||
| 469 | P | 38.4 | Very low | 54.1 | Low | 106 Ų | 106 | 94.1 Ų | 94.1 | 69% | 0.688 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 156.4 | 170.6 | 30.1 | -34.8 | 0 | 0 | 0 | 110.7 | V471 | P469-V471 PolarHBondContact O-N 2.93Š|
| 470 | P | 32.9 | Very low | 51.1 | Low | 123 Ų | 123 | 96.5 Ų | 96.5 | 80% | 0.799 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 123.1 | 178.6 | 25.6 | -33.9 | 0 | 0 | 0 | 111 | V472 | P470-V472 PolarHBondContact O-N 3.04Š|
| 471 | V | 29.7 | Very low | 47.9 | Very low | 139 Ų | 139 | 101.7 Ų | 101.7 | 84% | 0.842 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 116.4 | -176.3 | 177.3 | 0 | 0 | 0 | 0 | 110.5 | P469 | P469-V471 PolarHBondContact O-N 2.93Š|
| 472 | V | 34.9 | Very low | 44.9 | Very low | 128 Ų | 128 | 108 Ų | 108 | 78% | 0.776 | 62% | 0.616 | S | S | * | * | trans | -113.3 | 135.4 | 170.7 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | P470 S474 | P470-V472 PolarHBondContact O-N 3.04Å; V472-S474 PolarHBondContact O-N 2.91Å | ||
| 473 | Q | 31.6 | Very low | 42.2 | Very low | 176 Ų | 176 | 112.5 Ų | 112.5 | 82% | 0.822 | 65% | 0.653 | S | S | * | * | trans | -84.5 | 103.4 | 178.7 | -71.6 | -175.9 | -10.2 | 0 | 0 | 111.8 | ||||
| 474 | S | 30.4 | Very low | 39.8 | Very low | 97 Ų | 97 | 113.4 Ų | 113.4 | 68% | 0.678 | 67% | 0.665 | S | S | * | * | 40.6 | 154.2 | 123 | 62.6 | 0 | 0 | 0 | 0 | 122.2 | V472 | V472-S474 PolarHBondContact O-N 2.91Š| |||
| 475 | P | 32.7 | Very low | 37.2 | Very low | 113 Ų | 113 | 121 Ų | 121 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | cis | -148.9 | 154.3 | -28.8 | 39.4 | -20.6 | 0 | 0 | 0 | 117.7 | ||||
| 476 | A | 28.3 | Very low | 34.6 | Very low | 92 Ų | 92 | 128.6 Ų | 128.6 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | trans | 63.1 | 164.4 | 130.1 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 477 | P | 38.7 | Very low | 32.6 | Very low | 110 Ų | 110 | 128.8 Ų | 128.8 | 71% | 0.714 | 74% | 0.743 | S | S | * | * | cis | -141.8 | -174.4 | -40.3 | 38.9 | -21.9 | 0 | 0 | 0 | 115.9 | ||||
| 478 | I | 28.8 | Very low | 31.3 | Very low | 156 Ų | 156 | 125.2 Ų | 125.2 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | trans | 81.6 | 146.2 | 157.1 | -85.3 | 165.7 | 0 | 0 | 0 | 117.2 | ||||
| 479 | V | 28 | Very low | 30.3 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | cis | -171.6 | 163.3 | -27.3 | 84.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 480 | N | 25 | Very low | 30.2 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 63% | 0.631 | 76% | 0.764 | S | S | * | * | cis | -161.3 | 175.7 | 20.4 | -153.3 | 7.4 | 0 | 0 | 0 | 114.1 | ||||
| 481 | Q | 25 | Very low | 30.3 | Very low | 138 Ų | 138 | 129.7 Ų | 129.7 | 65% | 0.645 | 76% | 0.759 | S | S | * | * | trans | 50.6 | 125.1 | 147.9 | -88.4 | 175.3 | -56.4 | 0 | 0 | 124.8 | ||||
| 482 | E | 25.1 | Very low | 30.1 | Very low | 173 Ų | 173 | 133.4 Ų | 133.4 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | trans | 77.8 | 164.2 | 141.5 | -70.3 | 167.1 | -143.3 | 0 | 0 | 121.2 | ||||
| 483 | A | 34.1 | Very low | 29.7 | Very low | 94 Ų | 94 | 135.4 Ų | 135.4 | 78% | 0.777 | 76% | 0.756 | S | S | * | * | trans | -148.7 | -171.8 | -157.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 484 | P | 40.6 | Very low | 29.4 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | cis | -136.6 | -178.3 | -4.4 | 43.7 | -26.1 | 0 | 0 | 0 | 116.6 | ||||
| 485 | L | 31.4 | Very low | 29.4 | Very low | 162 Ų | 162 | 135.8 Ų | 135.8 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | trans | 70.9 | 141.7 | 158.6 | -76.4 | 167.9 | 0 | 0 | 0 | 122.5 | ||||
| 486 | Q | 25 | Very low | 29.2 | Very low | 183 Ų | 183 | 139 Ų | 139 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | 64.6 | 113.3 | 161.9 | -68.8 | -167.7 | -3.1 | 0 | 0 | 123.2 | ||||
| 487 | A | 26.4 | Very low | 29.1 | Very low | 85 Ų | 85 | 140.5 Ų | 140.5 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | 69.1 | 128.6 | 128.7 | 0 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 488 | T | 25.5 | Very low | 28.7 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | 82.1 | 121.5 | 140.2 | 39.9 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 489 | Q | 24 | Very low | 28.9 | Very low | 190 Ų | 190 | 147.4 Ų | 147.4 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | trans | 89.3 | 160 | 143.4 | -67.9 | -175.7 | 26.3 | 0 | 0 | 122.4 | ||||
| 490 | S | 37 | Very low | 29.6 | Very low | 107 Ų | 107 | 147.1 Ų | 147.1 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -100.5 | -171.7 | -159.6 | 62 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 491 | P | 33.2 | Very low | 31.3 | Very low | 105 Ų | 105 | 145.7 Ų | 145.7 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | cis | -157 | 175.5 | 26.4 | 45.8 | -22.9 | 0 | 0 | 0 | 122.3 | ||||
| 492 | R | 25.9 | Very low | 33.6 | Very low | 218 Ų | 218 | 140.8 Ų | 140.8 | 82% | 0.823 | 77% | 0.765 | S | S | * | * | trans | 75.3 | 129.4 | 138.8 | -85.9 | 169.7 | 177.5 | -174.3 | 0.9 | 125.4 | ||||
| 493 | K | 26.3 | Very low | 36.4 | Very low | 170 Ų | 170 | 135.7 Ų | 135.7 | 74% | 0.739 | 74% | 0.743 | S | S | * | * | trans | 77 | 152.4 | 143.5 | -69.2 | -177 | 176.9 | -172.6 | 0 | 118 | ||||
| 494 | M | 27 | Very low | 38.7 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 81% | 0.808 | 71% | 0.713 | S | S | * | * | cis | -154.5 | 165.6 | 17.3 | -147.8 | 159.1 | 177.2 | 0 | 0 | 115.8 | ||||
| 495 | S | 28.9 | Very low | 40.7 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | trans | 96.4 | 149.3 | 168.9 | 77.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 496 | Q | 28.4 | Very low | 43.3 | Very low | 179 Ų | 179 | 131.3 Ų | 131.3 | 84% | 0.836 | 69% | 0.693 | S | S | * | * | trans | -147 | 158.2 | -152.5 | -60.4 | 168.6 | -71.8 | 0 | 0 | 112.9 | ||||
| 497 | P | 27.4 | Very low | 46.3 | Very low | 125 Ų | 125 | 122.6 Ų | 122.6 | 81% | 0.812 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 155.3 | 132.2 | 34.5 | -30.1 | 0 | 0 | 0 | 111.1 | ||
| 498 | Q | 29.8 | Very low | 49.3 | Very low | 193 Ų | 193 | 123.3 Ų | 123.3 | 90% | 0.902 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -76 | 139.1 | -171.9 | -64.7 | 168.7 | -61.9 | 0 | 0 | 112.9 | ||
| 499 | R | 33.8 | Very low | 52.4 | Low | 217 Ų | 217 | 118 Ų | 118 | 82% | 0.819 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 158.4 | 160.8 | -70.6 | -170.8 | -178.3 | -170.1 | 0.6 | 109.9 | ||
| 500 | P | 42.5 | Very low | 55.5 | Low | 115 Ų | 115 | 110.3 Ų | 110.3 | 75% | 0.747 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -57 | 157.5 | 165.9 | -22.2 | 34.4 | 0 | 0 | 0 | 112.1 | ||
| 501 | A | 60.2 | Low | 58.1 | Low | 88 Ų | 88 | 105.4 Ų | 105.4 | 73% | 0.727 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -74.9 | -30.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | E536 | A501-E536 PolarHBondContact O-N 3.33Š|
| 502 | C | 73.8 | Confident | 61 | Low | 34 Ų | 34 | 101.3 Ų | 101.3 | 23% | 0.23 | 51% | 0.509 | C | S | . | . | B | Isolated β-bridge | trans | -154.2 | 140.1 | 179 | 178.3 | 0 | 0 | 0 | 0 | 108.5 | A534 | C502-A534 CarbonylContact C-O 3.42Å; C502-A534 WeakPolarHBondContact CA-O 3.49Å |
| 503 | D | 83.1 | Confident | 64.2 | Low | 67 Ų | 67 | 91 Ų | 91 | 36% | 0.358 | 47% | 0.47 | S | S | . | . | trans | -122.9 | 99.3 | 167.5 | -174 | -8.3 | 0 | 0 | 0 | 109.2 | K505 Q506 A534 | D503-K505 PolarHBondContact O-N 3.3Å; D503-K505 VanDerWaalsContact O-N 3.11Å; D503-K505 WeakPolarHBondContact OD1-CB 3.44Å; D503-K505 PolarHBondContact OD1-N 2.68Å; D503-Q506 HydrophobicContact CB-CG 4.05Å; D503-Q506 PolarHBondContact O-N 2.92Å; D503-A534 PolarHBondContact N-O 3.02Å; D503-A534 WeakPolarHBondContact O-CA 3.21Å; D503-A534 WeakPolarHBondContact O-CB 3.44Å | ||
| 504 | P | 82.4 | Confident | 67.4 | Low | 21 Ų | 21 | 83.5 Ų | 83.5 | 14% | 0.136 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -58.8 | -23 | -179 | -18.4 | 28 | 0 | 0 | 0 | 113.9 | A507 Y581 D584 | P504-A507 WeakPolarHBondContact O-CB 3.38Å; P504-A507 PolarHBondContact O-N 3.22Å; P504-Y581 WeakPolarHBondContact CB-O 2.99Å; P504-Y581 WeakPolarHBondContact CG-O 3.27Å; P504-D584 HydrophobicContact CB-CB 4.06Å; P504-D584 HydrophobicContact CG-CB 3.63Å |
| 505 | K | 82.6 | Confident | 70.5 | Confident | 152 Ų | 152 | 77 Ų | 77 | 66% | 0.661 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -82.1 | -15.1 | -174.4 | -61.9 | -171.9 | 176.8 | -172 | 0 | 113.9 | D503 A507 | D503-K505 PolarHBondContact O-N 3.3Å; D503-K505 VanDerWaalsContact O-N 3.11Å; D503-K505 WeakPolarHBondContact OD1-CB 3.44Å; D503-K505 PolarHBondContact OD1-N 2.68Å; K505-A507 VanDerWaalsContact C-N 3.3Å |
| 506 | Q | 85.8 | Confident | 73.4 | Confident | 100 Ų | 100 | 74.9 Ų | 74.9 | 47% | 0.467 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -80.1 | -15.9 | 168.9 | -60 | -69.6 | -15.9 | 0 | 0 | 111.8 | D503 D533 A534 | D503-Q506 HydrophobicContact CB-CG 4.05Å; D503-Q506 PolarHBondContact O-N 2.92Å; Q506-D533 HydrophobicContact CB-CB 4.05Å; Q506-D533 HydrophobicContact CG-CB 4.27Å; Q506-A534 HydrophobicContact CB-CB 4.09Å |
| 507 | A | 88.2 | Confident | 76.4 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 38% | 0.377 | C | S | . | . | trans | -83.5 | 140.3 | 173 | 0 | 0 | 0 | 0 | 0 | 110.6 | P504 K505 H530 T531 A534 Y581 I586 M587 | P504-A507 WeakPolarHBondContact O-CB 3.38Å; P504-A507 PolarHBondContact O-N 3.22Å; K505-A507 VanDerWaalsContact C-N 3.3Å; A507-H530 VanDerWaalsContact CA-O 3.27Å; A507-H530 WeakPolarHBondContact CA-O 3.13Å; A507-H530 WeakPolarHBondContact CB-O 3.34Å; A507-T531 HydrophobicContact CB-CG2 4.12Å; A507-A534 HydrophobicContact CB-CB 3.93Å; A507-Y581 HydrophobicContact CB-CD1 4.4Å; A507-Y581 HydrophobicContact CB-CG 4.38Å; A507-I586 HydrophobicContact CB-CB 4.31Å; A507-I586 HydrophobicContact CB-CG2 3.71Å; A507-M587 PolarHBondContact O-N 2.86Å | ||
| 508 | Y | 89.9 | Confident | 79.4 | Confident | 100 Ų | 100 | 66.5 Ų | 66.5 | 39% | 0.392 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 164.7 | 177.5 | 64.3 | -87.8 | 0 | 0 | 0 | 110 | T510 H530 | Y508-T510 HydrophobicContact CD2-CG2 3.98Å; Y508-T510 HydrophobicContact CE2-CG2 3.97Å; Y508-H530 HydrophobicContact CD1-CB 4.1Å; Y508-H530 HydrophobicContact CD2-CB 4.12Å; Y508-H530 AromaticContact CD2-CD2 3.64Å; Y508-H530 HydrophobicContact CE1-CB 3.67Å; Y508-H530 HydrophobicContact CE2-CB 3.68Å; Y508-H530 AromaticContact CE2-CD2 3.24Å; Y508-H530 WeakPolarHBondContact CE2-CD2 3.25Å; Y508-H530 AromaticContact CE2-CG 3.45Å; Y508-H530 VanDerWaalsContact CE2-CG 3.45Å; Y508-H530 AromaticContact CE2-NE2 3.85Å; Y508-H530 HydrophobicContact CG-CB 4.31Å; Y508-H530 VanDerWaalsContact CZ-CB 3.43Å; Y508-H530 AromaticContact CZ-CD2 3.9Å; Y508-H530 AromaticContact CZ-CG 3.58Å; Y508-H530 PolarHBondContact N-O 3.46Å; Y508-H530 PolarHBondContact O-N 2.9Å |
| 509 | A | 90.9 | Very high | 82.4 | Confident | 17 Ų | 17 | 57.3 Ų | 57.3 | 14% | 0.14 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 149.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I514 F527 K528 V529 I586 F591 | A509-I514 VanDerWaalsContact C-CD1 3.45Å; A509-I514 HydrophobicContact CB-CD1 3.63Å; A509-I514 WeakPolarHBondContact O-CD1 3.34Å; A509-F527 HydrophobicContact CB-CD2 4.39Å; A509-K528 CarbonylContact C-O 3.6Å; A509-K528 WeakPolarHBondContact CA-O 3.16Å; A509-K528 VanDerWaalsContact CB-O 3.26Å; A509-K528 WeakPolarHBondContact CB-O 3.28Å; A509-V529 HydrophobicContact CB-CG2 4.24Å; A509-I586 HydrophobicContact CB-CD1 3.69Å; A509-F591 HydrophobicContact CB-CE2 4.34Å; A509-F591 HydrophobicContact CB-CZ 4.06Å |
| 510 | T | 89.4 | Confident | 85.2 | Confident | 27 Ų | 27 | 47.2 Ų | 47.2 | 17% | 0.166 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 160.5 | 178.7 | 66 | 0 | 0 | 0 | 0 | 109.9 | Y508 F527 K528 H530 E665 | Y508-T510 HydrophobicContact CD2-CG2 3.98Å; Y508-T510 HydrophobicContact CE2-CG2 3.97Å; T510-F527 CarbonylContact O-C 3.51Å; T510-F527 VanDerWaalsContact O-CA 3.31Å; T510-F527 WeakPolarHBondContact O-CA 3.3Å; T510-F527 VanDerWaalsContact O-CB 3.31Å; T510-F527 WeakPolarHBondContact O-CB 3.22Å; T510-K528 PolarHBondContact N-O 2.74Å; T510-K528 PolarHBondContact O-N 2.76Å; T510-H530 PolarHBondContact OG1-NE2 3.49Å; T510-E665 WeakPolarHBondContact CB-OE2 3.46Å; T510-E665 PolarHBondContact OG1-OE2 2.94Å |
| 511 | G | 90.9 | Very high | 87.5 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 114.4 | -179.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I514 Q515 D526 E665 M683 | G511-I514 WeakPolarHBondContact O-CG1 3.42Å; G511-Q515 WeakPolarHBondContact O-CG 3.36Å; G511-Q515 PolarHBondContact O-NE2 2.67Å; G511-Q515 VanDerWaalsContact O-NE2 3.1Å; G511-D526 CarbonylContact C-O 3.31Å; G511-E665 PolarHBondContact N-OE2 3.3Å; G511-M683 VanDerWaalsContact C-SD 3.58Å |
| 512 | R | 93.6 | Very high | 88.9 | Confident | 20 Ų | 20 | 44.6 Ų | 44.6 | 8% | 0.075 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -75.3 | -40.1 | -163.7 | -158.4 | -179.2 | 172 | -104.8 | -9.2 | 112.7 | I514 Q515 G518 I519 D523 D526 K679 S680 P681 M683 | R512-I514 PolarHBondContact O-N 2.99Å; R512-Q515 PolarHBondContact O-N 3.19Å; R512-Q515 VanDerWaalsContact O-N 3.13Å; R512-G518 PolarHBondContact NH2-O 2.82Å; R512-G518 VanDerWaalsContact NH2-O 3.08Å; R512-I519 HydrophobicContact CB-CD1 4.44Å; R512-I519 HydrophobicContact CG-CD1 3.81Å; R512-D523 IonicContact CZ-OD2 3.62Å; R512-D523 VanDerWaalsContact CZ-OD2 3.29Å; R512-D523 IonicContact NH1-OD2 2.78Å; R512-D523 PolarHBondContact NH1-OD2 2.8Å; R512-D523 IonicContact NH2-OD2 3.39Å; R512-D523 PolarHBondContact NH2-OD2 3.09Å; R512-D526 PolarHBondContact N-O 3.35Å; R512-K679 PolarHBondContact NE-O 2.66Å; R512-K679 PolarHBondContact NH2-O 2.92Å; R512-S680 PolarHBondContact NH2-O 2.98Å; R512-P681 VanDerWaalsContact CD-O 3.31Å; R512-P681 WeakPolarHBondContact CD-O 3.25Å; R512-P681 HydrophobicContact CG-CG 4.34Å; R512-P681 PolarHBondContact NE-O 3.45Å; R512-M683 HydrophobicContact CB-CG 3.74Å; R512-M683 HydrophobicContact CB-SD 4.39Å; R512-M683 HydrophobicContact CG-CG 4.41Å |
| 513 | G | 92.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -71.7 | 6.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | D526 Y567 | G513-D526 PolarHBondContact N-O 3Å; G513-Y567 WeakPolarHBondContact O-CE1 3.39Å; G513-Y567 PolarHBondContact O-OH 2.97Å |
| 514 | I | 93.3 | Very high | 90 | Very high | 13 Ų | 13 | 46.1 Ų | 46.1 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -126.4 | 3 | 171.4 | 57.5 | 169.6 | 0 | 0 | 0 | 112.5 | A509 G511 R512 F527 V577 F591 | A509-I514 VanDerWaalsContact C-CD1 3.45Å; A509-I514 HydrophobicContact CB-CD1 3.63Å; A509-I514 WeakPolarHBondContact O-CD1 3.34Å; G511-I514 WeakPolarHBondContact O-CG1 3.42Å; R512-I514 PolarHBondContact O-N 2.99Å; I514-F527 HydrophobicContact CG1-CB 4.17Å; I514-F527 HydrophobicContact CG2-CB 4.11Å; I514-F527 HydrophobicContact CG2-CD1 3.95Å; I514-F527 HydrophobicContact CG2-CD2 3.83Å; I514-F527 HydrophobicContact CG2-CE1 4.25Å; I514-F527 HydrophobicContact CG2-CE2 4.15Å; I514-F527 HydrophobicContact CG2-CG 3.71Å; I514-F527 HydrophobicContact CG2-CZ 4.33Å; I514-V577 HydrophobicContact CG2-CG1 4.13Å; I514-F591 HydrophobicContact CB-CB 4.23Å; I514-F591 HydrophobicContact CB-CD1 3.98Å; I514-F591 HydrophobicContact CB-CD2 4.31Å; I514-F591 HydrophobicContact CB-CE1 4.43Å; I514-F591 HydrophobicContact CB-CG 3.93Å; I514-F591 HydrophobicContact CD1-CD1 4.39Å; I514-F591 HydrophobicContact CD1-CE1 4Å; I514-F591 HydrophobicContact CD1-CZ 4.18Å; I514-F591 HydrophobicContact CG2-CB 4.35Å; I514-F591 HydrophobicContact CG2-CD1 4.45Å; I514-F591 HydrophobicContact CG2-CD2 3.88Å; I514-F591 HydrophobicContact CG2-CE2 4.31Å; I514-F591 HydrophobicContact CG2-CG 3.98Å |
| 515 | Q | 93.1 | Very high | 90.5 | Very high | 28 Ų | 28 | 45.1 Ų | 45.1 | 13% | 0.131 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -69.4 | 143.4 | 177.6 | -63.1 | -56.7 | -25.9 | 0 | 0 | 110.7 | G511 R512 Q517 V593 P681 M683 | G511-Q515 WeakPolarHBondContact O-CG 3.36Å; G511-Q515 PolarHBondContact O-NE2 2.67Å; G511-Q515 VanDerWaalsContact O-NE2 3.1Å; R512-Q515 PolarHBondContact O-N 3.19Å; R512-Q515 VanDerWaalsContact O-N 3.13Å; Q515-Q517 PolarHBondContact O-N 3.15Å; Q515-Q517 VanDerWaalsContact O-N 3.13Å; Q515-V593 WeakPolarHBondContact O-CG1 3.46Å; Q515-P681 HydrophobicContact CB-CG 4.16Å; Q515-P681 HydrophobicContact CG-CG 3.91Å; Q515-M683 HydrophobicContact CG-SD 4.14Å |
| 516 | P | 90.4 | Very high | 91 | Very high | 72 Ų | 72 | 41.4 Ų | 41.4 | 47% | 0.468 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -60.3 | -28.1 | -176.3 | -25.1 | 34.9 | 0 | 0 | 0 | 114.1 | E594 | P516-E594 PolarHBondContact O-N 2.83Š|
| 517 | Q | 91 | Very high | 91.4 | Very high | 122 Ų | 122 | 36.9 Ų | 36.9 | 57% | 0.57 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -145.1 | 162.2 | -175.5 | -56.2 | -173.6 | 29.7 | 0 | 0 | 112.3 | Q515 | Q515-Q517 PolarHBondContact O-N 3.15Å; Q515-Q517 VanDerWaalsContact O-N 3.13Å |
| 518 | G | 89.4 | Confident | 91.6 | Very high | 6 Ų | 6 | 39.9 Ų | 39.9 | 6% | 0.062 | 20% | 0.2 | C | C | . | . | trans | 103.2 | -20 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R512 R520 S680 | R512-G518 PolarHBondContact NH2-O 2.82Å; R512-G518 VanDerWaalsContact NH2-O 3.08Å; G518-R520 PolarHBondContact O-N 2.83Å; G518-S680 CarbonylContact C-O 3.5Å | ||
| 519 | I | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 134.8 | 166.3 | -62.7 | -60.3 | 0 | 0 | 0 | 109.5 | R512 D523 A525 P569 V593 V595 A596 | R512-I519 HydrophobicContact CB-CD1 4.44Å; R512-I519 HydrophobicContact CG-CD1 3.81Å; I519-D523 HydrophobicContact CG2-CB 4.42Å; I519-A525 HydrophobicContact CD1-CB 3.86Å; I519-A525 HydrophobicContact CG1-CB 4.41Å; I519-A525 HydrophobicContact CG2-CB 4.21Å; I519-P569 HydrophobicContact CG2-CG 3.67Å; I519-V593 HydrophobicContact CB-CG1 4.19Å; I519-V593 HydrophobicContact CG1-CG1 3.94Å; I519-V595 HydrophobicContact CB-CG2 4.42Å; I519-V595 HydrophobicContact CG2-CG1 4.29Å; I519-V595 HydrophobicContact CG2-CG2 3.95Å; I519-V595 CarbonylContact O-C 3.54Å; I519-V595 WeakPolarHBondContact O-CA 3.29Å; I519-A596 PolarHBondContact O-N 2.94Å |
| 520 | R | 92.1 | Very high | 91.7 | Very high | 6 Ų | 6 | 35.6 Ų | 35.6 | 2% | 0.023 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 159.8 | 173.5 | -69 | -176.5 | -178.1 | -80.9 | -4.9 | 112.8 | G518 K522 D523 A596 P597 E675 N676 | G518-R520 PolarHBondContact O-N 2.83Å; R520-K522 PolarHBondContact O-N 2.82Å; R520-D523 PolarHBondContact N-OD2 3Å; R520-D523 WeakPolarHBondContact O-CB 3.32Å; R520-D523 PolarHBondContact O-N 3Å; R520-A596 CarbonylContact C-O 3.47Å; R520-A596 VanDerWaalsContact CA-O 3.24Å; R520-A596 WeakPolarHBondContact CA-O 3.24Å; R520-A596 HydrophobicContact CG-CB 4.11Å; R520-P597 WeakPolarHBondContact CD-O 3.46Å; R520-P597 PolarHBondContact NH1-O 3.01Å; R520-E675 IonicContact CZ-OE1 3.28Å; R520-E675 VanDerWaalsContact CZ-OE1 3.24Å; R520-E675 IonicContact NH1-OE1 3.05Å; R520-E675 PolarHBondContact NH1-OE1 2.81Å; R520-E675 IonicContact NH2-OE1 2.88Å; R520-E675 PolarHBondContact NH2-OE1 2.9Å; R520-E675 IonicContact NH2-OE2 3.62Å; R520-E675 PolarHBondContact NH2-OE2 2.77Å; R520-N676 PolarHBondContact NE-O 3.11Å; R520-N676 PolarHBondContact NH2-O 3.49Å |
| 521 | V | 91.5 | Very high | 91.8 | Very high | 19 Ų | 19 | 34.3 Ų | 34.3 | 12% | 0.115 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 132.3 | 174.2 | -174.1 | 0 | 0 | 0 | 0 | 110.3 | D523 R571 P572 V595 A596 | V521-D523 VanDerWaalsContact C-N 3.33Å; V521-R571 VanDerWaalsContact CG2-C 3.43Å; V521-P572 HydrophobicContact CG2-CB 3.92Å; V521-P572 HydrophobicContact CG2-CG 4.4Å; V521-V595 HydrophobicContact CG2-CG1 3.95Å; V521-A596 PolarHBondContact N-O 2.99Å |
| 522 | K | 88.9 | Confident | 91.5 | Very high | 128 Ų | 128 | 39.6 Ų | 39.6 | 56% | 0.557 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | -5.3 | -169.7 | -46.1 | 173.4 | -170 | 160.6 | 0 | 116.8 | R520 P569 Y598 | R520-K522 PolarHBondContact O-N 2.82Å; K522-P569 PolarHBondContact N-O 3.22Å; K522-Y598 HydrophobicContact CD-CD2 3.93Å; K522-Y598 HydrophobicContact CD-CE2 4.21Å |
| 523 | D | 89.6 | Confident | 90.9 | Very high | 30 Ų | 30 | 44 Ų | 44 | 16% | 0.16 | 22% | 0.221 | C | C | . | . | trans | -61.5 | 148.8 | 173.7 | -78.2 | -0.6 | 0 | 0 | 0 | 110.9 | R512 I519 R520 V521 A525 T568 P569 | R512-D523 IonicContact CZ-OD2 3.62Å; R512-D523 VanDerWaalsContact CZ-OD2 3.29Å; R512-D523 IonicContact NH1-OD2 2.78Å; R512-D523 PolarHBondContact NH1-OD2 2.8Å; R512-D523 IonicContact NH2-OD2 3.39Å; R512-D523 PolarHBondContact NH2-OD2 3.09Å; I519-D523 HydrophobicContact CG2-CB 4.42Å; R520-D523 PolarHBondContact N-OD2 3Å; R520-D523 WeakPolarHBondContact O-CB 3.32Å; R520-D523 PolarHBondContact O-N 3Å; V521-D523 VanDerWaalsContact C-N 3.33Å; D523-A525 PolarHBondContact O-N 3.09Å; D523-T568 WeakPolarHBondContact O-CA 3.44Å; D523-T568 WeakPolarHBondContact O-CG2 3.49Å; D523-P569 WeakPolarHBondContact O-CD 3.38Å | ||
| 524 | L | 91.1 | Very high | 90.4 | Very high | 104 Ų | 104 | 44.1 Ų | 44.1 | 55% | 0.545 | 22% | 0.222 | S | C | . | . | trans | -73.4 | 120 | 156 | -170.3 | 64.1 | 0 | 0 | 0 | 107.3 | ||||
| 525 | A | 92.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 91.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | I519 D523 S566 Y567 | I519-A525 HydrophobicContact CD1-CB 3.86Å; I519-A525 HydrophobicContact CG1-CB 4.41Å; I519-A525 HydrophobicContact CG2-CB 4.21Å; D523-A525 PolarHBondContact O-N 3.09Å; A525-S566 WeakPolarHBondContact O-CA 3.34Å; A525-Y567 HydrophobicContact CB-CD1 3.87Å; A525-Y567 HydrophobicContact CB-CD2 4.01Å; A525-Y567 HydrophobicContact CB-CE1 3.58Å; A525-Y567 HydrophobicContact CB-CE2 3.72Å; A525-Y567 HydrophobicContact CB-CG 4.08Å; A525-Y567 VanDerWaalsContact CB-CZ 3.49Å; A525-Y567 PolarHBondContact N-O 2.65Å; A525-Y567 WeakPolarHBondContact O-CD1 3.4Å; A525-Y567 PolarHBondContact O-N 3.28Å |
| 526 | D | 93 | Very high | 89 | Confident | 73 Ų | 73 | 53 Ų | 53 | 39% | 0.39 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 140.5 | -172.5 | 62.4 | -54.9 | 0 | 0 | 0 | 112.5 | G511 R512 G513 C565 | G511-D526 CarbonylContact C-O 3.31Å; R512-D526 PolarHBondContact N-O 3.35Å; G513-D526 PolarHBondContact N-O 3Å; D526-C565 CarbonylContact C-O 3.46Å; D526-C565 WeakPolarHBondContact CA-O 3.31Å |
| 527 | F | 95 | Very high | 88.6 | Confident | 5 Ų | 5 | 50.3 Ų | 50.3 | 2% | 0.022 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 159.8 | 178.8 | 67.8 | -88.5 | 0 | 0 | 0 | 111 | A509 T510 I514 V529 V541 C565 Y567 V577 V579 | A509-F527 HydrophobicContact CB-CD2 4.39Å; T510-F527 CarbonylContact O-C 3.51Å; T510-F527 VanDerWaalsContact O-CA 3.31Å; T510-F527 WeakPolarHBondContact O-CA 3.3Å; T510-F527 VanDerWaalsContact O-CB 3.31Å; T510-F527 WeakPolarHBondContact O-CB 3.22Å; I514-F527 HydrophobicContact CG1-CB 4.17Å; I514-F527 HydrophobicContact CG2-CB 4.11Å; I514-F527 HydrophobicContact CG2-CD1 3.95Å; I514-F527 HydrophobicContact CG2-CD2 3.83Å; I514-F527 HydrophobicContact CG2-CE1 4.25Å; I514-F527 HydrophobicContact CG2-CE2 4.15Å; I514-F527 HydrophobicContact CG2-CG 3.71Å; I514-F527 HydrophobicContact CG2-CZ 4.33Å; F527-V529 HydrophobicContact CD2-CG2 4.16Å; F527-V529 HydrophobicContact CE2-CG2 3.89Å; F527-V541 HydrophobicContact CZ-CG1 3.85Å; F527-C565 HydrophobicContact CD1-CB 4.11Å; F527-C565 HydrophobicContact CD2-CB 3.9Å; F527-C565 HydrophobicContact CE1-CB 3.82Å; F527-C565 HydrophobicContact CE2-CB 3.59Å; F527-C565 HydrophobicContact CG-CB 4.16Å; F527-C565 HydrophobicContact CZ-CB 3.56Å; F527-C565 PolarHBondContact N-O 3.42Å; F527-C565 WeakPolarHBondContact O-CA 3.5Å; F527-C565 WeakPolarHBondContact O-CB 3.46Å; F527-C565 PolarHBondContact O-N 2.97Å; F527-Y567 HydrophobicContact CE1-CD1 4.3Å; F527-Y567 HydrophobicContact CE1-CE1 4.32Å; F527-V577 HydrophobicContact CE1-CG1 3.94Å; F527-V577 HydrophobicContact CZ-CG1 3.81Å; F527-V579 HydrophobicContact CE2-CG2 3.79Å; F527-V579 HydrophobicContact CZ-CG2 3.99Å |
| 528 | K | 92.1 | Very high | 88.5 | Confident | 63 Ų | 63 | 48.8 Ų | 48.8 | 27% | 0.274 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 147.2 | -179.5 | -67.9 | 161.8 | -167.7 | 163.1 | 0 | 109.8 | A509 T510 L562 F563 E665 | A509-K528 CarbonylContact C-O 3.6Å; A509-K528 WeakPolarHBondContact CA-O 3.16Å; A509-K528 VanDerWaalsContact CB-O 3.26Å; A509-K528 WeakPolarHBondContact CB-O 3.28Å; T510-K528 PolarHBondContact N-O 2.74Å; T510-K528 PolarHBondContact O-N 2.76Å; K528-L562 HydrophobicContact CB-CD1 4.04Å; K528-L562 HydrophobicContact CG-CD1 4.48Å; K528-F563 CarbonylContact C-O 3.58Å; K528-F563 VanDerWaalsContact CA-O 3.31Å; K528-F563 WeakPolarHBondContact CA-O 3.33Å; K528-E665 IonicContact NZ-OE1 2.72Å; K528-E665 PolarHBondContact NZ-OE1 2.74Å |
| 529 | V | 92.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 120.9 | 169.3 | -168.6 | 0 | 0 | 0 | 0 | 109.1 | A509 F527 T531 L539 L562 F563 V579 I586 | A509-V529 HydrophobicContact CB-CG2 4.24Å; F527-V529 HydrophobicContact CD2-CG2 4.16Å; F527-V529 HydrophobicContact CE2-CG2 3.89Å; V529-T531 HydrophobicContact CG1-CG2 4.19Å; V529-L539 HydrophobicContact CB-CD1 4.31Å; V529-L539 HydrophobicContact CB-CD2 4.23Å; V529-L539 HydrophobicContact CG1-CD1 3.98Å; V529-L539 HydrophobicContact CG2-CD1 4.21Å; V529-L539 HydrophobicContact CG2-CD2 4.16Å; V529-L562 WeakPolarHBondContact O-CA 3.21Å; V529-F563 HydrophobicContact CB-CB 4.43Å; V529-F563 PolarHBondContact N-O 2.98Å; V529-F563 PolarHBondContact O-N 2.9Å; V529-V579 HydrophobicContact CG1-CG1 4.29Å; V529-V579 HydrophobicContact CG2-CG1 3.84Å; V529-I586 HydrophobicContact CG1-CD1 4.21Å |
| 530 | H | 91.5 | Very high | 88.6 | Confident | 27 Ų | 27 | 55.2 Ų | 55.2 | 13% | 0.125 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 134.2 | -179.4 | -52.5 | -99.2 | 0 | 0 | 0 | 108.5 | A507 Y508 T510 L562 | A507-H530 VanDerWaalsContact CA-O 3.27Å; A507-H530 WeakPolarHBondContact CA-O 3.13Å; A507-H530 WeakPolarHBondContact CB-O 3.34Å; Y508-H530 HydrophobicContact CD1-CB 4.1Å; Y508-H530 HydrophobicContact CD2-CB 4.12Å; Y508-H530 AromaticContact CD2-CD2 3.64Å; Y508-H530 HydrophobicContact CE1-CB 3.67Å; Y508-H530 HydrophobicContact CE2-CB 3.68Å; Y508-H530 AromaticContact CE2-CD2 3.24Å; Y508-H530 WeakPolarHBondContact CE2-CD2 3.25Å; Y508-H530 AromaticContact CE2-CG 3.45Å; Y508-H530 VanDerWaalsContact CE2-CG 3.45Å; Y508-H530 AromaticContact CE2-NE2 3.85Å; Y508-H530 HydrophobicContact CG-CB 4.31Å; Y508-H530 VanDerWaalsContact CZ-CB 3.43Å; Y508-H530 AromaticContact CZ-CD2 3.9Å; Y508-H530 AromaticContact CZ-CG 3.58Å; Y508-H530 PolarHBondContact N-O 3.46Å; Y508-H530 PolarHBondContact O-N 2.9Å; T510-H530 PolarHBondContact OG1-NE2 3.49Å; H530-L562 VanDerWaalsContact ND1-CD1 3.32Å; H530-L562 WeakPolarHBondContact ND1-CD1 3.4Å |
| 531 | T | 90 | Very high | 88.7 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | trans | -137 | 23.6 | -168.4 | 56 | 0 | 0 | 0 | 0 | 112.8 | A507 V529 D533 A534 Y561 F563 Y581 | A507-T531 HydrophobicContact CB-CG2 4.12Å; V529-T531 HydrophobicContact CG1-CG2 4.19Å; T531-D533 PolarHBondContact O-N 3.46Å; T531-A534 PolarHBondContact O-N 3.23Å; T531-Y561 PolarHBondContact N-O 2.84Å; T531-Y561 WeakPolarHBondContact OG1-CA 3.25Å; T531-Y561 PolarHBondContact OG1-O 2.67Å; T531-F563 HydrophobicContact CG2-CD2 4.29Å; T531-F563 HydrophobicContact CG2-CE2 4.07Å; T531-Y581 HydrophobicContact CG2-CD1 4.44Å; T531-Y581 HydrophobicContact CG2-CD2 3.86Å; T531-Y581 HydrophobicContact CG2-CE1 4.23Å; T531-Y581 HydrophobicContact CG2-CE2 3.63Å; T531-Y581 HydrophobicContact CG2-CG 4.28Å | ||
| 532 | E | 84.4 | Confident | 88.8 | Confident | 114 Ų | 114 | 58.4 Ų | 58.4 | 53% | 0.533 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -60.6 | -48.9 | -165.1 | -49.7 | -157.2 | -142.3 | 0 | 0 | 113.4 | Y561 | E532-Y561 HydrophobicContact CB-CD2 4.35Å; E532-Y561 HydrophobicContact CB-CG 4.39Å; E532-Y561 HydrophobicContact CG-CD2 4.3Å; E532-Y561 HydrophobicContact CG-CG 4.33Å |
| 533 | D | 82.4 | Confident | 89.1 | Confident | 113 Ų | 113 | 52.3 Ų | 52.3 | 60% | 0.604 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -97.4 | 2.3 | 178.1 | -76.7 | -67.6 | 0 | 0 | 0 | 113.8 | Q506 T531 G535 | Q506-D533 HydrophobicContact CB-CB 4.05Å; Q506-D533 HydrophobicContact CG-CB 4.27Å; T531-D533 PolarHBondContact O-N 3.46Å; D533-G535 PolarHBondContact O-N 2.82Å |
| 534 | A | 80.8 | Confident | 89.2 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 2% | 0.017 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -80.8 | -10.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | C502 D503 Q506 A507 T531 Y581 | C502-A534 CarbonylContact C-O 3.42Å; C502-A534 WeakPolarHBondContact CA-O 3.49Å; D503-A534 PolarHBondContact N-O 3.02Å; D503-A534 WeakPolarHBondContact O-CA 3.21Å; D503-A534 WeakPolarHBondContact O-CB 3.44Å; Q506-A534 HydrophobicContact CB-CB 4.09Å; A507-A534 HydrophobicContact CB-CB 3.93Å; T531-A534 PolarHBondContact O-N 3.23Å; A534-Y581 HydrophobicContact CB-CD1 3.84Å; A534-Y581 HydrophobicContact CB-CE1 3.74Å |
| 535 | G | 78 | Confident | 89.1 | Confident | 40 Ų | 40 | 49.1 Ų | 49.1 | 41% | 0.412 | 27% | 0.27 | S | S | . | . | B | Isolated β-bridge | trans | 79.4 | -160.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D533 Y581 | D533-G535 PolarHBondContact O-N 2.82Å; G535-Y581 PolarHBondContact O-OH 3.49Å |
| 536 | E | 78.8 | Confident | 88.8 | Confident | 187 Ų | 187 | 52.5 Ų | 52.5 | 87% | 0.874 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -99.9 | 106.6 | 179.3 | -74.9 | -166.4 | 128.4 | 0 | 0 | 111.4 | A501 | A501-E536 PolarHBondContact O-N 3.33Š|
| 537 | G | 81.9 | Confident | 88.5 | Confident | 16 Ų | 16 | 52.3 Ų | 52.3 | 17% | 0.165 | 29% | 0.291 | C | S | . | . | trans | -131.1 | 156.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y581 | G537-Y581 PolarHBondContact N-OH 3.18Å; G537-Y581 WeakPolarHBondContact O-CE2 3.49Å; G537-Y581 PolarHBondContact O-OH 3.28Å | ||
| 538 | P | 89.1 | Confident | 88 | Confident | 91 Ų | 91 | 54.8 Ų | 54.8 | 59% | 0.591 | 32% | 0.318 | S | S | * | . | trans | -66.6 | 143.5 | 161.8 | 29.4 | -35.2 | 0 | 0 | 0 | 110.5 | Y581 G582 | P538-Y581 WeakPolarHBondContact O-CA 3.35Å; P538-G582 PolarHBondContact O-N 3.28Å | ||
| 539 | L | 92.2 | Very high | 87.7 | Confident | 24 Ų | 24 | 60 Ų | 60 | 13% | 0.126 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 120.4 | 168.3 | 178 | 67.8 | 0 | 0 | 0 | 109 | V529 V541 F563 V579 R580 Y581 | V529-L539 HydrophobicContact CB-CD1 4.31Å; V529-L539 HydrophobicContact CB-CD2 4.23Å; V529-L539 HydrophobicContact CG1-CD1 3.98Å; V529-L539 HydrophobicContact CG2-CD1 4.21Å; V529-L539 HydrophobicContact CG2-CD2 4.16Å; L539-V541 HydrophobicContact CD1-CG2 4.27Å; L539-V541 HydrophobicContact CD2-CG2 4.29Å; L539-V541 HydrophobicContact CG-CG2 4.07Å; L539-F563 HydrophobicContact CB-CD1 4.32Å; L539-F563 HydrophobicContact CB-CE1 4.05Å; L539-F563 HydrophobicContact CB-CZ 4.16Å; L539-F563 HydrophobicContact CD2-CB 3.54Å; L539-F563 HydrophobicContact CD2-CD1 3.61Å; L539-F563 HydrophobicContact CD2-CD2 4Å; L539-F563 HydrophobicContact CD2-CE1 4.21Å; L539-F563 HydrophobicContact CD2-CG 3.49Å; L539-F563 VanDerWaalsContact CD2-CG 3.49Å; L539-V579 HydrophobicContact CD1-CG1 3.89Å; L539-R580 WeakPolarHBondContact CA-O 3.45Å; L539-Y581 HydrophobicContact CB-CD2 4.19Å; L539-Y581 HydrophobicContact CB-CE2 4.42Å; L539-Y581 HydrophobicContact CD1-CD2 4.3Å |
| 540 | E | 93.1 | Very high | 87.3 | Confident | 116 Ų | 116 | 63 Ų | 63 | 54% | 0.542 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 135.3 | 167.5 | -67.4 | -171.4 | 152.6 | 0 | 0 | 109.8 | R580 | E540-R580 HydrophobicContact CB-CB 4.32Å; E540-R580 PolarHBondContact N-O 3.32Å; E540-R580 PolarHBondContact O-N 2.89Å |
| 541 | V | 94.6 | Very high | 87.3 | Confident | 30 Ų | 30 | 63 Ų | 63 | 18% | 0.182 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 129.4 | 175 | -179 | 0 | 0 | 0 | 0 | 109 | F527 L539 C553 N578 V579 | F527-V541 HydrophobicContact CZ-CG1 3.85Å; L539-V541 HydrophobicContact CD1-CG2 4.27Å; L539-V541 HydrophobicContact CD2-CG2 4.29Å; L539-V541 HydrophobicContact CG-CG2 4.07Å; V541-C553 HydrophobicContact CG1-CB 4.02Å; V541-C553 VanDerWaalsContact CG1-SG 3.59Å; V541-N578 CarbonylContact C-O 3.59Å; V541-N578 WeakPolarHBondContact CA-O 3.47Å; V541-V579 HydrophobicContact CG2-CG1 4.38Å |
| 542 | S | 93 | Very high | 87.3 | Confident | 62 Ų | 62 | 68.5 Ų | 68.5 | 43% | 0.434 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 119 | 172.6 | 68.3 | 0 | 0 | 0 | 0 | 111.6 | N578 | S542-N578 PolarHBondContact N-O 2.93Å; S542-N578 WeakPolarHBondContact O-CB 3.41Å; S542-N578 PolarHBondContact O-N 3.36Å; S542-N578 PolarHBondContact O-ND2 2.88Å |
| 543 | V | 95 | Very high | 87.7 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.006 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 129.1 | 176.2 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | G550 I551 C553 Y567 Q576 V577 | V543-G550 CarbonylContact O-C 3.48Å; V543-G550 VanDerWaalsContact O-CA 3.31Å; V543-G550 WeakPolarHBondContact O-CA 3.31Å; V543-I551 HydrophobicContact CB-CB 4.15Å; V543-I551 HydrophobicContact CG1-CB 4.04Å; V543-I551 HydrophobicContact CG1-CG1 4.47Å; V543-I551 PolarHBondContact O-N 3.01Å; V543-C553 HydrophobicContact CG2-CB 4.02Å; V543-Y567 HydrophobicContact CG1-CD2 3.9Å; V543-Y567 HydrophobicContact CG1-CE2 3.88Å; V543-Y567 HydrophobicContact CG1-CG 4.28Å; V543-Y567 HydrophobicContact CG2-CD1 3.71Å; V543-Y567 HydrophobicContact CG2-CD2 4.31Å; V543-Y567 HydrophobicContact CG2-CE1 4.06Å; V543-Y567 HydrophobicContact CG2-CG 3.84Å; V543-Q576 WeakPolarHBondContact CA-O 3.27Å; V543-V577 HydrophobicContact CG1-CG2 4.35Å; V543-V577 HydrophobicContact CG2-CG1 4.19Å; V543-V577 HydrophobicContact CG2-CG2 4.2Å |
| 544 | I | 92.6 | Very high | 88.2 | Confident | 57 Ų | 57 | 64 Ų | 64 | 29% | 0.292 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 131.4 | 179.1 | -52.7 | 177.2 | 0 | 0 | 0 | 108.7 | H575 Q576 | I544-H575 CarbonylContact O-C 3.27Å; I544-H575 VanDerWaalsContact O-CA 3.25Å; I544-H575 WeakPolarHBondContact O-CA 3.49Å; I544-Q576 HydrophobicContact CB-CB 4.38Å; I544-Q576 PolarHBondContact N-O 3.48Å; I544-Q576 PolarHBondContact O-N 2.6Å |
| 545 | A | 89 | Confident | 88.6 | Confident | 9 Ų | 9 | 66.9 Ų | 66.9 | 7% | 0.074 | 41% | 0.409 | C | S | . | . | trans | -85.7 | 164.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | D547 G548 R549 I551 | A545-D547 PolarHBondContact O-N 2.84Å; A545-G548 PolarHBondContact O-N 3.09Å; A545-R549 WeakPolarHBondContact CB-O 3.3Å; A545-R549 PolarHBondContact N-O 2.94Å; A545-I551 HydrophobicContact CB-CD1 4.09Å; A545-I551 HydrophobicContact CB-CG1 4.1Å | ||
| 546 | P | 85.4 | Confident | 89.3 | Confident | 72 Ų | 72 | 73.6 Ų | 73.6 | 47% | 0.468 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -23.5 | 179 | -26.8 | 31 | 0 | 0 | 0 | 115.8 | G548 G573 T574 H575 | P546-G548 VanDerWaalsContact C-N 3.3Å; P546-G573 VanDerWaalsContact CG-C 3.48Å; P546-T574 WeakPolarHBondContact CD-O 3.39Å; P546-T574 VanDerWaalsContact CG-O 3.32Å; P546-T574 WeakPolarHBondContact CG-O 3.33Å; P546-H575 VanDerWaalsContact CD-CE1 3.47Å; P546-H575 WeakPolarHBondContact CD-CE1 3.4Å |
| 547 | D | 87.7 | Confident | 89.8 | Confident | 68 Ų | 68 | 69.7 Ų | 69.7 | 36% | 0.364 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 14.1 | 176.6 | 70.1 | -3.5 | 0 | 0 | 0 | 113.6 | A545 R549 R571 | A545-D547 PolarHBondContact O-N 2.84Å; D547-R549 PolarHBondContact O-N 3.17Å; D547-R549 VanDerWaalsContact OD1-CB 3.27Å; D547-R549 WeakPolarHBondContact OD1-CB 3.39Å; D547-R549 VanDerWaalsContact OD1-CG 3.31Å; D547-R549 WeakPolarHBondContact OD1-CG 3.5Å; D547-R549 PolarHBondContact OD1-N 3.23Å; D547-R549 WeakPolarHBondContact OD2-CD 3.12Å; D547-R549 IonicContact OD2-NE 3.76Å; D547-R571 IonicContact OD2-CZ 3.57Å; D547-R571 IonicContact OD2-NH1 3.69Å; D547-R571 PolarHBondContact OD2-NH1 3.32Å |
| 548 | G | 84.7 | Confident | 89.9 | Confident | 58 Ų | 58 | 71.6 Ų | 71.6 | 60% | 0.598 | 41% | 0.411 | S | S | * | . | S | Bend | trans | 75.1 | 3.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A545 P546 | A545-G548 PolarHBondContact O-N 3.09Å; P546-G548 VanDerWaalsContact C-N 3.3Å |
| 549 | R | 84.1 | Confident | 89.4 | Confident | 172 Ų | 172 | 68.7 Ų | 68.7 | 65% | 0.649 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -81.9 | 137.3 | 179.5 | -65.2 | 179.5 | 170.3 | -170.6 | -5 | 111.6 | A545 D547 | A545-R549 WeakPolarHBondContact CB-O 3.3Å; A545-R549 PolarHBondContact N-O 2.94Å; D547-R549 PolarHBondContact O-N 3.17Å; D547-R549 VanDerWaalsContact OD1-CB 3.27Å; D547-R549 WeakPolarHBondContact OD1-CB 3.39Å; D547-R549 VanDerWaalsContact OD1-CG 3.31Å; D547-R549 WeakPolarHBondContact OD1-CG 3.5Å; D547-R549 PolarHBondContact OD1-N 3.23Å; D547-R549 WeakPolarHBondContact OD2-CD 3.12Å; D547-R549 IonicContact OD2-NE 3.76Å |
| 550 | G | 86.1 | Confident | 88.7 | Confident | 64 Ų | 64 | 71 Ų | 71 | 66% | 0.66 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 130.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V543 | V543-G550 CarbonylContact O-C 3.48Å; V543-G550 VanDerWaalsContact O-CA 3.31Å; V543-G550 WeakPolarHBondContact O-CA 3.31Å |
| 551 | I | 91 | Very high | 88.4 | Confident | 25 Ų | 25 | 71.5 Ų | 71.5 | 13% | 0.128 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 135.5 | 168.1 | -59 | -164.7 | 0 | 0 | 0 | 108.5 | V543 A545 C553 Y567 P569 H575 | V543-I551 HydrophobicContact CB-CB 4.15Å; V543-I551 HydrophobicContact CG1-CB 4.04Å; V543-I551 HydrophobicContact CG1-CG1 4.47Å; V543-I551 PolarHBondContact O-N 3.01Å; A545-I551 HydrophobicContact CB-CD1 4.09Å; A545-I551 HydrophobicContact CB-CG1 4.1Å; I551-C553 PolarHBondContact O-N 3.01Å; I551-Y567 HydrophobicContact CG2-CD2 4.46Å; I551-P569 HydrophobicContact CD1-CB 4.36Å; I551-H575 VanDerWaalsContact CD1-NE2 3.34Å; I551-H575 WeakPolarHBondContact CD1-NE2 3.28Å |
| 552 | P | 89.5 | Confident | 88.1 | Confident | 118 Ų | 118 | 72.3 Ų | 72.3 | 77% | 0.766 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 124.3 | 172.9 | -22.5 | 33.5 | 0 | 0 | 0 | 111.2 | ||
| 553 | C | 93 | Very high | 88.1 | Confident | 32 Ų | 32 | 70.4 Ų | 70.4 | 22% | 0.216 | 41% | 0.405 | C | S | . | . | trans | -112.4 | 129.9 | 167.6 | -176.7 | 0 | 0 | 0 | 0 | 109 | V541 V543 I551 S566 | V541-C553 HydrophobicContact CG1-CB 4.02Å; V541-C553 VanDerWaalsContact CG1-SG 3.59Å; V543-C553 HydrophobicContact CG2-CB 4.02Å; I551-C553 PolarHBondContact O-N 3.01Å; C553-S566 CarbonylContact C-O 3.43Å; C553-S566 VanDerWaalsContact CA-O 3.28Å; C553-S566 WeakPolarHBondContact CA-O 3.3Å; C553-S566 PolarHBondContact SG-O 2.99Å | ||
| 554 | T | 92.1 | Very high | 87.9 | Confident | 99 Ų | 99 | 73.3 Ų | 73.3 | 61% | 0.607 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 119.8 | 170.1 | 28.7 | 0 | 0 | 0 | 0 | 109.5 | C565 S566 | T554-C565 CarbonylContact O-C 3.58Å; T554-C565 VanDerWaalsContact O-CA 3.3Å; T554-C565 WeakPolarHBondContact O-CA 3.3Å; T554-S566 PolarHBondContact N-O 2.67Å; T554-S566 PolarHBondContact O-N 3.13Å; T554-S566 PolarHBondContact OG1-O 2.83Å; T554-S566 PolarHBondContact OG1-OG 2.98Å |
| 555 | S | 90.6 | Very high | 88.1 | Confident | 63 Ų | 63 | 70.7 Ų | 70.7 | 44% | 0.441 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 141.7 | 168 | 62.5 | 0 | 0 | 0 | 0 | 110.7 | D564 C565 | S555-D564 CarbonylContact C-O 3.58Å; S555-D564 WeakPolarHBondContact CA-O 3.25Å; S555-C565 VanDerWaalsContact CB-SG 3.59Å |
| 556 | R | 91.9 | Very high | 88.4 | Confident | 182 Ų | 182 | 71.7 Ų | 71.7 | 69% | 0.687 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 121.5 | -179.2 | -175.9 | -175.4 | -178 | -136.1 | 0.2 | 109.7 | T558 F563 D564 | R556-T558 HydrophobicContact CB-CG2 4.43Å; R556-T558 HydrophobicContact CG-CG2 3.9Å; R556-T558 PolarHBondContact O-N 3.45Å; R556-F563 CarbonylContact O-C 3.57Å; R556-F563 WeakPolarHBondContact O-CA 3.41Å; R556-D564 PolarHBondContact N-O 2.78Å; R556-D564 PolarHBondContact O-N 3.24Å |
| 557 | K | 88.9 | Confident | 88.8 | Confident | 105 Ų | 105 | 68.5 Ų | 68.5 | 46% | 0.457 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 122.2 | 169.8 | -161.2 | 168.5 | -172.7 | 172.1 | 0 | 109.7 | G559 A560 F563 | K557-G559 VanDerWaalsContact CE-O 3.23Å; K557-G559 WeakPolarHBondContact CE-O 3.3Å; K557-G559 WeakPolarHBondContact CG-O 3.45Å; K557-A560 WeakPolarHBondContact CE-O 3.41Å; K557-A560 PolarHBondContact NZ-O 3.26Å; K557-F563 HydrophobicContact CB-CD1 3.63Å; K557-F563 HydrophobicContact CB-CE1 3.68Å; K557-F563 HydrophobicContact CB-CG 4.33Å; K557-F563 HydrophobicContact CB-CZ 4.39Å; K557-F563 HydrophobicContact CD-CD1 4.42Å; K557-F563 HydrophobicContact CD-CE1 3.8Å; K557-F563 HydrophobicContact CD-CE2 4.16Å; K557-F563 HydrophobicContact CD-CZ 3.66Å; K557-F563 HydrophobicContact CG-CD1 3.93Å; K557-F563 HydrophobicContact CG-CD2 4.45Å; K557-F563 HydrophobicContact CG-CE1 3.82Å; K557-F563 HydrophobicContact CG-CE2 4.33Å; K557-F563 HydrophobicContact CG-CG 4.26Å; K557-F563 HydrophobicContact CG-CZ 4.03Å |
| 558 | T | 84.7 | Confident | 89.1 | Confident | 56 Ų | 56 | 67.7 Ų | 67.7 | 34% | 0.344 | 39% | 0.389 | S | S | . | . | trans | -125.4 | -23.8 | -174.1 | 46.1 | 0 | 0 | 0 | 0 | 113.4 | R556 L562 D564 | R556-T558 HydrophobicContact CB-CG2 4.43Å; R556-T558 HydrophobicContact CG-CG2 3.9Å; R556-T558 PolarHBondContact O-N 3.45Å; T558-L562 PolarHBondContact N-O 2.68Å; T558-D564 WeakPolarHBondContact CB-OD2 3.37Å; T558-D564 HydrophobicContact CG2-CB 4.45Å; T558-D564 WeakPolarHBondContact CG2-OD2 3.5Å; T558-D564 PolarHBondContact OG1-OD2 3.4Å | ||
| 559 | G | 77.9 | Confident | 89.5 | Confident | 29 Ų | 29 | 64.9 Ų | 64.9 | 30% | 0.299 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -115.6 | 175.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K557 Y561 L562 | K557-G559 VanDerWaalsContact CE-O 3.23Å; K557-G559 WeakPolarHBondContact CE-O 3.3Å; K557-G559 WeakPolarHBondContact CG-O 3.45Å; G559-Y561 PolarHBondContact O-N 2.84Å; G559-L562 PolarHBondContact N-O 3.22Å |
| 560 | A | 78.1 | Confident | 89.8 | Confident | 72 Ų | 72 | 62.9 Ų | 62.9 | 60% | 0.595 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -57.3 | -32.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K557 | K557-A560 WeakPolarHBondContact CE-O 3.41Å; K557-A560 PolarHBondContact NZ-O 3.26Å |
| 561 | Y | 86.1 | Confident | 89.8 | Confident | 127 Ų | 127 | 66.2 Ų | 66.2 | 50% | 0.498 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -133.7 | 15.4 | -178.7 | -50.5 | -64 | 0 | 0 | 0 | 112.7 | T531 E532 G559 | T531-Y561 PolarHBondContact N-O 2.84Å; T531-Y561 WeakPolarHBondContact OG1-CA 3.25Å; T531-Y561 PolarHBondContact OG1-O 2.67Å; E532-Y561 HydrophobicContact CB-CD2 4.35Å; E532-Y561 HydrophobicContact CB-CG 4.39Å; E532-Y561 HydrophobicContact CG-CD2 4.3Å; E532-Y561 HydrophobicContact CG-CG 4.33Å; G559-Y561 PolarHBondContact O-N 2.84Å |
| 562 | L | 89.3 | Confident | 89.9 | Confident | 47 Ų | 47 | 68.1 Ų | 68.1 | 25% | 0.246 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 133.2 | -174.4 | -170.4 | 72.2 | 0 | 0 | 0 | 110.8 | K528 V529 H530 T558 G559 | K528-L562 HydrophobicContact CB-CD1 4.04Å; K528-L562 HydrophobicContact CG-CD1 4.48Å; V529-L562 WeakPolarHBondContact O-CA 3.21Å; H530-L562 VanDerWaalsContact ND1-CD1 3.32Å; H530-L562 WeakPolarHBondContact ND1-CD1 3.4Å; T558-L562 PolarHBondContact N-O 2.68Å; G559-L562 PolarHBondContact N-O 3.22Å |
| 563 | F | 92.5 | Very high | 89.9 | Confident | 23 Ų | 23 | 63.5 Ų | 63.5 | 10% | 0.101 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 120.2 | 173.7 | -61 | -107.7 | 0 | 0 | 0 | 110.4 | K528 V529 T531 L539 R556 K557 Y581 | K528-F563 CarbonylContact C-O 3.58Å; K528-F563 VanDerWaalsContact CA-O 3.31Å; K528-F563 WeakPolarHBondContact CA-O 3.33Å; V529-F563 HydrophobicContact CB-CB 4.43Å; V529-F563 PolarHBondContact N-O 2.98Å; V529-F563 PolarHBondContact O-N 2.9Å; T531-F563 HydrophobicContact CG2-CD2 4.29Å; T531-F563 HydrophobicContact CG2-CE2 4.07Å; L539-F563 HydrophobicContact CB-CD1 4.32Å; L539-F563 HydrophobicContact CB-CE1 4.05Å; L539-F563 HydrophobicContact CB-CZ 4.16Å; L539-F563 HydrophobicContact CD2-CB 3.54Å; L539-F563 HydrophobicContact CD2-CD1 3.61Å; L539-F563 HydrophobicContact CD2-CD2 4Å; L539-F563 HydrophobicContact CD2-CE1 4.21Å; L539-F563 HydrophobicContact CD2-CG 3.49Å; L539-F563 VanDerWaalsContact CD2-CG 3.49Å; R556-F563 CarbonylContact O-C 3.57Å; R556-F563 WeakPolarHBondContact O-CA 3.41Å; K557-F563 HydrophobicContact CB-CD1 3.63Å; K557-F563 HydrophobicContact CB-CE1 3.68Å; K557-F563 HydrophobicContact CB-CG 4.33Å; K557-F563 HydrophobicContact CB-CZ 4.39Å; K557-F563 HydrophobicContact CD-CD1 4.42Å; K557-F563 HydrophobicContact CD-CE1 3.8Å; K557-F563 HydrophobicContact CD-CE2 4.16Å; K557-F563 HydrophobicContact CD-CZ 3.66Å; K557-F563 HydrophobicContact CG-CD1 3.93Å; K557-F563 HydrophobicContact CG-CD2 4.45Å; K557-F563 HydrophobicContact CG-CE1 3.82Å; K557-F563 HydrophobicContact CG-CE2 4.33Å; K557-F563 HydrophobicContact CG-CG 4.26Å; K557-F563 HydrophobicContact CG-CZ 4.03Å; F563-Y581 HydrophobicContact CE2-CE2 4.25Å; F563-Y581 HydrophobicContact CZ-CE2 4.46Å |
| 564 | D | 91.7 | Very high | 90 | Very high | 62 Ų | 62 | 65.4 Ų | 65.4 | 33% | 0.332 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 132.8 | 166 | -64.6 | -61.3 | 0 | 0 | 0 | 109.4 | S555 R556 T558 | S555-D564 CarbonylContact C-O 3.58Å; S555-D564 WeakPolarHBondContact CA-O 3.25Å; R556-D564 PolarHBondContact N-O 2.78Å; R556-D564 PolarHBondContact O-N 3.24Å; T558-D564 WeakPolarHBondContact CB-OD2 3.37Å; T558-D564 HydrophobicContact CG2-CB 4.45Å; T558-D564 WeakPolarHBondContact CG2-OD2 3.5Å; T558-D564 PolarHBondContact OG1-OD2 3.4Å |
| 565 | C | 95 | Very high | 90 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.014 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 142 | -178.3 | -64 | 0 | 0 | 0 | 0 | 109.7 | D526 F527 T554 S555 | D526-C565 CarbonylContact C-O 3.46Å; D526-C565 WeakPolarHBondContact CA-O 3.31Å; F527-C565 HydrophobicContact CD1-CB 4.11Å; F527-C565 HydrophobicContact CD2-CB 3.9Å; F527-C565 HydrophobicContact CE1-CB 3.82Å; F527-C565 HydrophobicContact CE2-CB 3.59Å; F527-C565 HydrophobicContact CG-CB 4.16Å; F527-C565 HydrophobicContact CZ-CB 3.56Å; F527-C565 PolarHBondContact N-O 3.42Å; F527-C565 WeakPolarHBondContact O-CA 3.5Å; F527-C565 WeakPolarHBondContact O-CB 3.46Å; F527-C565 PolarHBondContact O-N 2.97Å; T554-C565 CarbonylContact O-C 3.58Å; T554-C565 VanDerWaalsContact O-CA 3.3Å; T554-C565 WeakPolarHBondContact O-CA 3.3Å; S555-C565 VanDerWaalsContact CB-SG 3.59Å |
| 566 | S | 95.5 | Very high | 90.2 | Very high | 30 Ų | 30 | 61.7 Ų | 61.7 | 21% | 0.21 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 150 | 179.2 | 60.5 | 0 | 0 | 0 | 0 | 113.9 | A525 C553 T554 | A525-S566 WeakPolarHBondContact O-CA 3.34Å; C553-S566 CarbonylContact C-O 3.43Å; C553-S566 VanDerWaalsContact CA-O 3.28Å; C553-S566 WeakPolarHBondContact CA-O 3.3Å; C553-S566 PolarHBondContact SG-O 2.99Å; T554-S566 PolarHBondContact N-O 2.67Å; T554-S566 PolarHBondContact O-N 3.13Å; T554-S566 PolarHBondContact OG1-O 2.83Å; T554-S566 PolarHBondContact OG1-OG 2.98Å |
| 567 | Y | 95.2 | Very high | 90.4 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 175.7 | 170.4 | 67.6 | -82.4 | 0 | 0 | 0 | 111.1 | G513 A525 F527 V543 I551 P569 V577 | G513-Y567 WeakPolarHBondContact O-CE1 3.39Å; G513-Y567 PolarHBondContact O-OH 2.97Å; A525-Y567 HydrophobicContact CB-CD1 3.87Å; A525-Y567 HydrophobicContact CB-CD2 4.01Å; A525-Y567 HydrophobicContact CB-CE1 3.58Å; A525-Y567 HydrophobicContact CB-CE2 3.72Å; A525-Y567 HydrophobicContact CB-CG 4.08Å; A525-Y567 VanDerWaalsContact CB-CZ 3.49Å; A525-Y567 PolarHBondContact N-O 2.65Å; A525-Y567 WeakPolarHBondContact O-CD1 3.4Å; A525-Y567 PolarHBondContact O-N 3.28Å; F527-Y567 HydrophobicContact CE1-CD1 4.3Å; F527-Y567 HydrophobicContact CE1-CE1 4.32Å; V543-Y567 HydrophobicContact CG1-CD2 3.9Å; V543-Y567 HydrophobicContact CG1-CE2 3.88Å; V543-Y567 HydrophobicContact CG1-CG 4.28Å; V543-Y567 HydrophobicContact CG2-CD1 3.71Å; V543-Y567 HydrophobicContact CG2-CD2 4.31Å; V543-Y567 HydrophobicContact CG2-CE1 4.06Å; V543-Y567 HydrophobicContact CG2-CG 3.84Å; I551-Y567 HydrophobicContact CG2-CD2 4.46Å; Y567-P569 HydrophobicContact CD2-CB 4.46Å; Y567-P569 HydrophobicContact CD2-CG 4.5Å; Y567-P569 HydrophobicContact CE2-CB 4.19Å; Y567-P569 HydrophobicContact CE2-CG 4.13Å; Y567-V577 HydrophobicContact CE1-CG2 3.96Å |
| 568 | T | 94.5 | Very high | 90.6 | Very high | 51 Ų | 51 | 48.8 Ų | 48.8 | 31% | 0.313 | 27% | 0.268 | S | S | . | . | trans | -138.1 | 100.8 | 177.8 | -54.3 | 0 | 0 | 0 | 0 | 109.2 | D523 Q570 | D523-T568 WeakPolarHBondContact O-CA 3.44Å; D523-T568 WeakPolarHBondContact O-CG2 3.49Å; T568-Q570 PolarHBondContact O-NE2 3.13Å | ||
| 569 | P | 91.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -70 | 134.7 | -176.1 | 28.4 | -32.6 | 0 | 0 | 0 | 111.4 | I519 K522 D523 I551 Y567 V595 | I519-P569 HydrophobicContact CG2-CG 3.67Å; K522-P569 PolarHBondContact N-O 3.22Å; D523-P569 WeakPolarHBondContact O-CD 3.38Å; I551-P569 HydrophobicContact CD1-CB 4.36Å; Y567-P569 HydrophobicContact CD2-CB 4.46Å; Y567-P569 HydrophobicContact CD2-CG 4.5Å; Y567-P569 HydrophobicContact CE2-CB 4.19Å; Y567-P569 HydrophobicContact CE2-CG 4.13Å; P569-V595 HydrophobicContact CB-CG1 3.97Å; P569-V595 HydrophobicContact CB-CG2 4.02Å; P569-V595 HydrophobicContact CG-CG1 3.82Å; P569-V595 HydrophobicContact CG-CG2 4.05Å | ||
| 570 | Q | 90.4 | Very high | 91.8 | Very high | 129 Ų | 129 | 49.1 Ų | 49.1 | 60% | 0.603 | 25% | 0.254 | S | S | * | . | trans | -101.9 | -3.1 | -172.8 | -58.2 | -59.6 | -51.8 | 0 | 0 | 113.3 | T568 | T568-Q570 PolarHBondContact O-NE2 3.13Š| ||
| 571 | R | 87.3 | Confident | 92.4 | Very high | 134 Ų | 134 | 46 Ų | 46 | 51% | 0.506 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -144.5 | 151.8 | -178 | -70.9 | -173.6 | 165.1 | -173.8 | -1.1 | 109.6 | V521 D547 H575 V595 | V521-R571 VanDerWaalsContact CG2-C 3.43Å; D547-R571 IonicContact OD2-CZ 3.57Å; D547-R571 IonicContact OD2-NH1 3.69Å; D547-R571 PolarHBondContact OD2-NH1 3.32Å; R571-H575 PolarHBondContact O-CE1 3.28Å; R571-H575 VanDerWaalsContact O-CE1 3.22Å; R571-V595 WeakPolarHBondContact O-CG1 3.27Å |
| 572 | P | 91.8 | Very high | 92.4 | Very high | 66 Ų | 66 | 41.9 Ų | 41.9 | 43% | 0.429 | 22% | 0.224 | S | C | . | . | trans | -80.7 | 168.3 | 171.3 | 35 | -33.8 | 0 | 0 | 0 | 111.2 | V521 V595 P597 | V521-P572 HydrophobicContact CG2-CB 3.92Å; V521-P572 HydrophobicContact CG2-CG 4.4Å; P572-V595 CarbonylContact C-O 3.54Å; P572-V595 WeakPolarHBondContact CA-O 3.44Å; P572-V595 VanDerWaalsContact CB-O 3.23Å; P572-V595 WeakPolarHBondContact CB-O 3.37Å; P572-P597 HydrophobicContact CB-CG 4.27Å | ||
| 573 | G | 91 | Very high | 92.1 | Very high | 20 Ų | 20 | 41.5 Ų | 41.5 | 21% | 0.206 | 23% | 0.231 | C | C | . | . | S | Bend | trans | 98.1 | 175 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | P546 H575 E594 V595 | P546-G573 VanDerWaalsContact CG-C 3.48Å; G573-H575 PolarHBondContact O-CE1 2.93Å; G573-H575 PolarHBondContact O-N 2.89Å; G573-H575 PolarHBondContact O-ND1 2.95Å; G573-E594 WeakPolarHBondContact CA-OE2 3.29Å; G573-V595 PolarHBondContact N-O 2.87Å |
| 574 | T | 93.6 | Very high | 91.9 | Very high | 73 Ų | 73 | 45.8 Ų | 45.8 | 45% | 0.448 | 26% | 0.255 | S | S | . | . | trans | -61.1 | 114.4 | -167.9 | -33 | 0 | 0 | 0 | 0 | 113.8 | P546 T592 E594 | P546-T574 WeakPolarHBondContact CD-O 3.39Å; P546-T574 VanDerWaalsContact CG-O 3.32Å; P546-T574 WeakPolarHBondContact CG-O 3.33Å; T574-T592 HydrophobicContact CG2-CG2 3.43Å; T574-T592 VanDerWaalsContact CG2-CG2 3.43Å; T574-E594 VanDerWaalsContact CA-OE1 3.24Å; T574-E594 WeakPolarHBondContact CA-OE1 3.46Å; T574-E594 WeakPolarHBondContact CB-OE1 3.34Å; T574-E594 VanDerWaalsContact N-CD 3.32Å; T574-E594 PolarHBondContact N-OE1 2.93Å; T574-E594 PolarHBondContact N-OE2 3.31Å; T574-E594 PolarHBondContact OG1-OE1 3.41Å | ||
| 575 | H | 93.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 150 | 170.3 | -71 | 61.8 | 0 | 0 | 0 | 110.6 | I544 P546 I551 R571 G573 V593 V595 | I544-H575 CarbonylContact O-C 3.27Å; I544-H575 VanDerWaalsContact O-CA 3.25Å; I544-H575 WeakPolarHBondContact O-CA 3.49Å; P546-H575 VanDerWaalsContact CD-CE1 3.47Å; P546-H575 WeakPolarHBondContact CD-CE1 3.4Å; I551-H575 VanDerWaalsContact CD1-NE2 3.34Å; I551-H575 WeakPolarHBondContact CD1-NE2 3.28Å; R571-H575 PolarHBondContact O-CE1 3.28Å; R571-H575 VanDerWaalsContact O-CE1 3.22Å; G573-H575 PolarHBondContact O-CE1 2.93Å; G573-H575 PolarHBondContact O-N 2.89Å; G573-H575 PolarHBondContact O-ND1 2.95Å; H575-V593 PolarHBondContact N-O 2.91Å; H575-V593 PolarHBondContact O-N 3.41Å; H575-V595 HydrophobicContact CB-CG2 4.34Å; H575-V595 VanDerWaalsContact ND1-CG2 3.28Å; H575-V595 WeakPolarHBondContact ND1-CG2 3.47Å |
| 576 | Q | 94.6 | Very high | 91.7 | Very high | 83 Ų | 83 | 45.4 Ų | 45.4 | 39% | 0.388 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 112.8 | 176.9 | -162.2 | 178.9 | 51.7 | 0 | 0 | 110.4 | V543 I544 N578 P590 F591 | V543-Q576 WeakPolarHBondContact CA-O 3.27Å; I544-Q576 HydrophobicContact CB-CB 4.38Å; I544-Q576 PolarHBondContact N-O 3.48Å; I544-Q576 PolarHBondContact O-N 2.6Å; Q576-N578 PolarHBondContact O-ND2 3.29Å; Q576-P590 HydrophobicContact CG-CB 3.71Å; Q576-F591 CarbonylContact C-O 3.59Å; Q576-F591 WeakPolarHBondContact CA-O 3.13Å |
| 577 | V | 95.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 100.5 | -179 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | I514 F527 V543 Y567 V579 F591 V593 | I514-V577 HydrophobicContact CG2-CG1 4.13Å; F527-V577 HydrophobicContact CE1-CG1 3.94Å; F527-V577 HydrophobicContact CZ-CG1 3.81Å; V543-V577 HydrophobicContact CG1-CG2 4.35Å; V543-V577 HydrophobicContact CG2-CG1 4.19Å; V543-V577 HydrophobicContact CG2-CG2 4.2Å; Y567-V577 HydrophobicContact CE1-CG2 3.96Å; V577-V579 HydrophobicContact CG1-CG2 4.01Å; V577-F591 HydrophobicContact CB-CB 4.27Å; V577-F591 PolarHBondContact N-O 3.41Å; V577-F591 PolarHBondContact O-N 3.43Å; V577-V593 HydrophobicContact CG2-CG2 3.9Å |
| 578 | N | 93.9 | Very high | 90.5 | Very high | 15 Ų | 15 | 56.6 Ų | 56.6 | 8% | 0.08 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 125.6 | 176.1 | -61.3 | -95.4 | 0 | 0 | 0 | 108.4 | V541 S542 Q576 H585 | V541-N578 CarbonylContact C-O 3.59Å; V541-N578 WeakPolarHBondContact CA-O 3.47Å; S542-N578 PolarHBondContact N-O 2.93Å; S542-N578 WeakPolarHBondContact O-CB 3.41Å; S542-N578 PolarHBondContact O-N 3.36Å; S542-N578 PolarHBondContact O-ND2 2.88Å; Q576-N578 PolarHBondContact O-ND2 3.29Å; N578-H585 PolarHBondContact OD1-CE1 2.98Å |
| 579 | V | 94.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 120.3 | 178.4 | -174.8 | 0 | 0 | 0 | 0 | 107.3 | F527 V529 L539 V541 V577 I586 S589 F591 | F527-V579 HydrophobicContact CE2-CG2 3.79Å; F527-V579 HydrophobicContact CZ-CG2 3.99Å; V529-V579 HydrophobicContact CG1-CG1 4.29Å; V529-V579 HydrophobicContact CG2-CG1 3.84Å; L539-V579 HydrophobicContact CD1-CG1 3.89Å; V541-V579 HydrophobicContact CG2-CG1 4.38Å; V577-V579 HydrophobicContact CG1-CG2 4.01Å; V579-I586 HydrophobicContact CB-CD1 3.92Å; V579-I586 HydrophobicContact CB-CG1 3.98Å; V579-I586 HydrophobicContact CG1-CD1 3.51Å; V579-I586 HydrophobicContact CG1-CG1 3.93Å; V579-I586 HydrophobicContact CG1-CG2 4.47Å; V579-I586 PolarHBondContact O-N 3.09Å; V579-S589 PolarHBondContact N-OG 2.74Å; V579-S589 WeakPolarHBondContact O-CB 3.39Å; V579-S589 PolarHBondContact O-OG 3Å; V579-S589 VanDerWaalsContact O-OG 3.13Å; V579-F591 HydrophobicContact CB-CE2 4.17Å; V579-F591 HydrophobicContact CG2-CD2 4.06Å; V579-F591 HydrophobicContact CG2-CE2 3.9Å |
| 580 | R | 92.7 | Very high | 90.3 | Very high | 93 Ų | 93 | 57.4 Ų | 57.4 | 35% | 0.351 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 137.5 | -175.5 | -66.5 | -179.6 | 176.5 | 172.3 | -0.4 | 111 | L539 E540 D584 H585 | L539-R580 WeakPolarHBondContact CA-O 3.45Å; E540-R580 HydrophobicContact CB-CB 4.32Å; E540-R580 PolarHBondContact N-O 3.32Å; E540-R580 PolarHBondContact O-N 2.89Å; R580-D584 CarbonylContact C-O 3.35Å; R580-D584 WeakPolarHBondContact CA-O 3.46Å; R580-D584 VanDerWaalsContact CB-O 3.28Å; R580-D584 WeakPolarHBondContact CB-O 3.47Å; R580-H585 PolarHBondContact NE-CD2 2.79Å; R580-H585 PolarHBondContact NE-CE1 3.05Å; R580-H585 PolarHBondContact NE-NE2 3.48Å; R580-H585 PolarHBondContact NH2-NE2 2.94Å |
| 581 | Y | 90.6 | Very high | 90.5 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 2% | 0.02 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 127.8 | 175.9 | -160 | -111.3 | 0 | 0 | 0 | 109.1 | P504 A507 T531 A534 G535 G537 P538 L539 F563 G583 D584 | P504-Y581 WeakPolarHBondContact CB-O 2.99Å; P504-Y581 WeakPolarHBondContact CG-O 3.27Å; A507-Y581 HydrophobicContact CB-CD1 4.4Å; A507-Y581 HydrophobicContact CB-CG 4.38Å; T531-Y581 HydrophobicContact CG2-CD1 4.44Å; T531-Y581 HydrophobicContact CG2-CD2 3.86Å; T531-Y581 HydrophobicContact CG2-CE1 4.23Å; T531-Y581 HydrophobicContact CG2-CE2 3.63Å; T531-Y581 HydrophobicContact CG2-CG 4.28Å; A534-Y581 HydrophobicContact CB-CD1 3.84Å; A534-Y581 HydrophobicContact CB-CE1 3.74Å; G535-Y581 PolarHBondContact O-OH 3.49Å; G537-Y581 PolarHBondContact N-OH 3.18Å; G537-Y581 WeakPolarHBondContact O-CE2 3.49Å; G537-Y581 PolarHBondContact O-OH 3.28Å; P538-Y581 WeakPolarHBondContact O-CA 3.35Å; L539-Y581 HydrophobicContact CB-CD2 4.19Å; L539-Y581 HydrophobicContact CB-CE2 4.42Å; L539-Y581 HydrophobicContact CD1-CD2 4.3Å; F563-Y581 HydrophobicContact CE2-CE2 4.25Å; F563-Y581 HydrophobicContact CZ-CE2 4.46Å; Y581-G583 PolarHBondContact O-N 2.78Å; Y581-G583 VanDerWaalsContact O-N 3.15Å; Y581-D584 PolarHBondContact N-O 3.29Å; Y581-D584 PolarHBondContact O-N 3.32Å |
| 582 | G | 86 | Confident | 90.8 | Very high | 42 Ų | 42 | 49.6 Ų | 49.6 | 43% | 0.433 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | P538 | P538-G582 PolarHBondContact O-N 3.28Š|
| 583 | G | 83.7 | Confident | 91 | Very high | 39 Ų | 39 | 46.4 Ų | 46.4 | 40% | 0.402 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 104 | -14.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y581 | Y581-G583 PolarHBondContact O-N 2.78Å; Y581-G583 VanDerWaalsContact O-N 3.15Å |
| 584 | D | 86.4 | Confident | 91.1 | Very high | 113 Ų | 113 | 49 Ų | 49 | 60% | 0.604 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 158.2 | 178.2 | -99.8 | -42.5 | 0 | 0 | 0 | 111.5 | P504 R580 Y581 | P504-D584 HydrophobicContact CB-CB 4.06Å; P504-D584 HydrophobicContact CG-CB 3.63Å; R580-D584 CarbonylContact C-O 3.35Å; R580-D584 WeakPolarHBondContact CA-O 3.46Å; R580-D584 VanDerWaalsContact CB-O 3.28Å; R580-D584 WeakPolarHBondContact CB-O 3.47Å; Y581-D584 PolarHBondContact N-O 3.29Å; Y581-D584 PolarHBondContact O-N 3.32Å |
| 585 | H | 90.6 | Very high | 91.1 | Very high | 51 Ų | 51 | 45.6 Ų | 45.6 | 24% | 0.236 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 138.5 | 179.2 | -79 | -87 | 0 | 0 | 0 | 112.5 | N578 R580 S589 | N578-H585 PolarHBondContact OD1-CE1 2.98Å; R580-H585 PolarHBondContact NE-CD2 2.79Å; R580-H585 PolarHBondContact NE-CE1 3.05Å; R580-H585 PolarHBondContact NE-NE2 3.48Å; R580-H585 PolarHBondContact NH2-NE2 2.94Å; H585-S589 WeakPolarHBondContact ND1-CB 3.02Å; H585-S589 PolarHBondContact ND1-OG 2.96Å; H585-S589 VanDerWaalsContact ND1-OG 3.1Å |
| 586 | I | 91.9 | Very high | 90.9 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 171.1 | 168.2 | 68.9 | 164.4 | 0 | 0 | 0 | 110.8 | A507 A509 V529 V579 L588 S589 F591 | A507-I586 HydrophobicContact CB-CB 4.31Å; A507-I586 HydrophobicContact CB-CG2 3.71Å; A509-I586 HydrophobicContact CB-CD1 3.69Å; V529-I586 HydrophobicContact CG1-CD1 4.21Å; V579-I586 HydrophobicContact CB-CD1 3.92Å; V579-I586 HydrophobicContact CB-CG1 3.98Å; V579-I586 HydrophobicContact CG1-CD1 3.51Å; V579-I586 HydrophobicContact CG1-CG1 3.93Å; V579-I586 HydrophobicContact CG1-CG2 4.47Å; V579-I586 PolarHBondContact O-N 3.09Å; I586-L588 PolarHBondContact O-N 2.84Å; I586-S589 WeakPolarHBondContact O-CB 3.26Å; I586-S589 PolarHBondContact O-N 2.85Å; I586-S589 VanDerWaalsContact O-N 3.15Å; I586-F591 HydrophobicContact CD1-CE2 4.14Å; I586-F591 HydrophobicContact CD1-CZ 4.2Å; I586-F591 HydrophobicContact CG1-CE2 4.34Å |
| 587 | M | 79.8 | Confident | 90.7 | Very high | 115 Ų | 115 | 46.6 Ų | 46.6 | 57% | 0.567 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 141.4 | 174.8 | -77.8 | -139.4 | -69.4 | 0 | 0 | 112.2 | A507 S589 F591 | A507-M587 PolarHBondContact O-N 2.86Å; M587-S589 PolarHBondContact O-N 2.99Å; M587-S589 VanDerWaalsContact O-N 3.11Å; M587-F591 WeakPolarHBondContact O-CZ 3.01Å |
| 588 | L | 85.9 | Confident | 90.3 | Very high | 153 Ų | 153 | 52.1 Ų | 52.1 | 80% | 0.801 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 2 | -175.7 | -57.4 | 174.8 | 0 | 0 | 0 | 116.4 | I586 P590 F591 | I586-L588 PolarHBondContact O-N 2.84Å; L588-P590 CarbonylContact O-C 3.54Å; L588-F591 HydrophobicContact CB-CD1 4.15Å; L588-F591 HydrophobicContact CB-CE1 3.53Å; L588-F591 HydrophobicContact CB-CZ 4.12Å |
| 589 | S | 90.8 | Very high | 89.8 | Confident | 16 Ų | 16 | 54.3 Ų | 54.3 | 11% | 0.112 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -88.3 | 140.2 | 174.2 | -162.4 | 0 | 0 | 0 | 0 | 112.1 | V579 H585 I586 M587 | V579-S589 PolarHBondContact N-OG 2.74Å; V579-S589 WeakPolarHBondContact O-CB 3.39Å; V579-S589 PolarHBondContact O-OG 3Å; V579-S589 VanDerWaalsContact O-OG 3.13Å; H585-S589 WeakPolarHBondContact ND1-CB 3.02Å; H585-S589 PolarHBondContact ND1-OG 2.96Å; H585-S589 VanDerWaalsContact ND1-OG 3.1Å; I586-S589 WeakPolarHBondContact O-CB 3.26Å; I586-S589 PolarHBondContact O-N 2.85Å; I586-S589 VanDerWaalsContact O-N 3.15Å; M587-S589 PolarHBondContact O-N 2.99Å; M587-S589 VanDerWaalsContact O-N 3.11Å |
| 590 | P | 91.9 | Very high | 89.2 | Confident | 52 Ų | 52 | 61.3 Ų | 61.3 | 34% | 0.338 | 33% | 0.331 | S | S | . | . | S | Bend | cis | -69.3 | 132.5 | 1.8 | -12.5 | 26.6 | 0 | 0 | 0 | 113.6 | Q576 L588 | Q576-P590 HydrophobicContact CG-CB 3.71Å; L588-P590 CarbonylContact O-C 3.54Å |
| 591 | F | 94.9 | Very high | 88.8 | Confident | 18 Ų | 18 | 57.5 Ų | 57.5 | 8% | 0.079 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 134.3 | 172.6 | -55.5 | -90.9 | 0 | 0 | 0 | 109.1 | A509 I514 Q576 V577 V579 I586 M587 L588 | A509-F591 HydrophobicContact CB-CE2 4.34Å; A509-F591 HydrophobicContact CB-CZ 4.06Å; I514-F591 HydrophobicContact CB-CB 4.23Å; I514-F591 HydrophobicContact CB-CD1 3.98Å; I514-F591 HydrophobicContact CB-CD2 4.31Å; I514-F591 HydrophobicContact CB-CE1 4.43Å; I514-F591 HydrophobicContact CB-CG 3.93Å; I514-F591 HydrophobicContact CD1-CD1 4.39Å; I514-F591 HydrophobicContact CD1-CE1 4Å; I514-F591 HydrophobicContact CD1-CZ 4.18Å; I514-F591 HydrophobicContact CG2-CB 4.35Å; I514-F591 HydrophobicContact CG2-CD1 4.45Å; I514-F591 HydrophobicContact CG2-CD2 3.88Å; I514-F591 HydrophobicContact CG2-CE2 4.31Å; I514-F591 HydrophobicContact CG2-CG 3.98Å; Q576-F591 CarbonylContact C-O 3.59Å; Q576-F591 WeakPolarHBondContact CA-O 3.13Å; V577-F591 HydrophobicContact CB-CB 4.27Å; V577-F591 PolarHBondContact N-O 3.41Å; V577-F591 PolarHBondContact O-N 3.43Å; V579-F591 HydrophobicContact CB-CE2 4.17Å; V579-F591 HydrophobicContact CG2-CD2 4.06Å; V579-F591 HydrophobicContact CG2-CE2 3.9Å; I586-F591 HydrophobicContact CD1-CE2 4.14Å; I586-F591 HydrophobicContact CD1-CZ 4.2Å; I586-F591 HydrophobicContact CG1-CE2 4.34Å; M587-F591 WeakPolarHBondContact O-CZ 3.01Å; L588-F591 HydrophobicContact CB-CD1 4.15Å; L588-F591 HydrophobicContact CB-CE1 3.53Å; L588-F591 HydrophobicContact CB-CZ 4.12Å |
| 592 | T | 93.8 | Very high | 88.6 | Confident | 81 Ų | 81 | 64.5 Ų | 64.5 | 50% | 0.497 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 118.3 | 175.7 | -57.7 | 0 | 0 | 0 | 0 | 108.3 | T574 | T574-T592 HydrophobicContact CG2-CG2 3.43Å; T574-T592 VanDerWaalsContact CG2-CG2 3.43Å |
| 593 | V | 94.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 112.9 | -174.2 | 176.9 | 0 | 0 | 0 | 0 | 108.6 | Q515 I519 H575 V577 V595 | Q515-V593 WeakPolarHBondContact O-CG1 3.46Å; I519-V593 HydrophobicContact CB-CG1 4.19Å; I519-V593 HydrophobicContact CG1-CG1 3.94Å; H575-V593 PolarHBondContact N-O 2.91Å; H575-V593 PolarHBondContact O-N 3.41Å; V577-V593 HydrophobicContact CG2-CG2 3.9Å; V593-V595 HydrophobicContact CG1-CG2 4.37Å |
| 594 | E | 94.1 | Very high | 88.9 | Confident | 75 Ų | 75 | 65.7 Ų | 65.7 | 35% | 0.35 | 33% | 0.325 | S | S | . | . | trans | -75.3 | 136.1 | 168.4 | -101.9 | -56.8 | 160.3 | 0 | 0 | 111.2 | P516 G573 T574 | P516-E594 PolarHBondContact O-N 2.83Å; G573-E594 WeakPolarHBondContact CA-OE2 3.29Å; T574-E594 VanDerWaalsContact CA-OE1 3.24Å; T574-E594 WeakPolarHBondContact CA-OE1 3.46Å; T574-E594 WeakPolarHBondContact CB-OE1 3.34Å; T574-E594 VanDerWaalsContact N-CD 3.32Å; T574-E594 PolarHBondContact N-OE1 2.93Å; T574-E594 PolarHBondContact N-OE2 3.31Å; T574-E594 PolarHBondContact OG1-OE1 3.41Å | ||
| 595 | V | 93.1 | Very high | 89 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 105.4 | -179.4 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | I519 V521 P569 R571 P572 G573 H575 V593 | I519-V595 HydrophobicContact CB-CG2 4.42Å; I519-V595 HydrophobicContact CG2-CG1 4.29Å; I519-V595 HydrophobicContact CG2-CG2 3.95Å; I519-V595 CarbonylContact O-C 3.54Å; I519-V595 WeakPolarHBondContact O-CA 3.29Å; V521-V595 HydrophobicContact CG2-CG1 3.95Å; P569-V595 HydrophobicContact CB-CG1 3.97Å; P569-V595 HydrophobicContact CB-CG2 4.02Å; P569-V595 HydrophobicContact CG-CG1 3.82Å; P569-V595 HydrophobicContact CG-CG2 4.05Å; R571-V595 WeakPolarHBondContact O-CG1 3.27Å; P572-V595 CarbonylContact C-O 3.54Å; P572-V595 WeakPolarHBondContact CA-O 3.44Å; P572-V595 VanDerWaalsContact CB-O 3.23Å; P572-V595 WeakPolarHBondContact CB-O 3.37Å; G573-V595 PolarHBondContact N-O 2.87Å; H575-V595 HydrophobicContact CB-CG2 4.34Å; H575-V595 VanDerWaalsContact ND1-CG2 3.28Å; H575-V595 WeakPolarHBondContact ND1-CG2 3.47Å; V593-V595 HydrophobicContact CG1-CG2 4.37Å |
| 596 | A | 90.4 | Very high | 89 | Confident | 26 Ų | 26 | 59.3 Ų | 59.3 | 22% | 0.215 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 158.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I519 R520 V521 | I519-A596 PolarHBondContact O-N 2.94Å; R520-A596 CarbonylContact C-O 3.47Å; R520-A596 VanDerWaalsContact CA-O 3.24Å; R520-A596 WeakPolarHBondContact CA-O 3.24Å; R520-A596 HydrophobicContact CG-CB 4.11Å; V521-A596 PolarHBondContact N-O 2.99Å |
| 597 | P | 89.8 | Confident | 88.8 | Confident | 79 Ų | 79 | 59.5 Ų | 59.5 | 51% | 0.513 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 153.4 | 173.9 | -25.6 | 35.5 | 0 | 0 | 0 | 112.9 | R520 P572 K599 | R520-P597 WeakPolarHBondContact CD-O 3.46Å; R520-P597 PolarHBondContact NH1-O 3.01Å; P572-P597 HydrophobicContact CB-CG 4.27Å; P597-K599 PolarHBondContact O-N 3.28Å |
| 598 | Y | 87.1 | Confident | 89.2 | Confident | 115 Ų | 115 | 55 Ų | 55 | 45% | 0.451 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 126.6 | 169.7 | 175.3 | -93 | 0 | 0 | 0 | 109.9 | K522 E600 | K522-Y598 HydrophobicContact CD-CD2 3.93Å; K522-Y598 HydrophobicContact CD-CE2 4.21Å; Y598-E600 HydrophobicContact CE1-CG 3.83Å; Y598-E600 VanDerWaalsContact CE1-OE1 3.26Å; Y598-E600 WeakPolarHBondContact CE1-OE1 3.27Å; Y598-E600 PolarHBondContact OH-OE1 2.9Å |
| 599 | K | 84 | Confident | 89.4 | Confident | 61 Ų | 61 | 47.7 Ų | 47.7 | 27% | 0.265 | 24% | 0.24 | S | C | . | . | trans | -131 | 131.5 | -176.5 | -178.1 | 176.9 | -175.8 | 176.5 | 0 | 108.9 | P597 E675 P678 | P597-K599 PolarHBondContact O-N 3.28Å; K599-E675 WeakPolarHBondContact CD-OE2 3.32Å; K599-E675 WeakPolarHBondContact CE-OE2 3.47Å; K599-E675 IonicContact NZ-OE2 3.44Å; K599-E675 PolarHBondContact NZ-OE2 2.84Å; K599-P678 WeakPolarHBondContact O-CG 3.47Å | ||
| 600 | E | 80.9 | Confident | 89.4 | Confident | 147 Ų | 147 | 47.7 Ų | 47.7 | 69% | 0.687 | 24% | 0.238 | S | C | * | . | trans | -97.2 | 145.5 | 163.2 | -76 | 168.4 | -158.3 | 0 | 0 | 108.4 | Y598 | Y598-E600 HydrophobicContact CE1-CG 3.83Å; Y598-E600 VanDerWaalsContact CE1-OE1 3.26Å; Y598-E600 WeakPolarHBondContact CE1-OE1 3.27Å; Y598-E600 PolarHBondContact OH-OE1 2.9Å | ||
| 601 | S | 85.1 | Confident | 89.2 | Confident | 13 Ų | 13 | 50.4 Ų | 50.4 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | trans | -150.3 | 148.4 | -176.1 | 163.8 | 0 | 0 | 0 | 0 | 108 | I603 R604 E628 | S601-I603 PolarHBondContact OG-N 2.61Å; S601-R604 PolarHBondContact O-NH1 2.92Å; S601-R604 PolarHBondContact O-NH2 3.47Å; S601-E628 WeakPolarHBondContact CA-OE2 3.46Å; S601-E628 VanDerWaalsContact CB-OE2 3.32Å; S601-E628 WeakPolarHBondContact CB-OE2 3.43Å; S601-E628 PolarHBondContact OG-OE2 2.98Å | ||
| 602 | R | 85.7 | Confident | 88.9 | Confident | 153 Ų | 153 | 50.4 Ų | 50.4 | 58% | 0.577 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -84.3 | -23.7 | 175 | -51.6 | -175.4 | -176.7 | 173.5 | 2.6 | 112.1 | R604 N626 E628 | R602-R604 PolarHBondContact O-N 2.92Å; R602-N626 HydrophobicContact CB-CB 3.82Å; R602-N626 WeakPolarHBondContact CD-O 3.46Å; R602-N626 WeakPolarHBondContact O-CB 3.41Å; R602-N626 PolarHBondContact O-ND2 3.11Å; R602-E628 HydrophobicContact CB-CB 4.03Å; R602-E628 HydrophobicContact CG-CB 4.4Å; R602-E628 PolarHBondContact N-OE1 3.28Å; R602-E628 PolarHBondContact N-OE2 3.09Å |
| 603 | I | 88.4 | Confident | 88.6 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | trans | -55.6 | 131 | 178 | -61.1 | 165.4 | 0 | 0 | 0 | 110 | S601 V623 E624 E628 L632 C672 I677 | S601-I603 PolarHBondContact OG-N 2.61Å; I603-V623 HydrophobicContact CG2-CG1 3.61Å; I603-E624 CarbonylContact C-O 3.43Å; I603-E624 VanDerWaalsContact CA-O 3.24Å; I603-E624 WeakPolarHBondContact CA-O 3.28Å; I603-E628 HydrophobicContact CG1-CB 4.23Å; I603-E628 HydrophobicContact CG1-CG 4.46Å; I603-E628 WeakPolarHBondContact CG1-OE2 3.48Å; I603-E628 PolarHBondContact N-OE2 3.24Å; I603-L632 HydrophobicContact CD1-CD2 4.24Å; I603-L632 HydrophobicContact CG2-CD2 4.46Å; I603-C672 HydrophobicContact CD1-CB 3.51Å; I603-C672 WeakPolarHBondContact CD1-SG 3.2Å; I603-I677 HydrophobicContact CB-CG2 4.48Å; I603-I677 HydrophobicContact CD1-CG2 4.32Å; I603-I677 HydrophobicContact CG2-CD1 3.97Å; I603-I677 HydrophobicContact CG2-CG2 4.25Å | ||
| 604 | R | 87 | Confident | 88.3 | Confident | 101 Ų | 101 | 48 Ų | 48 | 38% | 0.381 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 139.5 | 177 | -67.4 | -67.1 | 170 | -89.8 | -3.3 | 109.3 | S601 R602 F606 V623 E624 | S601-R604 PolarHBondContact O-NH1 2.92Å; S601-R604 PolarHBondContact O-NH2 3.47Å; R602-R604 PolarHBondContact O-N 2.92Å; R604-F606 HydrophobicContact CB-CD1 4.5Å; R604-V623 CarbonylContact O-C 3.49Å; R604-V623 VanDerWaalsContact O-CA 3.29Å; R604-V623 WeakPolarHBondContact O-CA 3.38Å; R604-E624 PolarHBondContact N-O 2.98Å; R604-E624 PolarHBondContact O-N 2.85Å |
| 605 | A | 90.1 | Very high | 88 | Confident | 22 Ų | 22 | 45.1 Ų | 45.1 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 133.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L610 V622 V623 I670 I677 F682 | A605-L610 HydrophobicContact CB-CD1 3.68Å; A605-V622 CarbonylContact C-O 3.54Å; A605-V622 VanDerWaalsContact CA-O 3.3Å; A605-V622 WeakPolarHBondContact CA-O 3.29Å; A605-V623 HydrophobicContact CB-CG2 3.99Å; A605-I670 HydrophobicContact CB-CD1 3.33Å; A605-I677 HydrophobicContact CB-CD1 4.19Å; A605-F682 HydrophobicContact CB-CE2 4.4Å; A605-F682 HydrophobicContact CB-CZ 4.27Å |
| 606 | F | 89.4 | Confident | 87.8 | Confident | 8 Ų | 8 | 50.2 Ų | 50.2 | 4% | 0.035 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 152.9 | -175.7 | 54.7 | -97.9 | 0 | 0 | 0 | 112.5 | R604 F621 V622 E624 R736 T768 L770 | R604-F606 HydrophobicContact CB-CD1 4.5Å; F606-F621 WeakPolarHBondContact O-CA 3.07Å; F606-F621 WeakPolarHBondContact O-CB 3.11Å; F606-V622 HydrophobicContact CD2-CB 4.14Å; F606-V622 HydrophobicContact CE2-CB 3.73Å; F606-V622 HydrophobicContact CE2-CG1 4.02Å; F606-V622 HydrophobicContact CE2-CG2 4.28Å; F606-V622 HydrophobicContact CZ-CB 4.05Å; F606-V622 HydrophobicContact CZ-CG1 3.86Å; F606-V622 PolarHBondContact N-O 3.01Å; F606-V622 PolarHBondContact O-N 3.4Å; F606-E624 HydrophobicContact CE1-CG 4.23Å; F606-E624 WeakPolarHBondContact CE1-OE2 3.44Å; F606-E624 HydrophobicContact CZ-CG 4.34Å; F606-R736 VanDerWaalsContact CD2-CD 3.46Å; F606-R736 VanDerWaalsContact CG-CD 3.49Å; F606-T768 HydrophobicContact CE2-CG2 4.02Å; F606-L770 HydrophobicContact CD2-CD1 3.95Å; F606-L770 HydrophobicContact CE2-CD1 4.01Å |
| 607 | G | 88.6 | Confident | 87.6 | Confident | 10 Ų | 10 | 51.6 Ų | 51.6 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | S | Bend | trans | 133.1 | 166.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | G609 L610 | G607-G609 VanDerWaalsContact C-N 3.26Å; G607-G609 PolarHBondContact O-N 3.47Å; G607-L610 PolarHBondContact O-N 2.92Å; G607-L610 VanDerWaalsContact O-N 3.09Å |
| 608 | P | 86.9 | Confident | 87.6 | Confident | 20 Ų | 20 | 49.6 Ų | 49.6 | 13% | 0.13 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -59.1 | -35.1 | -170.8 | 21.1 | -31.5 | 0 | 0 | 0 | 113 | L610 V611 G612 V620 N777 | P608-L610 PolarHBondContact O-N 3.41Å; P608-V611 WeakPolarHBondContact O-CA 3.2Å; P608-V611 PolarHBondContact O-N 3.05Å; P608-G612 CarbonylContact C-O 3.51Å; P608-G612 PolarHBondContact O-N 2.82Å; P608-V620 VanDerWaalsContact CD-O 3.32Å; P608-V620 WeakPolarHBondContact CD-O 3.47Å; P608-N777 WeakPolarHBondContact CG-OD1 3.32Å |
| 609 | G | 90 | Very high | 87.8 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -64.3 | -5.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116 | G607 V620 Y658 | G607-G609 VanDerWaalsContact C-N 3.26Å; G607-G609 PolarHBondContact O-N 3.47Å; G609-V620 PolarHBondContact N-O 3.02Å; G609-Y658 VanDerWaalsContact O-CE1 3.27Å; G609-Y658 WeakPolarHBondContact O-CE1 3.42Å; G609-Y658 PolarHBondContact O-OH 2.94Å |
| 610 | L | 91.4 | Very high | 88.2 | Confident | 15 Ų | 15 | 42.1 Ų | 42.1 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -104.4 | 8.5 | 169.8 | -58.6 | 175.6 | 0 | 0 | 0 | 112.8 | A605 G607 P608 F621 V668 I670 F682 | A605-L610 HydrophobicContact CB-CD1 3.68Å; G607-L610 PolarHBondContact O-N 2.92Å; G607-L610 VanDerWaalsContact O-N 3.09Å; P608-L610 PolarHBondContact O-N 3.41Å; L610-F621 HydrophobicContact CD1-CB 3.95Å; L610-F621 HydrophobicContact CD1-CD2 3.86Å; L610-F621 HydrophobicContact CD1-CG 3.96Å; L610-F621 HydrophobicContact CD2-CB 4.43Å; L610-F621 HydrophobicContact CD2-CD1 3.8Å; L610-F621 HydrophobicContact CD2-CD2 4.05Å; L610-F621 HydrophobicContact CD2-CE1 3.92Å; L610-F621 HydrophobicContact CD2-CE2 4.17Å; L610-F621 HydrophobicContact CD2-CG 3.86Å; L610-F621 HydrophobicContact CD2-CZ 4.1Å; L610-F621 HydrophobicContact CG-CB 3.71Å; L610-F621 HydrophobicContact CG-CD1 4.01Å; L610-F621 HydrophobicContact CG-CD2 4.03Å; L610-F621 HydrophobicContact CG-CG 3.68Å; L610-V668 HydrophobicContact CD2-CB 4.08Å; L610-V668 HydrophobicContact CD2-CG1 3.65Å; L610-I670 HydrophobicContact CD1-CD1 4.18Å; L610-I670 HydrophobicContact CD2-CD1 4.2Å; L610-F682 HydrophobicContact CB-CB 4.35Å; L610-F682 HydrophobicContact CB-CD1 4.23Å; L610-F682 HydrophobicContact CB-CG 4.32Å; L610-F682 HydrophobicContact CD1-CD1 4.47Å; L610-F682 HydrophobicContact CD1-CE1 4.5Å; L610-F682 HydrophobicContact CD2-CB 4.04Å; L610-F682 HydrophobicContact CD2-CD2 4.12Å; L610-F682 HydrophobicContact CD2-CG 4.04Å |
| 611 | V | 88.5 | Confident | 88.8 | Confident | 109 Ų | 109 | 35.1 Ų | 35.1 | 66% | 0.661 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -134.2 | -34.7 | -173 | -172.3 | 0 | 0 | 0 | 0 | 112.1 | P608 P685 | P608-V611 WeakPolarHBondContact O-CA 3.2Å; P608-V611 PolarHBondContact O-N 3.05Å; V611-P685 WeakPolarHBondContact O-CD 3.37Å |
| 612 | G | 87.9 | Confident | 89 | Confident | 19 Ų | 19 | 34.5 Ų | 34.5 | 20% | 0.196 | 18% | 0.184 | C | C | . | . | trans | -171.7 | 179.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P608 V684 P685 | P608-G612 CarbonylContact C-O 3.51Å; P608-G612 PolarHBondContact O-N 2.82Å; G612-V684 VanDerWaalsContact CA-CG1 3.48Å; G612-P685 VanDerWaalsContact CA-O 3.28Å; G612-P685 WeakPolarHBondContact CA-O 3.48Å | ||
| 613 | G | 87.6 | Confident | 89.3 | Confident | 9 Ų | 9 | 27.2 Ų | 27.2 | 9% | 0.093 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.5 | -178.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P685 I686 E687 | G613-P685 PolarHBondContact N-O 2.69Å; G613-I686 WeakPolarHBondContact O-CA 3.43Å; G613-E687 PolarHBondContact O-N 3.23Å |
| 614 | V | 88.3 | Confident | 89.2 | Confident | 21 Ų | 21 | 27.1 Ų | 27.1 | 13% | 0.127 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 139.2 | -178.8 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | N616 K617 E687 D689 V776 | V614-N616 PolarHBondContact O-N 2.85Å; V614-K617 HydrophobicContact CB-CB 4.15Å; V614-K617 HydrophobicContact CB-CG 4.13Å; V614-K617 HydrophobicContact CG1-CG 4.17Å; V614-K617 PolarHBondContact O-N 2.93Å; V614-E687 WeakPolarHBondContact CA-O 3.37Å; V614-D689 HydrophobicContact CG1-CB 3.82Å; V614-V776 HydrophobicContact CB-CG2 4.17Å; V614-V776 HydrophobicContact CG2-CG2 3.94Å |
| 615 | V | 88.6 | Confident | 89.2 | Confident | 15 Ų | 15 | 24 Ų | 24 | 9% | 0.091 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 132.6 | 178 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | K617 P660 A662 P663 I686 E687 | V615-K617 PolarHBondContact O-N 3.45Å; V615-P660 WeakPolarHBondContact CA-O 3.32Å; V615-A662 VanDerWaalsContact CG2-C 3.49Å; V615-P663 HydrophobicContact CG2-CB 3.91Å; V615-P663 HydrophobicContact CG2-CG 4.41Å; V615-I686 HydrophobicContact CG2-CG2 3.88Å; V615-E687 PolarHBondContact N-O 3.04Å |
| 616 | N | 87.2 | Confident | 88.9 | Confident | 108 Ų | 108 | 25.1 Ų | 25.1 | 58% | 0.578 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 15.7 | -177.4 | -56.1 | -34.7 | 0 | 0 | 0 | 115.5 | V614 P660 | V614-N616 PolarHBondContact O-N 2.85Å; N616-P660 PolarHBondContact N-O 3Å |
| 617 | K | 87.6 | Confident | 88.1 | Confident | 54 Ų | 54 | 27.5 Ų | 27.5 | 24% | 0.235 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -113.2 | 147.3 | 170.6 | -62.7 | -62.6 | -174.1 | 179.2 | 0 | 110.7 | V614 V615 A619 V776 | V614-K617 HydrophobicContact CB-CB 4.15Å; V614-K617 HydrophobicContact CB-CG 4.13Å; V614-K617 HydrophobicContact CG1-CG 4.17Å; V614-K617 PolarHBondContact O-N 2.93Å; V615-K617 PolarHBondContact O-N 3.45Å; K617-A619 PolarHBondContact O-N 3.23Å; K617-V776 HydrophobicContact CB-CG1 4.15Å; K617-V776 HydrophobicContact CB-CG2 3.86Å; K617-V776 HydrophobicContact CG-CG2 4.18Å |
| 618 | P | 89.9 | Confident | 87.6 | Confident | 38 Ų | 38 | 29.6 Ų | 29.6 | 25% | 0.247 | 19% | 0.185 | C | C | . | . | trans | -68.1 | 115.7 | 179.8 | 26.8 | -33.5 | 0 | 0 | 0 | 111.2 | V620 Y658 W659 | P618-V620 HydrophobicContact CB-CG2 4.05Å; P618-Y658 CarbonylContact C-O 3.48Å; P618-Y658 WeakPolarHBondContact CA-O 3.44Å; P618-W659 HydrophobicContact CB-CZ2 4.13Å | ||
| 619 | A | 90.9 | Very high | 86.7 | Confident | 5 Ų | 5 | 35.1 Ų | 35.1 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 108.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | K617 A657 Y658 | K617-A619 PolarHBondContact O-N 3.23Å; A619-A657 WeakPolarHBondContact O-CA 3.07Å; A619-Y658 HydrophobicContact CB-CD1 3.82Å; A619-Y658 HydrophobicContact CB-CD2 4.1Å; A619-Y658 HydrophobicContact CB-CE1 3.46Å; A619-Y658 VanDerWaalsContact CB-CE1 3.46Å; A619-Y658 HydrophobicContact CB-CE2 3.75Å; A619-Y658 HydrophobicContact CB-CG 4.13Å; A619-Y658 VanDerWaalsContact CB-CZ 3.42Å; A619-Y658 PolarHBondContact N-O 3.42Å; A619-Y658 WeakPolarHBondContact O-CD1 3.41Å; A619-Y658 PolarHBondContact O-N 3.23Å |
| 620 | V | 91.9 | Very high | 85.7 | Confident | 14 Ų | 14 | 36.8 Ų | 36.8 | 9% | 0.085 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 137.8 | -169.2 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | P608 G609 P618 T655 V656 A657 N777 | P608-V620 VanDerWaalsContact CD-O 3.32Å; P608-V620 WeakPolarHBondContact CD-O 3.47Å; G609-V620 PolarHBondContact N-O 3.02Å; P618-V620 HydrophobicContact CB-CG2 4.05Å; V620-T655 HydrophobicContact CG1-CG2 3.91Å; V620-V656 CarbonylContact C-O 3.56Å; V620-V656 WeakPolarHBondContact CA-O 3.28Å; V620-A657 HydrophobicContact CG2-CB 4.02Å; V620-N777 HydrophobicContact CB-CB 4.35Å; V620-N777 HydrophobicContact CG2-CB 4.34Å |
| 621 | F | 92.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 171.5 | 171.5 | 65.2 | -89.9 | 0 | 0 | 0 | 112.1 | F606 L610 V623 F634 V656 Y658 V668 I670 | F606-F621 WeakPolarHBondContact O-CA 3.07Å; F606-F621 WeakPolarHBondContact O-CB 3.11Å; L610-F621 HydrophobicContact CD1-CB 3.95Å; L610-F621 HydrophobicContact CD1-CD2 3.86Å; L610-F621 HydrophobicContact CD1-CG 3.96Å; L610-F621 HydrophobicContact CD2-CB 4.43Å; L610-F621 HydrophobicContact CD2-CD1 3.8Å; L610-F621 HydrophobicContact CD2-CD2 4.05Å; L610-F621 HydrophobicContact CD2-CE1 3.92Å; L610-F621 HydrophobicContact CD2-CE2 4.17Å; L610-F621 HydrophobicContact CD2-CG 3.86Å; L610-F621 HydrophobicContact CD2-CZ 4.1Å; L610-F621 HydrophobicContact CG-CB 3.71Å; L610-F621 HydrophobicContact CG-CD1 4.01Å; L610-F621 HydrophobicContact CG-CD2 4.03Å; L610-F621 HydrophobicContact CG-CG 3.68Å; F621-V623 HydrophobicContact CD2-CG2 3.88Å; F621-V623 HydrophobicContact CE2-CG2 3.67Å; F621-F634 HydrophobicContact CE2-CD1 4.49Å; F621-F634 HydrophobicContact CE2-CE1 4.3Å; F621-F634 HydrophobicContact CZ-CD1 4.31Å; F621-V656 HydrophobicContact CD1-CB 4.22Å; F621-V656 HydrophobicContact CD1-CG1 4.5Å; F621-V656 HydrophobicContact CD2-CB 4.06Å; F621-V656 HydrophobicContact CD2-CG2 4.37Å; F621-V656 HydrophobicContact CE1-CB 3.84Å; F621-V656 HydrophobicContact CE1-CG1 3.71Å; F621-V656 HydrophobicContact CE2-CB 3.66Å; F621-V656 HydrophobicContact CE2-CG1 4.11Å; F621-V656 HydrophobicContact CE2-CG2 3.82Å; F621-V656 HydrophobicContact CG-CB 4.33Å; F621-V656 HydrophobicContact CZ-CB 3.56Å; F621-V656 HydrophobicContact CZ-CG1 3.49Å; F621-V656 VanDerWaalsContact CZ-CG1 3.49Å; F621-V656 HydrophobicContact CZ-CG2 4.07Å; F621-V656 PolarHBondContact N-O 2.96Å; F621-V656 PolarHBondContact O-N 3.18Å; F621-Y658 HydrophobicContact CD1-CD1 4.43Å; F621-Y658 HydrophobicContact CD1-CE1 4.26Å; F621-Y658 HydrophobicContact CE1-CD1 4.08Å; F621-Y658 HydrophobicContact CE1-CE1 4.11Å; F621-V668 HydrophobicContact CE1-CG1 3.85Å; F621-V668 HydrophobicContact CZ-CG1 3.84Å; F621-I670 HydrophobicContact CD2-CD1 4.17Å; F621-I670 HydrophobicContact CE2-CD1 3.5Å; F621-I670 HydrophobicContact CE2-CG1 4.07Å; F621-I670 HydrophobicContact CZ-CD1 4.13Å; F621-I670 HydrophobicContact CZ-CG1 4.31Å |
| 622 | V | 90.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 143.5 | 178 | 178.9 | 0 | 0 | 0 | 0 | 108.7 | A605 F606 E624 A654 T768 P782 | A605-V622 CarbonylContact C-O 3.54Å; A605-V622 VanDerWaalsContact CA-O 3.3Å; A605-V622 WeakPolarHBondContact CA-O 3.29Å; F606-V622 HydrophobicContact CD2-CB 4.14Å; F606-V622 HydrophobicContact CE2-CB 3.73Å; F606-V622 HydrophobicContact CE2-CG1 4.02Å; F606-V622 HydrophobicContact CE2-CG2 4.28Å; F606-V622 HydrophobicContact CZ-CB 4.05Å; F606-V622 HydrophobicContact CZ-CG1 3.86Å; F606-V622 PolarHBondContact N-O 3.01Å; F606-V622 PolarHBondContact O-N 3.4Å; V622-E624 HydrophobicContact CG1-CG 4.45Å; V622-A654 CarbonylContact C-O 3.57Å; V622-A654 WeakPolarHBondContact CA-O 3.46Å; V622-T768 HydrophobicContact CG2-CG2 4.47Å; V622-P782 HydrophobicContact CG2-CB 4.09Å; V622-P782 HydrophobicContact CG2-CG 3.67Å |
| 623 | V | 91 | Very high | 84.9 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 119 | 170.6 | -176.3 | 0 | 0 | 0 | 0 | 109 | I603 R604 A605 F621 L632 F634 S653 A654 I670 | I603-V623 HydrophobicContact CG2-CG1 3.61Å; R604-V623 CarbonylContact O-C 3.49Å; R604-V623 VanDerWaalsContact O-CA 3.29Å; R604-V623 WeakPolarHBondContact O-CA 3.38Å; A605-V623 HydrophobicContact CB-CG2 3.99Å; F621-V623 HydrophobicContact CD2-CG2 3.88Å; F621-V623 HydrophobicContact CE2-CG2 3.67Å; V623-L632 HydrophobicContact CG1-CD1 4.11Å; V623-L632 HydrophobicContact CG1-CD2 4.23Å; V623-F634 HydrophobicContact CG2-CE1 3.99Å; V623-F634 HydrophobicContact CG2-CZ 4.38Å; V623-S653 CarbonylContact O-C 3.53Å; V623-S653 WeakPolarHBondContact O-CA 3.47Å; V623-S653 WeakPolarHBondContact O-CB 3.28Å; V623-A654 PolarHBondContact N-O 3.04Å; V623-A654 PolarHBondContact O-N 2.98Å; V623-I670 HydrophobicContact CG1-CG2 4.44Å; V623-I670 HydrophobicContact CG2-CD1 4.01Å; V623-I670 HydrophobicContact CG2-CG2 4.33Å |
| 624 | E | 87.6 | Confident | 85.1 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.009 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 129.2 | 173.3 | -82.7 | 178.8 | 152.5 | 0 | 0 | 110.3 | I603 R604 F606 V622 G740 K766 | I603-E624 CarbonylContact C-O 3.43Å; I603-E624 VanDerWaalsContact CA-O 3.24Å; I603-E624 WeakPolarHBondContact CA-O 3.28Å; R604-E624 PolarHBondContact N-O 2.98Å; R604-E624 PolarHBondContact O-N 2.85Å; F606-E624 HydrophobicContact CE1-CG 4.23Å; F606-E624 WeakPolarHBondContact CE1-OE2 3.44Å; F606-E624 HydrophobicContact CZ-CG 4.34Å; V622-E624 HydrophobicContact CG1-CG 4.45Å; E624-G740 PolarHBondContact OE2-N 2.81Å; E624-K766 WeakPolarHBondContact OE1-CE 3.33Å; E624-K766 IonicContact OE1-NZ 2.72Å; E624-K766 PolarHBondContact OE1-NZ 3.35Å |
| 625 | T | 86.8 | Confident | 85.2 | Confident | 34 Ų | 34 | 39.1 Ų | 39.1 | 21% | 0.209 | 25% | 0.252 | C | S | . | . | trans | -75.8 | -26.7 | 178.8 | 58.1 | 0 | 0 | 0 | 0 | 113.1 | G627 E628 L632 G652 | T625-G627 PolarHBondContact O-N 2.93Å; T625-G627 VanDerWaalsContact O-N 3.14Å; T625-E628 WeakPolarHBondContact O-CB 3.18Å; T625-E628 PolarHBondContact O-N 2.8Å; T625-L632 HydrophobicContact CG2-CD1 4.12Å; T625-G652 WeakPolarHBondContact CB-O 3.48Å; T625-G652 PolarHBondContact N-O 2.91Å; T625-G652 PolarHBondContact OG1-O 2.9Å | ||
| 626 | N | 82.7 | Confident | 85.4 | Confident | 46 Ų | 46 | 39.2 Ų | 39.2 | 25% | 0.246 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 36.2 | -174.8 | -68.1 | -33.9 | 0 | 0 | 0 | 113.5 | R602 E628 N738 | R602-N626 HydrophobicContact CB-CB 3.82Å; R602-N626 WeakPolarHBondContact CD-O 3.46Å; R602-N626 WeakPolarHBondContact O-CB 3.41Å; R602-N626 PolarHBondContact O-ND2 3.11Å; N626-E628 VanDerWaalsContact C-N 3.32Å; N626-E628 PolarHBondContact O-N 3.41Å; N626-N738 PolarHBondContact OD1-O 2.84Å |
| 627 | G | 74.5 | Confident | 85.4 | Confident | 58 Ų | 58 | 38.8 Ų | 38.8 | 60% | 0.598 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | 13.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | T625 | T625-G627 PolarHBondContact O-N 2.93Å; T625-G627 VanDerWaalsContact O-N 3.14Å |
| 628 | E | 76.3 | Confident | 85.3 | Confident | 55 Ų | 55 | 38.2 Ų | 38.2 | 26% | 0.257 | 26% | 0.256 | S | S | . | . | trans | -91.5 | 111.8 | 170.6 | -171.7 | 163.2 | -107.4 | 0 | 0 | 109.4 | S601 R602 I603 T625 N626 | S601-E628 WeakPolarHBondContact CA-OE2 3.46Å; S601-E628 VanDerWaalsContact CB-OE2 3.32Å; S601-E628 WeakPolarHBondContact CB-OE2 3.43Å; S601-E628 PolarHBondContact OG-OE2 2.98Å; R602-E628 HydrophobicContact CB-CB 4.03Å; R602-E628 HydrophobicContact CG-CB 4.4Å; R602-E628 PolarHBondContact N-OE1 3.28Å; R602-E628 PolarHBondContact N-OE2 3.09Å; I603-E628 HydrophobicContact CG1-CB 4.23Å; I603-E628 HydrophobicContact CG1-CG 4.46Å; I603-E628 WeakPolarHBondContact CG1-OE2 3.48Å; I603-E628 PolarHBondContact N-OE2 3.24Å; T625-E628 WeakPolarHBondContact O-CB 3.18Å; T625-E628 PolarHBondContact O-N 2.8Å; N626-E628 VanDerWaalsContact C-N 3.32Å; N626-E628 PolarHBondContact O-N 3.41Å | ||
| 629 | T | 68.7 | Low | 84.8 | Confident | 136 Ų | 136 | 40.1 Ų | 40.1 | 83% | 0.834 | 27% | 0.268 | S | S | * | . | trans | -90.4 | 125 | -172.1 | 44.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 630 | G | 68.1 | Low | 84.4 | Confident | 35 Ų | 35 | 41.3 Ų | 41.3 | 36% | 0.361 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -176.7 | 162.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L632 N673 | G630-L632 PolarHBondContact O-N 2.96Å; G630-N673 WeakPolarHBondContact CA-OD1 3.15Å |
| 631 | A | 79.1 | Confident | 83.7 | Confident | 65 Ų | 65 | 49 Ų | 49 | 54% | 0.537 | 31% | 0.311 | S | S | . | . | trans | -71.4 | 115.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | C672 N673 | A631-C672 WeakPolarHBondContact O-CA 3.43Å; A631-N673 PolarHBondContact N-OD1 3.08Å; A631-N673 PolarHBondContact O-N 2.84Å | ||
| 632 | L | 85.7 | Confident | 83.2 | Confident | 53 Ų | 53 | 49.4 Ų | 49.4 | 28% | 0.277 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 135.4 | 172 | -74.6 | 173.8 | 0 | 0 | 0 | 110.2 | I603 V623 T625 G630 F634 L671 C672 | I603-L632 HydrophobicContact CD1-CD2 4.24Å; I603-L632 HydrophobicContact CG2-CD2 4.46Å; V623-L632 HydrophobicContact CG1-CD1 4.11Å; V623-L632 HydrophobicContact CG1-CD2 4.23Å; T625-L632 HydrophobicContact CG2-CD1 4.12Å; G630-L632 PolarHBondContact O-N 2.96Å; L632-F634 HydrophobicContact CB-CE2 4.37Å; L632-F634 HydrophobicContact CB-CZ 4.17Å; L632-L671 WeakPolarHBondContact CA-O 3.35Å; L632-L671 WeakPolarHBondContact CD2-O 3.31Å; L632-C672 HydrophobicContact CD2-CB 4.35Å |
| 633 | G | 87.3 | Confident | 83 | Confident | 21 Ų | 21 | 56.8 Ų | 56.8 | 22% | 0.216 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 153.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L671 | G633-L671 PolarHBondContact N-O 3.09Å; G633-L671 PolarHBondContact O-N 3.27Å |
| 634 | F | 92.4 | Very high | 83 | Confident | 42 Ų | 42 | 59.5 Ų | 59.5 | 18% | 0.184 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 131.6 | -176.2 | -53.7 | -73.5 | 0 | 0 | 0 | 110.1 | F621 V623 L632 I644 C646 V656 H669 I670 | F621-F634 HydrophobicContact CE2-CD1 4.49Å; F621-F634 HydrophobicContact CE2-CE1 4.3Å; F621-F634 HydrophobicContact CZ-CD1 4.31Å; V623-F634 HydrophobicContact CG2-CE1 3.99Å; V623-F634 HydrophobicContact CG2-CZ 4.38Å; L632-F634 HydrophobicContact CB-CE2 4.37Å; L632-F634 HydrophobicContact CB-CZ 4.17Å; F634-I644 HydrophobicContact CB-CD1 4.19Å; F634-I644 HydrophobicContact CB-CG2 4.34Å; F634-C646 HydrophobicContact CD2-CB 4.32Å; F634-C646 HydrophobicContact CE2-CB 4.15Å; F634-V656 HydrophobicContact CD1-CG1 4.46Å; F634-V656 HydrophobicContact CD1-CG2 4.25Å; F634-V656 HydrophobicContact CD2-CG2 4.43Å; F634-V656 HydrophobicContact CE1-CG2 3.75Å; F634-V656 HydrophobicContact CE2-CG2 3.96Å; F634-V656 HydrophobicContact CG-CG1 4.43Å; F634-V656 HydrophobicContact CZ-CG2 3.59Å; F634-H669 WeakPolarHBondContact CA-O 3.36Å; F634-I670 HydrophobicContact CD1-CG1 4.13Å; F634-I670 HydrophobicContact CD1-CG2 4.37Å; F634-I670 HydrophobicContact CE1-CG1 4.24Å; F634-I670 HydrophobicContact CE1-CG2 3.91Å |
| 635 | S | 89.5 | Confident | 83 | Confident | 40 Ų | 40 | 62.2 Ų | 62.2 | 28% | 0.28 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 152.1 | 164.4 | 76.2 | 0 | 0 | 0 | 0 | 109.7 | H669 | S635-H669 PolarHBondContact N-O 2.9Å; S635-H669 PolarHBondContact O-N 3.4Å; S635-H669 WeakPolarHBondContact OG-CB 3.46Å; S635-H669 PolarHBondContact OG-CD2 2.79Å |
| 636 | I | 92 | Very high | 83.1 | Confident | 18 Ų | 18 | 63.8 Ų | 63.8 | 9% | 0.092 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 109 | -176.4 | -62.5 | -173.4 | 0 | 0 | 0 | 108.3 | A642 I644 Y658 Y666 A667 V668 | I636-A642 HydrophobicContact CG2-CB 4.09Å; I636-I644 HydrophobicContact CB-CD1 4.26Å; I636-I644 HydrophobicContact CD1-CD1 4.04Å; I636-I644 HydrophobicContact CD1-CG1 3.98Å; I636-I644 HydrophobicContact CG1-CD1 3.78Å; I636-I644 HydrophobicContact CG1-CG1 4.21Å; I636-Y658 VanDerWaalsContact CD1-CB 3.41Å; I636-Y658 HydrophobicContact CD1-CD1 3.39Å; I636-Y658 HydrophobicContact CD1-CD2 3.66Å; I636-Y658 HydrophobicContact CD1-CE1 3.96Å; I636-Y658 HydrophobicContact CD1-CE2 4.2Å; I636-Y658 HydrophobicContact CD1-CG 3.21Å; I636-Y658 HydrophobicContact CG2-CD2 4.11Å; I636-Y658 HydrophobicContact CG2-CE2 4.22Å; I636-Y666 HydrophobicContact CG2-CD1 3.8Å; I636-A667 WeakPolarHBondContact CA-O 3.38Å; I636-V668 HydrophobicContact CD1-CG1 4.21Å; I636-V668 HydrophobicContact CD1-CG2 4.14Å; I636-V668 HydrophobicContact CG1-CB 4.42Å; I636-V668 HydrophobicContact CG1-CG1 4.13Å; I636-V668 HydrophobicContact CG1-CG2 4.14Å; I636-V668 HydrophobicContact CG2-CG2 4.31Å |
| 637 | E | 87.7 | Confident | 83.1 | Confident | 99 Ų | 99 | 65.4 Ų | 65.4 | 46% | 0.463 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 140.8 | -176.5 | -61.1 | -179.9 | -158.8 | 0 | 0 | 109.6 | Y666 A667 | E637-Y666 CarbonylContact O-C 3.54Å; E637-Y666 VanDerWaalsContact O-CA 3.24Å; E637-Y666 WeakPolarHBondContact O-CA 3.48Å; E637-A667 HydrophobicContact CB-CB 4.45Å; E637-A667 PolarHBondContact N-O 2.9Å; E637-A667 PolarHBondContact O-N 2.89Å |
| 638 | G | 85.5 | Confident | 83.5 | Confident | 42 Ų | 42 | 68.4 Ų | 68.4 | 43% | 0.433 | 40% | 0.396 | S | S | . | . | S | Bend | trans | 177.4 | -166.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S640 | G638-S640 PolarHBondContact O-N 2.8Å; G638-S640 VanDerWaalsContact O-N 3.14Å |
| 639 | P | 80.4 | Confident | 83.8 | Confident | 78 Ų | 78 | 68.4 Ų | 68.4 | 51% | 0.506 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -59.8 | -20.4 | -179 | -23.7 | 32.7 | 0 | 0 | 0 | 115.3 | A662 Y666 | P639-A662 HydrophobicContact CB-CB 4.24Å; P639-Y666 HydrophobicContact CG-CE2 4.31Å |
| 640 | S | 81.2 | Confident | 84.2 | Confident | 29 Ų | 29 | 65.5 Ų | 65.5 | 20% | 0.203 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -148.8 | 164.3 | 168.9 | 65.7 | 0 | 0 | 0 | 0 | 109.6 | G638 T661 A662 Y666 | G638-S640 PolarHBondContact O-N 2.8Å; G638-S640 VanDerWaalsContact O-N 3.14Å; S640-T661 WeakPolarHBondContact CB-OG1 3.37Å; S640-T661 PolarHBondContact OG-OG1 3.4Å; S640-A662 WeakPolarHBondContact OG-CB 3.16Å; S640-A662 PolarHBondContact OG-N 2.85Å; S640-Y666 VanDerWaalsContact O-CE1 3.23Å; S640-Y666 WeakPolarHBondContact O-CE1 3.39Å; S640-Y666 PolarHBondContact OG-OH 2.7Å |
| 641 | E | 78.4 | Confident | 84.6 | Confident | 176 Ų | 176 | 66.3 Ų | 66.3 | 82% | 0.822 | 39% | 0.391 | S | S | * | . | trans | -71.1 | 143.5 | 173.9 | -165.3 | 167.5 | -134.3 | 0 | 0 | 111.1 | T661 | E641-T661 PolarHBondContact O-OG1 2.63Š| ||
| 642 | A | 81 | Confident | 84.6 | Confident | 9 Ų | 9 | 64.8 Ų | 64.8 | 7% | 0.074 | 38% | 0.382 | C | S | . | . | trans | -125.9 | 124 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | I636 I644 Y658 W659 Y666 | I636-A642 HydrophobicContact CG2-CB 4.09Å; A642-I644 PolarHBondContact O-N 3.29Å; A642-Y658 HydrophobicContact CB-CD2 4.2Å; A642-W659 WeakPolarHBondContact CA-O 3.48Å; A642-W659 WeakPolarHBondContact CB-O 3.3Å; A642-Y666 HydrophobicContact CB-CE1 4.32Å | ||
| 643 | R | 87.4 | Confident | 84.6 | Confident | 155 Ų | 155 | 62.4 Ų | 62.4 | 59% | 0.585 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 139.5 | 168.5 | 168.9 | -177.3 | 168.3 | 154.9 | -0.9 | 109.3 | D645 Y658 W659 | R643-D645 IonicContact CZ-OD2 3.34Å; R643-D645 IonicContact NE-OD2 2.81Å; R643-D645 PolarHBondContact NE-OD2 3.11Å; R643-D645 IonicContact NH2-OD1 2.66Å; R643-D645 IonicContact NH2-OD2 3.09Å; R643-D645 PolarHBondContact NH2-OD2 3.48Å; R643-Y658 WeakPolarHBondContact O-CA 3.3Å; R643-Y658 VanDerWaalsContact O-CB 3.22Å; R643-Y658 WeakPolarHBondContact O-CB 3.33Å; R643-W659 HydrophobicContact CB-CE3 4.06Å; R643-W659 HydrophobicContact CG-CE3 3.75Å; R643-W659 HydrophobicContact CG-CZ3 4.01Å; R643-W659 PolarHBondContact O-N 2.89Å; R643-W659 VanDerWaalsContact O-N 3.1Å |
| 644 | I | 91 | Very high | 84.6 | Confident | 57 Ų | 57 | 61.7 Ų | 61.7 | 29% | 0.292 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 134.9 | 171.2 | -46.6 | 178.4 | 0 | 0 | 0 | 108.4 | F634 I636 A642 V656 A657 | F634-I644 HydrophobicContact CB-CD1 4.19Å; F634-I644 HydrophobicContact CB-CG2 4.34Å; I636-I644 HydrophobicContact CB-CD1 4.26Å; I636-I644 HydrophobicContact CD1-CD1 4.04Å; I636-I644 HydrophobicContact CD1-CG1 3.98Å; I636-I644 HydrophobicContact CG1-CD1 3.78Å; I636-I644 HydrophobicContact CG1-CG1 4.21Å; A642-I644 PolarHBondContact O-N 3.29Å; I644-V656 HydrophobicContact CG2-CG1 3.75Å; I644-A657 CarbonylContact C-O 3.45Å; I644-A657 WeakPolarHBondContact CA-O 3.49Å |
| 645 | D | 87.3 | Confident | 84.5 | Confident | 58 Ų | 58 | 60.7 Ų | 60.7 | 31% | 0.31 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 140.2 | 160.8 | -87.7 | -71.7 | 0 | 0 | 0 | 109.2 | R643 V656 A657 W659 | R643-D645 IonicContact CZ-OD2 3.34Å; R643-D645 IonicContact NE-OD2 2.81Å; R643-D645 PolarHBondContact NE-OD2 3.11Å; R643-D645 IonicContact NH2-OD1 2.66Å; R643-D645 IonicContact NH2-OD2 3.09Å; R643-D645 PolarHBondContact NH2-OD2 3.48Å; D645-V656 CarbonylContact O-C 3.44Å; D645-V656 WeakPolarHBondContact O-CA 3.49Å; D645-A657 PolarHBondContact N-O 3.02Å; D645-A657 PolarHBondContact O-N 3.33Å; D645-W659 HydrophobicContact CB-CH2 4Å; D645-W659 HydrophobicContact CB-CZ3 3.9Å; D645-W659 WeakPolarHBondContact OD2-CH2 3.4Å; D645-W659 WeakPolarHBondContact OD2-CZ3 3.32Å |
| 646 | C | 89.1 | Confident | 84.6 | Confident | 67 Ų | 67 | 58.8 Ų | 58.8 | 45% | 0.453 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 129.5 | 173 | 176.4 | 0 | 0 | 0 | 0 | 109.5 | F634 | F634-C646 HydrophobicContact CD2-CB 4.32Å; F634-C646 HydrophobicContact CE2-CB 4.15Å |
| 647 | T | 83 | Confident | 84.6 | Confident | 81 Ų | 81 | 58.7 Ų | 58.7 | 50% | 0.497 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 112 | 175.8 | -52.8 | 0 | 0 | 0 | 0 | 108.4 | N649 A654 T655 | T647-N649 PolarHBondContact O-ND2 3.25Å; T647-A654 CarbonylContact O-C 3.46Å; T647-A654 WeakPolarHBondContact O-CA 3.28Å; T647-T655 PolarHBondContact N-O 2.89Å; T647-T655 PolarHBondContact O-N 3.21Å |
| 648 | D | 82.1 | Confident | 84.9 | Confident | 121 Ų | 121 | 54 Ų | 54 | 65% | 0.647 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 141.7 | 162.6 | -168.4 | -15 | 0 | 0 | 0 | 108.7 | G650 | D648-G650 PolarHBondContact OD1-N 3.01Å |
| 649 | N | 83.7 | Confident | 85.2 | Confident | 55 Ų | 55 | 55.5 Ų | 55.5 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | trans | -116 | 6.1 | -174.2 | -51.5 | -101.4 | 0 | 0 | 0 | 111.7 | T647 D651 S653 T655 R784 | T647-N649 PolarHBondContact O-ND2 3.25Å; N649-D651 PolarHBondContact O-N 3.42Å; N649-S653 PolarHBondContact N-O 2.98Å; N649-S653 VanDerWaalsContact N-O 3.08Å; N649-S653 PolarHBondContact ND2-O 3.15Å; N649-T655 PolarHBondContact ND2-N 3.12Å; N649-T655 VanDerWaalsContact ND2-N 3.2Å; N649-R784 VanDerWaalsContact CG-NH1 3.26Å; N649-R784 PolarHBondContact ND2-NH2 2.81Å; N649-R784 VanDerWaalsContact OD1-CZ 3.29Å; N649-R784 PolarHBondContact OD1-NH1 2.85Å | ||
| 650 | G | 76.5 | Confident | 85.7 | Confident | 75 Ų | 75 | 51.8 Ų | 51.8 | 77% | 0.773 | 30% | 0.295 | S | S | * | . | S | Bend | trans | 71.7 | -11.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | D648 G652 | D648-G650 PolarHBondContact OD1-N 3.01Å; G650-G652 VanDerWaalsContact C-N 3.31Å; G650-G652 PolarHBondContact O-N 3.32Å |
| 651 | D | 77.1 | Confident | 86 | Confident | 51 Ų | 51 | 54 Ų | 54 | 27% | 0.273 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -94.2 | 21.4 | -177 | 73.9 | -15.9 | 0 | 0 | 0 | 113 | N649 S653 K766 R784 | N649-D651 PolarHBondContact O-N 3.42Å; D651-S653 VanDerWaalsContact CG-OG 3.24Å; D651-S653 PolarHBondContact O-N 2.91Å; D651-S653 WeakPolarHBondContact OD1-CA 3.33Å; D651-S653 VanDerWaalsContact OD1-CB 3.29Å; D651-S653 WeakPolarHBondContact OD1-CB 3.45Å; D651-S653 PolarHBondContact OD1-N 3.43Å; D651-S653 PolarHBondContact OD1-OG 2.87Å; D651-S653 PolarHBondContact OD2-OG 2.88Å; D651-S653 VanDerWaalsContact OD2-OG 3.12Å; D651-K766 HydrophobicContact CB-CD 4.05Å; D651-K766 PolarHBondContact O-NZ 3.37Å; D651-K766 IonicContact OD1-NZ 2.73Å; D651-K766 PolarHBondContact OD1-NZ 3.47Å; D651-K766 VanDerWaalsContact OD2-CD 3.27Å; D651-K766 WeakPolarHBondContact OD2-CD 3.44Å; D651-K766 IonicContact OD2-NZ 2.76Å; D651-K766 PolarHBondContact OD2-NZ 2.93Å; D651-R784 IonicContact OD1-NE 3.61Å; D651-R784 VanDerWaalsContact OD2-CD 3.27Å; D651-R784 WeakPolarHBondContact OD2-CD 3.5Å; D651-R784 IonicContact OD2-NE 3.43Å; D651-R784 PolarHBondContact OD2-NE 3.46Å |
| 652 | G | 78.2 | Confident | 86.5 | Confident | 34 Ų | 34 | 46.8 Ų | 46.8 | 35% | 0.351 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 71.4 | 12.1 | -172 | 0 | 0 | 0 | 0 | 0 | 114.7 | T625 G650 | T625-G652 WeakPolarHBondContact CB-O 3.48Å; T625-G652 PolarHBondContact N-O 2.91Å; T625-G652 PolarHBondContact OG1-O 2.9Å; G650-G652 VanDerWaalsContact C-N 3.31Å; G650-G652 PolarHBondContact O-N 3.32Å |
| 653 | S | 85.8 | Confident | 86.8 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.014 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 145.1 | 175.4 | 77 | 0 | 0 | 0 | 0 | 114.2 | V623 N649 D651 K766 R784 | V623-S653 CarbonylContact O-C 3.53Å; V623-S653 WeakPolarHBondContact O-CA 3.47Å; V623-S653 WeakPolarHBondContact O-CB 3.28Å; N649-S653 PolarHBondContact N-O 2.98Å; N649-S653 VanDerWaalsContact N-O 3.08Å; N649-S653 PolarHBondContact ND2-O 3.15Å; D651-S653 VanDerWaalsContact CG-OG 3.24Å; D651-S653 PolarHBondContact O-N 2.91Å; D651-S653 WeakPolarHBondContact OD1-CA 3.33Å; D651-S653 VanDerWaalsContact OD1-CB 3.29Å; D651-S653 WeakPolarHBondContact OD1-CB 3.45Å; D651-S653 PolarHBondContact OD1-N 3.43Å; D651-S653 PolarHBondContact OD1-OG 2.87Å; D651-S653 PolarHBondContact OD2-OG 2.88Å; D651-S653 VanDerWaalsContact OD2-OG 3.12Å; S653-K766 PolarHBondContact OG-NZ 2.88Å; S653-R784 PolarHBondContact OG-NE 2.85Å; S653-R784 PolarHBondContact OG-NH2 3.22Å |
| 654 | A | 86.7 | Confident | 86.8 | Confident | 7 Ų | 7 | 43.7 Ų | 43.7 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 142.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | V622 V623 T647 | V622-A654 CarbonylContact C-O 3.57Å; V622-A654 WeakPolarHBondContact CA-O 3.46Å; V623-A654 PolarHBondContact N-O 3.04Å; V623-A654 PolarHBondContact O-N 2.98Å; T647-A654 CarbonylContact O-C 3.46Å; T647-A654 WeakPolarHBondContact O-CA 3.28Å |
| 655 | T | 90.6 | Very high | 86.7 | Confident | 21 Ų | 21 | 42.6 Ų | 42.6 | 13% | 0.129 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 128.4 | 164.9 | -63.9 | 0 | 0 | 0 | 0 | 107.1 | V620 T647 N649 P782 R784 | V620-T655 HydrophobicContact CG1-CG2 3.91Å; T647-T655 PolarHBondContact N-O 2.89Å; T647-T655 PolarHBondContact O-N 3.21Å; N649-T655 PolarHBondContact ND2-N 3.12Å; N649-T655 VanDerWaalsContact ND2-N 3.2Å; T655-P782 HydrophobicContact CG2-CG 4.24Å; T655-R784 PolarHBondContact OG1-NH1 2.89Å; T655-R784 PolarHBondContact OG1-NH2 2.83Å |
| 656 | V | 92.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 133.3 | -176.7 | -172.3 | 0 | 0 | 0 | 0 | 108.8 | V620 F621 F634 I644 D645 | V620-V656 CarbonylContact C-O 3.56Å; V620-V656 WeakPolarHBondContact CA-O 3.28Å; F621-V656 HydrophobicContact CD1-CB 4.22Å; F621-V656 HydrophobicContact CD1-CG1 4.5Å; F621-V656 HydrophobicContact CD2-CB 4.06Å; F621-V656 HydrophobicContact CD2-CG2 4.37Å; F621-V656 HydrophobicContact CE1-CB 3.84Å; F621-V656 HydrophobicContact CE1-CG1 3.71Å; F621-V656 HydrophobicContact CE2-CB 3.66Å; F621-V656 HydrophobicContact CE2-CG1 4.11Å; F621-V656 HydrophobicContact CE2-CG2 3.82Å; F621-V656 HydrophobicContact CG-CB 4.33Å; F621-V656 HydrophobicContact CZ-CB 3.56Å; F621-V656 HydrophobicContact CZ-CG1 3.49Å; F621-V656 VanDerWaalsContact CZ-CG1 3.49Å; F621-V656 HydrophobicContact CZ-CG2 4.07Å; F621-V656 PolarHBondContact N-O 2.96Å; F621-V656 PolarHBondContact O-N 3.18Å; F634-V656 HydrophobicContact CD1-CG1 4.46Å; F634-V656 HydrophobicContact CD1-CG2 4.25Å; F634-V656 HydrophobicContact CD2-CG2 4.43Å; F634-V656 HydrophobicContact CE1-CG2 3.75Å; F634-V656 HydrophobicContact CE2-CG2 3.96Å; F634-V656 HydrophobicContact CG-CG1 4.43Å; F634-V656 HydrophobicContact CZ-CG2 3.59Å; I644-V656 HydrophobicContact CG2-CG1 3.75Å; D645-V656 CarbonylContact O-C 3.44Å; D645-V656 WeakPolarHBondContact O-CA 3.49Å |
| 657 | A | 92 | Very high | 87 | Confident | 16 Ų | 16 | 36.8 Ų | 36.8 | 13% | 0.132 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 143.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | A619 V620 I644 D645 W659 | A619-A657 WeakPolarHBondContact O-CA 3.07Å; V620-A657 HydrophobicContact CG2-CB 4.02Å; I644-A657 CarbonylContact C-O 3.45Å; I644-A657 WeakPolarHBondContact CA-O 3.49Å; D645-A657 PolarHBondContact N-O 3.02Å; D645-A657 PolarHBondContact O-N 3.33Å; A657-W659 HydrophobicContact CB-CH2 3.86Å; A657-W659 HydrophobicContact CB-CZ2 4.47Å; A657-W659 HydrophobicContact CB-CZ3 4.11Å |
| 658 | Y | 93.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 155.8 | 170.9 | 68.8 | -84.4 | 0 | 0 | 0 | 113.2 | G609 P618 A619 F621 I636 A642 R643 P660 V668 V684 I686 | G609-Y658 VanDerWaalsContact O-CE1 3.27Å; G609-Y658 WeakPolarHBondContact O-CE1 3.42Å; G609-Y658 PolarHBondContact O-OH 2.94Å; P618-Y658 CarbonylContact C-O 3.48Å; P618-Y658 WeakPolarHBondContact CA-O 3.44Å; A619-Y658 HydrophobicContact CB-CD1 3.82Å; A619-Y658 HydrophobicContact CB-CD2 4.1Å; A619-Y658 HydrophobicContact CB-CE1 3.46Å; A619-Y658 VanDerWaalsContact CB-CE1 3.46Å; A619-Y658 HydrophobicContact CB-CE2 3.75Å; A619-Y658 HydrophobicContact CB-CG 4.13Å; A619-Y658 VanDerWaalsContact CB-CZ 3.42Å; A619-Y658 PolarHBondContact N-O 3.42Å; A619-Y658 WeakPolarHBondContact O-CD1 3.41Å; A619-Y658 PolarHBondContact O-N 3.23Å; F621-Y658 HydrophobicContact CD1-CD1 4.43Å; F621-Y658 HydrophobicContact CD1-CE1 4.26Å; F621-Y658 HydrophobicContact CE1-CD1 4.08Å; F621-Y658 HydrophobicContact CE1-CE1 4.11Å; I636-Y658 VanDerWaalsContact CD1-CB 3.41Å; I636-Y658 HydrophobicContact CD1-CD1 3.39Å; I636-Y658 HydrophobicContact CD1-CD2 3.66Å; I636-Y658 HydrophobicContact CD1-CE1 3.96Å; I636-Y658 HydrophobicContact CD1-CE2 4.2Å; I636-Y658 HydrophobicContact CD1-CG 3.21Å; I636-Y658 HydrophobicContact CG2-CD2 4.11Å; I636-Y658 HydrophobicContact CG2-CE2 4.22Å; A642-Y658 HydrophobicContact CB-CD2 4.2Å; R643-Y658 WeakPolarHBondContact O-CA 3.3Å; R643-Y658 VanDerWaalsContact O-CB 3.22Å; R643-Y658 WeakPolarHBondContact O-CB 3.33Å; Y658-P660 HydrophobicContact CD2-CG 4.38Å; Y658-P660 HydrophobicContact CE2-CB 4.41Å; Y658-P660 HydrophobicContact CE2-CG 4.21Å; Y658-P660 WeakPolarHBondContact O-CD 3.41Å; Y658-V668 HydrophobicContact CE1-CG2 3.97Å; Y658-V668 HydrophobicContact CE2-CG2 4.46Å; Y658-V684 WeakPolarHBondContact OH-CG1 3.41Å; Y658-I686 HydrophobicContact CE2-CD1 4.46Å |
| 659 | W | 92.6 | Very high | 88.1 | Confident | 74 Ų | 74 | 27.7 Ų | 27.7 | 28% | 0.28 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 91.6 | -175.1 | -67.5 | -100.3 | 0 | 0 | 0 | 110.4 | P618 A642 R643 D645 A657 | P618-W659 HydrophobicContact CB-CZ2 4.13Å; A642-W659 WeakPolarHBondContact CA-O 3.48Å; A642-W659 WeakPolarHBondContact CB-O 3.3Å; R643-W659 HydrophobicContact CB-CE3 4.06Å; R643-W659 HydrophobicContact CG-CE3 3.75Å; R643-W659 HydrophobicContact CG-CZ3 4.01Å; R643-W659 PolarHBondContact O-N 2.89Å; R643-W659 VanDerWaalsContact O-N 3.1Å; D645-W659 HydrophobicContact CB-CH2 4Å; D645-W659 HydrophobicContact CB-CZ3 3.9Å; D645-W659 WeakPolarHBondContact OD2-CH2 3.4Å; D645-W659 WeakPolarHBondContact OD2-CZ3 3.32Å; A657-W659 HydrophobicContact CB-CH2 3.86Å; A657-W659 HydrophobicContact CB-CZ2 4.47Å; A657-W659 HydrophobicContact CB-CZ3 4.11Å |
| 660 | P | 89 | Confident | 88.6 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -73.4 | 127.3 | 175.8 | 30.5 | -33 | 0 | 0 | 0 | 110.1 | V615 N616 Y658 Y666 I686 | V615-P660 WeakPolarHBondContact CA-O 3.32Å; N616-P660 PolarHBondContact N-O 3Å; Y658-P660 HydrophobicContact CD2-CG 4.38Å; Y658-P660 HydrophobicContact CE2-CB 4.41Å; Y658-P660 HydrophobicContact CE2-CG 4.21Å; Y658-P660 WeakPolarHBondContact O-CD 3.41Å; P660-Y666 HydrophobicContact CB-CD2 4.48Å; P660-Y666 HydrophobicContact CB-CE1 3.99Å; P660-Y666 HydrophobicContact CB-CE2 3.79Å; P660-I686 HydrophobicContact CB-CB 4.43Å; P660-I686 HydrophobicContact CB-CD1 4.34Å; P660-I686 HydrophobicContact CB-CG1 3.87Å; P660-I686 HydrophobicContact CB-CG2 3.93Å; P660-I686 HydrophobicContact CG-CB 4.38Å; P660-I686 HydrophobicContact CG-CD1 3.8Å; P660-I686 HydrophobicContact CG-CG1 3.84Å; P660-I686 HydrophobicContact CG-CG2 3.66Å | ||
| 661 | T | 89.3 | Confident | 89.3 | Confident | 76 Ų | 76 | 23.1 Ų | 23.1 | 47% | 0.466 | 15% | 0.146 | S | C | . | . | trans | -97.8 | -8.2 | -172.8 | 49.8 | 0 | 0 | 0 | 0 | 113.8 | S640 E641 | S640-T661 WeakPolarHBondContact CB-OG1 3.37Å; S640-T661 PolarHBondContact OG-OG1 3.4Å; E641-T661 PolarHBondContact O-OG1 2.63Å | ||
| 662 | A | 87.1 | Confident | 89.8 | Confident | 23 Ų | 23 | 21.1 Ų | 21.1 | 19% | 0.19 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -135.2 | 152.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V615 P639 S640 Y666 | V615-A662 VanDerWaalsContact CG2-C 3.49Å; P639-A662 HydrophobicContact CB-CB 4.24Å; S640-A662 WeakPolarHBondContact OG-CB 3.16Å; S640-A662 PolarHBondContact OG-N 2.85Å; A662-Y666 PolarHBondContact N-OH 3.43Å; A662-Y666 WeakPolarHBondContact O-CE2 3.17Å; A662-Y666 PolarHBondContact O-OH 2.82Å |
| 663 | P | 88.1 | Confident | 90.1 | Very high | 70 Ų | 70 | 24.3 Ų | 24.3 | 46% | 0.455 | 14% | 0.144 | S | C | . | . | trans | -79.6 | 148.4 | 177.2 | 32.6 | -33.8 | 0 | 0 | 0 | 111.5 | V615 I686 P688 | V615-P663 HydrophobicContact CG2-CB 3.91Å; V615-P663 HydrophobicContact CG2-CG 4.41Å; P663-I686 WeakPolarHBondContact CA-O 3.41Å; P663-P688 HydrophobicContact CB-CB 4.25Å; P663-P688 HydrophobicContact CG-CB 4.45Å | ||
| 664 | G | 86.8 | Confident | 90.1 | Very high | 29 Ų | 29 | 29 Ų | 29 | 30% | 0.299 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 141.2 | -168.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | I686 | G664-I686 PolarHBondContact N-O 3.13Å; G664-I686 PolarHBondContact O-N 3.28Å |
| 665 | E | 89.1 | Confident | 90 | Very high | 35 Ų | 35 | 32.1 Ų | 32.1 | 16% | 0.164 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 116.1 | -173.1 | -152.7 | 168.4 | -117.8 | 0 | 0 | 110.5 | T510 G511 K528 M683 V684 | T510-E665 WeakPolarHBondContact CB-OE2 3.46Å; T510-E665 PolarHBondContact OG1-OE2 2.94Å; G511-E665 PolarHBondContact N-OE2 3.3Å; K528-E665 IonicContact NZ-OE1 2.72Å; K528-E665 PolarHBondContact NZ-OE1 2.74Å; E665-M683 HydrophobicContact CG-CB 4.46Å; E665-M683 HydrophobicContact CG-CE 4.12Å; E665-V684 WeakPolarHBondContact CA-O 2.97Å |
| 666 | Y | 91.9 | Very high | 90 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 144.1 | -178.6 | -74.6 | -109.8 | 0 | 0 | 0 | 111.3 | I636 E637 P639 S640 A642 P660 A662 M683 V684 I686 | I636-Y666 HydrophobicContact CG2-CD1 3.8Å; E637-Y666 CarbonylContact O-C 3.54Å; E637-Y666 VanDerWaalsContact O-CA 3.24Å; E637-Y666 WeakPolarHBondContact O-CA 3.48Å; P639-Y666 HydrophobicContact CG-CE2 4.31Å; S640-Y666 VanDerWaalsContact O-CE1 3.23Å; S640-Y666 WeakPolarHBondContact O-CE1 3.39Å; S640-Y666 PolarHBondContact OG-OH 2.7Å; A642-Y666 HydrophobicContact CB-CE1 4.32Å; P660-Y666 HydrophobicContact CB-CD2 4.48Å; P660-Y666 HydrophobicContact CB-CE1 3.99Å; P660-Y666 HydrophobicContact CB-CE2 3.79Å; A662-Y666 PolarHBondContact N-OH 3.43Å; A662-Y666 WeakPolarHBondContact O-CE2 3.17Å; A662-Y666 PolarHBondContact O-OH 2.82Å; Y666-M683 CarbonylContact O-C 3.58Å; Y666-M683 WeakPolarHBondContact O-CA 3.29Å; Y666-V684 PolarHBondContact N-O 3.23Å; Y666-V684 PolarHBondContact O-N 3.1Å; Y666-I686 HydrophobicContact CD2-CB 4.11Å; Y666-I686 HydrophobicContact CD2-CG1 3.36Å; Y666-I686 HydrophobicContact CE2-CB 3.98Å; Y666-I686 HydrophobicContact CE2-CG1 3.59Å; Y666-I686 HydrophobicContact CG-CG1 4.25Å |
| 667 | A | 92 | Very high | 89.9 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 2% | 0.017 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 108 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | I636 E637 P681 M683 | I636-A667 WeakPolarHBondContact CA-O 3.38Å; E637-A667 HydrophobicContact CB-CB 4.45Å; E637-A667 PolarHBondContact N-O 2.9Å; E637-A667 PolarHBondContact O-N 2.89Å; A667-P681 HydrophobicContact CB-CB 4.05Å; A667-M683 HydrophobicContact CB-CE 3.96Å; A667-M683 HydrophobicContact CB-SD 3.77Å |
| 668 | V | 94.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 106.7 | 175.5 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | L610 F621 I636 Y658 P681 F682 V684 | L610-V668 HydrophobicContact CD2-CB 4.08Å; L610-V668 HydrophobicContact CD2-CG1 3.65Å; F621-V668 HydrophobicContact CE1-CG1 3.85Å; F621-V668 HydrophobicContact CZ-CG1 3.84Å; I636-V668 HydrophobicContact CD1-CG1 4.21Å; I636-V668 HydrophobicContact CD1-CG2 4.14Å; I636-V668 HydrophobicContact CG1-CB 4.42Å; I636-V668 HydrophobicContact CG1-CG1 4.13Å; I636-V668 HydrophobicContact CG1-CG2 4.14Å; I636-V668 HydrophobicContact CG2-CG2 4.31Å; Y658-V668 HydrophobicContact CE1-CG2 3.97Å; Y658-V668 HydrophobicContact CE2-CG2 4.46Å; V668-P681 CarbonylContact O-C 3.57Å; V668-P681 VanDerWaalsContact O-CA 3.3Å; V668-P681 WeakPolarHBondContact O-CA 3.29Å; V668-F682 HydrophobicContact CB-CB 4.48Å; V668-F682 PolarHBondContact N-O 2.93Å; V668-F682 PolarHBondContact O-N 2.86Å; V668-V684 HydrophobicContact CB-CG2 4.41Å; V668-V684 HydrophobicContact CG2-CG2 3.74Å |
| 669 | H | 93.8 | Very high | 89.4 | Confident | 10 Ų | 10 | 40 Ų | 40 | 5% | 0.046 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 132.7 | 174.6 | -69.8 | -88.8 | 0 | 0 | 0 | 111.1 | F634 S635 L671 N676 S680 P681 | F634-H669 WeakPolarHBondContact CA-O 3.36Å; S635-H669 PolarHBondContact N-O 2.9Å; S635-H669 PolarHBondContact O-N 3.4Å; S635-H669 WeakPolarHBondContact OG-CB 3.46Å; S635-H669 PolarHBondContact OG-CD2 2.79Å; H669-L671 HydrophobicContact CB-CD2 4.39Å; H669-N676 PolarHBondContact ND1-ND2 2.91Å; H669-N676 PolarHBondContact ND1-OD1 3.35Å; H669-S680 WeakPolarHBondContact CA-OG 3.31Å; H669-P681 VanDerWaalsContact CE1-CG 3.44Å; H669-P681 WeakPolarHBondContact CE1-CG 3.35Å |
| 670 | I | 93.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 113.2 | 169.5 | -57.1 | 175.1 | 0 | 0 | 0 | 107 | A605 L610 F621 V623 F634 N676 I677 S680 F682 | A605-I670 HydrophobicContact CB-CD1 3.33Å; L610-I670 HydrophobicContact CD1-CD1 4.18Å; L610-I670 HydrophobicContact CD2-CD1 4.2Å; F621-I670 HydrophobicContact CD2-CD1 4.17Å; F621-I670 HydrophobicContact CE2-CD1 3.5Å; F621-I670 HydrophobicContact CE2-CG1 4.07Å; F621-I670 HydrophobicContact CZ-CD1 4.13Å; F621-I670 HydrophobicContact CZ-CG1 4.31Å; V623-I670 HydrophobicContact CG1-CG2 4.44Å; V623-I670 HydrophobicContact CG2-CD1 4.01Å; V623-I670 HydrophobicContact CG2-CG2 4.33Å; F634-I670 HydrophobicContact CD1-CG1 4.13Å; F634-I670 HydrophobicContact CD1-CG2 4.37Å; F634-I670 HydrophobicContact CE1-CG1 4.24Å; F634-I670 HydrophobicContact CE1-CG2 3.91Å; I670-N676 WeakPolarHBondContact O-CA 3.49Å; I670-I677 HydrophobicContact CB-CD1 3.93Å; I670-I677 HydrophobicContact CB-CG1 4Å; I670-I677 HydrophobicContact CD1-CD1 4.49Å; I670-I677 HydrophobicContact CG2-CD1 3.62Å; I670-I677 HydrophobicContact CG2-CG1 4.03Å; I670-I677 HydrophobicContact CG2-CG2 4.38Å; I670-I677 PolarHBondContact O-N 2.98Å; I670-S680 PolarHBondContact N-OG 2.77Å; I670-S680 PolarHBondContact O-OG 2.91Å; I670-F682 HydrophobicContact CD1-CD2 4.15Å; I670-F682 HydrophobicContact CD1-CE2 3.86Å; I670-F682 HydrophobicContact CG1-CE2 4.46Å |
| 671 | L | 90.7 | Very high | 89.5 | Confident | 35 Ų | 35 | 36.4 Ų | 36.4 | 18% | 0.183 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 146.3 | -175.8 | -50.9 | 178.4 | 0 | 0 | 0 | 109.8 | L632 G633 H669 E675 N676 | L632-L671 WeakPolarHBondContact CA-O 3.35Å; L632-L671 WeakPolarHBondContact CD2-O 3.31Å; G633-L671 PolarHBondContact N-O 3.09Å; G633-L671 PolarHBondContact O-N 3.27Å; H669-L671 HydrophobicContact CB-CD2 4.39Å; L671-E675 CarbonylContact C-O 3.45Å; L671-E675 WeakPolarHBondContact CA-O 3.27Å; L671-N676 HydrophobicContact CD2-CB 4.34Å; L671-N676 WeakPolarHBondContact CD2-ND2 3.35Å |
| 672 | C | 87.8 | Confident | 89.7 | Confident | 8 Ų | 8 | 34.4 Ų | 34.4 | 5% | 0.054 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 115.8 | 165.3 | 175.6 | 0 | 0 | 0 | 0 | 108.9 | I603 A631 L632 E675 I677 | I603-C672 HydrophobicContact CD1-CB 3.51Å; I603-C672 WeakPolarHBondContact CD1-SG 3.2Å; A631-C672 WeakPolarHBondContact O-CA 3.43Å; L632-C672 HydrophobicContact CD2-CB 4.35Å; C672-E675 PolarHBondContact N-O 3.24Å; C672-E675 PolarHBondContact O-N 2.76Å; C672-I677 HydrophobicContact CB-CG2 3.91Å |
| 673 | N | 85.1 | Confident | 90 | Very high | 101 Ų | 101 | 35 Ų | 35 | 54% | 0.54 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 55.4 | -168.4 | -55 | -34.2 | 0 | 0 | 0 | 110.7 | G630 A631 E675 | G630-N673 WeakPolarHBondContact CA-OD1 3.15Å; A631-N673 PolarHBondContact N-OD1 3.08Å; A631-N673 PolarHBondContact O-N 2.84Å; N673-E675 PolarHBondContact O-N 3.33Å |
| 674 | D | 84.1 | Confident | 90.2 | Very high | 102 Ų | 102 | 31.7 Ų | 31.7 | 55% | 0.545 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | -10.4 | -176.8 | -55.4 | -23.2 | 0 | 0 | 0 | 117 | K2127 | D674-K2127 IonicContact OD2-NZ 3.7Å; D674-K2127 PolarHBondContact OD2-NZ 3.43Å |
| 675 | E | 86.4 | Confident | 90.4 | Very high | 72 Ų | 72 | 33.2 Ų | 33.2 | 34% | 0.336 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 131.4 | 171.8 | -96.2 | -154.1 | 117.7 | 0 | 0 | 112.5 | R520 K599 L671 C672 N673 I677 | R520-E675 IonicContact CZ-OE1 3.28Å; R520-E675 VanDerWaalsContact CZ-OE1 3.24Å; R520-E675 IonicContact NH1-OE1 3.05Å; R520-E675 PolarHBondContact NH1-OE1 2.81Å; R520-E675 IonicContact NH2-OE1 2.88Å; R520-E675 PolarHBondContact NH2-OE1 2.9Å; R520-E675 IonicContact NH2-OE2 3.62Å; R520-E675 PolarHBondContact NH2-OE2 2.77Å; K599-E675 WeakPolarHBondContact CD-OE2 3.32Å; K599-E675 WeakPolarHBondContact CE-OE2 3.47Å; K599-E675 IonicContact NZ-OE2 3.44Å; K599-E675 PolarHBondContact NZ-OE2 2.84Å; L671-E675 CarbonylContact C-O 3.45Å; L671-E675 WeakPolarHBondContact CA-O 3.27Å; C672-E675 PolarHBondContact N-O 3.24Å; C672-E675 PolarHBondContact O-N 2.76Å; N673-E675 PolarHBondContact O-N 3.33Å; E675-I677 PolarHBondContact O-N 3.09Å |
| 676 | N | 89.9 | Confident | 90.5 | Very high | 10 Ų | 10 | 31.9 Ų | 31.9 | 5% | 0.053 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.6 | 126.7 | 166.1 | -87.5 | -90.7 | 0 | 0 | 0 | 112 | R520 H669 I670 L671 S680 | R520-N676 PolarHBondContact NE-O 3.11Å; R520-N676 PolarHBondContact NH2-O 3.49Å; H669-N676 PolarHBondContact ND1-ND2 2.91Å; H669-N676 PolarHBondContact ND1-OD1 3.35Å; I670-N676 WeakPolarHBondContact O-CA 3.49Å; L671-N676 HydrophobicContact CD2-CB 4.34Å; L671-N676 WeakPolarHBondContact CD2-ND2 3.35Å; N676-S680 WeakPolarHBondContact OD1-CB 3.37Å; N676-S680 PolarHBondContact OD1-OG 3.09Å |
| 677 | I | 90.9 | Very high | 90.3 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -66 | 161.4 | 174 | 70 | 169.2 | 0 | 0 | 0 | 111 | I603 A605 I670 C672 E675 K679 S680 | I603-I677 HydrophobicContact CB-CG2 4.48Å; I603-I677 HydrophobicContact CD1-CG2 4.32Å; I603-I677 HydrophobicContact CG2-CD1 3.97Å; I603-I677 HydrophobicContact CG2-CG2 4.25Å; A605-I677 HydrophobicContact CB-CD1 4.19Å; I670-I677 HydrophobicContact CB-CD1 3.93Å; I670-I677 HydrophobicContact CB-CG1 4Å; I670-I677 HydrophobicContact CD1-CD1 4.49Å; I670-I677 HydrophobicContact CG2-CD1 3.62Å; I670-I677 HydrophobicContact CG2-CG1 4.03Å; I670-I677 HydrophobicContact CG2-CG2 4.38Å; I670-I677 PolarHBondContact O-N 2.98Å; C672-I677 HydrophobicContact CB-CG2 3.91Å; E675-I677 PolarHBondContact O-N 3.09Å; I677-K679 PolarHBondContact O-N 3.4Å; I677-S680 WeakPolarHBondContact O-CB 3.41Å; I677-S680 PolarHBondContact O-N 3.2Å |
| 678 | P | 85.9 | Confident | 89.9 | Confident | 38 Ų | 38 | 41.9 Ų | 41.9 | 25% | 0.247 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 138.2 | 176.6 | -27 | 37.1 | 0 | 0 | 0 | 112.3 | K599 S680 | K599-P678 WeakPolarHBondContact O-CG 3.47Å; P678-S680 PolarHBondContact O-N 3.03Å |
| 679 | K | 87.7 | Confident | 89.3 | Confident | 149 Ų | 149 | 46 Ų | 46 | 65% | 0.648 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | -16.5 | -167.6 | -51.9 | 179 | -179.5 | 177 | 0 | 117 | R512 I677 P681 F682 | R512-K679 PolarHBondContact NE-O 2.66Å; R512-K679 PolarHBondContact NH2-O 2.92Å; I677-K679 PolarHBondContact O-N 3.4Å; K679-P681 CarbonylContact O-C 3.6Å; K679-F682 HydrophobicContact CB-CE1 3.98Å; K679-F682 HydrophobicContact CB-CZ 3.96Å |
| 680 | S | 92.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 147.1 | 174.6 | -172.8 | 0 | 0 | 0 | 0 | 111.5 | R512 G518 H669 I670 N676 I677 P678 | R512-S680 PolarHBondContact NH2-O 2.98Å; G518-S680 CarbonylContact C-O 3.5Å; H669-S680 WeakPolarHBondContact CA-OG 3.31Å; I670-S680 PolarHBondContact N-OG 2.77Å; I670-S680 PolarHBondContact O-OG 2.91Å; N676-S680 WeakPolarHBondContact OD1-CB 3.37Å; N676-S680 PolarHBondContact OD1-OG 3.09Å; I677-S680 WeakPolarHBondContact O-CB 3.41Å; I677-S680 PolarHBondContact O-N 3.2Å; P678-S680 PolarHBondContact O-N 3.03Å |
| 681 | P | 93.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | S | Bend | cis | -66.2 | 148.8 | -12 | 26.4 | -32.8 | 0 | 0 | 0 | 112.8 | R512 Q515 A667 V668 H669 K679 | R512-P681 VanDerWaalsContact CD-O 3.31Å; R512-P681 WeakPolarHBondContact CD-O 3.25Å; R512-P681 HydrophobicContact CG-CG 4.34Å; R512-P681 PolarHBondContact NE-O 3.45Å; Q515-P681 HydrophobicContact CB-CG 4.16Å; Q515-P681 HydrophobicContact CG-CG 3.91Å; A667-P681 HydrophobicContact CB-CB 4.05Å; V668-P681 CarbonylContact O-C 3.57Å; V668-P681 VanDerWaalsContact O-CA 3.3Å; V668-P681 WeakPolarHBondContact O-CA 3.29Å; H669-P681 VanDerWaalsContact CE1-CG 3.44Å; H669-P681 WeakPolarHBondContact CE1-CG 3.35Å; K679-P681 CarbonylContact O-C 3.6Å |
| 682 | F | 93.1 | Very high | 86.5 | Confident | 33 Ų | 33 | 60.9 Ų | 60.9 | 15% | 0.145 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 128.8 | 170.5 | -63.1 | -98.1 | 0 | 0 | 0 | 108.8 | A605 L610 V668 I670 K679 V684 | A605-F682 HydrophobicContact CB-CE2 4.4Å; A605-F682 HydrophobicContact CB-CZ 4.27Å; L610-F682 HydrophobicContact CB-CB 4.35Å; L610-F682 HydrophobicContact CB-CD1 4.23Å; L610-F682 HydrophobicContact CB-CG 4.32Å; L610-F682 HydrophobicContact CD1-CD1 4.47Å; L610-F682 HydrophobicContact CD1-CE1 4.5Å; L610-F682 HydrophobicContact CD2-CB 4.04Å; L610-F682 HydrophobicContact CD2-CD2 4.12Å; L610-F682 HydrophobicContact CD2-CG 4.04Å; V668-F682 HydrophobicContact CB-CB 4.48Å; V668-F682 PolarHBondContact N-O 2.93Å; V668-F682 PolarHBondContact O-N 2.86Å; I670-F682 HydrophobicContact CD1-CD2 4.15Å; I670-F682 HydrophobicContact CD1-CE2 3.86Å; I670-F682 HydrophobicContact CG1-CE2 4.46Å; K679-F682 HydrophobicContact CB-CE1 3.98Å; K679-F682 HydrophobicContact CB-CZ 3.96Å; F682-V684 HydrophobicContact CB-CG2 4.49Å |
| 683 | M | 92.4 | Very high | 85.9 | Confident | 37 Ų | 37 | 62.4 Ų | 62.4 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 117.3 | 179.7 | -59.9 | -57.8 | -42.1 | 0 | 0 | 110.3 | G511 R512 Q515 E665 Y666 A667 | G511-M683 VanDerWaalsContact C-SD 3.58Å; R512-M683 HydrophobicContact CB-CG 3.74Å; R512-M683 HydrophobicContact CB-SD 4.39Å; R512-M683 HydrophobicContact CG-CG 4.41Å; Q515-M683 HydrophobicContact CG-SD 4.14Å; E665-M683 HydrophobicContact CG-CB 4.46Å; E665-M683 HydrophobicContact CG-CE 4.12Å; Y666-M683 CarbonylContact O-C 3.58Å; Y666-M683 WeakPolarHBondContact O-CA 3.29Å; A667-M683 HydrophobicContact CB-CE 3.96Å; A667-M683 HydrophobicContact CB-SD 3.77Å |
| 684 | V | 92.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 111.8 | -167.7 | -166.6 | 0 | 0 | 0 | 0 | 110.7 | G612 Y658 E665 Y666 V668 F682 I686 | G612-V684 VanDerWaalsContact CA-CG1 3.48Å; Y658-V684 WeakPolarHBondContact OH-CG1 3.41Å; E665-V684 WeakPolarHBondContact CA-O 2.97Å; Y666-V684 PolarHBondContact N-O 3.23Å; Y666-V684 PolarHBondContact O-N 3.1Å; V668-V684 HydrophobicContact CB-CG2 4.41Å; V668-V684 HydrophobicContact CG2-CG2 3.74Å; F682-V684 HydrophobicContact CB-CG2 4.49Å; V684-I686 HydrophobicContact CG1-CD1 4.01Å |
| 685 | P | 90.5 | Very high | 85.9 | Confident | 60 Ų | 60 | 55.2 Ų | 55.2 | 39% | 0.39 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 123.9 | 172.1 | 29.7 | -33.5 | 0 | 0 | 0 | 111.1 | V611 G612 G613 | V611-P685 WeakPolarHBondContact O-CD 3.37Å; G612-P685 VanDerWaalsContact CA-O 3.28Å; G612-P685 WeakPolarHBondContact CA-O 3.48Å; G613-P685 PolarHBondContact N-O 2.69Å |
| 686 | I | 91 | Very high | 85.8 | Confident | 7 Ų | 7 | 57.5 Ų | 57.5 | 4% | 0.036 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 120.9 | 174.8 | -55.7 | -55 | 0 | 0 | 0 | 109.3 | G613 V615 Y658 P660 P663 G664 Y666 V684 | G613-I686 WeakPolarHBondContact O-CA 3.43Å; V615-I686 HydrophobicContact CG2-CG2 3.88Å; Y658-I686 HydrophobicContact CE2-CD1 4.46Å; P660-I686 HydrophobicContact CB-CB 4.43Å; P660-I686 HydrophobicContact CB-CD1 4.34Å; P660-I686 HydrophobicContact CB-CG1 3.87Å; P660-I686 HydrophobicContact CB-CG2 3.93Å; P660-I686 HydrophobicContact CG-CB 4.38Å; P660-I686 HydrophobicContact CG-CD1 3.8Å; P660-I686 HydrophobicContact CG-CG1 3.84Å; P660-I686 HydrophobicContact CG-CG2 3.66Å; P663-I686 WeakPolarHBondContact CA-O 3.41Å; G664-I686 PolarHBondContact N-O 3.13Å; G664-I686 PolarHBondContact O-N 3.28Å; Y666-I686 HydrophobicContact CD2-CB 4.11Å; Y666-I686 HydrophobicContact CD2-CG1 3.36Å; Y666-I686 HydrophobicContact CE2-CB 3.98Å; Y666-I686 HydrophobicContact CE2-CG1 3.59Å; Y666-I686 HydrophobicContact CG-CG1 4.25Å; V684-I686 HydrophobicContact CG1-CD1 4.01Å |
| 687 | E | 88.3 | Confident | 85.8 | Confident | 139 Ų | 139 | 63.7 Ų | 63.7 | 65% | 0.65 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 148 | 178.1 | -65.4 | -165.4 | 174.8 | 0 | 0 | 111.9 | G613 V614 V615 | G613-E687 PolarHBondContact O-N 3.23Å; V614-E687 WeakPolarHBondContact CA-O 3.37Å; V615-E687 PolarHBondContact N-O 3.04Å |
| 688 | P | 83.3 | Confident | 85.8 | Confident | 74 Ų | 74 | 63.7 Ų | 63.7 | 48% | 0.481 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 140.7 | 174.7 | 29.3 | -34.6 | 0 | 0 | 0 | 111.5 | P663 M690 | P663-P688 HydrophobicContact CB-CB 4.25Å; P663-P688 HydrophobicContact CG-CB 4.45Å; P688-M690 PolarHBondContact O-N 3.18Å |
| 689 | D | 82.8 | Confident | 86.1 | Confident | 88 Ų | 88 | 66.8 Ų | 66.8 | 47% | 0.471 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -63 | 119.9 | 178.2 | -167.9 | -8.1 | 0 | 0 | 0 | 111.2 | V614 G691 | V614-D689 HydrophobicContact CG1-CB 3.82Å; D689-G691 PolarHBondContact OD1-N 2.86Å |
| 690 | M | 79 | Confident | 86.3 | Confident | 138 Ų | 138 | 59.8 Ų | 59.8 | 68% | 0.68 | 31% | 0.311 | S | S | * | . | trans | -90.2 | -7.9 | 179.4 | -79.7 | -87.2 | -168.9 | 0 | 0 | 113.3 | P688 K692 | P688-M690 PolarHBondContact O-N 3.18Å; M690-K692 VanDerWaalsContact C-N 3.29Å; M690-K692 HydrophobicContact CB-CD 4.38Å; M690-K692 HydrophobicContact CB-CG 4.41Å; M690-K692 PolarHBondContact O-N 2.89Å | ||
| 691 | G | 69.5 | Low | 86.3 | Confident | 68 Ų | 68 | 64.5 Ų | 64.5 | 70% | 0.701 | 33% | 0.333 | S | S | * | . | S | Bend | trans | 65.7 | 21.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | D689 | D689-G691 PolarHBondContact OD1-N 2.86Š|
| 692 | K | 69.8 | Low | 86.2 | Confident | 150 Ų | 150 | 65.7 Ų | 65.7 | 65% | 0.652 | 35% | 0.345 | S | S | * | . | trans | -99.4 | -17 | -170.7 | -72.7 | 177.5 | -172.1 | 168 | 0 | 115.9 | M690 G727 | M690-K692 VanDerWaalsContact C-N 3.29Å; M690-K692 HydrophobicContact CB-CD 4.38Å; M690-K692 HydrophobicContact CB-CG 4.41Å; M690-K692 PolarHBondContact O-N 2.89Å; K692-G727 VanDerWaalsContact O-CA 3.32Å; K692-G727 WeakPolarHBondContact O-CA 3.36Å; K692-G727 PolarHBondContact O-N 3.04Å | ||
| 693 | C | 75.8 | Confident | 85.7 | Confident | 41 Ų | 41 | 68 Ų | 68 | 28% | 0.277 | 36% | 0.363 | S | S | . | . | trans | -146.5 | 150 | 178.6 | 59.9 | 0 | 0 | 0 | 0 | 110.2 | P695 S725 G727 A729 Y773 | C693-P695 WeakPolarHBondContact O-CD 3.5Å; C693-S725 CarbonylContact C-O 3.56Å; C693-S725 WeakPolarHBondContact CA-O 3.31Å; C693-G727 WeakPolarHBondContact CB-O 3.23Å; C693-A729 HydrophobicContact CB-CB 4.08Å; C693-Y773 HydrophobicContact CB-CD1 4.5Å; C693-Y773 HydrophobicContact CB-CE1 4.14Å | ||
| 694 | D | 84.1 | Confident | 85.6 | Confident | 44 Ų | 44 | 66.2 Ų | 66.2 | 24% | 0.235 | 35% | 0.354 | C | S | . | . | trans | -115.8 | 97 | 178.8 | -172.9 | -5.8 | 0 | 0 | 0 | 110 | E696 R697 S725 | D694-E696 PolarHBondContact O-N 2.85Å; D694-E696 PolarHBondContact OD1-N 2.92Å; D694-R697 HydrophobicContact CB-CG 4.22Å; D694-R697 PolarHBondContact O-N 2.84Å; D694-R697 WeakPolarHBondContact OD2-CD 3.19Å; D694-R697 WeakPolarHBondContact OD2-CG 3.32Å; D694-R697 IonicContact OD2-CZ 2.74Å; D694-R697 IonicContact OD2-NE 2.67Å; D694-R697 PolarHBondContact OD2-NE 2.81Å; D694-R697 IonicContact OD2-NH2 2.74Å; D694-S725 PolarHBondContact N-O 2.83Å | ||
| 695 | P | 84.9 | Confident | 85.6 | Confident | 7 Ų | 7 | 66.8 Ų | 66.8 | 5% | 0.045 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -61.4 | -24.7 | -178.9 | -23.8 | 34.8 | 0 | 0 | 0 | 113.8 | C693 R697 V698 V776 P779 | C693-P695 WeakPolarHBondContact O-CD 3.5Å; P695-R697 PolarHBondContact O-N 3.02Å; P695-V698 PolarHBondContact O-N 3.24Å; P695-V776 HydrophobicContact CB-CB 4.1Å; P695-V776 HydrophobicContact CB-CG1 4.27Å; P695-V776 HydrophobicContact CG-CB 3.84Å; P695-V776 HydrophobicContact CG-CG1 4.28Å; P695-V776 HydrophobicContact CG-CG2 4.27Å; P695-P779 WeakPolarHBondContact O-CD 3.46Å |
| 696 | E | 85.7 | Confident | 85.4 | Confident | 120 Ų | 120 | 69.1 Ų | 69.1 | 56% | 0.561 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -71.4 | -15.4 | -178.6 | -63.5 | -173.7 | -174.4 | 0 | 0 | 112.9 | D694 P779 | D694-E696 PolarHBondContact O-N 2.85Å; D694-E696 PolarHBondContact OD1-N 2.92Å; E696-P779 HydrophobicContact CB-CG 4.34Å; E696-P779 WeakPolarHBondContact O-CG 3.4Å |
| 697 | R | 89.2 | Confident | 85 | Confident | 140 Ų | 140 | 72.9 Ų | 72.9 | 53% | 0.528 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -89.1 | -10.2 | 176.7 | -62.8 | -178.5 | -171.1 | -147.8 | -0.6 | 113.7 | D694 P695 D724 | D694-R697 HydrophobicContact CB-CG 4.22Å; D694-R697 PolarHBondContact O-N 2.84Å; D694-R697 WeakPolarHBondContact OD2-CD 3.19Å; D694-R697 WeakPolarHBondContact OD2-CG 3.32Å; D694-R697 IonicContact OD2-CZ 2.74Å; D694-R697 IonicContact OD2-NE 2.67Å; D694-R697 PolarHBondContact OD2-NE 2.81Å; D694-R697 IonicContact OD2-NH2 2.74Å; P695-R697 PolarHBondContact O-N 3.02Å; R697-D724 HydrophobicContact CB-CB 3.89Å; R697-D724 WeakPolarHBondContact CD-O 2.85Å |
| 698 | V | 90.6 | Very high | 84.4 | Confident | 4 Ų | 4 | 70.8 Ų | 70.8 | 2% | 0.024 | 39% | 0.386 | C | S | . | . | trans | -76.4 | 129.6 | 179.8 | -180 | 0 | 0 | 0 | 0 | 110.4 | P695 V720 D721 I722 Y773 I778 | P695-V698 PolarHBondContact O-N 3.24Å; V698-V720 HydrophobicContact CG1-CG1 3.47Å; V698-V720 VanDerWaalsContact CG1-CG1 3.47Å; V698-D721 WeakPolarHBondContact CA-O 3.33Å; V698-I722 HydrophobicContact CG1-CG2 3.81Å; V698-I722 HydrophobicContact CG2-CB 4.49Å; V698-I722 HydrophobicContact CG2-CG2 4.11Å; V698-Y773 HydrophobicContact CG2-CD1 3.79Å; V698-Y773 HydrophobicContact CG2-CE1 4.4Å; V698-Y773 HydrophobicContact CG2-CG 3.87Å; V698-I778 HydrophobicContact CB-CB 4.25Å; V698-I778 HydrophobicContact CB-CG2 3.74Å; V698-I778 HydrophobicContact CG1-CB 4.39Å; V698-I778 HydrophobicContact CG1-CD1 4.19Å; V698-I778 HydrophobicContact CG1-CG2 3.73Å; V698-I778 HydrophobicContact CG2-CG2 4.47Å | ||
| 699 | K | 91.5 | Very high | 84 | Confident | 103 Ų | 103 | 70.6 Ų | 70.6 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 101.3 | -169.6 | -64.4 | 155.9 | -171.4 | 170.1 | 0 | 111.9 | H701 D721 D724 | K699-H701 PolarHBondContact O-ND1 2.68Å; K699-D721 HydrophobicContact CB-CB 4.37Å; K699-D721 PolarHBondContact N-O 2.71Å; K699-D721 PolarHBondContact O-N 3.4Å; K699-D724 IonicContact NZ-OD2 3.89Å; K699-D724 PolarHBondContact NZ-OD2 2.87Å |
| 700 | A | 93.3 | Very high | 84 | Confident | 3 Ų | 3 | 66.7 Ų | 66.7 | 3% | 0.025 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 134.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I705 F718 T719 V720 I778 R780 F783 | A700-I705 VanDerWaalsContact C-CD1 3.44Å; A700-I705 HydrophobicContact CB-CD1 3.54Å; A700-F718 HydrophobicContact CB-CD2 4.46Å; A700-T719 CarbonylContact C-O 3.53Å; A700-T719 VanDerWaalsContact CA-O 3.3Å; A700-T719 WeakPolarHBondContact CA-O 3.41Å; A700-V720 HydrophobicContact CB-CG2 4.08Å; A700-I778 HydrophobicContact CB-CD1 3.56Å; A700-R780 PolarHBondContact O-NH2 2.88Å; A700-F783 HydrophobicContact CB-CE2 4.16Å; A700-F783 HydrophobicContact CB-CZ 3.9Å |
| 701 | H | 92.6 | Very high | 83.9 | Confident | 98 Ų | 98 | 61.8 Ų | 61.8 | 45% | 0.454 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 140.9 | -179.5 | 58.7 | -71.9 | 0 | 0 | 0 | 112.4 | K699 T719 | K699-H701 PolarHBondContact O-ND1 2.68Å; H701-T719 PolarHBondContact N-O 3.16Å; H701-T719 PolarHBondContact ND1-O 3.17Å; H701-T719 PolarHBondContact O-N 3.42Å |
| 702 | G | 90.2 | Very high | 84.5 | Confident | 26 Ų | 26 | 59.3 Ų | 59.3 | 27% | 0.268 | 33% | 0.328 | S | S | . | . | S | Bend | trans | 141.2 | 168.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | G704 I705 E717 | G702-G704 VanDerWaalsContact C-N 3.28Å; G702-G704 PolarHBondContact O-N 2.99Å; G702-I705 WeakPolarHBondContact O-CG1 2.95Å; G702-I705 PolarHBondContact O-N 3.19Å; G702-E717 CarbonylContact C-O 3.52Å |
| 703 | P | 82.2 | Confident | 85 | Confident | 80 Ų | 80 | 54.7 Ų | 54.7 | 52% | 0.519 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -54.7 | -39.5 | -175.1 | 17.9 | -29.7 | 0 | 0 | 0 | 113.7 | I705 M706 N710 E717 | P703-I705 PolarHBondContact O-N 3.14Å; P703-M706 WeakPolarHBondContact O-CB 3.3Å; P703-M706 PolarHBondContact O-N 2.89Å; P703-N710 PolarHBondContact O-ND2 3.44Å; P703-N710 PolarHBondContact O-OD1 3.21Å; P703-E717 WeakPolarHBondContact CD-O 3.4Å; P703-E717 VanDerWaalsContact CG-O 3.29Å; P703-E717 WeakPolarHBondContact CG-O 3.49Å |
| 704 | G | 89.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -67.3 | 3.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | G702 T716 E717 Y759 | G702-G704 VanDerWaalsContact C-N 3.28Å; G702-G704 PolarHBondContact O-N 2.99Å; G704-T716 WeakPolarHBondContact CA-OG1 3.45Å; G704-T716 PolarHBondContact N-OG1 2.88Å; G704-T716 VanDerWaalsContact N-OG1 3.14Å; G704-E717 PolarHBondContact N-O 2.86Å; G704-Y759 VanDerWaalsContact O-CE1 3.31Å; G704-Y759 WeakPolarHBondContact O-CE1 3.41Å; G704-Y759 PolarHBondContact O-OH 2.8Å |
| 705 | I | 93.5 | Very high | 85.3 | Confident | 13 Ų | 13 | 60.8 Ų | 60.8 | 7% | 0.067 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -135 | 14 | 169.5 | 59.9 | 173.1 | 0 | 0 | 0 | 112.7 | A700 G702 P703 F718 V769 F783 | A700-I705 VanDerWaalsContact C-CD1 3.44Å; A700-I705 HydrophobicContact CB-CD1 3.54Å; G702-I705 WeakPolarHBondContact O-CG1 2.95Å; G702-I705 PolarHBondContact O-N 3.19Å; P703-I705 PolarHBondContact O-N 3.14Å; I705-F718 HydrophobicContact CD1-CB 4.35Å; I705-F718 HydrophobicContact CD1-CD2 4.28Å; I705-F718 HydrophobicContact CD1-CG 4.49Å; I705-F718 HydrophobicContact CG1-CB 4.04Å; I705-F718 HydrophobicContact CG1-CG 4.36Å; I705-F718 HydrophobicContact CG2-CB 4.31Å; I705-F718 HydrophobicContact CG2-CD1 3.75Å; I705-F718 HydrophobicContact CG2-CD2 3.94Å; I705-F718 HydrophobicContact CG2-CE1 3.9Å; I705-F718 HydrophobicContact CG2-CE2 4.1Å; I705-F718 HydrophobicContact CG2-CG 3.75Å; I705-F718 HydrophobicContact CG2-CZ 4.06Å; I705-V769 HydrophobicContact CG2-CB 4.27Å; I705-V769 HydrophobicContact CG2-CG1 4.1Å; I705-F783 HydrophobicContact CB-CB 4.02Å; I705-F783 HydrophobicContact CB-CD1 3.92Å; I705-F783 HydrophobicContact CB-CD2 4.47Å; I705-F783 HydrophobicContact CB-CG 3.89Å; I705-F783 HydrophobicContact CD1-CD1 4.06Å; I705-F783 HydrophobicContact CD1-CE1 3.84Å; I705-F783 HydrophobicContact CD1-CE2 4.48Å; I705-F783 HydrophobicContact CD1-CG 4.48Å; I705-F783 HydrophobicContact CD1-CZ 4.09Å; I705-F783 HydrophobicContact CG1-CD1 4.42Å; I705-F783 HydrophobicContact CG2-CB 4.11Å; I705-F783 HydrophobicContact CG2-CD1 4.48Å; I705-F783 HydrophobicContact CG2-CD2 4.16Å; I705-F783 HydrophobicContact CG2-CG 4Å |
| 706 | M | 86.4 | Confident | 85.5 | Confident | 109 Ų | 109 | 61 Ų | 61 | 54% | 0.537 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -74 | 140.1 | 170.4 | -67.4 | -88.2 | -83.5 | 0 | 0 | 109 | P703 T708 N710 | P703-M706 WeakPolarHBondContact O-CB 3.3Å; P703-M706 PolarHBondContact O-N 2.89Å; M706-T708 WeakPolarHBondContact CB-O 3.37Å; M706-T708 PolarHBondContact O-N 3.07Å; M706-T708 VanDerWaalsContact O-N 3.12Å; M706-N710 PolarHBondContact O-ND2 3.28Å |
| 707 | P | 81.7 | Confident | 85.9 | Confident | 85 Ų | 85 | 60.3 Ų | 60.3 | 55% | 0.552 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -58.6 | -27.6 | -178.5 | -26.8 | 35.4 | 0 | 0 | 0 | 114.3 | E786 | P707-E786 WeakPolarHBondContact O-CB 3.24Å; P707-E786 PolarHBondContact O-N 3.03Å |
| 708 | T | 77.5 | Confident | 86.2 | Confident | 95 Ų | 95 | 53.8 Ų | 53.8 | 58% | 0.583 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -139.6 | 169 | -180 | 57.6 | 0 | 0 | 0 | 0 | 110.7 | M706 | M706-T708 WeakPolarHBondContact CB-O 3.37Å; M706-T708 PolarHBondContact O-N 3.07Å; M706-T708 VanDerWaalsContact O-N 3.12Å |
| 709 | G | 74.7 | Confident | 86.4 | Confident | 71 Ų | 71 | 55.3 Ų | 55.3 | 73% | 0.732 | 34% | 0.336 | S | S | * | . | trans | 94.8 | -5.6 | 176 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 710 | N | 81.4 | Confident | 86.6 | Confident | 5 Ų | 5 | 50.4 Ų | 50.4 | 3% | 0.027 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 141 | 170.6 | -69.3 | -76.3 | 0 | 0 | 0 | 110.3 | P703 M706 T716 V785 V787 A788 | P703-N710 PolarHBondContact O-ND2 3.44Å; P703-N710 PolarHBondContact O-OD1 3.21Å; M706-N710 PolarHBondContact O-ND2 3.28Å; N710-T716 WeakPolarHBondContact OD1-CB 3.46Å; N710-T716 WeakPolarHBondContact OD1-CG2 3.38Å; N710-T716 PolarHBondContact OD1-OG1 2.95Å; N710-V785 HydrophobicContact CB-CG1 3.9Å; N710-V785 VanDerWaalsContact ND2-CG1 3.25Å; N710-V785 WeakPolarHBondContact ND2-CG1 3.31Å; N710-V787 CarbonylContact O-C 3.37Å; N710-V787 WeakPolarHBondContact O-CA 3.4Å; N710-A788 WeakPolarHBondContact O-CB 3.32Å; N710-A788 PolarHBondContact O-N 2.85Å |
| 711 | V | 78.4 | Confident | 86.6 | Confident | 35 Ų | 35 | 51 Ų | 51 | 21% | 0.212 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 135.9 | -174.3 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | G713 Q714 A788 P790 | V711-G713 PolarHBondContact O-N 2.66Å; V711-Q714 HydrophobicContact CB-CG 4.4Å; V711-Q714 PolarHBondContact O-N 3.45Å; V711-Q714 VanDerWaalsContact O-N 3.14Å; V711-A788 HydrophobicContact CG2-CB 4.38Å; V711-P790 HydrophobicContact CG1-CB 3.87Å |
| 712 | A | 80.5 | Confident | 86.7 | Confident | 17 Ų | 17 | 47.3 Ų | 47.3 | 14% | 0.14 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 127.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | P764 V787 A788 | A712-P764 HydrophobicContact CB-CB 4.02Å; A712-V787 HydrophobicContact CB-CG1 3.86Å; A712-V787 VanDerWaalsContact N-CG1 3.31Å; A712-A788 PolarHBondContact N-O 3.17Å |
| 713 | G | 80.2 | Confident | 86.6 | Confident | 52 Ų | 52 | 52.6 Ų | 52.6 | 54% | 0.536 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | -11.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | V711 P761 | V711-G713 PolarHBondContact O-N 2.66Å; G713-P761 PolarHBondContact N-O 3.18Å |
| 714 | Q | 81.5 | Confident | 86.8 | Confident | 121 Ų | 121 | 52.6 Ų | 52.6 | 57% | 0.565 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -87.8 | 139.4 | 172.2 | -65.3 | -166.3 | 0.1 | 0 | 0 | 111.1 | V711 | V711-Q714 HydrophobicContact CB-CG 4.4Å; V711-Q714 PolarHBondContact O-N 3.45Å; V711-Q714 VanDerWaalsContact O-N 3.14Å |
| 715 | P | 85.7 | Confident | 86.4 | Confident | 93 Ų | 93 | 52.8 Ų | 52.8 | 60% | 0.604 | 31% | 0.31 | S | S | * | . | trans | -68 | 138.6 | 167.7 | 30.6 | -33.4 | 0 | 0 | 0 | 109.7 | Y759 | P715-Y759 WeakPolarHBondContact CA-O 3.38Š| ||
| 716 | T | 89.4 | Confident | 85.5 | Confident | 12 Ų | 12 | 55.8 Ų | 55.8 | 7% | 0.074 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 150.1 | 178.3 | -169.2 | 0 | 0 | 0 | 0 | 110.9 | G704 N710 S758 Y759 | G704-T716 WeakPolarHBondContact CA-OG1 3.45Å; G704-T716 PolarHBondContact N-OG1 2.88Å; G704-T716 VanDerWaalsContact N-OG1 3.14Å; N710-T716 WeakPolarHBondContact OD1-CB 3.46Å; N710-T716 WeakPolarHBondContact OD1-CG2 3.38Å; N710-T716 PolarHBondContact OD1-OG1 2.95Å; T716-S758 VanDerWaalsContact O-CA 3.28Å; T716-S758 WeakPolarHBondContact O-CA 3.22Å; T716-Y759 HydrophobicContact CG2-CD1 4.15Å; T716-Y759 HydrophobicContact CG2-CE1 3.82Å; T716-Y759 HydrophobicContact CG2-CE2 4.2Å; T716-Y759 HydrophobicContact CG2-CG 4.48Å; T716-Y759 PolarHBondContact N-O 3.22Å; T716-Y759 PolarHBondContact O-N 3.04Å |
| 717 | E | 92.8 | Very high | 84.9 | Confident | 105 Ų | 105 | 51.4 Ų | 51.4 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 147.3 | -164.2 | -59.2 | -171.7 | -155.9 | 0 | 0 | 111.9 | G702 P703 G704 C757 | G702-E717 CarbonylContact C-O 3.52Å; P703-E717 WeakPolarHBondContact CD-O 3.4Å; P703-E717 VanDerWaalsContact CG-O 3.29Å; P703-E717 WeakPolarHBondContact CG-O 3.49Å; G704-E717 PolarHBondContact N-O 2.86Å; E717-C757 CarbonylContact C-O 3.33Å; E717-C757 VanDerWaalsContact CA-O 3.31Å; E717-C757 WeakPolarHBondContact CA-O 3.35Å |
| 718 | F | 96.9 | Very high | 84.7 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.009 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 156.9 | 169.1 | 65.9 | -86.8 | 0 | 0 | 0 | 110.7 | A700 I705 V720 V733 L745 C757 Y759 V769 V771 | A700-F718 HydrophobicContact CB-CD2 4.46Å; I705-F718 HydrophobicContact CD1-CB 4.35Å; I705-F718 HydrophobicContact CD1-CD2 4.28Å; I705-F718 HydrophobicContact CD1-CG 4.49Å; I705-F718 HydrophobicContact CG1-CB 4.04Å; I705-F718 HydrophobicContact CG1-CG 4.36Å; I705-F718 HydrophobicContact CG2-CB 4.31Å; I705-F718 HydrophobicContact CG2-CD1 3.75Å; I705-F718 HydrophobicContact CG2-CD2 3.94Å; I705-F718 HydrophobicContact CG2-CE1 3.9Å; I705-F718 HydrophobicContact CG2-CE2 4.1Å; I705-F718 HydrophobicContact CG2-CG 3.75Å; I705-F718 HydrophobicContact CG2-CZ 4.06Å; F718-V720 HydrophobicContact CD2-CG2 4.04Å; F718-V720 HydrophobicContact CE2-CG2 3.78Å; F718-V733 HydrophobicContact CE2-CG1 4.47Å; F718-V733 HydrophobicContact CZ-CG1 3.82Å; F718-L745 HydrophobicContact CE1-CD1 4.22Å; F718-L745 HydrophobicContact CZ-CD1 4.37Å; F718-C757 HydrophobicContact CD1-CB 3.93Å; F718-C757 HydrophobicContact CD2-CB 3.92Å; F718-C757 HydrophobicContact CE1-CB 3.59Å; F718-C757 HydrophobicContact CE2-CB 3.57Å; F718-C757 HydrophobicContact CG-CB 4.1Å; F718-C757 HydrophobicContact CZ-CB 3.41Å; F718-C757 VanDerWaalsContact CZ-CB 3.41Å; F718-C757 PolarHBondContact N-O 2.9Å; F718-C757 PolarHBondContact O-N 3.32Å; F718-Y759 HydrophobicContact CE1-CD1 4.37Å; F718-Y759 HydrophobicContact CE1-CE1 4.31Å; F718-V769 HydrophobicContact CE1-CG1 3.98Å; F718-V769 HydrophobicContact CZ-CG1 3.69Å; F718-V771 HydrophobicContact CE2-CG2 3.95Å; F718-V771 HydrophobicContact CZ-CG2 4.28Å |
| 719 | T | 94.7 | Very high | 85 | Confident | 36 Ų | 36 | 50.4 Ų | 50.4 | 22% | 0.221 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 135.4 | 179.3 | -57.3 | 0 | 0 | 0 | 0 | 110.2 | A700 H701 T754 Y755 | A700-T719 CarbonylContact C-O 3.53Å; A700-T719 VanDerWaalsContact CA-O 3.3Å; A700-T719 WeakPolarHBondContact CA-O 3.41Å; H701-T719 PolarHBondContact N-O 3.16Å; H701-T719 PolarHBondContact ND1-O 3.17Å; H701-T719 PolarHBondContact O-N 3.42Å; T719-T754 HydrophobicContact CG2-CG2 4.42Å; T719-Y755 CarbonylContact C-O 3.57Å; T719-Y755 VanDerWaalsContact CA-O 3.29Å; T719-Y755 WeakPolarHBondContact CA-O 3.43Å |
| 720 | V | 96 | Very high | 85.6 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 114.9 | 171.8 | -171.9 | 0 | 0 | 0 | 0 | 108.6 | V698 A700 F718 I722 L731 T754 Y755 V771 | V698-V720 HydrophobicContact CG1-CG1 3.47Å; V698-V720 VanDerWaalsContact CG1-CG1 3.47Å; A700-V720 HydrophobicContact CB-CG2 4.08Å; F718-V720 HydrophobicContact CD2-CG2 4.04Å; F718-V720 HydrophobicContact CE2-CG2 3.78Å; V720-I722 HydrophobicContact CG1-CG2 4.37Å; V720-L731 HydrophobicContact CB-CD2 4.37Å; V720-L731 HydrophobicContact CG1-CD1 4.02Å; V720-L731 HydrophobicContact CG1-CD2 4.4Å; V720-T754 CarbonylContact O-C 3.46Å; V720-T754 WeakPolarHBondContact O-CA 3.23Å; V720-Y755 PolarHBondContact N-O 2.98Å; V720-Y755 PolarHBondContact O-N 3.4Å; V720-V771 HydrophobicContact CG1-CG1 4.21Å; V720-V771 HydrophobicContact CG2-CG1 4.14Å |
| 721 | D | 93.2 | Very high | 86 | Confident | 17 Ų | 17 | 53.1 Ų | 53.1 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 120.1 | 176.7 | -176.7 | -3.5 | 0 | 0 | 0 | 110.1 | V698 K699 R723 T754 | V698-D721 WeakPolarHBondContact CA-O 3.33Å; K699-D721 HydrophobicContact CB-CB 4.37Å; K699-D721 PolarHBondContact N-O 2.71Å; K699-D721 PolarHBondContact O-N 3.4Å; D721-R723 VanDerWaalsContact OD1-CB 3.3Å; D721-R723 WeakPolarHBondContact OD1-CB 3.41Å; D721-R723 VanDerWaalsContact OD1-CG 3.3Å; D721-R723 WeakPolarHBondContact OD1-CG 3.18Å; D721-R723 IonicContact OD1-CZ 2.67Å; D721-R723 PolarHBondContact OD1-N 3.37Å; D721-R723 IonicContact OD1-NE 3.09Å; D721-R723 PolarHBondContact OD1-NE 3.45Å; D721-R723 IonicContact OD1-NH2 3.55Å; D721-R723 IonicContact OD2-CZ 3.57Å; D721-R723 IonicContact OD2-NE 2.69Å; D721-R723 PolarHBondContact OD2-NE 3Å; D721-R723 IonicContact OD2-NH2 3.47Å; D721-R723 PolarHBondContact OD2-NH2 2.78Å; D721-T754 HydrophobicContact CB-CG2 4.23Å |
| 722 | I | 93.2 | Very high | 86.5 | Confident | 20 Ų | 20 | 55.3 Ų | 55.3 | 10% | 0.103 | 34% | 0.341 | C | S | . | . | trans | -108.4 | 4.5 | 178.6 | 64.6 | 153.6 | 0 | 0 | 0 | 112.9 | V698 V720 D724 S725 G753 Y755 Y773 | V698-I722 HydrophobicContact CG1-CG2 3.81Å; V698-I722 HydrophobicContact CG2-CB 4.49Å; V698-I722 HydrophobicContact CG2-CG2 4.11Å; V720-I722 HydrophobicContact CG1-CG2 4.37Å; I722-D724 VanDerWaalsContact C-N 3.25Å; I722-D724 PolarHBondContact O-N 2.82Å; I722-S725 WeakPolarHBondContact O-CB 3Å; I722-S725 PolarHBondContact O-N 3.03Å; I722-S725 PolarHBondContact O-OG 3.39Å; I722-G753 WeakPolarHBondContact CG1-O 3.46Å; I722-G753 PolarHBondContact N-O 3.25Å; I722-Y755 HydrophobicContact CD1-CE2 3.79Å; I722-Y755 HydrophobicContact CG1-CD2 4.46Å; I722-Y755 HydrophobicContact CG1-CE2 3.99Å; I722-Y773 HydrophobicContact CB-CE2 4.28Å; I722-Y773 HydrophobicContact CD1-CE2 4.08Å; I722-Y773 VanDerWaalsContact CD1-OH 3.31Å; I722-Y773 WeakPolarHBondContact CD1-OH 3.49Å; I722-Y773 HydrophobicContact CG2-CD2 4.01Å; I722-Y773 HydrophobicContact CG2-CE2 3.7Å | ||
| 723 | R | 88.7 | Confident | 87.1 | Confident | 137 Ų | 137 | 55.6 Ų | 55.6 | 52% | 0.517 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -31.8 | -170.1 | -68.4 | 173.4 | -69 | -160.2 | 9.4 | 113.7 | D721 D752 | D721-R723 VanDerWaalsContact OD1-CB 3.3Å; D721-R723 WeakPolarHBondContact OD1-CB 3.41Å; D721-R723 VanDerWaalsContact OD1-CG 3.3Å; D721-R723 WeakPolarHBondContact OD1-CG 3.18Å; D721-R723 IonicContact OD1-CZ 2.67Å; D721-R723 PolarHBondContact OD1-N 3.37Å; D721-R723 IonicContact OD1-NE 3.09Å; D721-R723 PolarHBondContact OD1-NE 3.45Å; D721-R723 IonicContact OD1-NH2 3.55Å; D721-R723 IonicContact OD2-CZ 3.57Å; D721-R723 IonicContact OD2-NE 2.69Å; D721-R723 PolarHBondContact OD2-NE 3Å; D721-R723 IonicContact OD2-NH2 3.47Å; D721-R723 PolarHBondContact OD2-NH2 2.78Å; R723-D752 VanDerWaalsContact CD-O 3.28Å; R723-D752 WeakPolarHBondContact CD-O 3.19Å; R723-D752 WeakPolarHBondContact CG-O 3.35Å; R723-D752 IonicContact CZ-OD2 3.17Å; R723-D752 IonicContact NH1-OD2 2.93Å; R723-D752 PolarHBondContact NH1-OD2 2.94Å |
| 724 | D | 86 | Confident | 87.6 | Confident | 79 Ų | 79 | 56.3 Ų | 56.3 | 42% | 0.422 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -6 | 177.7 | -69.8 | -41.6 | 0 | 0 | 0 | 114.3 | R697 K699 I722 G726 | R697-D724 HydrophobicContact CB-CB 3.89Å; R697-D724 WeakPolarHBondContact CD-O 2.85Å; K699-D724 IonicContact NZ-OD2 3.89Å; K699-D724 PolarHBondContact NZ-OD2 2.87Å; I722-D724 VanDerWaalsContact C-N 3.25Å; I722-D724 PolarHBondContact O-N 2.82Å; D724-G726 PolarHBondContact O-N 2.95Å |
| 725 | S | 82.3 | Confident | 88.1 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 4% | 0.035 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -68.9 | -2.7 | -169.5 | 67 | 0 | 0 | 0 | 0 | 116.1 | C693 D694 I722 G727 | C693-S725 CarbonylContact C-O 3.56Å; C693-S725 WeakPolarHBondContact CA-O 3.31Å; D694-S725 PolarHBondContact N-O 2.83Å; I722-S725 WeakPolarHBondContact O-CB 3Å; I722-S725 PolarHBondContact O-N 3.03Å; I722-S725 PolarHBondContact O-OG 3.39Å; S725-G727 PolarHBondContact O-N 3.49Å; S725-G727 VanDerWaalsContact O-N 3.07Å |
| 726 | G | 75.3 | Confident | 88.2 | Confident | 76 Ų | 76 | 48.4 Ų | 48.4 | 78% | 0.784 | 28% | 0.283 | S | S | * | . | S | Bend | trans | 78.1 | -21.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | D724 | D724-G726 PolarHBondContact O-N 2.95Š|
| 727 | G | 72.9 | Confident | 88 | Confident | 17 Ų | 17 | 49.2 Ų | 49.2 | 18% | 0.175 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -177.7 | 157.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K692 C693 S725 A729 Y773 | K692-G727 VanDerWaalsContact O-CA 3.32Å; K692-G727 WeakPolarHBondContact O-CA 3.36Å; K692-G727 PolarHBondContact O-N 3.04Å; C693-G727 WeakPolarHBondContact CB-O 3.23Å; S725-G727 PolarHBondContact O-N 3.49Å; S725-G727 VanDerWaalsContact O-N 3.07Å; G727-A729 PolarHBondContact O-N 3.46Å; G727-Y773 PolarHBondContact O-OH 3.17Å |
| 728 | P | 77.2 | Confident | 87.4 | Confident | 133 Ų | 133 | 45.3 Ų | 45.3 | 86% | 0.864 | 27% | 0.269 | S | S | * | . | trans | -73.4 | 122.5 | -172 | 29.1 | -34.9 | 0 | 0 | 0 | 112.7 | ||||
| 729 | A | 84.1 | Confident | 86.4 | Confident | 26 Ų | 26 | 50.2 Ų | 50.2 | 22% | 0.215 | 29% | 0.293 | C | S | . | . | trans | -131.8 | 166.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111 | C693 G727 L731 Y773 | C693-A729 HydrophobicContact CB-CB 4.08Å; G727-A729 PolarHBondContact O-N 3.46Å; A729-L731 PolarHBondContact O-N 2.99Å; A729-Y773 HydrophobicContact CB-CD1 4.15Å; A729-Y773 HydrophobicContact CB-CE1 3.77Å; A729-Y773 PolarHBondContact N-OH 3.36Å; A729-Y773 WeakPolarHBondContact O-CE2 3.44Å; A729-Y773 PolarHBondContact O-OH 2.78Å | ||
| 730 | P | 86.4 | Confident | 85.3 | Confident | 95 Ų | 95 | 48.6 Ų | 48.6 | 62% | 0.617 | 28% | 0.283 | S | S | * | . | trans | -65.1 | 127.4 | 177.7 | -21.5 | 33.9 | 0 | 0 | 0 | 112.2 | Y773 G774 | P730-Y773 WeakPolarHBondContact O-CA 3.42Å; P730-G774 PolarHBondContact O-N 2.86Å | ||
| 731 | L | 90.2 | Very high | 84.5 | Confident | 38 Ų | 38 | 53.9 Ų | 53.9 | 20% | 0.199 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 126.7 | 166 | 177.3 | 66.2 | 0 | 0 | 0 | 109.2 | V720 A729 V733 Y755 V771 Y773 | V720-L731 HydrophobicContact CB-CD2 4.37Å; V720-L731 HydrophobicContact CG1-CD1 4.02Å; V720-L731 HydrophobicContact CG1-CD2 4.4Å; A729-L731 PolarHBondContact O-N 2.99Å; L731-V733 HydrophobicContact CD1-CG2 4.22Å; L731-V733 HydrophobicContact CD2-CG2 4.36Å; L731-V733 HydrophobicContact CG-CG2 4.08Å; L731-Y755 HydrophobicContact CD2-CD1 3.98Å; L731-Y755 HydrophobicContact CD2-CD2 3.51Å; L731-Y755 HydrophobicContact CD2-CE2 4.15Å; L731-Y755 HydrophobicContact CD2-CG 3.44Å; L731-Y755 VanDerWaalsContact CD2-CG 3.44Å; L731-V771 HydrophobicContact CD1-CG1 3.93Å; L731-Y773 HydrophobicContact CB-CD2 3.95Å; L731-Y773 HydrophobicContact CB-CE2 4.15Å; L731-Y773 HydrophobicContact CD1-CD2 4.13Å |
| 732 | T | 90.2 | Very high | 84 | Confident | 80 Ų | 80 | 56.9 Ų | 56.9 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 132.2 | 173.4 | -45.6 | 0 | 0 | 0 | 0 | 109.2 | S772 | T732-S772 PolarHBondContact N-O 2.78Å; T732-S772 PolarHBondContact O-N 2.87Å |
| 733 | V | 92.4 | Very high | 83.8 | Confident | 24 Ų | 24 | 57 Ų | 57 | 15% | 0.145 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 122.3 | 179.7 | -176 | 0 | 0 | 0 | 0 | 108.6 | F718 L731 L745 V747 L770 V771 | F718-V733 HydrophobicContact CE2-CG1 4.47Å; F718-V733 HydrophobicContact CZ-CG1 3.82Å; L731-V733 HydrophobicContact CD1-CG2 4.22Å; L731-V733 HydrophobicContact CD2-CG2 4.36Å; L731-V733 HydrophobicContact CG-CG2 4.08Å; V733-L745 HydrophobicContact CB-CD2 4.11Å; V733-L745 HydrophobicContact CG1-CD1 3.72Å; V733-L745 HydrophobicContact CG1-CD2 3.64Å; V733-L745 HydrophobicContact CG1-CG 4.36Å; V733-V747 HydrophobicContact CB-CG2 4.02Å; V733-V747 HydrophobicContact CG2-CG2 4.23Å; V733-L770 WeakPolarHBondContact CA-O 3.25Å; V733-V771 HydrophobicContact CG1-CG2 4.27Å; V733-V771 HydrophobicContact CG2-CG1 4.3Å; V733-V771 HydrophobicContact CG2-CG2 4.42Å |
| 734 | E | 90.6 | Very high | 83.8 | Confident | 66 Ų | 66 | 55 Ų | 55 | 31% | 0.308 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 144.5 | 176 | -163.1 | -178.5 | -133.8 | 0 | 0 | 109.3 | R736 V769 L770 | E734-R736 VanDerWaalsContact CD-NE 3.35Å; E734-R736 VanDerWaalsContact CD-NH2 3.25Å; E734-R736 IonicContact OE1-CZ 2.74Å; E734-R736 IonicContact OE1-NE 3.5Å; E734-R736 IonicContact OE1-NH2 3.62Å; E734-R736 PolarHBondContact OE1-NH2 2.87Å; E734-R736 IonicContact OE2-CZ 3.16Å; E734-R736 IonicContact OE2-NE 2.69Å; E734-R736 PolarHBondContact OE2-NE 2.93Å; E734-R736 IonicContact OE2-NH2 3.71Å; E734-R736 PolarHBondContact OE2-NH2 3.17Å; E734-R736 VanDerWaalsContact OE2-NH2 3.09Å; E734-V769 CarbonylContact O-C 3.53Å; E734-V769 WeakPolarHBondContact O-CA 3.39Å; E734-L770 PolarHBondContact N-O 3.47Å; E734-L770 PolarHBondContact O-N 2.72Å |
| 735 | C | 91.5 | Very high | 84 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.007 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 138.6 | 171.2 | -179.3 | 0 | 0 | 0 | 0 | 108.1 | V743 L745 Y759 V769 | C735-V743 HydrophobicContact CB-CB 4.15Å; C735-V743 PolarHBondContact O-N 2.9Å; C735-L745 HydrophobicContact CB-CB 4.48Å; C735-L745 HydrophobicContact CB-CD1 3.82Å; C735-Y759 VanDerWaalsContact SG-CE2 3.58Å; C735-V769 HydrophobicContact CB-CG2 4.3Å |
| 736 | R | 88.9 | Confident | 84.5 | Confident | 47 Ų | 47 | 60.4 Ų | 60.4 | 18% | 0.177 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 149 | 176 | -68.2 | 177.3 | -178.2 | -101.6 | -5.4 | 110.5 | F606 E734 G740 E741 H767 T768 | F606-R736 VanDerWaalsContact CD2-CD 3.46Å; F606-R736 VanDerWaalsContact CG-CD 3.49Å; E734-R736 VanDerWaalsContact CD-NE 3.35Å; E734-R736 VanDerWaalsContact CD-NH2 3.25Å; E734-R736 IonicContact OE1-CZ 2.74Å; E734-R736 IonicContact OE1-NE 3.5Å; E734-R736 IonicContact OE1-NH2 3.62Å; E734-R736 PolarHBondContact OE1-NH2 2.87Å; E734-R736 IonicContact OE2-CZ 3.16Å; E734-R736 IonicContact OE2-NE 2.69Å; E734-R736 PolarHBondContact OE2-NE 2.93Å; E734-R736 IonicContact OE2-NH2 3.71Å; E734-R736 PolarHBondContact OE2-NH2 3.17Å; E734-R736 VanDerWaalsContact OE2-NH2 3.09Å; R736-G740 PolarHBondContact NH1-O 3.45Å; R736-E741 VanDerWaalsContact CA-O 3.23Å; R736-E741 WeakPolarHBondContact CA-O 3.46Å; R736-H767 CarbonylContact O-C 3.54Å; R736-H767 WeakPolarHBondContact O-CA 3.44Å; R736-H767 WeakPolarHBondContact O-CB 3.39Å; R736-T768 PolarHBondContact N-O 3.18Å; R736-T768 PolarHBondContact O-N 3.26Å |
| 737 | D | 85.7 | Confident | 85.3 | Confident | 30 Ų | 30 | 60.1 Ų | 60.1 | 16% | 0.16 | 35% | 0.346 | C | S | . | . | trans | -84.7 | -178.3 | 171.8 | 61.8 | 32.2 | 0 | 0 | 0 | 111.5 | E739 G740 E741 V743 V763 | D737-E739 PolarHBondContact O-N 3.42Å; D737-E739 VanDerWaalsContact O-N 3.07Å; D737-E739 PolarHBondContact OD1-N 2.75Å; D737-G740 PolarHBondContact O-N 2.92Å; D737-G740 VanDerWaalsContact O-N 3.13Å; D737-G740 PolarHBondContact OD1-N 3.1Å; D737-E741 PolarHBondContact N-O 2.98Å; D737-E741 VanDerWaalsContact N-O 3.13Å; D737-E741 PolarHBondContact OD1-N 2.83Å; D737-V743 HydrophobicContact CB-CG2 3.88Å; D737-V763 HydrophobicContact CB-CG2 4.41Å | ||
| 738 | N | 78.4 | Confident | 86.2 | Confident | 22 Ų | 22 | 67.8 Ų | 67.8 | 12% | 0.118 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | 1.6 | -179.4 | 71.9 | -90.5 | 0 | 0 | 0 | 115.2 | N626 K765 K766 | N626-N738 PolarHBondContact OD1-O 2.84Å; N738-K765 HydrophobicContact CB-CB 3.91Å; N738-K765 HydrophobicContact CB-CD 4.14Å; N738-K765 VanDerWaalsContact ND2-CD 3.32Å; N738-K765 WeakPolarHBondContact ND2-CD 3.39Å; N738-K765 PolarHBondContact ND2-NZ 2.89Å; N738-K765 VanDerWaalsContact ND2-NZ 3.12Å; N738-K765 WeakPolarHBondContact OD1-CB 3.25Å; N738-K765 WeakPolarHBondContact OD1-CD 3.42Å; N738-K766 HydrophobicContact CB-CG 4.07Å; N738-K766 WeakPolarHBondContact CB-O 3.32Å; N738-K766 PolarHBondContact N-O 3.36Å; N738-K766 VanDerWaalsContact N-O 3.16Å |
| 739 | E | 76 | Confident | 86.9 | Confident | 106 Ų | 106 | 65.6 Ų | 65.6 | 50% | 0.495 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 1 | 178.4 | -49.9 | -168.3 | 175.6 | 0 | 0 | 110.1 | D737 E741 K765 | D737-E739 PolarHBondContact O-N 3.42Å; D737-E739 VanDerWaalsContact O-N 3.07Å; D737-E739 PolarHBondContact OD1-N 2.75Å; E739-E741 VanDerWaalsContact C-N 3.34Å; E739-K765 IonicContact OE1-NZ 2.68Å; E739-K765 PolarHBondContact OE1-NZ 2.81Å |
| 740 | G | 72.5 | Confident | 87.2 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | S | Bend | trans | 82.1 | 6.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E624 R736 D737 | E624-G740 PolarHBondContact OE2-N 2.81Å; R736-G740 PolarHBondContact NH1-O 3.45Å; D737-G740 PolarHBondContact O-N 2.92Å; D737-G740 VanDerWaalsContact O-N 3.13Å; D737-G740 PolarHBondContact OD1-N 3.1Å |
| 741 | E | 79.7 | Confident | 87.1 | Confident | 110 Ų | 110 | 66 Ų | 66 | 51% | 0.514 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -85 | 146.7 | -175.8 | -73.9 | -63.1 | 147.6 | 0 | 0 | 112.3 | R736 D737 E739 V743 | R736-E741 VanDerWaalsContact CA-O 3.23Å; R736-E741 WeakPolarHBondContact CA-O 3.46Å; D737-E741 PolarHBondContact N-O 2.98Å; D737-E741 VanDerWaalsContact N-O 3.13Å; D737-E741 PolarHBondContact OD1-N 2.83Å; E739-E741 VanDerWaalsContact C-N 3.34Å; E741-V743 PolarHBondContact O-N 2.81Å |
| 742 | P | 83 | Confident | 87 | Confident | 80 Ų | 80 | 68 Ų | 68 | 52% | 0.519 | 37% | 0.371 | S | S | . | . | B | Isolated β-bridge | trans | -73 | 122 | -174.4 | -15.9 | 31.2 | 0 | 0 | 0 | 113.2 | ||
| 743 | V | 88.8 | Confident | 86.7 | Confident | 23 Ų | 23 | 65 Ų | 65 | 14% | 0.139 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -89 | 125.1 | 175.2 | 176.9 | 0 | 0 | 0 | 0 | 109.7 | C735 D737 E741 L745 Y759 | C735-V743 HydrophobicContact CB-CB 4.15Å; C735-V743 PolarHBondContact O-N 2.9Å; D737-V743 HydrophobicContact CB-CG2 3.88Å; E741-V743 PolarHBondContact O-N 2.81Å; V743-L745 PolarHBondContact O-N 2.92Å; V743-L745 VanDerWaalsContact O-N 3.09Å; V743-Y759 HydrophobicContact CG1-CD2 3.99Å |
| 744 | A | 88 | Confident | 86.7 | Confident | 95 Ų | 95 | 64.5 Ų | 64.5 | 79% | 0.785 | 35% | 0.354 | S | S | * | . | trans | -61.5 | 113.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 745 | L | 91 | Very high | 86.9 | Confident | 38 Ų | 38 | 63.6 Ų | 63.6 | 20% | 0.199 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 139.8 | -177.7 | -175.9 | 147.3 | 0 | 0 | 0 | 109.9 | F718 V733 C735 V743 V747 C757 Y759 | F718-L745 HydrophobicContact CE1-CD1 4.22Å; F718-L745 HydrophobicContact CZ-CD1 4.37Å; V733-L745 HydrophobicContact CB-CD2 4.11Å; V733-L745 HydrophobicContact CG1-CD1 3.72Å; V733-L745 HydrophobicContact CG1-CD2 3.64Å; V733-L745 HydrophobicContact CG1-CG 4.36Å; C735-L745 HydrophobicContact CB-CB 4.48Å; C735-L745 HydrophobicContact CB-CD1 3.82Å; V743-L745 PolarHBondContact O-N 2.92Å; V743-L745 VanDerWaalsContact O-N 3.09Å; L745-V747 HydrophobicContact CD2-CG2 3.51Å; L745-C757 HydrophobicContact CD2-CB 4.39Å; L745-Y759 HydrophobicContact CD1-CD1 4.02Å; L745-Y759 HydrophobicContact CD1-CG 4.45Å |
| 746 | K | 91.3 | Very high | 87.1 | Confident | 159 Ų | 159 | 65.2 Ų | 65.2 | 69% | 0.691 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 133.7 | 170.8 | -64.8 | 176.2 | 179.8 | 172.8 | 0 | 109.3 | C757 S758 | K746-C757 CarbonylContact O-C 3.38Å; K746-C757 VanDerWaalsContact O-CA 3.28Å; K746-C757 WeakPolarHBondContact O-CA 2.99Å; K746-S758 PolarHBondContact N-O 3.23Å; K746-S758 PolarHBondContact O-N 2.99Å |
| 747 | V | 93.8 | Very high | 87.4 | Confident | 71 Ų | 71 | 63 Ų | 63 | 43% | 0.43 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 133.9 | 166.4 | -174.4 | 0 | 0 | 0 | 0 | 108 | V733 L745 Y755 | V733-V747 HydrophobicContact CB-CG2 4.02Å; V733-V747 HydrophobicContact CG2-CG2 4.23Å; L745-V747 HydrophobicContact CD2-CG2 3.51Å; V747-Y755 HydrophobicContact CG1-CD1 3.92Å; V747-Y755 HydrophobicContact CG1-CG 4.44Å |
| 748 | R | 91.6 | Very high | 87.8 | Confident | 178 Ų | 178 | 63.1 Ų | 63.1 | 67% | 0.672 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 125.3 | 173 | 172 | 176.9 | 174.4 | 164.4 | -0.5 | 109 | Y755 T756 | R748-Y755 CarbonylContact O-C 3.6Å; R748-Y755 VanDerWaalsContact O-CA 3.22Å; R748-Y755 WeakPolarHBondContact O-CA 3.32Å; R748-T756 PolarHBondContact N-O 3.3Å; R748-T756 PolarHBondContact O-N 2.94Å |
| 749 | D | 90.8 | Very high | 88.5 | Confident | 86 Ų | 86 | 62.3 Ų | 62.3 | 46% | 0.46 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 131.4 | 165.1 | -161.2 | -41.4 | 0 | 0 | 0 | 109.2 | G751 Y755 | D749-G751 WeakPolarHBondContact OD1-CA 3.2Å; D749-G751 PolarHBondContact OD1-N 2.95Å; D749-Y755 HydrophobicContact CB-CD1 3.94Å; D749-Y755 HydrophobicContact CB-CE1 3.5Å; D749-Y755 VanDerWaalsContact CB-CE1 3.5Å; D749-Y755 WeakPolarHBondContact OD2-CE1 3.25Å; D749-Y755 PolarHBondContact OD2-OH 2.84Å |
| 750 | N | 91.1 | Very high | 89.2 | Confident | 61 Ų | 61 | 60.1 Ų | 60.1 | 33% | 0.326 | 34% | 0.342 | S | S | . | . | trans | -94.8 | -8.1 | 177.9 | -63.8 | -33.7 | 0 | 0 | 0 | 113 | D752 T754 T756 | N750-D752 VanDerWaalsContact C-N 3.27Å; N750-D752 PolarHBondContact O-N 2.81Å; N750-T754 WeakPolarHBondContact CB-O 3.39Å; N750-T754 PolarHBondContact N-O 2.76Å; N750-T754 PolarHBondContact ND2-OG1 2.9Å; N750-T756 PolarHBondContact ND2-OG1 3.01Å | ||
| 751 | G | 83.7 | Confident | 89.8 | Confident | 70 Ų | 70 | 60 Ų | 60 | 72% | 0.722 | 34% | 0.341 | S | S | * | . | S | Bend | trans | 80.4 | -4.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | D749 | D749-G751 WeakPolarHBondContact OD1-CA 3.2Å; D749-G751 PolarHBondContact OD1-N 2.95Å |
| 752 | D | 87.6 | Confident | 89.9 | Confident | 78 Ų | 78 | 63.4 Ų | 63.4 | 42% | 0.417 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -102.6 | -0.2 | 178.6 | 81.1 | -44.1 | 0 | 0 | 0 | 113.7 | R723 N750 T754 | R723-D752 VanDerWaalsContact CD-O 3.28Å; R723-D752 WeakPolarHBondContact CD-O 3.19Å; R723-D752 WeakPolarHBondContact CG-O 3.35Å; R723-D752 IonicContact CZ-OD2 3.17Å; R723-D752 IonicContact NH1-OD2 2.93Å; R723-D752 PolarHBondContact NH1-OD2 2.94Å; N750-D752 VanDerWaalsContact C-N 3.27Å; N750-D752 PolarHBondContact O-N 2.81Å; D752-T754 WeakPolarHBondContact OD1-CB 3.1Å; D752-T754 PolarHBondContact OD1-N 3.42Å; D752-T754 PolarHBondContact OD1-OG1 2.97Å |
| 753 | G | 85.4 | Confident | 89.6 | Confident | 19 Ų | 19 | 62 Ų | 62 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | S | Bend | trans | 93.7 | 11.8 | -169 | 0 | 0 | 0 | 0 | 0 | 114.3 | I722 | I722-G753 WeakPolarHBondContact CG1-O 3.46Å; I722-G753 PolarHBondContact N-O 3.25Å |
| 754 | T | 92 | Very high | 89.2 | Confident | 13 Ų | 13 | 63.3 Ų | 63.3 | 8% | 0.08 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 152.1 | 167 | 71.5 | 0 | 0 | 0 | 0 | 112.2 | T719 V720 D721 N750 D752 | T719-T754 HydrophobicContact CG2-CG2 4.42Å; V720-T754 CarbonylContact O-C 3.46Å; V720-T754 WeakPolarHBondContact O-CA 3.23Å; D721-T754 HydrophobicContact CB-CG2 4.23Å; N750-T754 WeakPolarHBondContact CB-O 3.39Å; N750-T754 PolarHBondContact N-O 2.76Å; N750-T754 PolarHBondContact ND2-OG1 2.9Å; D752-T754 WeakPolarHBondContact OD1-CB 3.1Å; D752-T754 PolarHBondContact OD1-N 3.42Å; D752-T754 PolarHBondContact OD1-OG1 2.97Å |
| 755 | Y | 94.8 | Very high | 88.9 | Confident | 46 Ų | 46 | 63.4 Ų | 63.4 | 18% | 0.18 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 124.1 | 175.7 | -67.6 | -92.7 | 0 | 0 | 0 | 110 | T719 V720 I722 L731 V747 R748 D749 | T719-Y755 CarbonylContact C-O 3.57Å; T719-Y755 VanDerWaalsContact CA-O 3.29Å; T719-Y755 WeakPolarHBondContact CA-O 3.43Å; V720-Y755 PolarHBondContact N-O 2.98Å; V720-Y755 PolarHBondContact O-N 3.4Å; I722-Y755 HydrophobicContact CD1-CE2 3.79Å; I722-Y755 HydrophobicContact CG1-CD2 4.46Å; I722-Y755 HydrophobicContact CG1-CE2 3.99Å; L731-Y755 HydrophobicContact CD2-CD1 3.98Å; L731-Y755 HydrophobicContact CD2-CD2 3.51Å; L731-Y755 HydrophobicContact CD2-CE2 4.15Å; L731-Y755 HydrophobicContact CD2-CG 3.44Å; L731-Y755 VanDerWaalsContact CD2-CG 3.44Å; V747-Y755 HydrophobicContact CG1-CD1 3.92Å; V747-Y755 HydrophobicContact CG1-CG 4.44Å; R748-Y755 CarbonylContact O-C 3.6Å; R748-Y755 VanDerWaalsContact O-CA 3.22Å; R748-Y755 WeakPolarHBondContact O-CA 3.32Å; D749-Y755 HydrophobicContact CB-CD1 3.94Å; D749-Y755 HydrophobicContact CB-CE1 3.5Å; D749-Y755 VanDerWaalsContact CB-CE1 3.5Å; D749-Y755 WeakPolarHBondContact OD2-CE1 3.25Å; D749-Y755 PolarHBondContact OD2-OH 2.84Å |
| 756 | T | 94.1 | Very high | 88.6 | Confident | 35 Ų | 35 | 62.8 Ų | 62.8 | 22% | 0.215 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 123.3 | 171.6 | -58.8 | 0 | 0 | 0 | 0 | 109.7 | R748 N750 | R748-T756 PolarHBondContact N-O 3.3Å; R748-T756 PolarHBondContact O-N 2.94Å; N750-T756 PolarHBondContact ND2-OG1 3.01Å |
| 757 | C | 95.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 135.3 | 179.9 | -62.3 | 0 | 0 | 0 | 0 | 109.8 | E717 F718 L745 K746 | E717-C757 CarbonylContact C-O 3.33Å; E717-C757 VanDerWaalsContact CA-O 3.31Å; E717-C757 WeakPolarHBondContact CA-O 3.35Å; F718-C757 HydrophobicContact CD1-CB 3.93Å; F718-C757 HydrophobicContact CD2-CB 3.92Å; F718-C757 HydrophobicContact CE1-CB 3.59Å; F718-C757 HydrophobicContact CE2-CB 3.57Å; F718-C757 HydrophobicContact CG-CB 4.1Å; F718-C757 HydrophobicContact CZ-CB 3.41Å; F718-C757 VanDerWaalsContact CZ-CB 3.41Å; F718-C757 PolarHBondContact N-O 2.9Å; F718-C757 PolarHBondContact O-N 3.32Å; L745-C757 HydrophobicContact CD2-CB 4.39Å; K746-C757 CarbonylContact O-C 3.38Å; K746-C757 VanDerWaalsContact O-CA 3.28Å; K746-C757 WeakPolarHBondContact O-CA 2.99Å |
| 758 | S | 93.8 | Very high | 88.4 | Confident | 34 Ų | 34 | 51.9 Ų | 51.9 | 24% | 0.238 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 137.7 | 178.7 | 71.5 | 0 | 0 | 0 | 0 | 112.2 | T716 K746 | T716-S758 VanDerWaalsContact O-CA 3.28Å; T716-S758 WeakPolarHBondContact O-CA 3.22Å; K746-S758 PolarHBondContact N-O 3.23Å; K746-S758 PolarHBondContact O-N 2.99Å |
| 759 | Y | 94.1 | Very high | 88.4 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 172.8 | 170.2 | 70.3 | -81 | 0 | 0 | 0 | 111.2 | G704 P715 T716 F718 C735 V743 L745 P761 V769 | G704-Y759 VanDerWaalsContact O-CE1 3.31Å; G704-Y759 WeakPolarHBondContact O-CE1 3.41Å; G704-Y759 PolarHBondContact O-OH 2.8Å; P715-Y759 WeakPolarHBondContact CA-O 3.38Å; T716-Y759 HydrophobicContact CG2-CD1 4.15Å; T716-Y759 HydrophobicContact CG2-CE1 3.82Å; T716-Y759 HydrophobicContact CG2-CE2 4.2Å; T716-Y759 HydrophobicContact CG2-CG 4.48Å; T716-Y759 PolarHBondContact N-O 3.22Å; T716-Y759 PolarHBondContact O-N 3.04Å; F718-Y759 HydrophobicContact CE1-CD1 4.37Å; F718-Y759 HydrophobicContact CE1-CE1 4.31Å; C735-Y759 VanDerWaalsContact SG-CE2 3.58Å; V743-Y759 HydrophobicContact CG1-CD2 3.99Å; L745-Y759 HydrophobicContact CD1-CD1 4.02Å; L745-Y759 HydrophobicContact CD1-CG 4.45Å; Y759-P761 HydrophobicContact CD2-CB 4.46Å; Y759-P761 HydrophobicContact CE2-CB 4.06Å; Y759-P761 HydrophobicContact CE2-CG 4.16Å; Y759-V769 HydrophobicContact CE1-CG2 3.86Å |
| 760 | T | 90.5 | Very high | 88.5 | Confident | 60 Ų | 60 | 39.6 Ų | 39.6 | 37% | 0.368 | 23% | 0.226 | S | C | . | . | trans | -129.7 | 98.5 | 177.9 | -54.8 | 0 | 0 | 0 | 0 | 108.5 | K762 | T760-K762 PolarHBondContact O-N 3.11Š| ||
| 761 | P | 84.3 | Confident | 88.6 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -65.1 | 130.1 | 176.6 | 28 | -34.2 | 0 | 0 | 0 | 109.8 | G713 Y759 H767 V787 | G713-P761 PolarHBondContact N-O 3.18Å; Y759-P761 HydrophobicContact CD2-CB 4.46Å; Y759-P761 HydrophobicContact CE2-CB 4.06Å; Y759-P761 HydrophobicContact CE2-CG 4.16Å; P761-H767 WeakPolarHBondContact CA-NE2 3.37Å; P761-H767 VanDerWaalsContact CB-NE2 3.26Å; P761-H767 WeakPolarHBondContact CB-NE2 3.1Å; P761-V787 HydrophobicContact CB-CB 4.35Å; P761-V787 HydrophobicContact CB-CG1 3.82Å; P761-V787 HydrophobicContact CB-CG2 3.67Å; P761-V787 HydrophobicContact CG-CG1 3.79Å; P761-V787 HydrophobicContact CG-CG2 3.97Å | ||
| 762 | K | 82.6 | Confident | 88.9 | Confident | 182 Ų | 182 | 33.8 Ų | 33.8 | 79% | 0.791 | 18% | 0.179 | S | C | * | . | trans | -97.1 | -21.5 | -174.3 | -67.9 | -177.3 | -177.2 | 172.4 | 0 | 114.1 | T760 | T760-K762 PolarHBondContact O-N 3.11Š| ||
| 763 | V | 76.2 | Confident | 89 | Confident | 51 Ų | 51 | 30.1 Ų | 30.1 | 31% | 0.309 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -117.1 | 138.7 | -176.9 | -103.7 | 0 | 0 | 0 | 0 | 109.8 | D737 K765 H767 | D737-V763 HydrophobicContact CB-CG2 4.41Å; V763-K765 PolarHBondContact O-N 2.89Å; V763-H767 PolarHBondContact O-CE1 2.87Å |
| 764 | P | 80 | Confident | 89.1 | Confident | 50 Ų | 50 | 30.4 Ų | 30.4 | 33% | 0.325 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -80.9 | 67.2 | 178.4 | 35.3 | -36.3 | 0 | 0 | 0 | 110.3 | A712 V787 E789 | A712-P764 HydrophobicContact CB-CB 4.02Å; P764-V787 CarbonylContact C-O 3.57Å; P764-V787 WeakPolarHBondContact CA-O 3.19Å; P764-E789 HydrophobicContact CB-CB 4.29Å; P764-E789 HydrophobicContact CB-CG 3.47Å; P764-E789 VanDerWaalsContact CB-CG 3.47Å; P764-E789 HydrophobicContact CG-CG 3.63Å |
| 765 | K | 81.8 | Confident | 88.5 | Confident | 96 Ų | 96 | 31.3 Ų | 31.3 | 42% | 0.417 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -150.3 | 163.3 | -178.9 | -69.3 | -180 | 175.4 | 178 | 0 | 108.2 | N738 E739 V763 H767 V787 | N738-K765 HydrophobicContact CB-CB 3.91Å; N738-K765 HydrophobicContact CB-CD 4.14Å; N738-K765 VanDerWaalsContact ND2-CD 3.32Å; N738-K765 WeakPolarHBondContact ND2-CD 3.39Å; N738-K765 PolarHBondContact ND2-NZ 2.89Å; N738-K765 VanDerWaalsContact ND2-NZ 3.12Å; N738-K765 WeakPolarHBondContact OD1-CB 3.25Å; N738-K765 WeakPolarHBondContact OD1-CD 3.42Å; E739-K765 IonicContact OE1-NZ 2.68Å; E739-K765 PolarHBondContact OE1-NZ 2.81Å; V763-K765 PolarHBondContact O-N 2.89Å; K765-H767 PolarHBondContact O-ND1 3.4Å; K765-V787 PolarHBondContact N-O 2.64Å; K765-V787 WeakPolarHBondContact O-CB 3.32Å; K765-V787 WeakPolarHBondContact O-CG2 3.36Å |
| 766 | K | 85.9 | Confident | 88.2 | Confident | 26 Ų | 26 | 29.7 Ų | 29.7 | 11% | 0.113 | 17% | 0.169 | C | C | . | . | trans | -49.9 | 143.7 | 179.7 | 79.5 | 179.4 | -166.4 | 175.1 | 0 | 112.6 | E624 D651 S653 N738 V785 | E624-K766 WeakPolarHBondContact OE1-CE 3.33Å; E624-K766 IonicContact OE1-NZ 2.72Å; E624-K766 PolarHBondContact OE1-NZ 3.35Å; D651-K766 HydrophobicContact CB-CD 4.05Å; D651-K766 PolarHBondContact O-NZ 3.37Å; D651-K766 IonicContact OD1-NZ 2.73Å; D651-K766 PolarHBondContact OD1-NZ 3.47Å; D651-K766 VanDerWaalsContact OD2-CD 3.27Å; D651-K766 WeakPolarHBondContact OD2-CD 3.44Å; D651-K766 IonicContact OD2-NZ 2.76Å; D651-K766 PolarHBondContact OD2-NZ 2.93Å; S653-K766 PolarHBondContact OG-NZ 2.88Å; N738-K766 HydrophobicContact CB-CG 4.07Å; N738-K766 WeakPolarHBondContact CB-O 3.32Å; N738-K766 PolarHBondContact N-O 3.36Å; N738-K766 VanDerWaalsContact N-O 3.16Å; K766-V785 CarbonylContact C-O 3.49Å; K766-V785 WeakPolarHBondContact CA-O 3.46Å | ||
| 767 | H | 90.2 | Very high | 87.9 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 145.4 | 167.7 | -73.7 | 49.5 | 0 | 0 | 0 | 108.5 | R736 P761 V763 K765 V785 V787 | R736-H767 CarbonylContact O-C 3.54Å; R736-H767 WeakPolarHBondContact O-CA 3.44Å; R736-H767 WeakPolarHBondContact O-CB 3.39Å; P761-H767 WeakPolarHBondContact CA-NE2 3.37Å; P761-H767 VanDerWaalsContact CB-NE2 3.26Å; P761-H767 WeakPolarHBondContact CB-NE2 3.1Å; V763-H767 PolarHBondContact O-CE1 2.87Å; K765-H767 PolarHBondContact O-ND1 3.4Å; H767-V785 PolarHBondContact N-O 2.94Å; H767-V785 PolarHBondContact O-N 2.89Å; H767-V787 HydrophobicContact CB-CG2 4.44Å |
| 768 | T | 89.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 112.5 | -179.2 | -57.3 | 0 | 0 | 0 | 0 | 109.1 | F606 V622 R736 L770 P782 | F606-T768 HydrophobicContact CE2-CG2 4.02Å; V622-T768 HydrophobicContact CG2-CG2 4.47Å; R736-T768 PolarHBondContact N-O 3.18Å; R736-T768 PolarHBondContact O-N 3.26Å; T768-L770 HydrophobicContact CG2-CD1 4.18Å; T768-P782 HydrophobicContact CG2-CB 3.86Å |
| 769 | V | 92.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 118.1 | 178.2 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | I705 F718 E734 C735 Y759 V771 F783 V785 | I705-V769 HydrophobicContact CG2-CB 4.27Å; I705-V769 HydrophobicContact CG2-CG1 4.1Å; F718-V769 HydrophobicContact CE1-CG1 3.98Å; F718-V769 HydrophobicContact CZ-CG1 3.69Å; E734-V769 CarbonylContact O-C 3.53Å; E734-V769 WeakPolarHBondContact O-CA 3.39Å; C735-V769 HydrophobicContact CB-CG2 4.3Å; Y759-V769 HydrophobicContact CE1-CG2 3.86Å; V769-V771 HydrophobicContact CG1-CG2 4.35Å; V769-F783 HydrophobicContact CB-CB 4.31Å; V769-F783 PolarHBondContact N-O 2.8Å; V769-F783 PolarHBondContact O-N 3.04Å; V769-V785 HydrophobicContact CG2-CG2 4.37Å |
| 770 | L | 91.7 | Very high | 86.9 | Confident | 6 Ų | 6 | 36.5 Ų | 36.5 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 129.2 | 174.7 | -60.1 | 101.5 | 0 | 0 | 0 | 109.8 | F606 V733 E734 T768 P782 | F606-L770 HydrophobicContact CD2-CD1 3.95Å; F606-L770 HydrophobicContact CE2-CD1 4.01Å; V733-L770 WeakPolarHBondContact CA-O 3.25Å; E734-L770 PolarHBondContact N-O 3.47Å; E734-L770 PolarHBondContact O-N 2.72Å; T768-L770 HydrophobicContact CG2-CD1 4.18Å; L770-P782 HydrophobicContact CD2-CB 4.29Å; L770-P782 HydrophobicContact CG-CB 4.09Å |
| 771 | V | 93.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 125.7 | 172.1 | -176.7 | 0 | 0 | 0 | 0 | 108.6 | F718 V720 L731 V733 V769 N777 I778 S781 F783 | F718-V771 HydrophobicContact CE2-CG2 3.95Å; F718-V771 HydrophobicContact CZ-CG2 4.28Å; V720-V771 HydrophobicContact CG1-CG1 4.21Å; V720-V771 HydrophobicContact CG2-CG1 4.14Å; L731-V771 HydrophobicContact CD1-CG1 3.93Å; V733-V771 HydrophobicContact CG1-CG2 4.27Å; V733-V771 HydrophobicContact CG2-CG1 4.3Å; V733-V771 HydrophobicContact CG2-CG2 4.42Å; V769-V771 HydrophobicContact CG1-CG2 4.35Å; V771-N777 PolarHBondContact O-OD1 2.64Å; V771-I778 HydrophobicContact CB-CD1 3.81Å; V771-I778 HydrophobicContact CB-CG1 3.89Å; V771-I778 HydrophobicContact CG1-CD1 3.49Å; V771-I778 VanDerWaalsContact CG1-CD1 3.49Å; V771-I778 HydrophobicContact CG1-CG1 3.88Å; V771-I778 HydrophobicContact CG1-CG2 4.23Å; V771-I778 PolarHBondContact O-N 3.1Å; V771-I778 VanDerWaalsContact O-N 3.15Å; V771-S781 PolarHBondContact N-OG 2.83Å; V771-S781 WeakPolarHBondContact O-CB 3.31Å; V771-S781 PolarHBondContact O-OG 2.85Å; V771-F783 HydrophobicContact CB-CE2 4.26Å; V771-F783 HydrophobicContact CG2-CD2 4.33Å; V771-F783 HydrophobicContact CG2-CE2 4.04Å |
| 772 | S | 90.7 | Very high | 87.2 | Confident | 8 Ų | 8 | 35 Ų | 35 | 6% | 0.056 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 146.8 | 178.2 | 59.3 | 0 | 0 | 0 | 0 | 111.7 | T732 V776 | T732-S772 PolarHBondContact N-O 2.78Å; T732-S772 PolarHBondContact O-N 2.87Å; S772-V776 CarbonylContact C-O 3.5Å; S772-V776 WeakPolarHBondContact CA-O 3.33Å; S772-V776 WeakPolarHBondContact CB-O 3.21Å |
| 773 | Y | 90.1 | Very high | 87.7 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 124.2 | -178.7 | -162.3 | -110.9 | 0 | 0 | 0 | 109.2 | C693 V698 I722 G727 A729 P730 L731 G775 V776 | C693-Y773 HydrophobicContact CB-CD1 4.5Å; C693-Y773 HydrophobicContact CB-CE1 4.14Å; V698-Y773 HydrophobicContact CG2-CD1 3.79Å; V698-Y773 HydrophobicContact CG2-CE1 4.4Å; V698-Y773 HydrophobicContact CG2-CG 3.87Å; I722-Y773 HydrophobicContact CB-CE2 4.28Å; I722-Y773 HydrophobicContact CD1-CE2 4.08Å; I722-Y773 VanDerWaalsContact CD1-OH 3.31Å; I722-Y773 WeakPolarHBondContact CD1-OH 3.49Å; I722-Y773 HydrophobicContact CG2-CD2 4.01Å; I722-Y773 HydrophobicContact CG2-CE2 3.7Å; G727-Y773 PolarHBondContact O-OH 3.17Å; A729-Y773 HydrophobicContact CB-CD1 4.15Å; A729-Y773 HydrophobicContact CB-CE1 3.77Å; A729-Y773 PolarHBondContact N-OH 3.36Å; A729-Y773 WeakPolarHBondContact O-CE2 3.44Å; A729-Y773 PolarHBondContact O-OH 2.78Å; P730-Y773 WeakPolarHBondContact O-CA 3.42Å; L731-Y773 HydrophobicContact CB-CD2 3.95Å; L731-Y773 HydrophobicContact CB-CE2 4.15Å; L731-Y773 HydrophobicContact CD1-CD2 4.13Å; Y773-G775 PolarHBondContact O-N 2.82Å; Y773-V776 PolarHBondContact N-O 3.35Å; Y773-V776 PolarHBondContact O-N 2.93Å |
| 774 | G | 86.2 | Confident | 88.2 | Confident | 24 Ų | 24 | 27.3 Ų | 27.3 | 25% | 0.247 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 29.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | P730 V776 | P730-G774 PolarHBondContact O-N 2.86Å; G774-V776 VanDerWaalsContact C-N 3.29Å; G774-V776 PolarHBondContact O-N 2.98Å |
| 775 | G | 81.1 | Confident | 88.7 | Confident | 32 Ų | 32 | 25 Ų | 25 | 33% | 0.33 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | -11.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y773 | Y773-G775 PolarHBondContact O-N 2.82Š|
| 776 | V | 86.9 | Confident | 88.8 | Confident | 12 Ų | 12 | 25.8 Ų | 25.8 | 7% | 0.073 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 140.6 | -179 | -174.5 | 0 | 0 | 0 | 0 | 110.3 | V614 K617 P695 S772 Y773 G774 | V614-V776 HydrophobicContact CB-CG2 4.17Å; V614-V776 HydrophobicContact CG2-CG2 3.94Å; K617-V776 HydrophobicContact CB-CG1 4.15Å; K617-V776 HydrophobicContact CB-CG2 3.86Å; K617-V776 HydrophobicContact CG-CG2 4.18Å; P695-V776 HydrophobicContact CB-CB 4.1Å; P695-V776 HydrophobicContact CB-CG1 4.27Å; P695-V776 HydrophobicContact CG-CB 3.84Å; P695-V776 HydrophobicContact CG-CG1 4.28Å; P695-V776 HydrophobicContact CG-CG2 4.27Å; S772-V776 CarbonylContact C-O 3.5Å; S772-V776 WeakPolarHBondContact CA-O 3.33Å; S772-V776 WeakPolarHBondContact CB-O 3.21Å; Y773-V776 PolarHBondContact N-O 3.35Å; Y773-V776 PolarHBondContact O-N 2.93Å; G774-V776 VanDerWaalsContact C-N 3.29Å; G774-V776 PolarHBondContact O-N 2.98Å |
| 777 | N | 88.9 | Confident | 88.6 | Confident | 17 Ų | 17 | 24.9 Ų | 24.9 | 9% | 0.091 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 139.1 | 174.7 | -102.6 | 9.7 | 0 | 0 | 0 | 111.4 | P608 V620 V771 S781 | P608-N777 WeakPolarHBondContact CG-OD1 3.32Å; V620-N777 HydrophobicContact CB-CB 4.35Å; V620-N777 HydrophobicContact CG2-CB 4.34Å; V771-N777 PolarHBondContact O-OD1 2.64Å; N777-S781 VanDerWaalsContact CG-OG 3.3Å; N777-S781 VanDerWaalsContact ND2-C 3.29Å; N777-S781 PolarHBondContact ND2-O 2.9Å; N777-S781 PolarHBondContact ND2-OG 3.3Å; N777-S781 PolarHBondContact OD1-OG 2.83Å |
| 778 | I | 92 | Very high | 87.4 | Confident | 3 Ų | 3 | 25.6 Ų | 25.6 | 2% | 0.015 | 14% | 0.139 | C | C | . | . | P | Polyproline II helix | trans | -78 | 162.9 | 172.6 | 73.8 | 164.1 | 0 | 0 | 0 | 110.5 | V698 A700 V771 R780 S781 F783 | V698-I778 HydrophobicContact CB-CB 4.25Å; V698-I778 HydrophobicContact CB-CG2 3.74Å; V698-I778 HydrophobicContact CG1-CB 4.39Å; V698-I778 HydrophobicContact CG1-CD1 4.19Å; V698-I778 HydrophobicContact CG1-CG2 3.73Å; V698-I778 HydrophobicContact CG2-CG2 4.47Å; A700-I778 HydrophobicContact CB-CD1 3.56Å; V771-I778 HydrophobicContact CB-CD1 3.81Å; V771-I778 HydrophobicContact CB-CG1 3.89Å; V771-I778 HydrophobicContact CG1-CD1 3.49Å; V771-I778 VanDerWaalsContact CG1-CD1 3.49Å; V771-I778 HydrophobicContact CG1-CG1 3.88Å; V771-I778 HydrophobicContact CG1-CG2 4.23Å; V771-I778 PolarHBondContact O-N 3.1Å; V771-I778 VanDerWaalsContact O-N 3.15Å; I778-R780 PolarHBondContact O-N 3.36Å; I778-S781 WeakPolarHBondContact O-CB 3.5Å; I778-S781 PolarHBondContact O-N 3.04Å; I778-F783 HydrophobicContact CD1-CE2 4.28Å; I778-F783 HydrophobicContact CD1-CZ 4.3Å; I778-F783 HydrophobicContact CG1-CE2 4.38Å |
| 779 | P | 84.6 | Confident | 86.2 | Confident | 51 Ų | 51 | 30.6 Ų | 30.6 | 33% | 0.331 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 132.1 | 179.2 | -27 | 35.9 | 0 | 0 | 0 | 113.2 | P695 E696 S781 | P695-P779 WeakPolarHBondContact O-CD 3.46Å; E696-P779 HydrophobicContact CB-CG 4.34Å; E696-P779 WeakPolarHBondContact O-CG 3.4Å; P779-S781 VanDerWaalsContact C-N 3.25Å; P779-S781 PolarHBondContact O-N 3.06Å |
| 780 | R | 86.6 | Confident | 84.7 | Confident | 145 Ų | 145 | 34.6 Ų | 34.6 | 55% | 0.547 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 3.4 | -173.3 | -46.1 | 175.8 | -62 | 162.3 | 5.4 | 116 | A700 I778 P782 F783 | A700-R780 PolarHBondContact O-NH2 2.88Å; I778-R780 PolarHBondContact O-N 3.36Å; R780-P782 CarbonylContact O-C 3.58Å; R780-P782 VanDerWaalsContact O-C 3.25Å; R780-F783 HydrophobicContact CB-CD1 4.23Å; R780-F783 HydrophobicContact CB-CE1 3.6Å; R780-F783 HydrophobicContact CB-CZ 4.08Å; R780-F783 WeakPolarHBondContact O-CD1 3.36Å; R780-F783 PolarHBondContact O-N 3.29Å |
| 781 | S | 90.1 | Very high | 83.2 | Confident | 13 Ų | 13 | 36.6 Ų | 36.6 | 9% | 0.091 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -78.8 | 130.6 | 163.9 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | V771 N777 I778 P779 | V771-S781 PolarHBondContact N-OG 2.83Å; V771-S781 WeakPolarHBondContact O-CB 3.31Å; V771-S781 PolarHBondContact O-OG 2.85Å; N777-S781 VanDerWaalsContact CG-OG 3.3Å; N777-S781 VanDerWaalsContact ND2-C 3.29Å; N777-S781 PolarHBondContact ND2-O 2.9Å; N777-S781 PolarHBondContact ND2-OG 3.3Å; N777-S781 PolarHBondContact OD1-OG 2.83Å; I778-S781 WeakPolarHBondContact O-CB 3.5Å; I778-S781 PolarHBondContact O-N 3.04Å; P779-S781 VanDerWaalsContact C-N 3.25Å; P779-S781 PolarHBondContact O-N 3.06Å |
| 782 | P | 89.9 | Confident | 82 | Confident | 17 Ų | 17 | 40.2 Ų | 40.2 | 11% | 0.11 | 22% | 0.222 | C | C | . | . | S | Bend | cis | -79.1 | 135.3 | 5.7 | 33.2 | -36.7 | 0 | 0 | 0 | 113.8 | V622 T655 T768 L770 R780 | V622-P782 HydrophobicContact CG2-CB 4.09Å; V622-P782 HydrophobicContact CG2-CG 3.67Å; T655-P782 HydrophobicContact CG2-CG 4.24Å; T768-P782 HydrophobicContact CG2-CB 3.86Å; L770-P782 HydrophobicContact CD2-CB 4.29Å; L770-P782 HydrophobicContact CG-CB 4.09Å; R780-P782 CarbonylContact O-C 3.58Å; R780-P782 VanDerWaalsContact O-C 3.25Å |
| 783 | F | 92.1 | Very high | 81 | Confident | 13 Ų | 13 | 40.6 Ų | 40.6 | 6% | 0.057 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 117.4 | 174.1 | -57.3 | -90.4 | 0 | 0 | 0 | 109.7 | A700 I705 V769 V771 I778 R780 | A700-F783 HydrophobicContact CB-CE2 4.16Å; A700-F783 HydrophobicContact CB-CZ 3.9Å; I705-F783 HydrophobicContact CB-CB 4.02Å; I705-F783 HydrophobicContact CB-CD1 3.92Å; I705-F783 HydrophobicContact CB-CD2 4.47Å; I705-F783 HydrophobicContact CB-CG 3.89Å; I705-F783 HydrophobicContact CD1-CD1 4.06Å; I705-F783 HydrophobicContact CD1-CE1 3.84Å; I705-F783 HydrophobicContact CD1-CE2 4.48Å; I705-F783 HydrophobicContact CD1-CG 4.48Å; I705-F783 HydrophobicContact CD1-CZ 4.09Å; I705-F783 HydrophobicContact CG1-CD1 4.42Å; I705-F783 HydrophobicContact CG2-CB 4.11Å; I705-F783 HydrophobicContact CG2-CD1 4.48Å; I705-F783 HydrophobicContact CG2-CD2 4.16Å; I705-F783 HydrophobicContact CG2-CG 4Å; V769-F783 HydrophobicContact CB-CB 4.31Å; V769-F783 PolarHBondContact N-O 2.8Å; V769-F783 PolarHBondContact O-N 3.04Å; V771-F783 HydrophobicContact CB-CE2 4.26Å; V771-F783 HydrophobicContact CG2-CD2 4.33Å; V771-F783 HydrophobicContact CG2-CE2 4.04Å; I778-F783 HydrophobicContact CD1-CE2 4.28Å; I778-F783 HydrophobicContact CD1-CZ 4.3Å; I778-F783 HydrophobicContact CG1-CE2 4.38Å; R780-F783 HydrophobicContact CB-CD1 4.23Å; R780-F783 HydrophobicContact CB-CE1 3.6Å; R780-F783 HydrophobicContact CB-CZ 4.08Å; R780-F783 WeakPolarHBondContact O-CD1 3.36Å; R780-F783 PolarHBondContact O-N 3.29Å |
| 784 | R | 88.4 | Confident | 80.4 | Confident | 58 Ų | 58 | 42.9 Ų | 42.9 | 22% | 0.219 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 129.4 | 169.1 | -70.1 | -178.2 | 172.7 | 80 | 7.2 | 109.6 | N649 D651 S653 T655 | N649-R784 VanDerWaalsContact CG-NH1 3.26Å; N649-R784 PolarHBondContact ND2-NH2 2.81Å; N649-R784 VanDerWaalsContact OD1-CZ 3.29Å; N649-R784 PolarHBondContact OD1-NH1 2.85Å; D651-R784 IonicContact OD1-NE 3.61Å; D651-R784 VanDerWaalsContact OD2-CD 3.27Å; D651-R784 WeakPolarHBondContact OD2-CD 3.5Å; D651-R784 IonicContact OD2-NE 3.43Å; D651-R784 PolarHBondContact OD2-NE 3.46Å; S653-R784 PolarHBondContact OG-NE 2.85Å; S653-R784 PolarHBondContact OG-NH2 3.22Å; T655-R784 PolarHBondContact OG1-NH1 2.89Å; T655-R784 PolarHBondContact OG1-NH2 2.83Å |
| 785 | V | 90.2 | Very high | 80.1 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 110.9 | -177 | 177 | 0 | 0 | 0 | 0 | 108.7 | N710 K766 H767 V769 V787 | N710-V785 HydrophobicContact CB-CG1 3.9Å; N710-V785 VanDerWaalsContact ND2-CG1 3.25Å; N710-V785 WeakPolarHBondContact ND2-CG1 3.31Å; K766-V785 CarbonylContact C-O 3.49Å; K766-V785 WeakPolarHBondContact CA-O 3.46Å; H767-V785 PolarHBondContact N-O 2.94Å; H767-V785 PolarHBondContact O-N 2.89Å; V769-V785 HydrophobicContact CG2-CG2 4.37Å; V785-V787 HydrophobicContact CG1-CG2 4.37Å |
| 786 | E | 84.4 | Confident | 80.1 | Confident | 113 Ų | 113 | 45.4 Ų | 45.4 | 53% | 0.528 | 24% | 0.244 | S | C | . | . | trans | -69.1 | 137.5 | 165.4 | -69.2 | -123.8 | 113 | 0 | 0 | 110.1 | P707 | P707-E786 WeakPolarHBondContact O-CB 3.24Å; P707-E786 PolarHBondContact O-N 3.03Å | ||
| 787 | V | 80.6 | Confident | 80 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 5% | 0.048 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 115.7 | 178.2 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | N710 A712 P761 P764 K765 H767 V785 | N710-V787 CarbonylContact O-C 3.37Å; N710-V787 WeakPolarHBondContact O-CA 3.4Å; A712-V787 HydrophobicContact CB-CG1 3.86Å; A712-V787 VanDerWaalsContact N-CG1 3.31Å; P761-V787 HydrophobicContact CB-CB 4.35Å; P761-V787 HydrophobicContact CB-CG1 3.82Å; P761-V787 HydrophobicContact CB-CG2 3.67Å; P761-V787 HydrophobicContact CG-CG1 3.79Å; P761-V787 HydrophobicContact CG-CG2 3.97Å; P764-V787 CarbonylContact C-O 3.57Å; P764-V787 WeakPolarHBondContact CA-O 3.19Å; K765-V787 PolarHBondContact N-O 2.64Å; K765-V787 WeakPolarHBondContact O-CB 3.32Å; K765-V787 WeakPolarHBondContact O-CG2 3.36Å; H767-V787 HydrophobicContact CB-CG2 4.44Å; V785-V787 HydrophobicContact CG1-CG2 4.37Å |
| 788 | A | 65.5 | Low | 80.1 | Confident | 16 Ų | 16 | 51.9 Ų | 51.9 | 13% | 0.132 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 149.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | N710 V711 A712 H823 | N710-A788 WeakPolarHBondContact O-CB 3.32Å; N710-A788 PolarHBondContact O-N 2.85Å; V711-A788 HydrophobicContact CG2-CB 4.38Å; A712-A788 PolarHBondContact N-O 3.17Å; A788-H823 HydrophobicContact CB-CB 4.07Å; A788-H823 VanDerWaalsContact CB-CD2 3.41Å; A788-H823 WeakPolarHBondContact CB-CD2 3.25Å |
| 789 | E | 64.9 | Low | 79.9 | Confident | 105 Ų | 105 | 55.6 Ų | 55.6 | 49% | 0.491 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 136.2 | 161.6 | -73.5 | -157 | 147.4 | 0 | 0 | 111.8 | P764 S791 H823 | P764-E789 HydrophobicContact CB-CB 4.29Å; P764-E789 HydrophobicContact CB-CG 3.47Å; P764-E789 VanDerWaalsContact CB-CG 3.47Å; P764-E789 HydrophobicContact CG-CG 3.63Å; E789-S791 PolarHBondContact O-N 2.83Å; E789-H823 PolarHBondContact N-CD2 3.06Å; E789-H823 PolarHBondContact O-CD2 2.91Å |
| 790 | P | 61.1 | Low | 79.8 | Confident | 83 Ų | 83 | 53.6 Ų | 53.6 | 54% | 0.539 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 128.7 | 178 | 24.5 | -33.2 | 0 | 0 | 0 | 112.5 | V711 | V711-P790 HydrophobicContact CG1-CB 3.87Š|
| 791 | S | 60 | Low | 79.4 | Confident | 49 Ų | 49 | 49.1 Ų | 49.1 | 34% | 0.343 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 136.9 | -170.5 | 65.4 | 0 | 0 | 0 | 0 | 114.7 | E789 A821 H823 N870 | E789-S791 PolarHBondContact O-N 2.83Å; S791-A821 CarbonylContact C-O 3.57Å; S791-A821 VanDerWaalsContact CA-O 3.31Å; S791-A821 WeakPolarHBondContact CA-O 3.26Å; S791-H823 WeakPolarHBondContact CB-O 3.44Å; S791-N870 PolarHBondContact OG-ND2 3.02Å; S791-N870 VanDerWaalsContact OG-ND2 3.08Å |
| 792 | N | 67.8 | Low | 79.2 | Confident | 75 Ų | 75 | 48.5 Ų | 48.5 | 40% | 0.401 | 26% | 0.259 | S | S | . | . | trans | -135.5 | 95.4 | 178.8 | -174.9 | -13 | 0 | 0 | 0 | 112.3 | G794 K795 A821 | N792-G794 PolarHBondContact O-N 2.78Å; N792-G794 VanDerWaalsContact O-N 3.11Å; N792-G794 PolarHBondContact OD1-N 2.86Å; N792-K795 PolarHBondContact O-N 3.45Å; N792-A821 PolarHBondContact N-O 2.98Å; N792-A821 WeakPolarHBondContact O-CB 3.33Å | ||
| 793 | P | 69.8 | Low | 79.1 | Confident | 16 Ų | 16 | 48.7 Ų | 48.7 | 10% | 0.104 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -55 | -28.4 | 177.5 | -25.1 | 32.7 | 0 | 0 | 0 | 114.5 | K795 V796 F869 Q872 P875 | P793-K795 PolarHBondContact O-N 2.6Å; P793-K795 VanDerWaalsContact O-N 3.08Å; P793-V796 PolarHBondContact O-N 2.82Å; P793-V796 VanDerWaalsContact O-N 3.12Å; P793-F869 HydrophobicContact CB-CB 4.11Å; P793-F869 HydrophobicContact CB-CD1 4.28Å; P793-F869 HydrophobicContact CG-CB 4.36Å; P793-F869 HydrophobicContact CG-CD1 4.03Å; P793-Q872 HydrophobicContact CB-CB 4.34Å; P793-Q872 HydrophobicContact CG-CB 3.85Å; P793-P875 WeakPolarHBondContact O-CD 3.26Å |
| 794 | G | 76.4 | Confident | 78.5 | Confident | 50 Ų | 50 | 53.4 Ų | 53.4 | 52% | 0.515 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -66.7 | -7.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | N792 | N792-G794 PolarHBondContact O-N 2.78Å; N792-G794 VanDerWaalsContact O-N 3.11Å; N792-G794 PolarHBondContact OD1-N 2.86Å |
| 795 | K | 80 | Confident | 78 | Confident | 101 Ų | 101 | 54.5 Ų | 54.5 | 44% | 0.439 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -106.3 | -0.5 | 175.3 | -75.3 | -175.5 | 167.9 | -168.8 | 0 | 114.4 | N792 P793 Q820 A821 | N792-K795 PolarHBondContact O-N 3.45Å; P793-K795 PolarHBondContact O-N 2.6Å; P793-K795 VanDerWaalsContact O-N 3.08Å; K795-Q820 HydrophobicContact CB-CB 4.18Å; K795-Q820 HydrophobicContact CD-CB 3.87Å; K795-Q820 WeakPolarHBondContact CD-O 3.46Å; K795-A821 HydrophobicContact CB-CB 4.39Å |
| 796 | V | 81.9 | Confident | 77.2 | Confident | 8 Ų | 8 | 54.5 Ų | 54.5 | 5% | 0.048 | 29% | 0.292 | C | S | . | . | trans | -72.9 | 135.2 | 171.2 | 179.8 | 0 | 0 | 0 | 0 | 109.9 | P793 V816 D817 C818 A821 F869 V874 | P793-V796 PolarHBondContact O-N 2.82Å; P793-V796 VanDerWaalsContact O-N 3.12Å; V796-V816 HydrophobicContact CG1-CG1 3.47Å; V796-V816 VanDerWaalsContact CG1-CG1 3.47Å; V796-D817 CarbonylContact C-O 3.56Å; V796-D817 WeakPolarHBondContact CA-O 3.39Å; V796-C818 HydrophobicContact CG2-CB 4.38Å; V796-A821 HydrophobicContact CG2-CB 3.53Å; V796-F869 HydrophobicContact CG2-CB 3.9Å; V796-F869 HydrophobicContact CG2-CD1 4.1Å; V796-F869 HydrophobicContact CG2-CD2 3.97Å; V796-F869 HydrophobicContact CG2-CG 3.73Å; V796-V874 HydrophobicContact CB-CB 4.17Å; V796-V874 HydrophobicContact CB-CG1 3.93Å; V796-V874 HydrophobicContact CG1-CB 4.32Å; V796-V874 HydrophobicContact CG1-CG1 4Å; V796-V874 HydrophobicContact CG1-CG2 4.43Å; V796-V874 HydrophobicContact CG2-CG1 4.27Å | ||
| 797 | R | 84.3 | Confident | 76.7 | Confident | 141 Ų | 141 | 50.9 Ų | 50.9 | 53% | 0.532 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 123.5 | -178.4 | -63 | 168.9 | 59.5 | -132.8 | -0.6 | 111 | F799 V816 D817 | R797-F799 HydrophobicContact CB-CD1 4.29Å; R797-F799 HydrophobicContact CB-CE1 4.46Å; R797-V816 CarbonylContact O-C 3.51Å; R797-V816 WeakPolarHBondContact O-CA 3.34Å; R797-D817 HydrophobicContact CB-CB 4.22Å; R797-D817 IonicContact CZ-OD2 2.65Å; R797-D817 PolarHBondContact N-O 2.92Å; R797-D817 IonicContact NH1-OD2 2.7Å; R797-D817 PolarHBondContact NH1-OD2 2.77Å; R797-D817 PolarHBondContact O-N 2.89Å |
| 798 | V | 90.9 | Very high | 76.5 | Confident | 24 Ų | 24 | 55.7 Ų | 55.7 | 15% | 0.145 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 126.3 | 174.8 | -167.4 | 0 | 0 | 0 | 0 | 109.9 | V803 F814 T815 V816 V867 V874 F879 | V798-V803 HydrophobicContact CG1-CG1 3.94Å; V798-V803 HydrophobicContact CG1-CG2 4.25Å; V798-F814 HydrophobicContact CG1-CD2 3.69Å; V798-F814 HydrophobicContact CG1-CE2 4.16Å; V798-T815 CarbonylContact C-O 3.51Å; V798-T815 VanDerWaalsContact CA-O 3.31Å; V798-T815 WeakPolarHBondContact CA-O 3.16Å; V798-V816 HydrophobicContact CG1-CG2 4.28Å; V798-V816 HydrophobicContact CG2-CG1 4.41Å; V798-V816 HydrophobicContact CG2-CG2 4.27Å; V798-V867 HydrophobicContact CG2-CB 4.17Å; V798-V867 HydrophobicContact CG2-CG1 4.22Å; V798-V867 HydrophobicContact CG2-CG2 3.99Å; V798-V874 HydrophobicContact CG2-CG2 4Å; V798-F879 HydrophobicContact CB-CE1 4.13Å; V798-F879 HydrophobicContact CB-CE2 3.89Å; V798-F879 HydrophobicContact CB-CZ 3.54Å; V798-F879 HydrophobicContact CG1-CE2 4.15Å; V798-F879 HydrophobicContact CG1-CZ 4.17Å; V798-F879 HydrophobicContact CG2-CE2 3.75Å; V798-F879 HydrophobicContact CG2-CZ 3.7Å |
| 799 | F | 87.8 | Confident | 76.8 | Confident | 81 Ų | 81 | 56.8 Ų | 56.8 | 36% | 0.355 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 158.1 | -179.3 | 58.7 | -90.8 | 0 | 0 | 0 | 113 | R797 F814 T815 D817 | R797-F799 HydrophobicContact CB-CD1 4.29Å; R797-F799 HydrophobicContact CB-CE1 4.46Å; F799-F814 CarbonylContact O-C 3.6Å; F799-F814 WeakPolarHBondContact O-CA 3.27Å; F799-T815 HydrophobicContact CE1-CG2 4.28Å; F799-T815 HydrophobicContact CE2-CG2 4.04Å; F799-T815 HydrophobicContact CZ-CG2 3.75Å; F799-T815 PolarHBondContact N-O 2.79Å; F799-T815 PolarHBondContact O-N 2.91Å; F799-D817 HydrophobicContact CE1-CB 3.7Å; F799-D817 HydrophobicContact CZ-CB 4.34Å |
| 800 | G | 83.3 | Confident | 77.3 | Confident | 10 Ų | 10 | 55.7 Ų | 55.7 | 10% | 0.103 | 30% | 0.303 | C | S | . | . | S | Bend | trans | 124.5 | 167.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G802 V803 E804 | G800-G802 PolarHBondContact O-N 2.83Å; G800-G802 VanDerWaalsContact O-N 3.09Å; G800-V803 VanDerWaalsContact O-CG2 3.28Å; G800-V803 WeakPolarHBondContact O-CG2 3.2Å; G800-V803 PolarHBondContact O-N 3.01Å; G800-E804 PolarHBondContact O-N 2.86Å |
| 801 | P | 78.8 | Confident | 78.3 | Confident | 50 Ų | 50 | 56.8 Ų | 56.8 | 33% | 0.325 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -57.4 | -33 | -170 | 20.8 | -32 | 0 | 0 | 0 | 113.7 | V803 E804 N805 Y813 | P801-V803 PolarHBondContact O-N 3.07Å; P801-E804 PolarHBondContact O-N 2.84Å; P801-E804 VanDerWaalsContact O-N 3.09Å; P801-N805 PolarHBondContact O-N 2.84Å; P801-Y813 WeakPolarHBondContact CD-O 3.3Å; P801-Y813 HydrophobicContact CG-CD1 4.18Å; P801-Y813 HydrophobicContact CG-CE1 3.92Å; P801-Y813 WeakPolarHBondContact CG-O 3.16Å |
| 802 | G | 84.3 | Confident | 79.6 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -68.6 | -6.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | G800 T812 Y813 Y854 V881 | G800-G802 PolarHBondContact O-N 2.83Å; G800-G802 VanDerWaalsContact O-N 3.09Å; G802-T812 VanDerWaalsContact CA-OG1 3.3Å; G802-T812 WeakPolarHBondContact CA-OG1 3.37Å; G802-T812 PolarHBondContact N-OG1 2.88Å; G802-T812 VanDerWaalsContact N-OG1 3.15Å; G802-Y813 WeakPolarHBondContact CA-O 3.46Å; G802-Y813 PolarHBondContact N-O 3.36Å; G802-Y854 WeakPolarHBondContact O-CE1 3.38Å; G802-Y854 PolarHBondContact O-OH 3.04Å; G802-Y854 VanDerWaalsContact O-OH 3.11Å; G802-V881 WeakPolarHBondContact O-CG1 3.28Å |
| 803 | V | 87.9 | Confident | 80.7 | Confident | 21 Ų | 21 | 56.9 Ų | 56.9 | 13% | 0.127 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -118.3 | 7.6 | 167.3 | -70.4 | 0 | 0 | 0 | 0 | 113.3 | V798 G800 P801 F814 V865 F879 V881 | V798-V803 HydrophobicContact CG1-CG1 3.94Å; V798-V803 HydrophobicContact CG1-CG2 4.25Å; G800-V803 VanDerWaalsContact O-CG2 3.28Å; G800-V803 WeakPolarHBondContact O-CG2 3.2Å; G800-V803 PolarHBondContact O-N 3.01Å; P801-V803 PolarHBondContact O-N 3.07Å; V803-F814 HydrophobicContact CB-CB 4.39Å; V803-F814 HydrophobicContact CG1-CB 3.84Å; V803-F814 HydrophobicContact CG1-CD1 3.91Å; V803-F814 HydrophobicContact CG1-CD2 4.11Å; V803-F814 HydrophobicContact CG1-CE1 4.47Å; V803-F814 HydrophobicContact CG1-CG 3.7Å; V803-F814 HydrophobicContact CG2-CB 3.96Å; V803-V865 HydrophobicContact CG1-CB 4.44Å; V803-V865 HydrophobicContact CG1-CG1 4.33Å; V803-V865 HydrophobicContact CG1-CG2 4.35Å; V803-F879 HydrophobicContact CG1-CB 4.43Å; V803-F879 HydrophobicContact CG1-CG 4.46Å; V803-V881 HydrophobicContact CB-CG2 4.47Å; V803-V881 HydrophobicContact CG1-CG2 4.45Å |
| 804 | E | 80.8 | Confident | 81.9 | Confident | 113 Ų | 113 | 56.1 Ų | 56.1 | 53% | 0.528 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -59.8 | -175.8 | -70 | 176.2 | -151.5 | 0 | 0 | 112.9 | G800 P801 P882 | G800-E804 PolarHBondContact O-N 2.86Å; P801-E804 PolarHBondContact O-N 2.84Å; P801-E804 VanDerWaalsContact O-N 3.09Å; E804-P882 WeakPolarHBondContact O-CD 3.37Å; E804-P882 WeakPolarHBondContact O-CG 3.42Å |
| 805 | N | 76.5 | Confident | 82.5 | Confident | 80 Ų | 80 | 54.7 Ų | 54.7 | 43% | 0.428 | 28% | 0.276 | S | S | . | . | trans | -158.3 | 120.9 | -175.7 | -77 | -98.5 | 0 | 0 | 0 | 109.3 | P801 K884 | P801-N805 PolarHBondContact O-N 2.84Å; N805-K884 WeakPolarHBondContact OD1-CE 3.18Å; N805-K884 PolarHBondContact OD1-NZ 2.99Å | ||
| 806 | V | 74.6 | Confident | 83.1 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 142 | -174.2 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | T812 A856 V881 P882 V883 K884 | V806-T812 HydrophobicContact CB-CG2 4.39Å; V806-T812 HydrophobicContact CG1-CG2 3.74Å; V806-T812 HydrophobicContact CG2-CG2 3.71Å; V806-A856 HydrophobicContact CG1-CB 3.72Å; V806-V881 HydrophobicContact CB-CG1 4.47Å; V806-V881 HydrophobicContact CG2-CG1 3.55Å; V806-P882 PolarHBondContact N-O 2.7Å; V806-V883 CarbonylContact O-C 3.56Å; V806-V883 VanDerWaalsContact O-CA 3.31Å; V806-V883 WeakPolarHBondContact O-CA 3.28Å; V806-K884 PolarHBondContact O-N 3.22Å |
| 807 | T | 73.6 | Confident | 83.3 | Confident | 36 Ų | 36 | 50.3 Ų | 50.3 | 22% | 0.221 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 130 | 176.5 | -47.6 | 0 | 0 | 0 | 0 | 109.5 | G809 Q810 K884 N886 | T807-G809 PolarHBondContact O-N 2.87Å; T807-Q810 VanDerWaalsContact CB-OE1 3.3Å; T807-Q810 HydrophobicContact CG2-CG 4.04Å; T807-Q810 PolarHBondContact O-N 2.91Å; T807-Q810 PolarHBondContact OG1-OE1 3.14Å; T807-K884 WeakPolarHBondContact CA-O 3.15Å; T807-N886 HydrophobicContact CG2-CB 3.7Å |
| 808 | R | 75.6 | Confident | 83.3 | Confident | 109 Ų | 109 | 44 Ų | 44 | 41% | 0.411 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 125.1 | -174.6 | -169.6 | -173.7 | 174.2 | -147.8 | -8.9 | 111.5 | Q810 A856 N857 V883 K884 N886 | R808-Q810 PolarHBondContact O-N 3.28Å; R808-A856 CarbonylContact C-O 3.54Å; R808-A856 WeakPolarHBondContact CA-O 3.39Å; R808-A856 VanDerWaalsContact CG-O 3.25Å; R808-A856 WeakPolarHBondContact CG-O 3.24Å; R808-N857 PolarHBondContact NE-O 3.33Å; R808-N857 PolarHBondContact NH2-O 2.93Å; R808-V883 HydrophobicContact CB-CG1 3.96Å; R808-K884 PolarHBondContact N-O 3.09Å; R808-N886 VanDerWaalsContact O-CB 3.28Å; R808-N886 WeakPolarHBondContact O-CB 3.42Å |
| 809 | G | 73.1 | Confident | 82.7 | Confident | 40 Ų | 40 | 47.8 Ų | 47.8 | 41% | 0.412 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 13.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | T807 A856 | T807-G809 PolarHBondContact O-N 2.87Å; G809-A856 PolarHBondContact N-O 2.78Å |
| 810 | Q | 74.2 | Confident | 82 | Confident | 81 Ų | 81 | 49.9 Ų | 49.9 | 38% | 0.379 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -100.3 | 135.2 | 160 | -62.6 | -174.8 | -9.2 | 0 | 0 | 108.4 | T807 R808 N886 | T807-Q810 VanDerWaalsContact CB-OE1 3.3Å; T807-Q810 HydrophobicContact CG2-CG 4.04Å; T807-Q810 PolarHBondContact O-N 2.91Å; T807-Q810 PolarHBondContact OG1-OE1 3.14Å; R808-Q810 PolarHBondContact O-N 3.28Å; Q810-N886 PolarHBondContact NE2-OD1 3.37Å |
| 811 | P | 82.2 | Confident | 81.2 | Confident | 106 Ų | 106 | 49.5 Ų | 49.5 | 69% | 0.688 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 140.4 | 169.8 | 28.1 | -33.4 | 0 | 0 | 0 | 109.7 | ||
| 812 | T | 87.4 | Confident | 80.4 | Confident | 15 Ų | 15 | 48.1 Ų | 48.1 | 9% | 0.092 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 166.8 | 179.1 | -165.7 | 0 | 0 | 0 | 0 | 109.6 | G802 V806 A853 Y854 | G802-T812 VanDerWaalsContact CA-OG1 3.3Å; G802-T812 WeakPolarHBondContact CA-OG1 3.37Å; G802-T812 PolarHBondContact N-OG1 2.88Å; G802-T812 VanDerWaalsContact N-OG1 3.15Å; V806-T812 HydrophobicContact CB-CG2 4.39Å; V806-T812 HydrophobicContact CG1-CG2 3.74Å; V806-T812 HydrophobicContact CG2-CG2 3.71Å; T812-A853 CarbonylContact O-C 3.59Å; T812-A853 VanDerWaalsContact O-CA 3.24Å; T812-A853 WeakPolarHBondContact O-CA 3.39Å; T812-Y854 HydrophobicContact CG2-CD1 3.88Å; T812-Y854 HydrophobicContact CG2-CD2 4.38Å; T812-Y854 HydrophobicContact CG2-CE1 3.68Å; T812-Y854 HydrophobicContact CG2-CE2 4.2Å; T812-Y854 HydrophobicContact CG2-CG 4.24Å; T812-Y854 WeakPolarHBondContact CG2-O 3.4Å; T812-Y854 PolarHBondContact N-O 2.59Å; T812-Y854 PolarHBondContact O-N 2.79Å |
| 813 | Y | 92.1 | Very high | 79.1 | Confident | 111 Ų | 111 | 54.7 Ų | 54.7 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 154.4 | 175.8 | 72.2 | -84.9 | 0 | 0 | 0 | 113 | P801 G802 K851 V852 | P801-Y813 WeakPolarHBondContact CD-O 3.3Å; P801-Y813 HydrophobicContact CG-CD1 4.18Å; P801-Y813 HydrophobicContact CG-CE1 3.92Å; P801-Y813 WeakPolarHBondContact CG-O 3.16Å; G802-Y813 WeakPolarHBondContact CA-O 3.46Å; G802-Y813 PolarHBondContact N-O 3.36Å; Y813-K851 HydrophobicContact CD2-CG 4.2Å; Y813-V852 CarbonylContact C-O 3.58Å; Y813-V852 WeakPolarHBondContact CA-O 3.43Å; Y813-V852 WeakPolarHBondContact CB-O 3.45Å |
| 814 | F | 93.3 | Very high | 77.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 169.6 | 165.5 | 63.4 | -91.6 | 0 | 0 | 0 | 110.3 | V798 F799 V803 V816 I828 V830 K851 V852 Y854 V865 V867 | V798-F814 HydrophobicContact CG1-CD2 3.69Å; V798-F814 HydrophobicContact CG1-CE2 4.16Å; F799-F814 CarbonylContact O-C 3.6Å; F799-F814 WeakPolarHBondContact O-CA 3.27Å; V803-F814 HydrophobicContact CB-CB 4.39Å; V803-F814 HydrophobicContact CG1-CB 3.84Å; V803-F814 HydrophobicContact CG1-CD1 3.91Å; V803-F814 HydrophobicContact CG1-CD2 4.11Å; V803-F814 HydrophobicContact CG1-CE1 4.47Å; V803-F814 HydrophobicContact CG1-CG 3.7Å; V803-F814 HydrophobicContact CG2-CB 3.96Å; F814-V816 HydrophobicContact CD2-CG2 3.97Å; F814-V816 HydrophobicContact CE2-CG2 3.76Å; F814-I828 HydrophobicContact CE2-CG2 4.32Å; F814-I828 HydrophobicContact CZ-CG2 3.92Å; F814-V830 HydrophobicContact CE1-CG2 4.24Å; F814-V830 HydrophobicContact CZ-CG2 4.46Å; F814-K851 CarbonylContact O-C 3.59Å; F814-K851 WeakPolarHBondContact O-CA 3.35Å; F814-V852 HydrophobicContact CD1-CB 4.14Å; F814-V852 HydrophobicContact CD1-CG1 4.44Å; F814-V852 HydrophobicContact CD2-CB 4.09Å; F814-V852 HydrophobicContact CD2-CG2 4.22Å; F814-V852 HydrophobicContact CE1-CB 3.75Å; F814-V852 HydrophobicContact CE1-CG1 3.67Å; F814-V852 HydrophobicContact CE2-CB 3.71Å; F814-V852 HydrophobicContact CE2-CG1 4.25Å; F814-V852 HydrophobicContact CE2-CG2 3.62Å; F814-V852 HydrophobicContact CG-CB 4.31Å; F814-V852 HydrophobicContact CZ-CB 3.52Å; F814-V852 HydrophobicContact CZ-CG1 3.55Å; F814-V852 HydrophobicContact CZ-CG2 3.79Å; F814-V852 PolarHBondContact N-O 2.82Å; F814-V852 PolarHBondContact O-N 3.35Å; F814-Y854 HydrophobicContact CD1-CD1 4.31Å; F814-Y854 HydrophobicContact CD1-CE1 4.09Å; F814-Y854 HydrophobicContact CE1-CD1 4.09Å; F814-Y854 HydrophobicContact CE1-CE1 4.04Å; F814-V865 HydrophobicContact CE1-CG1 3.8Å; F814-V865 HydrophobicContact CE1-CG2 4.25Å; F814-V865 HydrophobicContact CE2-CG1 3.98Å; F814-V865 HydrophobicContact CZ-CG1 3.38Å; F814-V867 HydrophobicContact CE2-CG2 4.38Å |
| 815 | T | 89.6 | Confident | 77.4 | Confident | 21 Ų | 21 | 55.8 Ų | 55.8 | 13% | 0.129 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 129.2 | -173.8 | -61.7 | 0 | 0 | 0 | 0 | 109.1 | V798 F799 T849 F850 | V798-T815 CarbonylContact C-O 3.51Å; V798-T815 VanDerWaalsContact CA-O 3.31Å; V798-T815 WeakPolarHBondContact CA-O 3.16Å; F799-T815 HydrophobicContact CE1-CG2 4.28Å; F799-T815 HydrophobicContact CE2-CG2 4.04Å; F799-T815 HydrophobicContact CZ-CG2 3.75Å; F799-T815 PolarHBondContact N-O 2.79Å; F799-T815 PolarHBondContact O-N 2.91Å; T815-T849 HydrophobicContact CG2-CG2 3.27Å; T815-F850 CarbonylContact C-O 3.59Å; T815-F850 VanDerWaalsContact CA-O 3.3Å; T815-F850 WeakPolarHBondContact CA-O 3.28Å |
| 816 | V | 92 | Very high | 77.4 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 96.1 | 176.6 | -174.3 | 0 | 0 | 0 | 0 | 108.3 | V796 R797 V798 F814 V826 I828 F850 V867 | V796-V816 HydrophobicContact CG1-CG1 3.47Å; V796-V816 VanDerWaalsContact CG1-CG1 3.47Å; R797-V816 CarbonylContact O-C 3.51Å; R797-V816 WeakPolarHBondContact O-CA 3.34Å; V798-V816 HydrophobicContact CG1-CG2 4.28Å; V798-V816 HydrophobicContact CG2-CG1 4.41Å; V798-V816 HydrophobicContact CG2-CG2 4.27Å; F814-V816 HydrophobicContact CD2-CG2 3.97Å; F814-V816 HydrophobicContact CE2-CG2 3.76Å; V816-V826 HydrophobicContact CG1-CG1 4.2Å; V816-I828 HydrophobicContact CG2-CD1 3.97Å; V816-F850 HydrophobicContact CB-CB 4.34Å; V816-F850 PolarHBondContact N-O 3.18Å; V816-F850 PolarHBondContact O-N 3.22Å; V816-V867 HydrophobicContact CG1-CG1 3.79Å; V816-V867 HydrophobicContact CG2-CG1 4.28Å; V816-V867 HydrophobicContact CG2-CG2 4.19Å |
| 817 | D | 87.1 | Confident | 77.9 | Confident | 16 Ų | 16 | 55 Ų | 55 | 9% | 0.086 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 109.3 | -179.8 | 170.4 | 27.2 | 0 | 0 | 0 | 110.7 | V796 R797 F799 K819 T849 | V796-D817 CarbonylContact C-O 3.56Å; V796-D817 WeakPolarHBondContact CA-O 3.39Å; R797-D817 HydrophobicContact CB-CB 4.22Å; R797-D817 IonicContact CZ-OD2 2.65Å; R797-D817 PolarHBondContact N-O 2.92Å; R797-D817 IonicContact NH1-OD2 2.7Å; R797-D817 PolarHBondContact NH1-OD2 2.77Å; R797-D817 PolarHBondContact O-N 2.89Å; F799-D817 HydrophobicContact CE1-CB 3.7Å; F799-D817 HydrophobicContact CZ-CB 4.34Å; D817-K819 WeakPolarHBondContact OD1-CB 3.46Å; D817-K819 WeakPolarHBondContact OD1-CE 3.22Å; D817-K819 PolarHBondContact OD1-N 2.88Å; D817-T849 VanDerWaalsContact CA-CG2 3.49Å; D817-T849 HydrophobicContact CB-CG2 3.66Å |
| 818 | C | 85.1 | Confident | 78.6 | Confident | 8 Ų | 8 | 54.8 Ų | 54.8 | 5% | 0.054 | 30% | 0.298 | C | S | . | . | trans | -107 | 6 | -179.2 | -57 | 0 | 0 | 0 | 0 | 112.7 | V796 Q820 A821 V826 G848 F869 | V796-C818 HydrophobicContact CG2-CB 4.38Å; C818-Q820 PolarHBondContact O-N 2.81Å; C818-A821 HydrophobicContact CB-CB 4.34Å; C818-A821 WeakPolarHBondContact O-CB 3.37Å; C818-A821 PolarHBondContact O-N 3.43Å; C818-V826 VanDerWaalsContact SG-CG2 3.5Å; C818-G848 CarbonylContact C-O 3.53Å; C818-G848 WeakPolarHBondContact CA-O 3.37Å; C818-G848 WeakPolarHBondContact CB-O 3.49Å; C818-G848 PolarHBondContact N-O 3.43Å; C818-F869 HydrophobicContact CB-CE2 4.27Å | ||
| 819 | K | 78.3 | Confident | 79.3 | Confident | 105 Ų | 105 | 50.7 Ų | 50.7 | 46% | 0.457 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -26 | -172.7 | -82.2 | 165.4 | -132.1 | -163.9 | 0 | 116.1 | D817 D847 G848 T849 | D817-K819 WeakPolarHBondContact OD1-CB 3.46Å; D817-K819 WeakPolarHBondContact OD1-CE 3.22Å; D817-K819 PolarHBondContact OD1-N 2.88Å; K819-D847 WeakPolarHBondContact CD-O 3.25Å; K819-D847 VanDerWaalsContact CE-O 3.26Å; K819-D847 WeakPolarHBondContact CE-O 3.3Å; K819-D847 WeakPolarHBondContact CE-OD2 3.33Å; K819-D847 WeakPolarHBondContact CG-O 3.46Å; K819-D847 VanDerWaalsContact NZ-CG 3.29Å; K819-D847 IonicContact NZ-OD1 2.7Å; K819-D847 IonicContact NZ-OD2 3.78Å; K819-D847 PolarHBondContact NZ-OD2 2.94Å; K819-G848 PolarHBondContact N-O 3.4Å; K819-T849 WeakPolarHBondContact CE-OG1 3.15Å; K819-T849 PolarHBondContact NZ-OG1 3.09Å |
| 820 | Q | 71.3 | Confident | 80.1 | Confident | 125 Ų | 125 | 48.8 Ų | 48.8 | 58% | 0.584 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110 | 2.7 | -179.5 | -51.2 | -170.9 | 9.8 | 0 | 0 | 112.9 | K795 C818 | K795-Q820 HydrophobicContact CB-CB 4.18Å; K795-Q820 HydrophobicContact CD-CB 3.87Å; K795-Q820 WeakPolarHBondContact CD-O 3.46Å; C818-Q820 PolarHBondContact O-N 2.81Å |
| 821 | A | 67 | Low | 80.7 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -89.5 | -1.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S791 N792 K795 V796 C818 F869 | S791-A821 CarbonylContact C-O 3.57Å; S791-A821 VanDerWaalsContact CA-O 3.31Å; S791-A821 WeakPolarHBondContact CA-O 3.26Å; N792-A821 PolarHBondContact N-O 2.98Å; N792-A821 WeakPolarHBondContact O-CB 3.33Å; K795-A821 HydrophobicContact CB-CB 4.39Å; V796-A821 HydrophobicContact CG2-CB 3.53Å; C818-A821 HydrophobicContact CB-CB 4.34Å; C818-A821 WeakPolarHBondContact O-CB 3.37Å; C818-A821 PolarHBondContact O-N 3.43Å; A821-F869 HydrophobicContact CB-CD1 4.22Å; A821-F869 HydrophobicContact CB-CE1 3.67Å; A821-F869 HydrophobicContact CB-CE2 4.44Å; A821-F869 HydrophobicContact CB-CZ 3.79Å; A821-F869 VanDerWaalsContact O-CE1 3.27Å; A821-F869 WeakPolarHBondContact O-CE1 3.3Å |
| 822 | G | 61.6 | Low | 80.7 | Confident | 22 Ų | 22 | 41.4 Ų | 41.4 | 23% | 0.227 | 22% | 0.224 | C | C | . | . | trans | 70.9 | -156.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 823 | H | 57.9 | Low | 80.2 | Confident | 137 Ų | 137 | 45.5 Ų | 45.5 | 63% | 0.634 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -104.1 | 125.1 | -171 | -46.1 | -111.4 | 0 | 0 | 0 | 110.6 | A788 E789 S791 | A788-H823 HydrophobicContact CB-CB 4.07Å; A788-H823 VanDerWaalsContact CB-CD2 3.41Å; A788-H823 WeakPolarHBondContact CB-CD2 3.25Å; E789-H823 PolarHBondContact N-CD2 3.06Å; E789-H823 PolarHBondContact O-CD2 2.91Å; S791-H823 WeakPolarHBondContact CB-O 3.44Å |
| 824 | G | 62.8 | Low | 79.4 | Confident | 27 Ų | 27 | 43.5 Ų | 43.5 | 28% | 0.278 | 25% | 0.249 | S | C | . | . | trans | -178.7 | 157.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V826 F869 | G824-V826 PolarHBondContact O-N 2.88Å; G824-F869 WeakPolarHBondContact O-CE2 3.42Å | ||
| 825 | N | 69.4 | Low | 78.6 | Confident | 131 Ų | 131 | 46 Ų | 46 | 70% | 0.701 | 28% | 0.275 | S | S | * | . | trans | -71.9 | 128.3 | -178 | -76.2 | 3.8 | 0 | 0 | 0 | 111.1 | F869 N870 | N825-F869 CarbonylContact O-C 3.58Å; N825-F869 WeakPolarHBondContact O-CA 3.35Å; N825-N870 PolarHBondContact N-OD1 3.36Å; N825-N870 PolarHBondContact O-N 2.95Å | ||
| 826 | V | 76.9 | Confident | 78 | Confident | 33 Ų | 33 | 52 Ų | 52 | 20% | 0.2 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 124.1 | 167.4 | -178.5 | 0 | 0 | 0 | 0 | 108.8 | V816 C818 G824 I828 F850 V867 F868 F869 | V816-V826 HydrophobicContact CG1-CG1 4.2Å; C818-V826 VanDerWaalsContact SG-CG2 3.5Å; G824-V826 PolarHBondContact O-N 2.88Å; V826-I828 HydrophobicContact CG1-CD1 3.79Å; V826-I828 HydrophobicContact CG1-CG1 3.65Å; V826-F850 HydrophobicContact CB-CD2 4.37Å; V826-F850 HydrophobicContact CB-CE2 4.27Å; V826-F850 HydrophobicContact CG2-CD2 3.78Å; V826-F850 HydrophobicContact CG2-CE2 3.49Å; V826-F850 VanDerWaalsContact CG2-CE2 3.49Å; V826-F850 HydrophobicContact CG2-CZ 4.12Å; V826-V867 HydrophobicContact CG1-CG1 4.39Å; V826-F868 WeakPolarHBondContact CA-O 3.43Å; V826-F869 HydrophobicContact CG2-CD2 3.77Å; V826-F869 HydrophobicContact CG2-CE2 4.07Å |
| 827 | G | 84.6 | Confident | 77.5 | Confident | 31 Ų | 31 | 58.4 Ų | 58.4 | 32% | 0.32 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 134.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | V867 F868 | G827-V867 CarbonylContact O-C 3.43Å; G827-V867 WeakPolarHBondContact O-CA 3.07Å; G827-F868 PolarHBondContact N-O 2.9Å; G827-F868 PolarHBondContact O-N 3.44Å |
| 828 | I | 90 | Very high | 77.2 | Confident | 32 Ų | 32 | 58.6 Ų | 58.6 | 16% | 0.164 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 140.8 | -176.8 | -49.7 | -173.8 | 0 | 0 | 0 | 108.4 | F814 V816 V826 M840 T842 V852 Q866 V867 | F814-I828 HydrophobicContact CE2-CG2 4.32Å; F814-I828 HydrophobicContact CZ-CG2 3.92Å; V816-I828 HydrophobicContact CG2-CD1 3.97Å; V826-I828 HydrophobicContact CG1-CD1 3.79Å; V826-I828 HydrophobicContact CG1-CG1 3.65Å; I828-M840 HydrophobicContact CG2-SD 4.24Å; I828-M840 VanDerWaalsContact O-CE 3.3Å; I828-M840 WeakPolarHBondContact O-CE 3.44Å; I828-T842 HydrophobicContact CD1-CG2 4.42Å; I828-V852 HydrophobicContact CD1-CG2 3.39Å; I828-V852 HydrophobicContact CG2-CG2 4.3Å; I828-Q866 WeakPolarHBondContact CA-O 3.43Å; I828-V867 HydrophobicContact CG2-CG2 4.35Å |
| 829 | S | 89.1 | Confident | 76.9 | Confident | 22 Ų | 22 | 62.8 Ų | 62.8 | 15% | 0.154 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 149.3 | 165.4 | 70.2 | 0 | 0 | 0 | 0 | 111.2 | V865 Q866 | S829-V865 CarbonylContact O-C 3.58Å; S829-V865 WeakPolarHBondContact O-CA 3.39Å; S829-Q866 PolarHBondContact N-O 3.36Å; S829-Q866 PolarHBondContact O-N 2.75Å |
| 830 | V | 89.8 | Confident | 77.2 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.006 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 125.1 | 169.9 | -175 | 0 | 0 | 0 | 0 | 107.2 | F814 V838 M840 Y854 Y863 T864 V865 | F814-V830 HydrophobicContact CE1-CG2 4.24Å; F814-V830 HydrophobicContact CZ-CG2 4.46Å; V830-V838 HydrophobicContact CB-CB 4.15Å; V830-V838 HydrophobicContact CG1-CB 3.94Å; V830-V838 HydrophobicContact CG1-CG1 4.25Å; V830-V838 HydrophobicContact CG1-CG2 4.31Å; V830-V838 WeakPolarHBondContact O-CB 3.17Å; V830-V838 PolarHBondContact O-N 3.05Å; V830-M840 HydrophobicContact CB-SD 4.32Å; V830-M840 HydrophobicContact CG2-CB 4.4Å; V830-M840 HydrophobicContact CG2-SD 3.84Å; V830-Y854 HydrophobicContact CG1-CD2 4.08Å; V830-Y854 HydrophobicContact CG1-CE1 4.46Å; V830-Y854 HydrophobicContact CG1-CE2 4.03Å; V830-Y854 HydrophobicContact CG1-CG 4.31Å; V830-Y854 HydrophobicContact CG2-CD1 4.38Å; V830-Y863 HydrophobicContact CG1-CD1 4.08Å; V830-T864 CarbonylContact C-O 3.55Å; V830-T864 WeakPolarHBondContact CA-O 3.42Å; V830-V865 HydrophobicContact CG1-CG2 4.22Å; V830-V865 HydrophobicContact CG2-CG1 4.37Å; V830-V865 HydrophobicContact CG2-CG2 4.11Å |
| 831 | T | 86.4 | Confident | 77.7 | Confident | 22 Ų | 22 | 59 Ų | 59 | 14% | 0.135 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 147.5 | -179.3 | 49.7 | 0 | 0 | 0 | 0 | 111.8 | R836 T864 | T831-R836 CarbonylContact C-O 3.59Å; T831-R836 VanDerWaalsContact CA-O 3.27Å; T831-R836 WeakPolarHBondContact CA-O 3.5Å; T831-T864 PolarHBondContact N-O 2.68Å; T831-T864 PolarHBondContact O-N 2.86Å; T831-T864 PolarHBondContact OG1-O 3.22Å |
| 832 | D | 83.8 | Confident | 78.5 | Confident | 9 Ų | 9 | 61.6 Ų | 61.6 | 5% | 0.048 | 37% | 0.37 | C | S | . | . | trans | -80.7 | 176.7 | 171.8 | 88.5 | -13.3 | 0 | 0 | 0 | 112.4 | A834 G835 R836 V838 T858 Y863 | D832-A834 PolarHBondContact O-N 2.91Å; D832-A834 VanDerWaalsContact O-N 3.1Å; D832-A834 WeakPolarHBondContact OD1-CA 3.34Å; D832-A834 WeakPolarHBondContact OD1-CB 3.22Å; D832-A834 PolarHBondContact OD1-N 3.46Å; D832-G835 PolarHBondContact O-N 3.04Å; D832-R836 PolarHBondContact N-O 3.27Å; D832-R836 PolarHBondContact OD1-N 3.19Å; D832-R836 IonicContact OD1-NE 3.74Å; D832-R836 PolarHBondContact OD1-NE 3.1Å; D832-R836 IonicContact OD1-NH2 2.74Å; D832-R836 IonicContact OD2-CZ 3.08Å; D832-R836 IonicContact OD2-NE 2.84Å; D832-R836 PolarHBondContact OD2-NE 2.75Å; D832-R836 IonicContact OD2-NH2 3.2Å; D832-R836 PolarHBondContact OD2-NH2 2.82Å; D832-V838 HydrophobicContact CB-CG2 4.16Å; D832-T858 WeakPolarHBondContact CB-OG1 3.39Å; D832-T858 WeakPolarHBondContact OD2-CB 3.4Å; D832-T858 PolarHBondContact OD2-OG1 2.9Å; D832-Y863 HydrophobicContact CB-CE2 4.31Å | ||
| 833 | E | 76.5 | Confident | 79.3 | Confident | 101 Ų | 101 | 62.7 Ų | 62.7 | 47% | 0.472 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -20.9 | -178.1 | 179.2 | 165.3 | -129 | 0 | 0 | 113.8 | G835 P861 Y862 | E833-G835 VanDerWaalsContact C-N 3.3Å; E833-P861 WeakPolarHBondContact OE2-CD 3.38Å; E833-Y862 HydrophobicContact CB-CE2 4.36Å; E833-Y862 HydrophobicContact CG-CE2 3.99Å; E833-Y862 VanDerWaalsContact OE1-CE2 3.28Å; E833-Y862 WeakPolarHBondContact OE1-CE2 3.17Å; E833-Y862 PolarHBondContact OE1-OH 3.38Å |
| 834 | A | 75.7 | Confident | 80.4 | Confident | 69 Ų | 69 | 60 Ų | 60 | 57% | 0.57 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | 5.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | D832 R836 | D832-A834 PolarHBondContact O-N 2.91Å; D832-A834 VanDerWaalsContact O-N 3.1Å; D832-A834 WeakPolarHBondContact OD1-CA 3.34Å; D832-A834 WeakPolarHBondContact OD1-CB 3.22Å; D832-A834 PolarHBondContact OD1-N 3.46Å; A834-R836 VanDerWaalsContact C-N 3.3Å; A834-R836 HydrophobicContact CB-CG 4.37Å; A834-R836 PolarHBondContact O-N 2.92Å |
| 835 | G | 76.2 | Confident | 81 | Confident | 54 Ų | 54 | 63.5 Ų | 63.5 | 56% | 0.557 | 37% | 0.369 | S | S | * | . | S | Bend | trans | 71.9 | 22.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D832 E833 | D832-G835 PolarHBondContact O-N 3.04Å; E833-G835 VanDerWaalsContact C-N 3.3Å |
| 836 | R | 77.4 | Confident | 80.7 | Confident | 147 Ų | 147 | 64.1 Ų | 64.1 | 56% | 0.555 | 36% | 0.362 | S | S | * | . | trans | -91.7 | 137.6 | 175.8 | -61.4 | 173.1 | -66.1 | -161.1 | -2.2 | 109.8 | T831 D832 A834 | T831-R836 CarbonylContact C-O 3.59Å; T831-R836 VanDerWaalsContact CA-O 3.27Å; T831-R836 WeakPolarHBondContact CA-O 3.5Å; D832-R836 PolarHBondContact N-O 3.27Å; D832-R836 PolarHBondContact OD1-N 3.19Å; D832-R836 IonicContact OD1-NE 3.74Å; D832-R836 PolarHBondContact OD1-NE 3.1Å; D832-R836 IonicContact OD1-NH2 2.74Å; D832-R836 IonicContact OD2-CZ 3.08Å; D832-R836 IonicContact OD2-NE 2.84Å; D832-R836 PolarHBondContact OD2-NE 2.75Å; D832-R836 IonicContact OD2-NH2 3.2Å; D832-R836 PolarHBondContact OD2-NH2 2.82Å; A834-R836 VanDerWaalsContact C-N 3.3Å; A834-R836 HydrophobicContact CB-CG 4.37Å; A834-R836 PolarHBondContact O-N 2.92Å | ||
| 837 | D | 81.2 | Confident | 80.6 | Confident | 133 Ų | 133 | 66.6 Ų | 66.6 | 71% | 0.711 | 37% | 0.374 | S | S | * | . | B | Isolated β-bridge | trans | -61.5 | 138.1 | 177.1 | -62.2 | -54.8 | 0 | 0 | 0 | 111.7 | ||
| 838 | V | 80.6 | Confident | 79.8 | Confident | 21 Ų | 21 | 66.4 Ų | 66.4 | 13% | 0.127 | 37% | 0.372 | C | S | . | . | trans | -105.7 | 124.8 | 178.5 | 175.6 | 0 | 0 | 0 | 0 | 107.2 | V830 D832 M840 Y854 Y863 | V830-V838 HydrophobicContact CB-CB 4.15Å; V830-V838 HydrophobicContact CG1-CB 3.94Å; V830-V838 HydrophobicContact CG1-CG1 4.25Å; V830-V838 HydrophobicContact CG1-CG2 4.31Å; V830-V838 WeakPolarHBondContact O-CB 3.17Å; V830-V838 PolarHBondContact O-N 3.05Å; D832-V838 HydrophobicContact CB-CG2 4.16Å; V838-M840 PolarHBondContact O-N 2.89Å; V838-Y854 HydrophobicContact CG1-CD2 4.16Å; V838-Y863 HydrophobicContact CB-CE1 4.37Å; V838-Y863 HydrophobicContact CG1-CD1 4.43Å; V838-Y863 HydrophobicContact CG1-CE1 3.91Å; V838-Y863 HydrophobicContact CG2-CD1 3.95Å; V838-Y863 HydrophobicContact CG2-CE1 3.61Å | ||
| 839 | A | 78.8 | Confident | 79.4 | Confident | 96 Ų | 96 | 65.5 Ų | 65.5 | 79% | 0.793 | 37% | 0.368 | S | S | * | . | trans | -55.2 | 124.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 840 | M | 84.5 | Confident | 79.2 | Confident | 77 Ų | 77 | 66.5 Ų | 66.5 | 38% | 0.379 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 138.7 | -176.8 | 64.7 | -164 | 166.6 | 0 | 0 | 108.8 | I828 V830 V838 V852 A853 | I828-M840 HydrophobicContact CG2-SD 4.24Å; I828-M840 VanDerWaalsContact O-CE 3.3Å; I828-M840 WeakPolarHBondContact O-CE 3.44Å; V830-M840 HydrophobicContact CB-SD 4.32Å; V830-M840 HydrophobicContact CG2-CB 4.4Å; V830-M840 HydrophobicContact CG2-SD 3.84Å; V838-M840 PolarHBondContact O-N 2.89Å; M840-V852 HydrophobicContact CB-CG1 4.1Å; M840-A853 CarbonylContact C-O 3.59Å; M840-A853 VanDerWaalsContact CA-O 3.3Å; M840-A853 WeakPolarHBondContact CA-O 3.44Å |
| 841 | D | 81.3 | Confident | 79.2 | Confident | 74 Ų | 74 | 69.7 Ų | 69.7 | 40% | 0.396 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 143.6 | 172.2 | 168.3 | 28.6 | 0 | 0 | 0 | 108.1 | V852 A853 | D841-V852 CarbonylContact O-C 3.48Å; D841-V852 VanDerWaalsContact O-CA 3.23Å; D841-V852 WeakPolarHBondContact O-CA 3.46Å; D841-V852 WeakPolarHBondContact O-CG1 3.34Å; D841-A853 HydrophobicContact CB-CB 4.31Å; D841-A853 PolarHBondContact N-O 2.87Å; D841-A853 PolarHBondContact O-N 3.15Å |
| 842 | T | 84 | Confident | 79.3 | Confident | 55 Ų | 55 | 68.6 Ų | 68.6 | 34% | 0.337 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 97.2 | -174.4 | -61.7 | 0 | 0 | 0 | 0 | 111 | I828 F850 V852 | I828-T842 HydrophobicContact CD1-CG2 4.42Å; T842-F850 HydrophobicContact CG2-CB 4.41Å; T842-V852 HydrophobicContact CG2-CG2 4.13Å |
| 843 | Q | 78.6 | Confident | 79.5 | Confident | 44 Ų | 44 | 69.5 Ų | 69.5 | 21% | 0.206 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 121.3 | 172 | -65.3 | -175.3 | -53.2 | 0 | 0 | 110.1 | F850 K851 | Q843-F850 CarbonylContact O-C 3.44Å; Q843-F850 WeakPolarHBondContact O-CA 3.36Å; Q843-K851 HydrophobicContact CB-CB 4.43Å; Q843-K851 PolarHBondContact N-O 3.07Å; Q843-K851 PolarHBondContact O-N 2.95Å |
| 844 | D | 80.1 | Confident | 80.2 | Confident | 81 Ų | 81 | 65 Ų | 65 | 43% | 0.433 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 123 | 159.8 | -171.2 | -16.7 | 0 | 0 | 0 | 108.4 | R846 F850 | D844-R846 PolarHBondContact O-N 3.04Å; D844-R846 WeakPolarHBondContact OD1-CA 3.27Å; D844-R846 PolarHBondContact OD1-N 2.83Å; D844-F850 HydrophobicContact CB-CD1 3.86Å; D844-F850 HydrophobicContact CB-CE1 3.75Å; D844-F850 VanDerWaalsContact OD2-CE1 3.3Å; D844-F850 WeakPolarHBondContact OD2-CE1 3.28Å |
| 845 | M | 76.1 | Confident | 80.6 | Confident | 100 Ų | 100 | 63.7 Ų | 63.7 | 49% | 0.493 | 35% | 0.349 | S | S | . | . | trans | -80.9 | 1.2 | 178.8 | -56 | -67.2 | -55.5 | 0 | 0 | 112.3 | D847 T849 K851 | M845-D847 WeakPolarHBondContact CB-OD1 3.49Å; M845-D847 PolarHBondContact O-N 3.36Å; M845-T849 WeakPolarHBondContact CB-O 3.42Å; M845-T849 VanDerWaalsContact CG-O 3.3Å; M845-T849 WeakPolarHBondContact CG-O 3.3Å; M845-T849 PolarHBondContact N-O 2.79Å; M845-K851 HydrophobicContact CG-CB 4.33Å; M845-K851 HydrophobicContact SD-CB 4.01Å; M845-K851 HydrophobicContact SD-CD 4.23Å | ||
| 846 | R | 62.3 | Low | 80.8 | Confident | 144 Ų | 144 | 61.1 Ų | 61.1 | 54% | 0.543 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 57.1 | 3.5 | -178.6 | -55.6 | -165.7 | -164.4 | 147.9 | 13.4 | 116.5 | D844 E1247 D1277 | D844-R846 PolarHBondContact O-N 3.04Å; D844-R846 WeakPolarHBondContact OD1-CA 3.27Å; D844-R846 PolarHBondContact OD1-N 2.83Å; R846-E1247 IonicContact CZ-OE1 2.74Å; R846-E1247 IonicContact CZ-OE2 2.61Å; R846-E1247 IonicContact NH1-OE1 3.2Å; R846-E1247 PolarHBondContact NH1-OE1 2.89Å; R846-E1247 IonicContact NH1-OE2 2.89Å; R846-E1247 PolarHBondContact NH1-OE2 3.42Å; R846-E1247 IonicContact NH2-OE2 2.88Å; R846-E1247 PolarHBondContact NH2-OE2 2.99Å; R846-D1277 IonicContact NH2-OD2 2.77Å; R846-D1277 PolarHBondContact NH2-OD2 3.15Å |
| 847 | D | 74.8 | Confident | 80.8 | Confident | 86 Ų | 86 | 58.8 Ų | 58.8 | 46% | 0.46 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -105.1 | 16.3 | 172.5 | 76 | -18.6 | 0 | 0 | 0 | 112.2 | K819 M845 T849 | K819-D847 WeakPolarHBondContact CD-O 3.25Å; K819-D847 VanDerWaalsContact CE-O 3.26Å; K819-D847 WeakPolarHBondContact CE-O 3.3Å; K819-D847 WeakPolarHBondContact CE-OD2 3.33Å; K819-D847 WeakPolarHBondContact CG-O 3.46Å; K819-D847 VanDerWaalsContact NZ-CG 3.29Å; K819-D847 IonicContact NZ-OD1 2.7Å; K819-D847 IonicContact NZ-OD2 3.78Å; K819-D847 PolarHBondContact NZ-OD2 2.94Å; M845-D847 WeakPolarHBondContact CB-OD1 3.49Å; M845-D847 PolarHBondContact O-N 3.36Å; D847-T849 WeakPolarHBondContact OD1-CB 3.37Å; D847-T849 PolarHBondContact OD1-N 3.44Å; D847-T849 PolarHBondContact OD1-OG1 2.84Å; D847-T849 PolarHBondContact OD2-OG1 2.98Å |
| 848 | G | 69 | Low | 80.2 | Confident | 27 Ų | 27 | 54.7 Ų | 54.7 | 28% | 0.278 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 81.3 | 11.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | C818 K819 | C818-G848 CarbonylContact C-O 3.53Å; C818-G848 WeakPolarHBondContact CA-O 3.37Å; C818-G848 WeakPolarHBondContact CB-O 3.49Å; C818-G848 PolarHBondContact N-O 3.43Å; K819-G848 PolarHBondContact N-O 3.4Å |
| 849 | T | 80.2 | Confident | 79.1 | Confident | 12 Ų | 12 | 58.5 Ų | 58.5 | 7% | 0.074 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 139.2 | 164.2 | -4.5 | 0 | 0 | 0 | 0 | 111.8 | T815 D817 K819 M845 D847 | T815-T849 HydrophobicContact CG2-CG2 3.27Å; D817-T849 VanDerWaalsContact CA-CG2 3.49Å; D817-T849 HydrophobicContact CB-CG2 3.66Å; K819-T849 WeakPolarHBondContact CE-OG1 3.15Å; K819-T849 PolarHBondContact NZ-OG1 3.09Å; M845-T849 WeakPolarHBondContact CB-O 3.42Å; M845-T849 VanDerWaalsContact CG-O 3.3Å; M845-T849 WeakPolarHBondContact CG-O 3.3Å; M845-T849 PolarHBondContact N-O 2.79Å; D847-T849 WeakPolarHBondContact OD1-CB 3.37Å; D847-T849 PolarHBondContact OD1-N 3.44Å; D847-T849 PolarHBondContact OD1-OG1 2.84Å; D847-T849 PolarHBondContact OD2-OG1 2.98Å |
| 850 | F | 86.6 | Confident | 78.4 | Confident | 43 Ų | 43 | 55.1 Ų | 55.1 | 19% | 0.189 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 132.5 | 168.4 | -58.4 | -95.1 | 0 | 0 | 0 | 109.4 | T815 V816 V826 T842 Q843 D844 | T815-F850 CarbonylContact C-O 3.59Å; T815-F850 VanDerWaalsContact CA-O 3.3Å; T815-F850 WeakPolarHBondContact CA-O 3.28Å; V816-F850 HydrophobicContact CB-CB 4.34Å; V816-F850 PolarHBondContact N-O 3.18Å; V816-F850 PolarHBondContact O-N 3.22Å; V826-F850 HydrophobicContact CB-CD2 4.37Å; V826-F850 HydrophobicContact CB-CE2 4.27Å; V826-F850 HydrophobicContact CG2-CD2 3.78Å; V826-F850 HydrophobicContact CG2-CE2 3.49Å; V826-F850 VanDerWaalsContact CG2-CE2 3.49Å; V826-F850 HydrophobicContact CG2-CZ 4.12Å; T842-F850 HydrophobicContact CG2-CB 4.41Å; Q843-F850 CarbonylContact O-C 3.44Å; Q843-F850 WeakPolarHBondContact O-CA 3.36Å; D844-F850 HydrophobicContact CB-CD1 3.86Å; D844-F850 HydrophobicContact CB-CE1 3.75Å; D844-F850 VanDerWaalsContact OD2-CE1 3.3Å; D844-F850 WeakPolarHBondContact OD2-CE1 3.28Å |
| 851 | K | 88.6 | Confident | 77.8 | Confident | 68 Ų | 68 | 54.8 Ų | 54.8 | 30% | 0.296 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 110.4 | 179 | 176.9 | -174.6 | 157.1 | -134.8 | 0 | 108.7 | Y813 F814 Q843 M845 | Y813-K851 HydrophobicContact CD2-CG 4.2Å; F814-K851 CarbonylContact O-C 3.59Å; F814-K851 WeakPolarHBondContact O-CA 3.35Å; Q843-K851 HydrophobicContact CB-CB 4.43Å; Q843-K851 PolarHBondContact N-O 3.07Å; Q843-K851 PolarHBondContact O-N 2.95Å; M845-K851 HydrophobicContact CG-CB 4.33Å; M845-K851 HydrophobicContact SD-CB 4.01Å; M845-K851 HydrophobicContact SD-CD 4.23Å |
| 852 | V | 89 | Confident | 77.8 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 122.2 | -175.9 | -173.5 | 0 | 0 | 0 | 0 | 109.5 | Y813 F814 I828 M840 D841 T842 | Y813-V852 CarbonylContact C-O 3.58Å; Y813-V852 WeakPolarHBondContact CA-O 3.43Å; Y813-V852 WeakPolarHBondContact CB-O 3.45Å; F814-V852 HydrophobicContact CD1-CB 4.14Å; F814-V852 HydrophobicContact CD1-CG1 4.44Å; F814-V852 HydrophobicContact CD2-CB 4.09Å; F814-V852 HydrophobicContact CD2-CG2 4.22Å; F814-V852 HydrophobicContact CE1-CB 3.75Å; F814-V852 HydrophobicContact CE1-CG1 3.67Å; F814-V852 HydrophobicContact CE2-CB 3.71Å; F814-V852 HydrophobicContact CE2-CG1 4.25Å; F814-V852 HydrophobicContact CE2-CG2 3.62Å; F814-V852 HydrophobicContact CG-CB 4.31Å; F814-V852 HydrophobicContact CZ-CB 3.52Å; F814-V852 HydrophobicContact CZ-CG1 3.55Å; F814-V852 HydrophobicContact CZ-CG2 3.79Å; F814-V852 PolarHBondContact N-O 2.82Å; F814-V852 PolarHBondContact O-N 3.35Å; I828-V852 HydrophobicContact CD1-CG2 3.39Å; I828-V852 HydrophobicContact CG2-CG2 4.3Å; M840-V852 HydrophobicContact CB-CG1 4.1Å; D841-V852 CarbonylContact O-C 3.48Å; D841-V852 VanDerWaalsContact O-CA 3.23Å; D841-V852 WeakPolarHBondContact O-CA 3.46Å; D841-V852 WeakPolarHBondContact O-CG1 3.34Å; T842-V852 HydrophobicContact CG2-CG2 4.13Å |
| 853 | A | 87.9 | Confident | 78 | Confident | 28 Ų | 28 | 52.9 Ų | 52.9 | 23% | 0.231 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 143.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | T812 M840 D841 | T812-A853 CarbonylContact O-C 3.59Å; T812-A853 VanDerWaalsContact O-CA 3.24Å; T812-A853 WeakPolarHBondContact O-CA 3.39Å; M840-A853 CarbonylContact C-O 3.59Å; M840-A853 VanDerWaalsContact CA-O 3.3Å; M840-A853 WeakPolarHBondContact CA-O 3.44Å; D841-A853 HydrophobicContact CB-CB 4.31Å; D841-A853 PolarHBondContact N-O 2.87Å; D841-A853 PolarHBondContact O-N 3.15Å |
| 854 | Y | 91 | Very high | 78.5 | Confident | 6 Ų | 6 | 52 Ų | 52 | 2% | 0.024 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 167.6 | 172.5 | 76.4 | -87.9 | 0 | 0 | 0 | 111.5 | G802 T812 F814 V830 V838 A856 Y863 | G802-Y854 WeakPolarHBondContact O-CE1 3.38Å; G802-Y854 PolarHBondContact O-OH 3.04Å; G802-Y854 VanDerWaalsContact O-OH 3.11Å; T812-Y854 HydrophobicContact CG2-CD1 3.88Å; T812-Y854 HydrophobicContact CG2-CD2 4.38Å; T812-Y854 HydrophobicContact CG2-CE1 3.68Å; T812-Y854 HydrophobicContact CG2-CE2 4.2Å; T812-Y854 HydrophobicContact CG2-CG 4.24Å; T812-Y854 WeakPolarHBondContact CG2-O 3.4Å; T812-Y854 PolarHBondContact N-O 2.59Å; T812-Y854 PolarHBondContact O-N 2.79Å; F814-Y854 HydrophobicContact CD1-CD1 4.31Å; F814-Y854 HydrophobicContact CD1-CE1 4.09Å; F814-Y854 HydrophobicContact CE1-CD1 4.09Å; F814-Y854 HydrophobicContact CE1-CE1 4.04Å; V830-Y854 HydrophobicContact CG1-CD2 4.08Å; V830-Y854 HydrophobicContact CG1-CE1 4.46Å; V830-Y854 HydrophobicContact CG1-CE2 4.03Å; V830-Y854 HydrophobicContact CG1-CG 4.31Å; V830-Y854 HydrophobicContact CG2-CD1 4.38Å; V838-Y854 HydrophobicContact CG1-CD2 4.16Å; Y854-A856 HydrophobicContact CE2-CB 4.42Å; Y854-Y863 HydrophobicContact CD2-CD1 4.27Å; Y854-Y863 HydrophobicContact CD2-CE1 4.45Å; Y854-Y863 AromaticContact CE2-CD1 3.63Å; Y854-Y863 HydrophobicContact CE2-CD1 3.63Å; Y854-Y863 HydrophobicContact CE2-CE1 4.14Å; Y854-Y863 HydrophobicContact CE2-CG 4.48Å |
| 855 | T | 85 | Confident | 79.1 | Confident | 41 Ų | 41 | 48.1 Ų | 48.1 | 25% | 0.252 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 121.3 | 176.3 | -55.2 | 0 | 0 | 0 | 0 | 111 | N857 | T855-N857 WeakPolarHBondContact CG2-OD1 3.11Å; T855-N857 PolarHBondContact O-N 2.7Å |
| 856 | A | 80.8 | Confident | 79.8 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -76.8 | 91.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V806 R808 G809 Y854 Y863 V883 | V806-A856 HydrophobicContact CG1-CB 3.72Å; R808-A856 CarbonylContact C-O 3.54Å; R808-A856 WeakPolarHBondContact CA-O 3.39Å; R808-A856 VanDerWaalsContact CG-O 3.25Å; R808-A856 WeakPolarHBondContact CG-O 3.24Å; G809-A856 PolarHBondContact N-O 2.78Å; Y854-A856 HydrophobicContact CE2-CB 4.42Å; A856-Y863 WeakPolarHBondContact CA-OH 3.47Å; A856-Y863 HydrophobicContact CB-CD1 4.35Å; A856-Y863 HydrophobicContact CB-CE1 3.82Å; A856-Y863 HydrophobicContact CB-CE2 4.16Å; A856-V883 HydrophobicContact CB-CG1 4.08Å; A856-V883 HydrophobicContact CB-CG2 4.15Å | ||
| 857 | N | 77.4 | Confident | 81.2 | Confident | 98 Ų | 98 | 39.2 Ų | 39.2 | 52% | 0.524 | 23% | 0.227 | S | C | . | . | trans | -95.9 | -45 | -174.3 | -75 | -38.2 | 0 | 0 | 0 | 113.9 | R808 T855 Y863 | R808-N857 PolarHBondContact NE-O 3.33Å; R808-N857 PolarHBondContact NH2-O 2.93Å; T855-N857 WeakPolarHBondContact CG2-OD1 3.11Å; T855-N857 PolarHBondContact O-N 2.7Å; N857-Y863 PolarHBondContact N-OH 2.88Å | ||
| 858 | T | 67.9 | Low | 81.6 | Confident | 47 Ų | 47 | 38.1 Ų | 38.1 | 29% | 0.288 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -69.5 | 141.8 | 177.3 | 59.7 | 0 | 0 | 0 | 0 | 111 | D832 Y863 | D832-T858 WeakPolarHBondContact CB-OG1 3.39Å; D832-T858 WeakPolarHBondContact OD2-CB 3.4Å; D832-T858 PolarHBondContact OD2-OG1 2.9Å; T858-Y863 PolarHBondContact N-OH 3.24Å; T858-Y863 PolarHBondContact O-OH 2.75Å; T858-Y863 PolarHBondContact OG1-OH 2.7Å |
| 859 | P | 57.2 | Low | 82.3 | Confident | 101 Ų | 101 | 37 Ų | 37 | 66% | 0.656 | 21% | 0.205 | S | C | * | . | trans | -75.8 | 127.1 | 179.2 | 30.5 | -33.2 | 0 | 0 | 0 | 111.1 | ||||
| 860 | G | 64.8 | Low | 82 | Confident | 25 Ų | 25 | 40 Ų | 40 | 26% | 0.258 | 22% | 0.221 | S | C | . | . | trans | -171.6 | 163.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 861 | P | 72.3 | Confident | 81.3 | Confident | 70 Ų | 70 | 45.4 Ų | 45.4 | 46% | 0.455 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -77.9 | -28.2 | -179.1 | 31.4 | -32.8 | 0 | 0 | 0 | 113.1 | E833 P882 V883 | E833-P861 WeakPolarHBondContact OE2-CD 3.38Å; P861-P882 WeakPolarHBondContact O-CA 3.48Å; P861-V883 PolarHBondContact O-N 2.84Å; P861-V883 VanDerWaalsContact O-N 3.14Å |
| 862 | Y | 81.4 | Confident | 80.4 | Confident | 85 Ų | 85 | 48 Ų | 48 | 33% | 0.333 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 153 | 178.1 | 41.2 | -110.9 | 0 | 0 | 0 | 111.4 | E833 V881 | E833-Y862 HydrophobicContact CB-CE2 4.36Å; E833-Y862 HydrophobicContact CG-CE2 3.99Å; E833-Y862 VanDerWaalsContact OE1-CE2 3.28Å; E833-Y862 WeakPolarHBondContact OE1-CE2 3.17Å; E833-Y862 PolarHBondContact OE1-OH 3.38Å; Y862-V881 CarbonylContact C-O 3.56Å; Y862-V881 WeakPolarHBondContact CA-O 3.21Å |
| 863 | Y | 87.5 | Confident | 80 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 158.3 | 161.4 | -81.8 | -147.3 | 0 | 0 | 0 | 108.6 | V830 D832 V838 Y854 A856 N857 T858 K880 V881 V883 | V830-Y863 HydrophobicContact CG1-CD1 4.08Å; D832-Y863 HydrophobicContact CB-CE2 4.31Å; V838-Y863 HydrophobicContact CB-CE1 4.37Å; V838-Y863 HydrophobicContact CG1-CD1 4.43Å; V838-Y863 HydrophobicContact CG1-CE1 3.91Å; V838-Y863 HydrophobicContact CG2-CD1 3.95Å; V838-Y863 HydrophobicContact CG2-CE1 3.61Å; Y854-Y863 HydrophobicContact CD2-CD1 4.27Å; Y854-Y863 HydrophobicContact CD2-CE1 4.45Å; Y854-Y863 AromaticContact CE2-CD1 3.63Å; Y854-Y863 HydrophobicContact CE2-CD1 3.63Å; Y854-Y863 HydrophobicContact CE2-CE1 4.14Å; Y854-Y863 HydrophobicContact CE2-CG 4.48Å; A856-Y863 WeakPolarHBondContact CA-OH 3.47Å; A856-Y863 HydrophobicContact CB-CD1 4.35Å; A856-Y863 HydrophobicContact CB-CE1 3.82Å; A856-Y863 HydrophobicContact CB-CE2 4.16Å; N857-Y863 PolarHBondContact N-OH 2.88Å; T858-Y863 PolarHBondContact N-OH 3.24Å; T858-Y863 PolarHBondContact O-OH 2.75Å; T858-Y863 PolarHBondContact OG1-OH 2.7Å; Y863-K880 WeakPolarHBondContact O-CA 3.41Å; Y863-V881 PolarHBondContact N-O 3.33Å; Y863-V881 PolarHBondContact O-N 2.82Å; Y863-V883 HydrophobicContact CD2-CG2 3.79Å; Y863-V883 HydrophobicContact CE2-CG2 4.21Å; Y863-V883 HydrophobicContact CG-CG2 4.41Å |
| 864 | T | 89.3 | Confident | 79.9 | Confident | 26 Ų | 26 | 50.8 Ų | 50.8 | 16% | 0.16 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 125 | 175.6 | -51.6 | 0 | 0 | 0 | 0 | 109.9 | V830 T831 P878 F879 | V830-T864 CarbonylContact C-O 3.55Å; V830-T864 WeakPolarHBondContact CA-O 3.42Å; T831-T864 PolarHBondContact N-O 2.68Å; T831-T864 PolarHBondContact O-N 2.86Å; T831-T864 PolarHBondContact OG1-O 3.22Å; T864-P878 HydrophobicContact CG2-CB 3.67Å; T864-F879 WeakPolarHBondContact CA-O 3.48Å |
| 865 | V | 91.4 | Very high | 79 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 124.1 | 174.8 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | V803 F814 S829 V830 V867 P878 F879 V881 | V803-V865 HydrophobicContact CG1-CB 4.44Å; V803-V865 HydrophobicContact CG1-CG1 4.33Å; V803-V865 HydrophobicContact CG1-CG2 4.35Å; F814-V865 HydrophobicContact CE1-CG1 3.8Å; F814-V865 HydrophobicContact CE1-CG2 4.25Å; F814-V865 HydrophobicContact CE2-CG1 3.98Å; F814-V865 HydrophobicContact CZ-CG1 3.38Å; S829-V865 CarbonylContact O-C 3.58Å; S829-V865 WeakPolarHBondContact O-CA 3.39Å; V830-V865 HydrophobicContact CG1-CG2 4.22Å; V830-V865 HydrophobicContact CG2-CG1 4.37Å; V830-V865 HydrophobicContact CG2-CG2 4.11Å; V865-V867 HydrophobicContact CG1-CG2 4.32Å; V865-P878 CarbonylContact O-C 3.38Å; V865-P878 WeakPolarHBondContact O-CA 3.32Å; V865-F879 HydrophobicContact CB-CB 4.29Å; V865-F879 PolarHBondContact N-O 2.88Å; V865-F879 PolarHBondContact O-N 2.57Å; V865-V881 HydrophobicContact CG2-CG2 3.74Å |
| 866 | Q | 91.7 | Very high | 78.7 | Confident | 57 Ų | 57 | 62.1 Ų | 62.1 | 27% | 0.266 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 145.1 | 169.8 | -64.2 | -174.7 | -77.7 | 0 | 0 | 111 | I828 S829 F868 E873 S877 P878 | I828-Q866 WeakPolarHBondContact CA-O 3.43Å; S829-Q866 PolarHBondContact N-O 3.36Å; S829-Q866 PolarHBondContact O-N 2.75Å; Q866-F868 HydrophobicContact CB-CE2 3.72Å; Q866-F868 HydrophobicContact CB-CZ 4.15Å; Q866-E873 PolarHBondContact NE2-OE1 3.11Å; Q866-S877 VanDerWaalsContact CA-OG 3.29Å; Q866-S877 WeakPolarHBondContact CA-OG 3.48Å; Q866-P878 HydrophobicContact CG-CB 3.83Å; Q866-P878 HydrophobicContact CG-CG 4.04Å |
| 867 | V | 90.7 | Very high | 79 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 130.3 | 175.5 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | V798 F814 V816 V826 G827 I828 V865 V874 S877 | V798-V867 HydrophobicContact CG2-CB 4.17Å; V798-V867 HydrophobicContact CG2-CG1 4.22Å; V798-V867 HydrophobicContact CG2-CG2 3.99Å; F814-V867 HydrophobicContact CE2-CG2 4.38Å; V816-V867 HydrophobicContact CG1-CG1 3.79Å; V816-V867 HydrophobicContact CG2-CG1 4.28Å; V816-V867 HydrophobicContact CG2-CG2 4.19Å; V826-V867 HydrophobicContact CG1-CG1 4.39Å; G827-V867 CarbonylContact O-C 3.43Å; G827-V867 WeakPolarHBondContact O-CA 3.07Å; I828-V867 HydrophobicContact CG2-CG2 4.35Å; V865-V867 HydrophobicContact CG1-CG2 4.32Å; V867-V874 HydrophobicContact CB-CG2 3.66Å; V867-V874 HydrophobicContact CG1-CG1 4.02Å; V867-V874 HydrophobicContact CG1-CG2 3.69Å; V867-V874 WeakPolarHBondContact O-CG2 3.34Å; V867-V874 PolarHBondContact O-N 2.99Å; V867-S877 PolarHBondContact N-OG 3.15Å |
| 868 | F | 84.7 | Confident | 79.4 | Confident | 62 Ų | 62 | 61.3 Ų | 61.3 | 27% | 0.272 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 150 | 179.2 | -56.3 | -89.6 | 0 | 0 | 0 | 109.6 | V826 G827 Q866 Q872 E873 | V826-F868 WeakPolarHBondContact CA-O 3.43Å; G827-F868 PolarHBondContact N-O 2.9Å; G827-F868 PolarHBondContact O-N 3.44Å; Q866-F868 HydrophobicContact CB-CE2 3.72Å; Q866-F868 HydrophobicContact CB-CZ 4.15Å; F868-Q872 CarbonylContact C-O 3.59Å; F868-Q872 VanDerWaalsContact CA-O 3.28Å; F868-Q872 WeakPolarHBondContact CA-O 3.42Å; F868-E873 HydrophobicContact CD1-CB 3.88Å; F868-E873 HydrophobicContact CD1-CG 4.39Å; F868-E873 HydrophobicContact CE1-CB 3.86Å; F868-E873 HydrophobicContact CE1-CG 4.15Å |
| 869 | F | 82.2 | Confident | 80.3 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 121.5 | 171.3 | -170.5 | -109.7 | 0 | 0 | 0 | 109.1 | P793 V796 C818 A821 G824 N825 V826 N871 Q872 V874 | P793-F869 HydrophobicContact CB-CB 4.11Å; P793-F869 HydrophobicContact CB-CD1 4.28Å; P793-F869 HydrophobicContact CG-CB 4.36Å; P793-F869 HydrophobicContact CG-CD1 4.03Å; V796-F869 HydrophobicContact CG2-CB 3.9Å; V796-F869 HydrophobicContact CG2-CD1 4.1Å; V796-F869 HydrophobicContact CG2-CD2 3.97Å; V796-F869 HydrophobicContact CG2-CG 3.73Å; C818-F869 HydrophobicContact CB-CE2 4.27Å; A821-F869 HydrophobicContact CB-CD1 4.22Å; A821-F869 HydrophobicContact CB-CE1 3.67Å; A821-F869 HydrophobicContact CB-CE2 4.44Å; A821-F869 HydrophobicContact CB-CZ 3.79Å; A821-F869 VanDerWaalsContact O-CE1 3.27Å; A821-F869 WeakPolarHBondContact O-CE1 3.3Å; G824-F869 WeakPolarHBondContact O-CE2 3.42Å; N825-F869 CarbonylContact O-C 3.58Å; N825-F869 WeakPolarHBondContact O-CA 3.35Å; V826-F869 HydrophobicContact CG2-CD2 3.77Å; V826-F869 HydrophobicContact CG2-CE2 4.07Å; F869-N871 VanDerWaalsContact C-N 3.29Å; F869-N871 PolarHBondContact O-N 2.84Å; F869-Q872 PolarHBondContact N-O 3.32Å; F869-Q872 PolarHBondContact O-N 3.4Å; F869-V874 HydrophobicContact CB-CG1 3.77Å |
| 870 | N | 74.1 | Confident | 81.8 | Confident | 74 Ų | 74 | 62 Ų | 62 | 40% | 0.396 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 47.2 | -175.3 | -117.9 | 7.3 | 0 | 0 | 0 | 112.9 | S791 N825 Q872 | S791-N870 PolarHBondContact OG-ND2 3.02Å; S791-N870 VanDerWaalsContact OG-ND2 3.08Å; N825-N870 PolarHBondContact N-OD1 3.36Å; N825-N870 PolarHBondContact O-N 2.95Å; N870-Q872 PolarHBondContact O-N 3.45Å |
| 871 | N | 72 | Confident | 82.8 | Confident | 157 Ų | 157 | 60.8 Ų | 60.8 | 84% | 0.84 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 16.3 | -175.4 | -64.8 | -10 | 0 | 0 | 0 | 116.2 | F869 | F869-N871 VanDerWaalsContact C-N 3.29Å; F869-N871 PolarHBondContact O-N 2.84Å |
| 872 | Q | 69.4 | Low | 83 | Confident | 123 Ų | 123 | 60.1 Ų | 60.1 | 58% | 0.575 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 137.2 | 170 | -63.6 | -172.8 | 2.5 | 0 | 0 | 110.9 | P793 F868 F869 N870 | P793-Q872 HydrophobicContact CB-CB 4.34Å; P793-Q872 HydrophobicContact CG-CB 3.85Å; F868-Q872 CarbonylContact C-O 3.59Å; F868-Q872 VanDerWaalsContact CA-O 3.28Å; F868-Q872 WeakPolarHBondContact CA-O 3.42Å; F869-Q872 PolarHBondContact N-O 3.32Å; F869-Q872 PolarHBondContact O-N 3.4Å; N870-Q872 PolarHBondContact O-N 3.45Å |
| 873 | E | 80.5 | Confident | 82.7 | Confident | 84 Ų | 84 | 57.3 Ų | 57.3 | 39% | 0.393 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 131.8 | -178.3 | -172.7 | 160 | -143.5 | 0 | 0 | 111.3 | Q866 F868 S877 P878 | Q866-E873 PolarHBondContact NE2-OE1 3.11Å; F868-E873 HydrophobicContact CD1-CB 3.88Å; F868-E873 HydrophobicContact CD1-CG 4.39Å; F868-E873 HydrophobicContact CE1-CB 3.86Å; F868-E873 HydrophobicContact CE1-CG 4.15Å; E873-S877 VanDerWaalsContact CG-CB 3.45Å; E873-S877 WeakPolarHBondContact CG-OG 3.09Å; E873-S877 WeakPolarHBondContact OE1-CB 3.24Å; E873-S877 PolarHBondContact OE1-OG 3.5Å; E873-P878 WeakPolarHBondContact OE1-CD 3.2Å |
| 874 | V | 86.2 | Confident | 81.7 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 156.8 | -174 | -47.9 | 0 | 0 | 0 | 0 | 111.8 | V796 V798 V867 F869 R876 S877 | V796-V874 HydrophobicContact CB-CB 4.17Å; V796-V874 HydrophobicContact CB-CG1 3.93Å; V796-V874 HydrophobicContact CG1-CB 4.32Å; V796-V874 HydrophobicContact CG1-CG1 4Å; V796-V874 HydrophobicContact CG1-CG2 4.43Å; V796-V874 HydrophobicContact CG2-CG1 4.27Å; V798-V874 HydrophobicContact CG2-CG2 4Å; V867-V874 HydrophobicContact CB-CG2 3.66Å; V867-V874 HydrophobicContact CG1-CG1 4.02Å; V867-V874 HydrophobicContact CG1-CG2 3.69Å; V867-V874 WeakPolarHBondContact O-CG2 3.34Å; V867-V874 PolarHBondContact O-N 2.99Å; F869-V874 HydrophobicContact CB-CG1 3.77Å; V874-R876 PolarHBondContact O-N 3.19Å; V874-S877 WeakPolarHBondContact O-CB 3.4Å; V874-S877 PolarHBondContact O-N 2.81Å |
| 875 | P | 72.6 | Confident | 80.3 | Confident | 68 Ų | 68 | 65.1 Ų | 65.1 | 44% | 0.442 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 124.4 | -176.7 | -27.3 | 35.7 | 0 | 0 | 0 | 113.6 | P793 | P793-P875 WeakPolarHBondContact O-CD 3.26Š|
| 876 | R | 78.5 | Confident | 78.9 | Confident | 216 Ų | 216 | 67.3 Ų | 67.3 | 82% | 0.815 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 0.8 | -176.6 | -54 | 177.1 | 171.8 | -174.3 | -2.7 | 117.2 | V874 P878 F879 | V874-R876 PolarHBondContact O-N 3.19Å; R876-P878 CarbonylContact O-C 3.54Å; R876-F879 HydrophobicContact CB-CD1 4.24Å; R876-F879 HydrophobicContact CB-CE1 3.51Å; R876-F879 HydrophobicContact CB-CZ 3.72Å |
| 877 | S | 86.3 | Confident | 77.8 | Confident | 16 Ų | 16 | 66.6 Ų | 66.6 | 11% | 0.112 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 142.5 | 157.4 | 179.8 | 0 | 0 | 0 | 0 | 109.3 | Q866 V867 E873 V874 | Q866-S877 VanDerWaalsContact CA-OG 3.29Å; Q866-S877 WeakPolarHBondContact CA-OG 3.48Å; V867-S877 PolarHBondContact N-OG 3.15Å; E873-S877 VanDerWaalsContact CG-CB 3.45Å; E873-S877 WeakPolarHBondContact CG-OG 3.09Å; E873-S877 WeakPolarHBondContact OE1-CB 3.24Å; E873-S877 PolarHBondContact OE1-OG 3.5Å; V874-S877 WeakPolarHBondContact O-CB 3.4Å; V874-S877 PolarHBondContact O-N 2.81Å |
| 878 | P | 86.1 | Confident | 76.9 | Confident | 65 Ų | 65 | 69.4 Ų | 69.4 | 42% | 0.422 | 35% | 0.35 | S | S | . | . | S | Bend | cis | -74.8 | 132.5 | -8.7 | -15.2 | 31 | 0 | 0 | 0 | 113 | T864 V865 Q866 E873 R876 | T864-P878 HydrophobicContact CG2-CB 3.67Å; V865-P878 CarbonylContact O-C 3.38Å; V865-P878 WeakPolarHBondContact O-CA 3.32Å; Q866-P878 HydrophobicContact CG-CB 3.83Å; Q866-P878 HydrophobicContact CG-CG 4.04Å; E873-P878 WeakPolarHBondContact OE1-CD 3.2Å; R876-P878 CarbonylContact O-C 3.54Å |
| 879 | F | 88.3 | Confident | 76.5 | Confident | 27 Ų | 27 | 69.1 Ų | 69.1 | 12% | 0.118 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 126.4 | 174 | -56.2 | -99.4 | 0 | 0 | 0 | 109.8 | V798 V803 T864 V865 R876 | V798-F879 HydrophobicContact CB-CE1 4.13Å; V798-F879 HydrophobicContact CB-CE2 3.89Å; V798-F879 HydrophobicContact CB-CZ 3.54Å; V798-F879 HydrophobicContact CG1-CE2 4.15Å; V798-F879 HydrophobicContact CG1-CZ 4.17Å; V798-F879 HydrophobicContact CG2-CE2 3.75Å; V798-F879 HydrophobicContact CG2-CZ 3.7Å; V803-F879 HydrophobicContact CG1-CB 4.43Å; V803-F879 HydrophobicContact CG1-CG 4.46Å; T864-F879 WeakPolarHBondContact CA-O 3.48Å; V865-F879 HydrophobicContact CB-CB 4.29Å; V865-F879 PolarHBondContact N-O 2.88Å; V865-F879 PolarHBondContact O-N 2.57Å; R876-F879 HydrophobicContact CB-CD1 4.24Å; R876-F879 HydrophobicContact CB-CE1 3.51Å; R876-F879 HydrophobicContact CB-CZ 3.72Å |
| 880 | K | 87.1 | Confident | 76.2 | Confident | 136 Ų | 136 | 73.8 Ų | 73.8 | 59% | 0.591 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 113.7 | 172.2 | -70.6 | -160.3 | 171.9 | -159.9 | 0 | 110.8 | Y863 | Y863-K880 WeakPolarHBondContact O-CA 3.41Å |
| 881 | V | 86.6 | Confident | 76.3 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 113.8 | -168.6 | -169 | 0 | 0 | 0 | 0 | 110.4 | G802 V803 V806 Y862 Y863 V865 | G802-V881 WeakPolarHBondContact O-CG1 3.28Å; V803-V881 HydrophobicContact CB-CG2 4.47Å; V803-V881 HydrophobicContact CG1-CG2 4.45Å; V806-V881 HydrophobicContact CB-CG1 4.47Å; V806-V881 HydrophobicContact CG2-CG1 3.55Å; Y862-V881 CarbonylContact C-O 3.56Å; Y862-V881 WeakPolarHBondContact CA-O 3.21Å; Y863-V881 PolarHBondContact N-O 3.33Å; Y863-V881 PolarHBondContact O-N 2.82Å; V865-V881 HydrophobicContact CG2-CG2 3.74Å |
| 882 | P | 76.9 | Confident | 76.8 | Confident | 56 Ų | 56 | 67.8 Ų | 67.8 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 138.1 | -176.1 | 29.4 | -34.7 | 0 | 0 | 0 | 112.7 | E804 V806 P861 | E804-P882 WeakPolarHBondContact O-CD 3.37Å; E804-P882 WeakPolarHBondContact O-CG 3.42Å; V806-P882 PolarHBondContact N-O 2.7Å; P861-P882 WeakPolarHBondContact O-CA 3.48Å |
| 883 | V | 73.8 | Confident | 77.5 | Confident | 25 Ų | 25 | 65.6 Ų | 65.6 | 15% | 0.152 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 131 | -177.4 | -173.8 | 0 | 0 | 0 | 0 | 111.8 | V806 R808 A856 P861 Y863 | V806-V883 CarbonylContact O-C 3.56Å; V806-V883 VanDerWaalsContact O-CA 3.31Å; V806-V883 WeakPolarHBondContact O-CA 3.28Å; R808-V883 HydrophobicContact CB-CG1 3.96Å; A856-V883 HydrophobicContact CB-CG1 4.08Å; A856-V883 HydrophobicContact CB-CG2 4.15Å; P861-V883 PolarHBondContact O-N 2.84Å; P861-V883 VanDerWaalsContact O-N 3.14Å; Y863-V883 HydrophobicContact CD2-CG2 3.79Å; Y863-V883 HydrophobicContact CE2-CG2 4.21Å; Y863-V883 HydrophobicContact CG-CG2 4.41Å |
| 884 | K | 66.8 | Low | 77.9 | Confident | 104 Ų | 104 | 63 Ų | 63 | 45% | 0.452 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 148 | -177.9 | -64.3 | 177.6 | -175.1 | 169.3 | 0 | 112 | N805 V806 T807 R808 | N805-K884 WeakPolarHBondContact OD1-CE 3.18Å; N805-K884 PolarHBondContact OD1-NZ 2.99Å; V806-K884 PolarHBondContact O-N 3.22Å; T807-K884 WeakPolarHBondContact CA-O 3.15Å; R808-K884 PolarHBondContact N-O 3.09Å |
| 885 | P | 59.8 | Low | 77.9 | Confident | 91 Ų | 91 | 67 Ų | 67 | 59% | 0.591 | 34% | 0.344 | S | S | * | . | trans | -67.5 | 144.1 | 173.5 | -18.4 | 32.1 | 0 | 0 | 0 | 113.1 | I887 | P885-I887 VanDerWaalsContact C-N 3.3Å; P885-I887 PolarHBondContact O-N 2.86Å | ||
| 886 | N | 63.4 | Low | 78.4 | Confident | 45 Ų | 45 | 68.9 Ų | 68.9 | 24% | 0.241 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -93.4 | 35.8 | 178.2 | -161.4 | 11.3 | 0 | 0 | 0 | 112.7 | T807 R808 Q810 | T807-N886 HydrophobicContact CG2-CB 3.7Å; R808-N886 VanDerWaalsContact O-CB 3.28Å; R808-N886 WeakPolarHBondContact O-CB 3.42Å; Q810-N886 PolarHBondContact NE2-OD1 3.37Å |
| 887 | I | 68 | Low | 78.9 | Confident | 43 Ų | 43 | 60.2 Ų | 60.2 | 22% | 0.221 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -138.5 | 126.7 | -176.1 | -60.5 | -179.5 | 0 | 0 | 0 | 108.8 | P885 M889 I892 P924 V967 | P885-I887 VanDerWaalsContact C-N 3.3Å; P885-I887 PolarHBondContact O-N 2.86Å; I887-M889 HydrophobicContact CG2-SD 3.93Å; I887-M889 PolarHBondContact O-N 2.83Å; I887-I892 HydrophobicContact CG2-CD1 3.69Å; I887-P924 HydrophobicContact CD1-CB 4.2Å; I887-P924 HydrophobicContact CG2-CG 4.28Å; I887-V967 HydrophobicContact CD1-CG1 4.27Å; I887-V967 HydrophobicContact CG2-CG1 4.5Å |
| 888 | D | 72.6 | Confident | 78.7 | Confident | 58 Ų | 58 | 65.4 Ų | 65.4 | 31% | 0.31 | 34% | 0.343 | S | S | . | . | trans | -80.9 | 82.6 | 176.4 | -174.6 | -3.4 | 0 | 0 | 0 | 110.6 | S890 K891 A916 | D888-S890 PolarHBondContact O-N 2.84Å; D888-S890 VanDerWaalsContact OD1-CB 3.31Å; D888-S890 WeakPolarHBondContact OD1-CB 3.46Å; D888-S890 PolarHBondContact OD1-N 3.06Å; D888-S890 VanDerWaalsContact OD1-N 3.11Å; D888-S890 PolarHBondContact OD1-OG 3.44Å; D888-K891 HydrophobicContact CB-CD 4.35Å; D888-K891 PolarHBondContact O-N 2.9Å; D888-K891 VanDerWaalsContact O-N 3.11Å; D888-K891 WeakPolarHBondContact OD2-CD 3.35Å; D888-K891 WeakPolarHBondContact OD2-CE 3.33Å; D888-K891 IonicContact OD2-NZ 3.38Å; D888-K891 PolarHBondContact OD2-NZ 2.89Å; D888-A916 PolarHBondContact N-O 2.83Å | ||
| 889 | M | 76.3 | Confident | 78.5 | Confident | 56 Ų | 56 | 66.9 Ų | 66.9 | 28% | 0.276 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -7.4 | 177.3 | -61.8 | -62.5 | -60.4 | 0 | 0 | 114 | I887 I892 V970 | I887-M889 HydrophobicContact CG2-SD 3.93Å; I887-M889 PolarHBondContact O-N 2.83Å; M889-I892 HydrophobicContact SD-CD1 3.94Å; M889-V970 HydrophobicContact CE-CB 3.88Å; M889-V970 HydrophobicContact CE-CG1 3.86Å; M889-V970 HydrophobicContact SD-CB 4.17Å; M889-V970 HydrophobicContact SD-CG1 4.47Å |
| 890 | S | 74 | Confident | 78.4 | Confident | 103 Ų | 103 | 69.4 Ų | 69.4 | 72% | 0.72 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -20 | 175.8 | 78.6 | 0 | 0 | 0 | 0 | 113.6 | D888 | D888-S890 PolarHBondContact O-N 2.84Å; D888-S890 VanDerWaalsContact OD1-CB 3.31Å; D888-S890 WeakPolarHBondContact OD1-CB 3.46Å; D888-S890 PolarHBondContact OD1-N 3.06Å; D888-S890 VanDerWaalsContact OD1-N 3.11Å; D888-S890 PolarHBondContact OD1-OG 3.44Å |
| 891 | K | 76.5 | Confident | 78.4 | Confident | 97 Ų | 97 | 63.2 Ų | 63.2 | 42% | 0.422 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -97.2 | 5 | 178.2 | -64.4 | 174 | -176.8 | 135.9 | 0 | 114.1 | D888 G915 A916 | D888-K891 HydrophobicContact CB-CD 4.35Å; D888-K891 PolarHBondContact O-N 2.9Å; D888-K891 VanDerWaalsContact O-N 3.11Å; D888-K891 WeakPolarHBondContact OD2-CD 3.35Å; D888-K891 WeakPolarHBondContact OD2-CE 3.33Å; D888-K891 IonicContact OD2-NZ 3.38Å; D888-K891 PolarHBondContact OD2-NZ 2.89Å; K891-G915 WeakPolarHBondContact CD-O 3.46Å; K891-G915 WeakPolarHBondContact CE-O 3.42Å; K891-G915 PolarHBondContact NZ-O 3.42Å; K891-A916 HydrophobicContact CB-CB 4.03Å |
| 892 | I | 82.3 | Confident | 78.1 | Confident | 7 Ų | 7 | 65.7 Ų | 65.7 | 4% | 0.036 | 36% | 0.356 | C | S | . | . | trans | -107.4 | 115.3 | -177.4 | -56.1 | 178.7 | 0 | 0 | 0 | 108.8 | I887 M889 I912 T913 A916 V967 V972 | I887-I892 HydrophobicContact CG2-CD1 3.69Å; M889-I892 HydrophobicContact SD-CD1 3.94Å; I892-I912 WeakPolarHBondContact CA-O 3.48Å; I892-T913 HydrophobicContact CG2-CG2 4.39Å; I892-A916 HydrophobicContact CD1-CB 3.83Å; I892-A916 HydrophobicContact CG1-CB 3.43Å; I892-A916 VanDerWaalsContact CG1-CB 3.43Å; I892-V967 HydrophobicContact CD1-CB 3.9Å; I892-V967 HydrophobicContact CD1-CG1 3.85Å; I892-V967 HydrophobicContact CD1-CG2 4.06Å; I892-V967 HydrophobicContact CG2-CG2 3.92Å; I892-V972 HydrophobicContact CG2-CG1 4.01Å; I892-V972 HydrophobicContact CG2-CG2 3.66Å | ||
| 893 | H | 85.8 | Confident | 78.4 | Confident | 77 Ų | 77 | 64.1 Ų | 64.1 | 36% | 0.356 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 167.5 | 178.3 | 63.9 | -84.4 | 0 | 0 | 0 | 111.6 | E895 I912 | H893-E895 IonicContact CD2-OE1 2.94Å; H893-E895 PolarHBondContact CD2-OE1 3.14Å; H893-E895 IonicContact CE1-OE1 3.1Å; H893-E895 IonicContact NE2-OE1 3.33Å; H893-E895 PolarHBondContact NE2-OE1 3.25Å; H893-I912 PolarHBondContact O-N 3.29Å |
| 894 | V | 88.9 | Confident | 78.8 | Confident | 30 Ų | 30 | 65.4 Ų | 65.4 | 18% | 0.182 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 125.4 | -176.8 | -179.7 | 0 | 0 | 0 | 0 | 108.6 | L897 F909 D910 V911 V965 V972 F977 | V894-L897 HydrophobicContact CG1-CB 4.19Å; V894-L897 HydrophobicContact CG1-CD2 4.49Å; V894-F909 HydrophobicContact CG1-CD2 3.6Å; V894-F909 HydrophobicContact CG1-CE2 3.85Å; V894-D910 CarbonylContact C-O 3.5Å; V894-D910 VanDerWaalsContact CA-O 3.32Å; V894-D910 WeakPolarHBondContact CA-O 3.41Å; V894-V911 HydrophobicContact CG2-CG2 4.37Å; V894-V965 HydrophobicContact CG2-CG2 4.22Å; V894-V972 HydrophobicContact CG2-CG1 4.27Å; V894-F977 HydrophobicContact CB-CE1 4.34Å; V894-F977 HydrophobicContact CB-CE2 4.16Å; V894-F977 HydrophobicContact CB-CZ 3.84Å; V894-F977 HydrophobicContact CG2-CE2 3.62Å; V894-F977 HydrophobicContact CG2-CZ 3.62Å |
| 895 | E | 86 | Confident | 79.4 | Confident | 88 Ų | 88 | 63.8 Ų | 63.8 | 41% | 0.411 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 166 | 176.8 | -59 | -166.2 | 174.9 | 0 | 0 | 110.6 | H893 L897 F909 D910 I912 | H893-E895 IonicContact CD2-OE1 2.94Å; H893-E895 PolarHBondContact CD2-OE1 3.14Å; H893-E895 IonicContact CE1-OE1 3.1Å; H893-E895 IonicContact NE2-OE1 3.33Å; H893-E895 PolarHBondContact NE2-OE1 3.25Å; E895-L897 PolarHBondContact O-N 2.72Å; E895-F909 WeakPolarHBondContact O-CB 3.45Å; E895-D910 HydrophobicContact CB-CB 4.45Å; E895-D910 PolarHBondContact N-O 3Å; E895-D910 PolarHBondContact O-N 3.28Å; E895-I912 HydrophobicContact CG-CG1 4.23Å |
| 896 | N | 83.5 | Confident | 80.5 | Confident | 107 Ų | 107 | 63.4 Ų | 63.4 | 57% | 0.572 | 36% | 0.359 | S | S | * | . | S | Bend | trans | 60.9 | -0.8 | 171.6 | -56 | -34.1 | 0 | 0 | 0 | 117.9 | E898 D910 | N896-E898 PolarHBondContact O-N 3.07Å; N896-D910 PolarHBondContact ND2-OD2 2.97Å |
| 897 | L | 88.1 | Confident | 81.6 | Confident | 34 Ų | 34 | 62 Ų | 62 | 18% | 0.178 | 35% | 0.352 | C | S | . | . | trans | -74 | 95.4 | 174.5 | -177.2 | 59.5 | 0 | 0 | 0 | 111.9 | V894 E895 F909 V963 F977 T979 | V894-L897 HydrophobicContact CG1-CB 4.19Å; V894-L897 HydrophobicContact CG1-CD2 4.49Å; E895-L897 PolarHBondContact O-N 2.72Å; L897-F909 HydrophobicContact CB-CB 3.85Å; L897-F909 HydrophobicContact CB-CD2 4.31Å; L897-F909 HydrophobicContact CB-CG 4.08Å; L897-F909 HydrophobicContact CD1-CB 4.33Å; L897-F909 HydrophobicContact CD1-CD1 3.9Å; L897-F909 HydrophobicContact CD1-CE1 4.36Å; L897-F909 HydrophobicContact CD1-CG 4.12Å; L897-V963 HydrophobicContact CD1-CG2 4.47Å; L897-V963 HydrophobicContact CD2-CB 4.17Å; L897-V963 HydrophobicContact CD2-CG1 4.31Å; L897-V963 HydrophobicContact CD2-CG2 4.29Å; L897-F977 HydrophobicContact CD2-CB 3.63Å; L897-F977 HydrophobicContact CD2-CD2 4.47Å; L897-F977 HydrophobicContact CD2-CG 4.04Å; L897-T979 HydrophobicContact CD1-CG2 4.37Å | ||
| 898 | E | 82.2 | Confident | 82.6 | Confident | 125 Ų | 125 | 65.6 Ų | 65.6 | 58% | 0.584 | 37% | 0.368 | S | S | * | . | trans | -64.3 | 145.2 | -178.8 | -63.3 | -163.3 | 135.4 | 0 | 0 | 113.7 | N896 N900 I901 T979 | N896-E898 PolarHBondContact O-N 3.07Å; E898-N900 PolarHBondContact O-N 2.87Å; E898-I901 HydrophobicContact CB-CG2 4.04Å; E898-T979 VanDerWaalsContact O-CB 3.28Å; E898-T979 WeakPolarHBondContact O-CB 3.3Å; E898-T979 PolarHBondContact O-OG1 2.78Å | ||
| 899 | P | 82.8 | Confident | 83.5 | Confident | 95 Ų | 95 | 62.8 Ų | 62.8 | 62% | 0.617 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -75.8 | -18.6 | -179.1 | 30.3 | -35.9 | 0 | 0 | 0 | 114.2 | N980 | P899-N980 PolarHBondContact O-N 2.84Š|
| 900 | N | 84.8 | Confident | 84.2 | Confident | 81 Ų | 81 | 61.9 Ų | 61.9 | 43% | 0.433 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 134.2 | 168.9 | -60.1 | -85.5 | 0 | 0 | 0 | 108.1 | E898 N980 I982 | E898-N900 PolarHBondContact O-N 2.87Å; N900-N980 CarbonylContact C-O 3.58Å; N900-N980 VanDerWaalsContact CA-O 3.26Å; N900-N980 WeakPolarHBondContact CA-O 3.43Å; N900-N980 PolarHBondContact OD1-ND2 3.39Å; N900-I982 HydrophobicContact CB-CD1 4.37Å |
| 901 | I | 86.9 | Confident | 85 | Confident | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 157.5 | -174.6 | 57.7 | 177.1 | 0 | 0 | 0 | 110.4 | E898 T907 F953 P955 T979 N980 A981 I982 | E898-I901 HydrophobicContact CB-CG2 4.04Å; I901-T907 HydrophobicContact CB-CG2 4.27Å; I901-T907 HydrophobicContact CD1-CG2 4.02Å; I901-T907 HydrophobicContact CG2-CG2 3.73Å; I901-F953 HydrophobicContact CD1-CE2 3.79Å; I901-F953 HydrophobicContact CD1-CZ 3.62Å; I901-P955 HydrophobicContact CD1-CB 4.08Å; I901-P955 HydrophobicContact CD1-CG 3.79Å; I901-P955 HydrophobicContact CG1-CG 4.12Å; I901-T979 HydrophobicContact CD1-CG2 3.65Å; I901-T979 HydrophobicContact CG1-CG2 4.38Å; I901-T979 WeakPolarHBondContact CG2-OG1 3.44Å; I901-N980 PolarHBondContact N-O 3.48Å; I901-A981 HydrophobicContact CG1-CB 4.36Å; I901-A981 CarbonylContact O-C 3.56Å; I901-A981 VanDerWaalsContact O-CA 3.28Å; I901-A981 WeakPolarHBondContact O-CA 3.48Å; I901-I982 WeakPolarHBondContact O-CG1 3.49Å; I901-I982 PolarHBondContact O-N 2.75Å |
| 902 | T | 81.5 | Confident | 85.6 | Confident | 52 Ų | 52 | 53.8 Ų | 53.8 | 32% | 0.319 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 126.1 | -173 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | G904 V905 P955 P984 | T902-G904 PolarHBondContact O-N 3.17Å; T902-V905 HydrophobicContact CG2-CB 4.47Å; T902-V905 HydrophobicContact CG2-CG2 3.64Å; T902-V905 PolarHBondContact O-N 3.3Å; T902-V905 VanDerWaalsContact O-N 3.09Å; T902-P955 WeakPolarHBondContact O-CG 3.36Å; T902-P984 HydrophobicContact CG2-CB 3.68Å; T902-P984 HydrophobicContact CG2-CG 4.35Å |
| 903 | T | 82.9 | Confident | 85.9 | Confident | 23 Ų | 23 | 53.4 Ų | 53.4 | 14% | 0.141 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 125.1 | -178.9 | -45 | 0 | 0 | 0 | 0 | 110.1 | P955 V958 I982 | T903-P955 CarbonylContact C-O 3.53Å; T903-P955 WeakPolarHBondContact CA-O 3.26Å; T903-P955 WeakPolarHBondContact CG2-O 3.49Å; T903-V958 HydrophobicContact CG2-CG2 4.11Å; T903-I982 WeakPolarHBondContact CB-O 3.19Å; T903-I982 PolarHBondContact N-O 3.01Å; T903-I982 VanDerWaalsContact OG1-C 3.22Å; T903-I982 PolarHBondContact OG1-O 2.93Å |
| 904 | G | 80.9 | Confident | 85.6 | Confident | 51 Ų | 51 | 51.7 Ų | 51.7 | 53% | 0.526 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 0.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | T902 P955 | T902-G904 PolarHBondContact O-N 3.17Å; G904-P955 PolarHBondContact N-O 3.44Å |
| 905 | V | 79.7 | Confident | 85 | Confident | 71 Ų | 71 | 52.1 Ų | 52.1 | 43% | 0.43 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -104.9 | 133.6 | 176.4 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | T902 T907 P955 | T902-V905 HydrophobicContact CG2-CB 4.47Å; T902-V905 HydrophobicContact CG2-CG2 3.64Å; T902-V905 PolarHBondContact O-N 3.3Å; T902-V905 VanDerWaalsContact O-N 3.09Å; V905-T907 PolarHBondContact O-N 2.81Å; V905-T907 PolarHBondContact O-OG1 2.95Å; V905-P955 WeakPolarHBondContact O-CD 3.33Å |
| 906 | P | 83.8 | Confident | 84.5 | Confident | 83 Ų | 83 | 48 Ų | 48 | 54% | 0.539 | 29% | 0.291 | S | S | . | . | trans | -53.8 | 128 | 170.8 | -25.3 | 35.2 | 0 | 0 | 0 | 111.2 | ||||
| 907 | T | 86.6 | Confident | 83.8 | Confident | 15 Ų | 15 | 43.7 Ų | 43.7 | 9% | 0.092 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 120.9 | 178.7 | -59.1 | 0 | 0 | 0 | 0 | 107.5 | I901 V905 S952 F953 | I901-T907 HydrophobicContact CB-CG2 4.27Å; I901-T907 HydrophobicContact CD1-CG2 4.02Å; I901-T907 HydrophobicContact CG2-CG2 3.73Å; V905-T907 PolarHBondContact O-N 2.81Å; V905-T907 PolarHBondContact O-OG1 2.95Å; T907-S952 WeakPolarHBondContact O-CA 3.46Å; T907-F953 HydrophobicContact CG2-CE1 3.77Å; T907-F953 HydrophobicContact CG2-CZ 3.88Å; T907-F953 PolarHBondContact N-O 2.77Å; T907-F953 PolarHBondContact O-N 3.15Å |
| 908 | E | 89.7 | Confident | 82.5 | Confident | 118 Ų | 118 | 44 Ų | 44 | 55% | 0.551 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 147.2 | -179.3 | -46.7 | -157.9 | 137.3 | 0 | 0 | 108.9 | T950 S952 | E908-T950 HydrophobicContact CB-CG2 4.32Å; E908-S952 WeakPolarHBondContact CG-OG 3.34Å; E908-S952 WeakPolarHBondContact OE1-CB 3.43Å; E908-S952 PolarHBondContact OE1-OG 3.25Å |
| 909 | F | 91.4 | Very high | 81.7 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -151.8 | 172.9 | 178.6 | 67.9 | -89.5 | 0 | 0 | 0 | 109.1 | V894 E895 L897 V911 V928 T950 P951 F953 V963 V965 | V894-F909 HydrophobicContact CG1-CD2 3.6Å; V894-F909 HydrophobicContact CG1-CE2 3.85Å; E895-F909 WeakPolarHBondContact O-CB 3.45Å; L897-F909 HydrophobicContact CB-CB 3.85Å; L897-F909 HydrophobicContact CB-CD2 4.31Å; L897-F909 HydrophobicContact CB-CG 4.08Å; L897-F909 HydrophobicContact CD1-CB 4.33Å; L897-F909 HydrophobicContact CD1-CD1 3.9Å; L897-F909 HydrophobicContact CD1-CE1 4.36Å; L897-F909 HydrophobicContact CD1-CG 4.12Å; F909-V911 HydrophobicContact CD2-CG2 4.22Å; F909-V911 HydrophobicContact CE2-CG2 3.71Å; F909-V928 HydrophobicContact CZ-CG1 4.04Å; F909-T950 VanDerWaalsContact O-CA 3.3Å; F909-T950 WeakPolarHBondContact O-CA 3.41Å; F909-T950 VanDerWaalsContact O-CG2 3.26Å; F909-T950 WeakPolarHBondContact O-CG2 3.2Å; F909-P951 HydrophobicContact CD1-CB 4.48Å; F909-P951 WeakPolarHBondContact CD1-O 3.32Å; F909-P951 HydrophobicContact CD2-CG 4.23Å; F909-P951 HydrophobicContact CE1-CB 3.83Å; F909-P951 HydrophobicContact CE1-CG 4.07Å; F909-P951 HydrophobicContact CE2-CB 4.35Å; F909-P951 HydrophobicContact CE2-CG 3.67Å; F909-P951 HydrophobicContact CZ-CB 3.77Å; F909-P951 HydrophobicContact CZ-CG 3.58Å; F909-P951 PolarHBondContact N-O 3.14Å; F909-P951 WeakPolarHBondContact O-CD 3.3Å; F909-F953 HydrophobicContact CD1-CE1 4.25Å; F909-F953 HydrophobicContact CE1-CD1 4.2Å; F909-F953 HydrophobicContact CE1-CE1 4.04Å; F909-V963 HydrophobicContact CE1-CG1 4.03Å; F909-V963 HydrophobicContact CE2-CG1 4.41Å; F909-V963 HydrophobicContact CZ-CG1 3.57Å; F909-V965 HydrophobicContact CE2-CG2 4.32Å | ||
| 910 | D | 89.1 | Confident | 80.7 | Confident | 37 Ų | 37 | 47.1 Ų | 47.1 | 20% | 0.198 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 139.2 | -175 | -65 | -68.9 | 0 | 0 | 0 | 112.2 | V894 E895 N896 I912 T950 | V894-D910 CarbonylContact C-O 3.5Å; V894-D910 VanDerWaalsContact CA-O 3.32Å; V894-D910 WeakPolarHBondContact CA-O 3.41Å; E895-D910 HydrophobicContact CB-CB 4.45Å; E895-D910 PolarHBondContact N-O 3Å; E895-D910 PolarHBondContact O-N 3.28Å; N896-D910 PolarHBondContact ND2-OD2 2.97Å; D910-I912 HydrophobicContact CB-CD1 4.31Å; D910-T950 PolarHBondContact OD1-OG1 3.3Å |
| 911 | V | 90.8 | Very high | 79.9 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 99.9 | 173.3 | -174.2 | 0 | 0 | 0 | 0 | 107.6 | V894 F909 T913 P926 G948 Y949 P951 V965 | V894-V911 HydrophobicContact CG2-CG2 4.37Å; F909-V911 HydrophobicContact CD2-CG2 4.22Å; F909-V911 HydrophobicContact CE2-CG2 3.71Å; V911-T913 HydrophobicContact CG1-CG2 4.17Å; V911-T913 PolarHBondContact O-N 3.15Å; V911-P926 HydrophobicContact CB-CG 4.26Å; V911-P926 HydrophobicContact CG1-CB 3.98Å; V911-P926 HydrophobicContact CG1-CG 4.03Å; V911-G948 WeakPolarHBondContact O-CA 3.41Å; V911-Y949 PolarHBondContact N-O 2.79Å; V911-Y949 PolarHBondContact O-N 2.69Å; V911-P951 HydrophobicContact CG2-CG 3.73Å; V911-V965 HydrophobicContact CG1-CG1 3.92Å; V911-V965 HydrophobicContact CG2-CG1 4.16Å |
| 912 | I | 90 | Very high | 79.1 | Confident | 29 Ų | 29 | 50.2 Ų | 50.2 | 15% | 0.149 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 128 | -178.5 | -52 | -54.6 | 0 | 0 | 0 | 108.6 | I892 H893 E895 D910 D947 | I892-I912 WeakPolarHBondContact CA-O 3.48Å; H893-I912 PolarHBondContact O-N 3.29Å; E895-I912 HydrophobicContact CG-CG1 4.23Å; D910-I912 HydrophobicContact CB-CD1 4.31Å; I912-D947 HydrophobicContact CD1-CB 4.16Å; I912-D947 HydrophobicContact CG2-CB 4.45Å |
| 913 | T | 87.7 | Confident | 79 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | -139.7 | -8.4 | -178.6 | 58.4 | 0 | 0 | 0 | 0 | 113.8 | I892 V911 G915 A916 P924 D947 G948 | I892-T913 HydrophobicContact CG2-CG2 4.39Å; V911-T913 HydrophobicContact CG1-CG2 4.17Å; V911-T913 PolarHBondContact O-N 3.15Å; T913-G915 PolarHBondContact O-N 2.82Å; T913-A916 VanDerWaalsContact O-CB 3.24Å; T913-A916 WeakPolarHBondContact O-CB 3.31Å; T913-A916 PolarHBondContact O-N 3.43Å; T913-A916 VanDerWaalsContact O-N 3.07Å; T913-P924 WeakPolarHBondContact O-CD 3.17Å; T913-D947 PolarHBondContact N-O 3.47Å; T913-G948 WeakPolarHBondContact OG1-CA 3.37Å | ||
| 914 | A | 80.3 | Confident | 78.9 | Confident | 40 Ų | 40 | 49.1 Ų | 49.1 | 33% | 0.331 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 126.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A916 S922 K923 D947 | A914-A916 VanDerWaalsContact C-N 3.28Å; A914-A916 PolarHBondContact O-N 2.93Å; A914-S922 CarbonylContact C-O 3.59Å; A914-K923 HydrophobicContact CB-CG 4.33Å; A914-D947 HydrophobicContact CB-CB 4.5Å; A914-D947 VanDerWaalsContact CB-O 3.3Å; A914-D947 WeakPolarHBondContact CB-O 3.25Å; A914-D947 PolarHBondContact N-O 3.33Å |
| 915 | G | 77.2 | Confident | 79.2 | Confident | 39 Ų | 39 | 53.2 Ų | 53.2 | 40% | 0.402 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | K891 T913 S922 | K891-G915 WeakPolarHBondContact CD-O 3.46Å; K891-G915 WeakPolarHBondContact CE-O 3.42Å; K891-G915 PolarHBondContact NZ-O 3.42Å; T913-G915 PolarHBondContact O-N 2.82Å; G915-S922 PolarHBondContact N-O 2.92Å |
| 916 | A | 75.3 | Confident | 79.6 | Confident | 3 Ų | 3 | 50 Ų | 50 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -87.7 | -20.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D888 K891 I892 T913 A914 P924 | D888-A916 PolarHBondContact N-O 2.83Å; K891-A916 HydrophobicContact CB-CB 4.03Å; I892-A916 HydrophobicContact CD1-CB 3.83Å; I892-A916 HydrophobicContact CG1-CB 3.43Å; I892-A916 VanDerWaalsContact CG1-CB 3.43Å; T913-A916 VanDerWaalsContact O-CB 3.24Å; T913-A916 WeakPolarHBondContact O-CB 3.31Å; T913-A916 PolarHBondContact O-N 3.43Å; T913-A916 VanDerWaalsContact O-N 3.07Å; A914-A916 VanDerWaalsContact C-N 3.28Å; A914-A916 PolarHBondContact O-N 2.93Å; A916-P924 HydrophobicContact CB-CG 4.18Å |
| 917 | G | 67.9 | Low | 79.9 | Confident | 15 Ų | 15 | 50.1 Ų | 50.1 | 16% | 0.155 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -101.5 | 173 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N921 | G917-N921 WeakPolarHBondContact CA-O 3.45Š|
| 918 | P | 61.6 | Low | 80.1 | Confident | 42 Ų | 42 | 50.7 Ų | 50.7 | 27% | 0.273 | 30% | 0.296 | S | S | . | . | trans | -65.7 | 165 | 176 | 30.5 | -36.2 | 0 | 0 | 0 | 111.5 | N920 N921 S922 | P918-N920 PolarHBondContact O-N 3.09Å; P918-N921 CarbonylContact O-C 3.49Å; P918-N921 PolarHBondContact O-N 2.97Å; P918-S922 PolarHBondContact O-N 2.95Å | ||
| 919 | P | 64.7 | Low | 80 | Confident | 118 Ų | 118 | 46 Ų | 46 | 77% | 0.766 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -51.1 | -39.1 | -174 | -29.6 | 36.1 | 0 | 0 | 0 | 114.8 | N921 | P919-N921 VanDerWaalsContact C-N 3.27Å; P919-N921 PolarHBondContact O-N 3.14Å |
| 920 | N | 61.3 | Low | 80 | Confident | 166 Ų | 166 | 46 Ų | 46 | 89% | 0.888 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -79.6 | -4.9 | -177.6 | -55.8 | 17.6 | 0 | 0 | 0 | 113.5 | P918 | P918-N920 PolarHBondContact O-N 3.09Š|
| 921 | N | 68.7 | Low | 79.8 | Confident | 89 Ų | 89 | 48.9 Ų | 48.9 | 48% | 0.476 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -151.7 | 65.8 | 174 | -172.8 | -3.5 | 0 | 0 | 0 | 109.2 | G917 P918 P919 K923 | G917-N921 WeakPolarHBondContact CA-O 3.45Å; P918-N921 CarbonylContact O-C 3.49Å; P918-N921 PolarHBondContact O-N 2.97Å; P919-N921 VanDerWaalsContact C-N 3.27Å; P919-N921 PolarHBondContact O-N 3.14Å; N921-K923 PolarHBondContact O-N 3.05Å; N921-K923 PolarHBondContact OD1-O 2.96Å |
| 922 | S | 70.7 | Confident | 79.7 | Confident | 64 Ų | 64 | 49.3 Ų | 49.3 | 45% | 0.448 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -70.9 | -10.6 | -170.2 | 58.4 | 0 | 0 | 0 | 0 | 114.8 | A914 G915 P918 | A914-S922 CarbonylContact C-O 3.59Å; G915-S922 PolarHBondContact N-O 2.92Å; P918-S922 PolarHBondContact O-N 2.95Å |
| 923 | K | 78.8 | Confident | 79.3 | Confident | 43 Ų | 43 | 50.6 Ų | 50.6 | 19% | 0.187 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -125.1 | 78.6 | 173.3 | -66.7 | -177.5 | -173.7 | 176.2 | 0 | 110.6 | A914 N921 K925 E944 S945 V946 Y949 | A914-K923 HydrophobicContact CB-CG 4.33Å; N921-K923 PolarHBondContact O-N 3.05Å; N921-K923 PolarHBondContact OD1-O 2.96Å; K923-K925 PolarHBondContact O-N 2.84Å; K923-K925 VanDerWaalsContact O-N 3.15Å; K923-E944 IonicContact NZ-OE1 3.22Å; K923-E944 PolarHBondContact NZ-OE1 2.87Å; K923-E944 VanDerWaalsContact NZ-OE1 3.1Å; K923-S945 PolarHBondContact NZ-O 3.39Å; K923-V946 WeakPolarHBondContact CE-O 3.4Å; K923-V946 PolarHBondContact NZ-O 3.05Å; K923-Y949 HydrophobicContact CB-CE2 4.21Å; K923-Y949 PolarHBondContact O-OH 3.41Å |
| 924 | P | 81.5 | Confident | 79.1 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 5% | 0.052 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 117.6 | -178 | 24.8 | -34.1 | 0 | 0 | 0 | 111.7 | I887 T913 A916 V967 | I887-P924 HydrophobicContact CD1-CB 4.2Å; I887-P924 HydrophobicContact CG2-CG 4.28Å; T913-P924 WeakPolarHBondContact O-CD 3.17Å; A916-P924 HydrophobicContact CB-CG 4.18Å; P924-V967 HydrophobicContact CB-CG1 3.9Å; P924-V967 HydrophobicContact CG-CG1 4.12Å |
| 925 | K | 87.4 | Confident | 79 | Confident | 137 Ų | 137 | 55.7 Ų | 55.7 | 60% | 0.596 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 126.3 | -172 | -169.1 | 169.1 | -174.7 | 168.1 | 0 | 113.5 | K923 L942 Y949 | K923-K925 PolarHBondContact O-N 2.84Å; K923-K925 VanDerWaalsContact O-N 3.15Å; K925-L942 HydrophobicContact CG-CD2 4.13Å; K925-Y949 HydrophobicContact CB-CE2 4.18Å; K925-Y949 HydrophobicContact CD-CE1 4.42Å; K925-Y949 HydrophobicContact CG-CE1 4.11Å; K925-Y949 HydrophobicContact CG-CE2 4.34Å |
| 926 | P | 88.1 | Confident | 79.1 | Confident | 5 Ų | 5 | 59.6 Ų | 59.6 | 3% | 0.032 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 151.3 | 178.5 | 32.5 | -35.3 | 0 | 0 | 0 | 112.5 | V911 L942 Y949 V965 E966 V967 | V911-P926 HydrophobicContact CB-CG 4.26Å; V911-P926 HydrophobicContact CG1-CB 3.98Å; V911-P926 HydrophobicContact CG1-CG 4.03Å; P926-L942 HydrophobicContact CG-CD1 4.29Å; P926-L942 HydrophobicContact CG-CD2 4.23Å; P926-L942 WeakPolarHBondContact O-CD2 3.37Å; P926-Y949 HydrophobicContact CG-CD2 3.95Å; P926-Y949 HydrophobicContact CG-CG 4.1Å; P926-V965 HydrophobicContact CB-CG1 4.23Å; P926-E966 WeakPolarHBondContact CA-O 3.42Å; P926-V967 HydrophobicContact CB-CG2 3.92Å |
| 927 | T | 88.3 | Confident | 79.5 | Confident | 84 Ų | 84 | 68.2 Ų | 68.2 | 52% | 0.515 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 125.3 | 164.5 | -61 | 0 | 0 | 0 | 0 | 108.7 | V965 E966 | T927-V965 WeakPolarHBondContact O-CA 3.26Å; T927-E966 PolarHBondContact N-O 2.83Å; T927-E966 PolarHBondContact O-N 3.46Å |
| 928 | V | 90.8 | Very high | 80.3 | Confident | 27 Ų | 27 | 68.1 Ų | 68.1 | 16% | 0.164 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 129.4 | -178.9 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | F909 V930 L942 P951 V963 A964 V965 | F909-V928 HydrophobicContact CZ-CG1 4.04Å; V928-V930 HydrophobicContact CG1-CG2 4.45Å; V928-L942 HydrophobicContact CG2-CD1 4.39Å; V928-P951 HydrophobicContact CB-CB 4.43Å; V928-P951 HydrophobicContact CG1-CB 4.15Å; V928-P951 HydrophobicContact CG1-CG 4.49Å; V928-P951 HydrophobicContact CG2-CB 4.13Å; V928-P951 HydrophobicContact CG2-CG 3.79Å; V928-V963 HydrophobicContact CG1-CG1 4.23Å; V928-A964 CarbonylContact C-O 3.56Å; V928-A964 WeakPolarHBondContact CA-O 3.45Å; V928-V965 HydrophobicContact CG2-CG1 4.39Å; V928-V965 HydrophobicContact CG2-CG2 4.39Å |
| 929 | T | 89 | Confident | 81.4 | Confident | 20 Ų | 20 | 71.6 Ų | 71.6 | 12% | 0.123 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 111.8 | 175.9 | -67.9 | 0 | 0 | 0 | 0 | 110 | K931 R937 A964 | T929-K931 HydrophobicContact CG2-CG 4.45Å; T929-R937 HydrophobicContact CG2-CG 4.21Å; T929-R937 PolarHBondContact OG1-NH1 2.86Å; T929-R937 PolarHBondContact OG1-NH2 3.44Å; T929-A964 PolarHBondContact N-O 3.02Å; T929-A964 PolarHBondContact O-N 3.4Å |
| 930 | V | 90.1 | Very high | 82.5 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.006 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 137.1 | 173.3 | -174.1 | 0 | 0 | 0 | 0 | 109.8 | V928 R937 V938 C940 F953 T962 V963 | V928-V930 HydrophobicContact CG1-CG2 4.45Å; V930-R937 WeakPolarHBondContact O-CA 3.31Å; V930-V938 HydrophobicContact CB-CB 4.1Å; V930-V938 HydrophobicContact CG1-CB 3.91Å; V930-V938 HydrophobicContact CG1-CG2 4.21Å; V930-V938 PolarHBondContact O-N 3.06Å; V930-C940 HydrophobicContact CG2-CB 4.15Å; V930-F953 HydrophobicContact CG1-CD2 3.84Å; V930-F953 HydrophobicContact CG1-CE2 3.86Å; V930-F953 HydrophobicContact CG1-CG 4.3Å; V930-F953 HydrophobicContact CG1-CZ 4.34Å; V930-F953 HydrophobicContact CG2-CB 4.29Å; V930-F953 HydrophobicContact CG2-CD1 3.95Å; V930-F953 HydrophobicContact CG2-CD2 4.33Å; V930-F953 HydrophobicContact CG2-CE1 4.34Å; V930-F953 HydrophobicContact CG2-CG 3.94Å; V930-T962 CarbonylContact C-O 3.57Å; V930-T962 WeakPolarHBondContact CA-O 3.34Å; V930-V963 HydrophobicContact CG1-CG2 4.34Å; V930-V963 HydrophobicContact CG2-CG1 4.36Å; V930-V963 HydrophobicContact CG2-CG2 4.23Å |
| 931 | K | 86.4 | Confident | 83.7 | Confident | 96 Ų | 96 | 64.6 Ų | 64.6 | 42% | 0.417 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 137.3 | 169.5 | -57.2 | 178.7 | -174 | 174.9 | 0 | 111.5 | T929 M936 H961 T962 | T929-K931 HydrophobicContact CG2-CG 4.45Å; K931-M936 CarbonylContact C-O 3.58Å; K931-M936 WeakPolarHBondContact CA-O 3.38Å; K931-H961 CarbonylContact O-C 3.55Å; K931-H961 VanDerWaalsContact O-CA 3.24Å; K931-H961 WeakPolarHBondContact O-CA 3.35Å; K931-H961 WeakPolarHBondContact O-CB 3.49Å; K931-T962 PolarHBondContact N-O 2.97Å; K931-T962 PolarHBondContact O-N 3.08Å |
| 932 | S | 86.9 | Confident | 84.7 | Confident | 9 Ų | 9 | 63.1 Ų | 63.1 | 6% | 0.063 | 35% | 0.348 | C | S | . | . | trans | -78.8 | 168.8 | 174.9 | 47.3 | 0 | 0 | 0 | 0 | 112.2 | N934 G935 M936 | S932-N934 WeakPolarHBondContact CB-OD1 3.42Å; S932-N934 PolarHBondContact O-N 3.45Å; S932-N934 PolarHBondContact OG-OD1 3.42Å; S932-G935 PolarHBondContact O-N 2.99Å; S932-M936 PolarHBondContact N-O 3.22Å; S932-M936 PolarHBondContact OG-O 2.77Å; S932-M936 VanDerWaalsContact OG-O 3.14Å | ||
| 933 | P | 82.8 | Confident | 85.4 | Confident | 56 Ų | 56 | 62.7 Ų | 62.7 | 36% | 0.364 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -21.9 | -175 | -25.3 | 34.8 | 0 | 0 | 0 | 115.1 | V957 G959 P960 | P933-V957 HydrophobicContact CG-CG1 4.25Å; P933-G959 VanDerWaalsContact CG-C 3.42Å; P933-P960 WeakPolarHBondContact CG-O 3.47Å |
| 934 | N | 82.8 | Confident | 85.8 | Confident | 95 Ų | 95 | 66.4 Ų | 66.4 | 51% | 0.508 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 8.8 | 175.6 | 65.3 | -10.5 | 0 | 0 | 0 | 113.8 | S932 M936 | S932-N934 WeakPolarHBondContact CB-OD1 3.42Å; S932-N934 PolarHBondContact O-N 3.45Å; S932-N934 PolarHBondContact OG-OD1 3.42Å; N934-M936 VanDerWaalsContact C-N 3.32Å; N934-M936 PolarHBondContact ND2-SD 2.8Å; N934-M936 PolarHBondContact O-N 2.77Å |
| 935 | G | 77.7 | Confident | 85.8 | Confident | 53 Ų | 53 | 67.5 Ų | 67.5 | 55% | 0.546 | 37% | 0.374 | S | S | . | . | S | Bend | trans | 82.2 | -5.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | S932 | S932-G935 PolarHBondContact O-N 2.99Š|
| 936 | M | 80.1 | Confident | 85.4 | Confident | 121 Ų | 121 | 66.8 Ų | 66.8 | 60% | 0.596 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -67 | 148.6 | 174.7 | -62.5 | -179.2 | 68.9 | 0 | 0 | 111 | K931 S932 N934 | K931-M936 CarbonylContact C-O 3.58Å; K931-M936 WeakPolarHBondContact CA-O 3.38Å; S932-M936 PolarHBondContact N-O 3.22Å; S932-M936 PolarHBondContact OG-O 2.77Å; S932-M936 VanDerWaalsContact OG-O 3.14Å; N934-M936 VanDerWaalsContact C-N 3.32Å; N934-M936 PolarHBondContact ND2-SD 2.8Å; N934-M936 PolarHBondContact O-N 2.77Å |
| 937 | R | 83.5 | Confident | 85.1 | Confident | 183 Ų | 183 | 70.9 Ų | 70.9 | 69% | 0.691 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 133.8 | 168.5 | -79.1 | -174.5 | 172.9 | -129.2 | -2.8 | 109.6 | T929 V930 | T929-R937 HydrophobicContact CG2-CG 4.21Å; T929-R937 PolarHBondContact OG1-NH1 2.86Å; T929-R937 PolarHBondContact OG1-NH2 3.44Å; V930-R937 WeakPolarHBondContact O-CA 3.31Å |
| 938 | V | 84.6 | Confident | 85.1 | Confident | 13 Ų | 13 | 66.9 Ų | 66.9 | 8% | 0.079 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 134.6 | 170.2 | -178.2 | 0 | 0 | 0 | 0 | 108.1 | V930 C940 F953 T954 | V930-V938 HydrophobicContact CB-CB 4.1Å; V930-V938 HydrophobicContact CG1-CB 3.91Å; V930-V938 HydrophobicContact CG1-CG2 4.21Å; V930-V938 PolarHBondContact O-N 3.06Å; V938-C940 PolarHBondContact O-N 2.86Å; V938-F953 HydrophobicContact CG1-CD2 4.3Å; V938-T954 WeakPolarHBondContact CG1-O 3.44Å |
| 939 | P | 85 | Confident | 85.1 | Confident | 115 Ų | 115 | 66.5 Ų | 66.5 | 75% | 0.747 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 135.2 | 173.4 | -24.2 | 34.7 | 0 | 0 | 0 | 111.5 | F953 | P939-F953 WeakPolarHBondContact O-CB 3.48Š|
| 940 | C | 88.7 | Confident | 85.2 | Confident | 41 Ų | 41 | 66.9 Ų | 66.9 | 28% | 0.277 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 130.8 | 177.3 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | V930 V938 S952 F953 | V930-C940 HydrophobicContact CG2-CB 4.15Å; V938-C940 PolarHBondContact O-N 2.86Å; C940-S952 CarbonylContact C-O 3.6Å; C940-S952 VanDerWaalsContact CA-O 3.25Å; C940-S952 WeakPolarHBondContact CA-O 3.45Å; C940-S952 PolarHBondContact SG-O 3.07Å; C940-F953 HydrophobicContact CB-CB 4.05Å |
| 941 | T | 86.8 | Confident | 85.2 | Confident | 96 Ų | 96 | 66.8 Ų | 66.8 | 59% | 0.589 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 155.8 | 173 | 49.7 | 0 | 0 | 0 | 0 | 109.4 | P951 S952 | T941-P951 CarbonylContact O-C 3.52Å; T941-P951 VanDerWaalsContact O-CA 3.29Å; T941-P951 WeakPolarHBondContact O-CA 3.48Å; T941-S952 PolarHBondContact N-O 2.74Å; T941-S952 PolarHBondContact O-N 2.69Å; T941-S952 PolarHBondContact OG1-O 3.35Å |
| 942 | L | 89.1 | Confident | 85.4 | Confident | 58 Ų | 58 | 63.1 Ų | 63.1 | 30% | 0.304 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 108.3 | -175.9 | -172.9 | 72.2 | 0 | 0 | 0 | 109.6 | K925 P926 V928 Y949 P951 | K925-L942 HydrophobicContact CG-CD2 4.13Å; P926-L942 HydrophobicContact CG-CD1 4.29Å; P926-L942 HydrophobicContact CG-CD2 4.23Å; P926-L942 WeakPolarHBondContact O-CD2 3.37Å; V928-L942 HydrophobicContact CG2-CD1 4.39Å; L942-Y949 HydrophobicContact CD2-CD1 4.25Å; L942-Y949 HydrophobicContact CD2-CG 4.46Å; L942-Y949 HydrophobicContact CG-CD1 4.21Å; L942-Y949 HydrophobicContact CG-CG 4.45Å; L942-P951 HydrophobicContact CD1-CB 3.85Å; L942-P951 HydrophobicContact CD1-CG 3.59Å |
| 943 | A | 85.7 | Confident | 85.6 | Confident | 55 Ų | 55 | 62.9 Ų | 62.9 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 154 | 171 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y949 T950 | A943-Y949 CarbonylContact O-C 3.58Å; A943-Y949 VanDerWaalsContact O-CA 3.23Å; A943-Y949 WeakPolarHBondContact O-CA 3.39Å; A943-Y949 WeakPolarHBondContact O-CB 3.41Å; A943-Y949 WeakPolarHBondContact O-CD1 3.41Å; A943-T950 PolarHBondContact N-O 2.9Å; A943-T950 PolarHBondContact O-N 3.29Å |
| 944 | E | 86.8 | Confident | 85.9 | Confident | 122 Ų | 122 | 62.8 Ų | 62.8 | 57% | 0.57 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 139.1 | 167.4 | -169.2 | 172 | 148.6 | 0 | 0 | 109.9 | K923 G948 Y949 | K923-E944 IonicContact NZ-OE1 3.22Å; K923-E944 PolarHBondContact NZ-OE1 2.87Å; K923-E944 VanDerWaalsContact NZ-OE1 3.1Å; E944-G948 WeakPolarHBondContact CG-O 3.17Å; E944-Y949 HydrophobicContact CB-CD1 3.89Å; E944-Y949 HydrophobicContact CB-CE1 3.74Å; E944-Y949 HydrophobicContact CG-CD1 4.04Å; E944-Y949 HydrophobicContact CG-CE1 3.66Å; E944-Y949 PolarHBondContact OE2-OH 2.72Å |
| 945 | S | 80.9 | Confident | 86 | Confident | 30 Ų | 30 | 58.3 Ų | 58.3 | 21% | 0.21 | 33% | 0.334 | C | S | . | . | trans | -124.6 | 176.2 | -179.5 | 68.5 | 0 | 0 | 0 | 0 | 111.2 | K923 D947 G948 Y949 T950 | K923-S945 PolarHBondContact NZ-O 3.39Å; S945-D947 VanDerWaalsContact C-N 3.31Å; S945-D947 PolarHBondContact O-N 2.78Å; S945-G948 PolarHBondContact N-O 2.88Å; S945-G948 VanDerWaalsContact OG-C 3.27Å; S945-G948 PolarHBondContact OG-O 3.44Å; S945-Y949 PolarHBondContact OG-N 2.64Å; S945-T950 WeakPolarHBondContact CB-OG1 3.34Å | ||
| 946 | V | 79.6 | Confident | 86.1 | Confident | 123 Ų | 123 | 60.8 Ų | 60.8 | 75% | 0.745 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -56 | -45.6 | -174.2 | -180 | 0 | 0 | 0 | 0 | 111.5 | K923 | K923-V946 WeakPolarHBondContact CE-O 3.4Å; K923-V946 PolarHBondContact NZ-O 3.05Å |
| 947 | D | 82.3 | Confident | 86.2 | Confident | 90 Ų | 90 | 57.5 Ų | 57.5 | 48% | 0.481 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -108.5 | 3.7 | -173.6 | -57.3 | -66.4 | 0 | 0 | 0 | 114.2 | I912 T913 A914 S945 | I912-D947 HydrophobicContact CD1-CB 4.16Å; I912-D947 HydrophobicContact CG2-CB 4.45Å; T913-D947 PolarHBondContact N-O 3.47Å; A914-D947 HydrophobicContact CB-CB 4.5Å; A914-D947 VanDerWaalsContact CB-O 3.3Å; A914-D947 WeakPolarHBondContact CB-O 3.25Å; A914-D947 PolarHBondContact N-O 3.33Å; S945-D947 VanDerWaalsContact C-N 3.31Å; S945-D947 PolarHBondContact O-N 2.78Å |
| 948 | G | 87.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.4 | -122.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V911 T913 E944 S945 | V911-G948 WeakPolarHBondContact O-CA 3.41Å; T913-G948 WeakPolarHBondContact OG1-CA 3.37Å; E944-G948 WeakPolarHBondContact CG-O 3.17Å; S945-G948 PolarHBondContact N-O 2.88Å; S945-G948 VanDerWaalsContact OG-C 3.27Å; S945-G948 PolarHBondContact OG-O 3.44Å |
| 949 | Y | 91.5 | Very high | 86.1 | Confident | 19 Ų | 19 | 52.7 Ų | 52.7 | 8% | 0.075 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 143.6 | -178.8 | -62.8 | -91.9 | 0 | 0 | 0 | 111.3 | V911 K923 K925 P926 L942 A943 E944 S945 | V911-Y949 PolarHBondContact N-O 2.79Å; V911-Y949 PolarHBondContact O-N 2.69Å; K923-Y949 HydrophobicContact CB-CE2 4.21Å; K923-Y949 PolarHBondContact O-OH 3.41Å; K925-Y949 HydrophobicContact CB-CE2 4.18Å; K925-Y949 HydrophobicContact CD-CE1 4.42Å; K925-Y949 HydrophobicContact CG-CE1 4.11Å; K925-Y949 HydrophobicContact CG-CE2 4.34Å; P926-Y949 HydrophobicContact CG-CD2 3.95Å; P926-Y949 HydrophobicContact CG-CG 4.1Å; L942-Y949 HydrophobicContact CD2-CD1 4.25Å; L942-Y949 HydrophobicContact CD2-CG 4.46Å; L942-Y949 HydrophobicContact CG-CD1 4.21Å; L942-Y949 HydrophobicContact CG-CG 4.45Å; A943-Y949 CarbonylContact O-C 3.58Å; A943-Y949 VanDerWaalsContact O-CA 3.23Å; A943-Y949 WeakPolarHBondContact O-CA 3.39Å; A943-Y949 WeakPolarHBondContact O-CB 3.41Å; A943-Y949 WeakPolarHBondContact O-CD1 3.41Å; E944-Y949 HydrophobicContact CB-CD1 3.89Å; E944-Y949 HydrophobicContact CB-CE1 3.74Å; E944-Y949 HydrophobicContact CG-CD1 4.04Å; E944-Y949 HydrophobicContact CG-CE1 3.66Å; E944-Y949 PolarHBondContact OE2-OH 2.72Å; S945-Y949 PolarHBondContact OG-N 2.64Å |
| 950 | T | 91.2 | Very high | 86.1 | Confident | 28 Ų | 28 | 50.9 Ų | 50.9 | 17% | 0.172 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 105.9 | -178.4 | -53.8 | 0 | 0 | 0 | 0 | 108.8 | E908 F909 D910 A943 S945 | E908-T950 HydrophobicContact CB-CG2 4.32Å; F909-T950 VanDerWaalsContact O-CA 3.3Å; F909-T950 WeakPolarHBondContact O-CA 3.41Å; F909-T950 VanDerWaalsContact O-CG2 3.26Å; F909-T950 WeakPolarHBondContact O-CG2 3.2Å; D910-T950 PolarHBondContact OD1-OG1 3.3Å; A943-T950 PolarHBondContact N-O 2.9Å; A943-T950 PolarHBondContact O-N 3.29Å; S945-T950 WeakPolarHBondContact CB-OG1 3.34Å |
| 951 | P | 89.2 | Confident | 86.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 133.4 | 177.6 | -7.2 | 27.3 | 0 | 0 | 0 | 111.2 | F909 V911 V928 T941 L942 | F909-P951 HydrophobicContact CD1-CB 4.48Å; F909-P951 WeakPolarHBondContact CD1-O 3.32Å; F909-P951 HydrophobicContact CD2-CG 4.23Å; F909-P951 HydrophobicContact CE1-CB 3.83Å; F909-P951 HydrophobicContact CE1-CG 4.07Å; F909-P951 HydrophobicContact CE2-CB 4.35Å; F909-P951 HydrophobicContact CE2-CG 3.67Å; F909-P951 HydrophobicContact CZ-CB 3.77Å; F909-P951 HydrophobicContact CZ-CG 3.58Å; F909-P951 PolarHBondContact N-O 3.14Å; F909-P951 WeakPolarHBondContact O-CD 3.3Å; V911-P951 HydrophobicContact CG2-CG 3.73Å; V928-P951 HydrophobicContact CB-CB 4.43Å; V928-P951 HydrophobicContact CG1-CB 4.15Å; V928-P951 HydrophobicContact CG1-CG 4.49Å; V928-P951 HydrophobicContact CG2-CB 4.13Å; V928-P951 HydrophobicContact CG2-CG 3.79Å; T941-P951 CarbonylContact O-C 3.52Å; T941-P951 VanDerWaalsContact O-CA 3.29Å; T941-P951 WeakPolarHBondContact O-CA 3.48Å; L942-P951 HydrophobicContact CD1-CB 3.85Å; L942-P951 HydrophobicContact CD1-CG 3.59Å |
| 952 | S | 90.3 | Very high | 86.4 | Confident | 19 Ų | 19 | 46.4 Ų | 46.4 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 133.5 | -178.8 | -174.4 | 0 | 0 | 0 | 0 | 110.4 | T907 E908 C940 T941 | T907-S952 WeakPolarHBondContact O-CA 3.46Å; E908-S952 WeakPolarHBondContact CG-OG 3.34Å; E908-S952 WeakPolarHBondContact OE1-CB 3.43Å; E908-S952 PolarHBondContact OE1-OG 3.25Å; C940-S952 CarbonylContact C-O 3.6Å; C940-S952 VanDerWaalsContact CA-O 3.25Å; C940-S952 WeakPolarHBondContact CA-O 3.45Å; C940-S952 PolarHBondContact SG-O 3.07Å; T941-S952 PolarHBondContact N-O 2.74Å; T941-S952 PolarHBondContact O-N 2.69Å; T941-S952 PolarHBondContact OG1-O 3.35Å |
| 953 | F | 91.7 | Very high | 86.4 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 155.3 | 176.4 | 74.2 | -84.3 | 0 | 0 | 0 | 112.1 | I901 T907 F909 V930 V938 P939 C940 P955 V963 T979 | I901-F953 HydrophobicContact CD1-CE2 3.79Å; I901-F953 HydrophobicContact CD1-CZ 3.62Å; T907-F953 HydrophobicContact CG2-CE1 3.77Å; T907-F953 HydrophobicContact CG2-CZ 3.88Å; T907-F953 PolarHBondContact N-O 2.77Å; T907-F953 PolarHBondContact O-N 3.15Å; F909-F953 HydrophobicContact CD1-CE1 4.25Å; F909-F953 HydrophobicContact CE1-CD1 4.2Å; F909-F953 HydrophobicContact CE1-CE1 4.04Å; V930-F953 HydrophobicContact CG1-CD2 3.84Å; V930-F953 HydrophobicContact CG1-CE2 3.86Å; V930-F953 HydrophobicContact CG1-CG 4.3Å; V930-F953 HydrophobicContact CG1-CZ 4.34Å; V930-F953 HydrophobicContact CG2-CB 4.29Å; V930-F953 HydrophobicContact CG2-CD1 3.95Å; V930-F953 HydrophobicContact CG2-CD2 4.33Å; V930-F953 HydrophobicContact CG2-CE1 4.34Å; V930-F953 HydrophobicContact CG2-CG 3.94Å; V938-F953 HydrophobicContact CG1-CD2 4.3Å; P939-F953 WeakPolarHBondContact O-CB 3.48Å; C940-F953 HydrophobicContact CB-CB 4.05Å; F953-P955 HydrophobicContact CE2-CB 4.3Å; F953-V963 HydrophobicContact CE1-CG2 4.35Å; F953-V963 HydrophobicContact CZ-CG2 4.28Å; F953-T979 HydrophobicContact CZ-CG2 4.28Å |
| 954 | T | 88.5 | Confident | 86.6 | Confident | 54 Ų | 54 | 42 Ų | 42 | 33% | 0.331 | 25% | 0.25 | S | C | . | . | trans | -111.3 | 111.8 | 175.9 | -49.5 | 0 | 0 | 0 | 0 | 110.6 | V938 T956 | V938-T954 WeakPolarHBondContact CG1-O 3.44Å; T954-T956 PolarHBondContact O-N 2.76Å | ||
| 955 | P | 85.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -68 | 115.5 | 174.2 | 28.3 | -35.3 | 0 | 0 | 0 | 110.7 | I901 T902 T903 G904 V905 F953 H961 A981 | I901-P955 HydrophobicContact CD1-CB 4.08Å; I901-P955 HydrophobicContact CD1-CG 3.79Å; I901-P955 HydrophobicContact CG1-CG 4.12Å; T902-P955 WeakPolarHBondContact O-CG 3.36Å; T903-P955 CarbonylContact C-O 3.53Å; T903-P955 WeakPolarHBondContact CA-O 3.26Å; T903-P955 WeakPolarHBondContact CG2-O 3.49Å; G904-P955 PolarHBondContact N-O 3.44Å; V905-P955 WeakPolarHBondContact O-CD 3.33Å; F953-P955 HydrophobicContact CE2-CB 4.3Å; P955-H961 VanDerWaalsContact CB-CE1 3.44Å; P955-H961 WeakPolarHBondContact CB-CE1 3.41Å; P955-A981 HydrophobicContact CB-CB 3.8Å; P955-A981 HydrophobicContact CG-CB 4.41Å | ||
| 956 | T | 81.2 | Confident | 87 | Confident | 106 Ų | 106 | 38.6 Ų | 38.6 | 65% | 0.65 | 23% | 0.231 | S | C | * | . | trans | -98.4 | -7.9 | -177.3 | 51.8 | 0 | 0 | 0 | 0 | 114.4 | T954 | T954-T956 PolarHBondContact O-N 2.76Š| ||
| 957 | V | 80.9 | Confident | 87.1 | Confident | 51 Ų | 51 | 32.8 Ų | 32.8 | 31% | 0.309 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -131.2 | 119.5 | -174.6 | 179.9 | 0 | 0 | 0 | 0 | 109.9 | P933 G959 H961 | P933-V957 HydrophobicContact CG-CG1 4.25Å; V957-G959 PolarHBondContact O-N 2.96Å; V957-H961 PolarHBondContact O-CE1 3.14Å |
| 958 | V | 81.5 | Confident | 86.6 | Confident | 85 Ų | 85 | 31 Ų | 31 | 52% | 0.515 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -54.8 | 131.5 | 177.2 | 176 | 0 | 0 | 0 | 0 | 110.8 | T903 A981 P983 | T903-V958 HydrophobicContact CG2-CG2 4.11Å; V958-A981 CarbonylContact C-O 3.51Å; V958-A981 WeakPolarHBondContact CA-O 3.49Å; V958-A981 WeakPolarHBondContact CG1-O 3.49Å; V958-P983 HydrophobicContact CG2-CB 4.41Å |
| 959 | G | 84.2 | Confident | 85.7 | Confident | 10 Ų | 10 | 34.1 Ų | 34.1 | 10% | 0.103 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 124.5 | -172.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | P933 V957 H961 N980 A981 | P933-G959 VanDerWaalsContact CG-C 3.42Å; V957-G959 PolarHBondContact O-N 2.96Å; G959-H961 PolarHBondContact O-N 2.64Å; G959-H961 PolarHBondContact O-ND1 2.79Å; G959-N980 VanDerWaalsContact C-OD1 3.26Å; G959-N980 WeakPolarHBondContact CA-OD1 3.27Å; G959-A981 PolarHBondContact N-O 3.37Å; G959-A981 PolarHBondContact O-N 3.11Å |
| 960 | P | 85.6 | Confident | 84.8 | Confident | 78 Ų | 78 | 36.1 Ų | 36.1 | 51% | 0.506 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 109.7 | -173 | 28.6 | -35.6 | 0 | 0 | 0 | 112.8 | P933 | P933-P960 WeakPolarHBondContact CG-O 3.47Å |
| 961 | H | 90.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 156.8 | 165.2 | -71 | 68.3 | 0 | 0 | 0 | 110.6 | K931 P955 V957 G959 T979 | K931-H961 CarbonylContact O-C 3.55Å; K931-H961 VanDerWaalsContact O-CA 3.24Å; K931-H961 WeakPolarHBondContact O-CA 3.35Å; K931-H961 WeakPolarHBondContact O-CB 3.49Å; P955-H961 VanDerWaalsContact CB-CE1 3.44Å; P955-H961 WeakPolarHBondContact CB-CE1 3.41Å; V957-H961 PolarHBondContact O-CE1 3.14Å; G959-H961 PolarHBondContact O-N 2.64Å; G959-H961 PolarHBondContact O-ND1 2.79Å; H961-T979 HydrophobicContact CB-CG2 4.08Å; H961-T979 PolarHBondContact N-O 3.05Å; H961-T979 PolarHBondContact O-N 2.9Å |
| 962 | T | 90.8 | Very high | 84 | Confident | 42 Ų | 42 | 38.5 Ų | 38.5 | 26% | 0.258 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 133.4 | 169.7 | 44.7 | 0 | 0 | 0 | 0 | 110.3 | V930 K931 F977 R978 | V930-T962 CarbonylContact C-O 3.57Å; V930-T962 WeakPolarHBondContact CA-O 3.34Å; K931-T962 PolarHBondContact N-O 2.97Å; K931-T962 PolarHBondContact O-N 3.08Å; T962-F977 CarbonylContact C-O 3.59Å; T962-F977 VanDerWaalsContact CA-O 3.31Å; T962-F977 WeakPolarHBondContact CA-O 3.34Å; T962-R978 HydrophobicContact CG2-CG 4.05Å |
| 963 | V | 90.8 | Very high | 83.2 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 103.8 | -178.3 | -178.4 | 0 | 0 | 0 | 0 | 107.9 | L897 F909 V928 V930 F953 V965 P976 F977 T979 | L897-V963 HydrophobicContact CD1-CG2 4.47Å; L897-V963 HydrophobicContact CD2-CB 4.17Å; L897-V963 HydrophobicContact CD2-CG1 4.31Å; L897-V963 HydrophobicContact CD2-CG2 4.29Å; F909-V963 HydrophobicContact CE1-CG1 4.03Å; F909-V963 HydrophobicContact CE2-CG1 4.41Å; F909-V963 HydrophobicContact CZ-CG1 3.57Å; V928-V963 HydrophobicContact CG1-CG1 4.23Å; V930-V963 HydrophobicContact CG1-CG2 4.34Å; V930-V963 HydrophobicContact CG2-CG1 4.36Å; V930-V963 HydrophobicContact CG2-CG2 4.23Å; F953-V963 HydrophobicContact CE1-CG2 4.35Å; F953-V963 HydrophobicContact CZ-CG2 4.28Å; V963-V965 HydrophobicContact CG1-CG2 4.24Å; V963-P976 CarbonylContact O-C 3.6Å; V963-P976 WeakPolarHBondContact O-CA 3.36Å; V963-F977 HydrophobicContact CB-CB 4.42Å; V963-F977 PolarHBondContact N-O 2.84Å; V963-F977 WeakPolarHBondContact O-CD2 3.46Å; V963-F977 PolarHBondContact O-N 2.97Å; V963-T979 HydrophobicContact CG2-CG2 4.19Å |
| 964 | A | 90 | Very high | 82.6 | Confident | 21 Ų | 21 | 49.3 Ų | 49.3 | 17% | 0.174 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 127.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | V928 T929 S975 P976 | V928-A964 CarbonylContact C-O 3.56Å; V928-A964 WeakPolarHBondContact CA-O 3.45Å; T929-A964 PolarHBondContact N-O 3.02Å; T929-A964 PolarHBondContact O-N 3.4Å; A964-S975 WeakPolarHBondContact CA-OG 3.33Å; A964-P976 HydrophobicContact CB-CB 4.2Å |
| 965 | V | 90.2 | Very high | 82.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 129.4 | 172.2 | -172.1 | 0 | 0 | 0 | 0 | 108.8 | V894 F909 V911 P926 T927 V928 V963 V972 S975 F977 | V894-V965 HydrophobicContact CG2-CG2 4.22Å; F909-V965 HydrophobicContact CE2-CG2 4.32Å; V911-V965 HydrophobicContact CG1-CG1 3.92Å; V911-V965 HydrophobicContact CG2-CG1 4.16Å; P926-V965 HydrophobicContact CB-CG1 4.23Å; T927-V965 WeakPolarHBondContact O-CA 3.26Å; V928-V965 HydrophobicContact CG2-CG1 4.39Å; V928-V965 HydrophobicContact CG2-CG2 4.39Å; V963-V965 HydrophobicContact CG1-CG2 4.24Å; V965-V972 HydrophobicContact CB-CB 4.35Å; V965-V972 HydrophobicContact CB-CG2 4.22Å; V965-V972 HydrophobicContact CG1-CB 4.37Å; V965-V972 HydrophobicContact CG1-CG2 3.77Å; V965-V972 PolarHBondContact O-N 2.85Å; V965-S975 PolarHBondContact N-OG 2.85Å; V965-S975 WeakPolarHBondContact O-CB 3.18Å; V965-S975 PolarHBondContact O-OG 2.9Å; V965-F977 HydrophobicContact CB-CE2 4.41Å; V965-F977 HydrophobicContact CG2-CD2 4.32Å; V965-F977 HydrophobicContact CG2-CE2 4.16Å |
| 966 | E | 85.1 | Confident | 82.4 | Confident | 80 Ų | 80 | 52 Ų | 52 | 37% | 0.374 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 139.9 | -179.7 | -70.8 | 166.7 | -159.5 | 0 | 0 | 109.8 | P926 T927 V970 P971 | P926-E966 WeakPolarHBondContact CA-O 3.42Å; T927-E966 PolarHBondContact N-O 2.83Å; T927-E966 PolarHBondContact O-N 3.46Å; E966-V970 CarbonylContact C-O 3.58Å; E966-V970 WeakPolarHBondContact CA-O 3.45Å; E966-P971 HydrophobicContact CG-CB 4.23Å |
| 967 | V | 80.9 | Confident | 82.7 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 130.8 | 173.6 | -171.7 | 0 | 0 | 0 | 0 | 108.8 | I887 I892 P924 P926 G969 V970 V972 | I887-V967 HydrophobicContact CD1-CG1 4.27Å; I887-V967 HydrophobicContact CG2-CG1 4.5Å; I892-V967 HydrophobicContact CD1-CB 3.9Å; I892-V967 HydrophobicContact CD1-CG1 3.85Å; I892-V967 HydrophobicContact CD1-CG2 4.06Å; I892-V967 HydrophobicContact CG2-CG2 3.92Å; P924-V967 HydrophobicContact CB-CG1 3.9Å; P924-V967 HydrophobicContact CG-CG1 4.12Å; P926-V967 HydrophobicContact CB-CG2 3.92Å; V967-G969 PolarHBondContact O-N 2.98Å; V967-G969 VanDerWaalsContact O-N 3.07Å; V967-V970 PolarHBondContact N-O 2.76Å; V967-V970 PolarHBondContact O-N 2.84Å; V967-V972 HydrophobicContact CG2-CG2 3.9Å |
| 968 | G | 71.7 | Confident | 82.9 | Confident | 54 Ų | 54 | 56.4 Ų | 56.4 | 56% | 0.557 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 14.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 969 | G | 69.1 | Low | 83.2 | Confident | 65 Ų | 65 | 52.4 Ų | 52.4 | 67% | 0.67 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.5 | 9.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | V967 | V967-G969 PolarHBondContact O-N 2.98Å; V967-G969 VanDerWaalsContact O-N 3.07Å |
| 970 | V | 72.8 | Confident | 83.3 | Confident | 60 Ų | 60 | 54.6 Ų | 54.6 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 130 | 176.6 | -173.3 | 0 | 0 | 0 | 0 | 109.7 | M889 E966 V967 | M889-V970 HydrophobicContact CE-CB 3.88Å; M889-V970 HydrophobicContact CE-CG1 3.86Å; M889-V970 HydrophobicContact SD-CB 4.17Å; M889-V970 HydrophobicContact SD-CG1 4.47Å; E966-V970 CarbonylContact C-O 3.58Å; E966-V970 WeakPolarHBondContact CA-O 3.45Å; V967-V970 PolarHBondContact N-O 2.76Å; V967-V970 PolarHBondContact O-N 2.84Å |
| 971 | P | 78.6 | Confident | 83.2 | Confident | 76 Ų | 76 | 50.9 Ų | 50.9 | 49% | 0.494 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 135.8 | 177.7 | 26.5 | -33.9 | 0 | 0 | 0 | 111.8 | E966 | E966-P971 HydrophobicContact CG-CB 4.23Å |
| 972 | V | 84 | Confident | 82.7 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.018 | 32% | 0.317 | C | S | . | . | trans | -67.5 | 146.8 | 176.9 | 179.6 | 0 | 0 | 0 | 0 | 110.2 | I892 V894 V965 V967 G974 S975 | I892-V972 HydrophobicContact CG2-CG1 4.01Å; I892-V972 HydrophobicContact CG2-CG2 3.66Å; V894-V972 HydrophobicContact CG2-CG1 4.27Å; V965-V972 HydrophobicContact CB-CB 4.35Å; V965-V972 HydrophobicContact CB-CG2 4.22Å; V965-V972 HydrophobicContact CG1-CB 4.37Å; V965-V972 HydrophobicContact CG1-CG2 3.77Å; V965-V972 PolarHBondContact O-N 2.85Å; V967-V972 HydrophobicContact CG2-CG2 3.9Å; V972-G974 PolarHBondContact O-N 3.44Å; V972-S975 WeakPolarHBondContact O-CB 3.45Å; V972-S975 PolarHBondContact O-N 2.95Å | ||
| 973 | K | 75.3 | Confident | 81.8 | Confident | 200 Ų | 200 | 56.3 Ų | 56.3 | 87% | 0.87 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 108.8 | -178.2 | -174.2 | -177.8 | 178.8 | -175 | 0 | 111.4 | ||
| 974 | G | 77.6 | Confident | 80.3 | Confident | 50 Ų | 50 | 60.5 Ų | 60.5 | 52% | 0.515 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 112.6 | -13.2 | -175 | 0 | 0 | 0 | 0 | 0 | 114.3 | V972 P976 F977 | V972-G974 PolarHBondContact O-N 3.44Å; G974-P976 CarbonylContact O-C 3.56Å; G974-F977 PolarHBondContact O-N 3.25Å |
| 975 | S | 85.9 | Confident | 78.2 | Confident | 26 Ų | 26 | 64.4 Ų | 64.4 | 18% | 0.182 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -70 | 136.9 | 173.8 | -174 | 0 | 0 | 0 | 0 | 111.7 | A964 V965 V972 | A964-S975 WeakPolarHBondContact CA-OG 3.33Å; V965-S975 PolarHBondContact N-OG 2.85Å; V965-S975 WeakPolarHBondContact O-CB 3.18Å; V965-S975 PolarHBondContact O-OG 2.9Å; V972-S975 WeakPolarHBondContact O-CB 3.45Å; V972-S975 PolarHBondContact O-N 2.95Å |
| 976 | P | 83 | Confident | 75.4 | Confident | 83 Ų | 83 | 68.6 Ų | 68.6 | 54% | 0.539 | 43% | 0.426 | S | S | . | . | S | Bend | cis | -78.4 | 125 | -7.1 | 31.4 | -33.1 | 0 | 0 | 0 | 112.1 | V963 A964 G974 | V963-P976 CarbonylContact O-C 3.6Å; V963-P976 WeakPolarHBondContact O-CA 3.36Å; A964-P976 HydrophobicContact CB-CB 4.2Å; G974-P976 CarbonylContact O-C 3.56Å |
| 977 | F | 88.2 | Confident | 72.6 | Confident | 45 Ų | 45 | 70.8 Ų | 70.8 | 20% | 0.197 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 155.4 | 175.2 | -56.6 | -90.8 | 0 | 0 | 0 | 110.3 | V894 L897 T962 V963 V965 G974 | V894-F977 HydrophobicContact CB-CE1 4.34Å; V894-F977 HydrophobicContact CB-CE2 4.16Å; V894-F977 HydrophobicContact CB-CZ 3.84Å; V894-F977 HydrophobicContact CG2-CE2 3.62Å; V894-F977 HydrophobicContact CG2-CZ 3.62Å; L897-F977 HydrophobicContact CD2-CB 3.63Å; L897-F977 HydrophobicContact CD2-CD2 4.47Å; L897-F977 HydrophobicContact CD2-CG 4.04Å; T962-F977 CarbonylContact C-O 3.59Å; T962-F977 VanDerWaalsContact CA-O 3.31Å; T962-F977 WeakPolarHBondContact CA-O 3.34Å; V963-F977 HydrophobicContact CB-CB 4.42Å; V963-F977 PolarHBondContact N-O 2.84Å; V963-F977 WeakPolarHBondContact O-CD2 3.46Å; V963-F977 PolarHBondContact O-N 2.97Å; V965-F977 HydrophobicContact CB-CE2 4.41Å; V965-F977 HydrophobicContact CG2-CD2 4.32Å; V965-F977 HydrophobicContact CG2-CE2 4.16Å; G974-F977 PolarHBondContact O-N 3.25Å |
| 978 | R | 86.2 | Confident | 70.2 | Confident | 205 Ų | 205 | 79.4 Ų | 79.4 | 77% | 0.774 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 132.3 | 176.4 | -74.2 | -177.3 | 178.1 | -171.9 | -0.6 | 110.6 | T962 | T962-R978 HydrophobicContact CG2-CG 4.05Å |
| 979 | T | 86.4 | Confident | 67.9 | Low | 1 Ų | 1 | 85.2 Ų | 85.2 | 1% | 0.006 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 142.6 | 174.1 | -179.3 | 0 | 0 | 0 | 0 | 109.4 | L897 E898 I901 F953 H961 V963 | L897-T979 HydrophobicContact CD1-CG2 4.37Å; E898-T979 VanDerWaalsContact O-CB 3.28Å; E898-T979 WeakPolarHBondContact O-CB 3.3Å; E898-T979 PolarHBondContact O-OG1 2.78Å; I901-T979 HydrophobicContact CD1-CG2 3.65Å; I901-T979 HydrophobicContact CG1-CG2 4.38Å; I901-T979 WeakPolarHBondContact CG2-OG1 3.44Å; F953-T979 HydrophobicContact CZ-CG2 4.28Å; H961-T979 HydrophobicContact CB-CG2 4.08Å; H961-T979 PolarHBondContact N-O 3.05Å; H961-T979 PolarHBondContact O-N 2.9Å; V963-T979 HydrophobicContact CG2-CG2 4.19Å |
| 980 | N | 87.1 | Confident | 65.9 | Low | 57 Ų | 57 | 87.1 Ų | 87.1 | 31% | 0.305 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 112.2 | -169 | -177.9 | 51.6 | 0 | 0 | 0 | 111.5 | P899 N900 I901 G959 I982 | P899-N980 PolarHBondContact O-N 2.84Å; N900-N980 CarbonylContact C-O 3.58Å; N900-N980 VanDerWaalsContact CA-O 3.26Å; N900-N980 WeakPolarHBondContact CA-O 3.43Å; N900-N980 PolarHBondContact OD1-ND2 3.39Å; I901-N980 PolarHBondContact N-O 3.48Å; G959-N980 VanDerWaalsContact C-OD1 3.26Å; G959-N980 WeakPolarHBondContact CA-OD1 3.27Å; N980-I982 PolarHBondContact O-N 2.96Å |
| 981 | A | 84.2 | Confident | 63.8 | Low | 0 Ų | 0 | 91.7 Ų | 91.7 | 0% | 0 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 115.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | I901 P955 V958 G959 | I901-A981 HydrophobicContact CG1-CB 4.36Å; I901-A981 CarbonylContact O-C 3.56Å; I901-A981 VanDerWaalsContact O-CA 3.28Å; I901-A981 WeakPolarHBondContact O-CA 3.48Å; P955-A981 HydrophobicContact CB-CB 3.8Å; P955-A981 HydrophobicContact CG-CB 4.41Å; V958-A981 CarbonylContact C-O 3.51Å; V958-A981 WeakPolarHBondContact CA-O 3.49Å; V958-A981 WeakPolarHBondContact CG1-O 3.49Å; G959-A981 PolarHBondContact N-O 3.37Å; G959-A981 PolarHBondContact O-N 3.11Å |
| 982 | I | 78.7 | Confident | 61.1 | Low | 71 Ų | 71 | 98.5 Ų | 98.5 | 36% | 0.364 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 149.4 | 177.9 | 54.1 | 169.3 | 0 | 0 | 0 | 110.6 | N900 I901 T903 N980 | N900-I982 HydrophobicContact CB-CD1 4.37Å; I901-I982 WeakPolarHBondContact O-CG1 3.49Å; I901-I982 PolarHBondContact O-N 2.75Å; T903-I982 WeakPolarHBondContact CB-O 3.19Å; T903-I982 PolarHBondContact N-O 3.01Å; T903-I982 VanDerWaalsContact OG1-C 3.22Å; T903-I982 PolarHBondContact OG1-O 2.93Å; N980-I982 PolarHBondContact O-N 2.96Å |
| 983 | P | 71.1 | Confident | 58.7 | Low | 85 Ų | 85 | 103 Ų | 103 | 55% | 0.552 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 144.8 | 178.5 | 28.9 | -34.5 | 0 | 0 | 0 | 111.3 | V958 A985 | V958-P983 HydrophobicContact CG2-CB 4.41Å; P983-A985 PolarHBondContact O-N 2.89Å |
| 984 | P | 60.6 | Low | 56.3 | Low | 87 Ų | 87 | 101.7 Ų | 101.7 | 57% | 0.565 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 127.6 | 178.4 | 22.9 | -32.1 | 0 | 0 | 0 | 112.1 | T902 | T902-P984 HydrophobicContact CG2-CB 3.68Å; T902-P984 HydrophobicContact CG2-CG 4.35Å |
| 985 | A | 45.2 | Very low | 53.8 | Low | 104 Ų | 104 | 104.3 Ų | 104.3 | 86% | 0.86 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 151.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | P983 | P983-A985 PolarHBondContact O-N 2.89Š|
| 986 | A | 31.1 | Very low | 50.9 | Low | 88 Ų | 88 | 112.2 Ų | 112.2 | 73% | 0.727 | 59% | 0.593 | S | S | * | * | trans | -109.6 | 144.2 | -162.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 987 | V | 27.4 | Very low | 48.2 | Very low | 126 Ų | 126 | 111.7 Ų | 111.7 | 76% | 0.764 | 60% | 0.602 | S | S | * | * | trans | 73.1 | 132.7 | 167.2 | -170.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 988 | Q | 29.2 | Very low | 45.3 | Very low | 181 Ų | 181 | 120.5 Ų | 120.5 | 85% | 0.846 | 63% | 0.634 | S | S | * | * | cis | -156.4 | 149.2 | 37.1 | -144.7 | 146.5 | 31.3 | 0 | 0 | 113.1 | ||||
| 989 | E | 24.5 | Very low | 42.4 | Very low | 176 Ų | 176 | 119 Ų | 119 | 82% | 0.822 | 64% | 0.636 | S | S | * | * | trans | -73.9 | 179.1 | 156.8 | -71.6 | -168.2 | 162 | 0 | 0 | 110.6 | ||||
| 990 | P | 27.7 | Very low | 39.5 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 69% | 0.688 | 67% | 0.674 | S | S | * | * | cis | -152.5 | -164.6 | 24 | 31 | -1.6 | 0 | 0 | 0 | 118.6 | ||||
| 991 | I | 28.4 | Very low | 36.5 | Very low | 156 Ų | 156 | 127.9 Ų | 127.9 | 80% | 0.8 | 69% | 0.688 | S | S | * | * | trans | 106.4 | 125.8 | 150.8 | -52 | -176.3 | 0 | 0 | 0 | 118.9 | ||||
| 992 | Y | 21.7 | Very low | 33.7 | Very low | 219 Ų | 219 | 134.5 Ų | 134.5 | 86% | 0.859 | 73% | 0.729 | S | S | * | * | trans | -104.6 | -170.4 | 176.2 | -88.8 | -87.3 | 0 | 0 | 0 | 110.6 | ||||
| 993 | P | 34 | Very low | 31.3 | Very low | 98 Ų | 98 | 137.1 Ų | 137.1 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | cis | -138.8 | 179.3 | -31.6 | 34.4 | -15.1 | 0 | 0 | 0 | 115.5 | ||||
| 994 | K | 24.1 | Very low | 29 | Very low | 171 Ų | 171 | 137.5 Ų | 137.5 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | 64.7 | 163.8 | 148.1 | -75.6 | 167 | 157.5 | -84.6 | 0 | 118.5 | ||||
| 995 | D | 25.9 | Very low | 27.6 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 57% | 0.567 | 77% | 0.77 | S | S | * | * | cis | -164.9 | 166.2 | -14.7 | -105.8 | -21.6 | 0 | 0 | 0 | 109.9 | ||||
| 996 | F | 24.9 | Very low | 26.6 | Very low | 192 Ų | 192 | 141 Ų | 141 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | trans | 71.2 | 145.5 | 154.1 | -79.9 | -63.8 | 0 | 0 | 0 | 125.1 | ||||
| 997 | G | 25.8 | Very low | 26.7 | Very low | 71 Ų | 71 | 142.7 Ų | 142.7 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | trans | 117.8 | 103.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 998 | R | 26 | Very low | 27.2 | Very low | 230 Ų | 230 | 140.1 Ų | 140.1 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | cis | 81.5 | 106.2 | 16 | -144.7 | -168 | -156.3 | -159.8 | 8.2 | 116.2 | ||||
| 999 | Q | 26.8 | Very low | 27.7 | Very low | 174 Ų | 174 | 136.1 Ų | 136.1 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | trans | -177 | 138.5 | 146.6 | -97 | 170.4 | 11 | 0 | 0 | 107.7 | ||||
| 1000 | Q | 25.1 | Very low | 29.1 | Very low | 172 Ų | 172 | 136.5 Ų | 136.5 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | cis | 83.7 | 146.5 | 49.3 | -72.6 | -173.6 | -37.9 | 0 | 0 | 114.4 | ||||
| 1001 | A | 24.7 | Very low | 30.5 | Very low | 73 Ų | 73 | 134.3 Ų | 134.3 | 60% | 0.603 | 76% | 0.755 | S | S | * | * | cis | -172.5 | 161.7 | -15.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1002 | T | 25 | Very low | 32.2 | Very low | 139 Ų | 139 | 127.5 Ų | 127.5 | 85% | 0.853 | 72% | 0.722 | S | S | * | * | trans | 36.9 | 144.1 | 140.8 | 58.9 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1003 | S | 28.7 | Very low | 34.4 | Very low | 125 Ų | 125 | 118.8 Ų | 118.8 | 87% | 0.874 | 70% | 0.695 | S | S | * | * | trans | -153.6 | 169.8 | 136.1 | 67.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1004 | A | 23.2 | Very low | 36.3 | Very low | 93 Ų | 93 | 117.7 Ų | 117.7 | 77% | 0.769 | 68% | 0.684 | S | S | * | * | trans | -164.8 | -160.2 | -169 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1005 | P | 29.8 | Very low | 39.1 | Very low | 107 Ų | 107 | 109.6 Ų | 109.6 | 70% | 0.695 | 65% | 0.649 | S | S | * | * | cis | -147.6 | -177.1 | -0.3 | 45.6 | -25.8 | 0 | 0 | 0 | 118.6 | ||||
| 1006 | I | 24.8 | Very low | 41.8 | Very low | 159 Ų | 159 | 110.2 Ų | 110.2 | 82% | 0.815 | 64% | 0.643 | S | S | * | * | trans | 72.4 | 122 | 144.2 | -75.3 | 155.2 | 0 | 0 | 0 | 122.5 | ||||
| 1007 | S | 34.1 | Very low | 44.8 | Very low | 123 Ų | 123 | 101.7 Ų | 101.7 | 86% | 0.86 | 61% | 0.608 | S | S | * | * | trans | -177.3 | 162.5 | 143.1 | 38.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1008 | G | 36.7 | Very low | 47.7 | Very low | 71 Ų | 71 | 103.9 Ų | 103.9 | 73% | 0.732 | 60% | 0.595 | S | S | * | * | cis | 163 | 65.6 | -18.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1009 | P | 39.2 | Very low | 50.5 | Low | 98 Ų | 98 | 94.3 Ų | 94.3 | 64% | 0.636 | 57% | 0.568 | S | S | * | * | trans | -104 | 137.1 | -176 | 37.2 | -28.9 | 0 | 0 | 0 | 115 | A1013 | P1009-A1013 WeakPolarHBondContact O-CB 3.48Š| ||
| 1010 | E | 54.5 | Low | 53 | Low | 184 Ų | 184 | 90.5 Ų | 90.5 | 86% | 0.86 | 55% | 0.553 | S | S | * | * | trans | -112.1 | 168.9 | 177.1 | -68.9 | -169 | 125 | 0 | 0 | 113.3 | A1012 | E1010-A1012 VanDerWaalsContact C-N 3.28Å; E1010-A1012 PolarHBondContact O-N 2.77Å | ||
| 1011 | A | 58.1 | Low | 55.8 | Low | 60 Ų | 60 | 82.3 Ų | 82.3 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | S | Bend | trans | 61.1 | -64.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | A1013 L1014 | A1011-A1013 PolarHBondContact O-N 2.64Å; A1011-L1014 PolarHBondContact O-N 3.46Å |
| 1012 | A | 63.1 | Low | 58.8 | Low | 13 Ų | 13 | 78.8 Ų | 78.8 | 11% | 0.107 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -15.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E1010 L1014 T1088 | E1010-A1012 VanDerWaalsContact C-N 3.28Å; E1010-A1012 PolarHBondContact O-N 2.77Å; A1012-L1014 VanDerWaalsContact C-N 3.31Å; A1012-T1088 HydrophobicContact CB-CG2 4.12Å |
| 1013 | A | 67.6 | Low | 61.4 | Low | 36 Ų | 36 | 78.7 Ų | 78.7 | 30% | 0.298 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -5.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P1009 A1011 | P1009-A1013 WeakPolarHBondContact O-CB 3.48Å; A1011-A1013 PolarHBondContact O-N 2.64Å |
| 1014 | L | 75.4 | Confident | 64 | Low | 75 Ų | 75 | 80.2 Ų | 80.2 | 39% | 0.393 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -86 | -31.8 | 176.9 | -64.7 | 171.3 | 0 | 0 | 0 | 112.4 | A1011 A1012 A1040 | A1011-L1014 PolarHBondContact O-N 3.46Å; A1012-L1014 VanDerWaalsContact C-N 3.31Å; L1014-A1040 HydrophobicContact CB-CB 4.11Å |
| 1015 | V | 81.8 | Confident | 66.8 | Low | 1 Ų | 1 | 76.4 Ų | 76.4 | 1% | 0.006 | 43% | 0.426 | C | S | . | . | trans | -77.7 | 134.3 | 172.2 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | I1035 D1036 A1040 L1045 Y1085 I1090 | V1015-I1035 HydrophobicContact CG1-CG2 3.62Å; V1015-D1036 WeakPolarHBondContact CA-O 3.22Å; V1015-A1040 HydrophobicContact CG2-CB 3.55Å; V1015-L1045 HydrophobicContact CG1-CD1 4.25Å; V1015-Y1085 HydrophobicContact CG2-CD1 3.92Å; V1015-Y1085 HydrophobicContact CG2-CD2 3.86Å; V1015-Y1085 HydrophobicContact CG2-CE1 4.21Å; V1015-Y1085 HydrophobicContact CG2-CE2 4.16Å; V1015-Y1085 HydrophobicContact CG2-CG 3.73Å; V1015-I1090 HydrophobicContact CB-CG2 3.88Å; V1015-I1090 HydrophobicContact CG1-CD1 4.4Å; V1015-I1090 HydrophobicContact CG1-CG2 3.86Å | ||
| 1016 | R | 83.6 | Confident | 69.3 | Low | 119 Ų | 119 | 72 Ų | 72 | 45% | 0.449 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 138.8 | -177.7 | -54.9 | 178.6 | -169.5 | 121.6 | 13.1 | 109.2 | I1035 D1036 D1039 | R1016-I1035 CarbonylContact O-C 3.51Å; R1016-I1035 WeakPolarHBondContact O-CA 3.42Å; R1016-D1036 PolarHBondContact N-O 2.85Å; R1016-D1036 PolarHBondContact O-N 2.94Å; R1016-D1039 IonicContact CZ-OD2 3.21Å; R1016-D1039 VanDerWaalsContact CZ-OD2 3.28Å; R1016-D1039 IonicContact NH1-OD2 2.9Å; R1016-D1039 PolarHBondContact NH1-OD2 3.29Å; R1016-D1039 VanDerWaalsContact NH1-OD2 3.09Å; R1016-D1039 IonicContact NH2-OD2 3.81Å; R1016-D1039 PolarHBondContact NH2-OD2 2.82Å |
| 1017 | A | 86.2 | Confident | 72 | Confident | 13 Ų | 13 | 65.1 Ų | 65.1 | 11% | 0.107 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 139.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | L1022 F1033 T1034 I1035 I1090 F1095 | A1017-L1022 VanDerWaalsContact C-CD1 3.41Å; A1017-L1022 HydrophobicContact CB-CD1 3.63Å; A1017-L1022 HydrophobicContact CB-CD2 4.47Å; A1017-F1033 HydrophobicContact CB-CD2 4.25Å; A1017-F1033 HydrophobicContact CB-CE2 4.46Å; A1017-T1034 CarbonylContact C-O 3.6Å; A1017-T1034 VanDerWaalsContact CA-O 3.29Å; A1017-T1034 WeakPolarHBondContact CA-O 3.36Å; A1017-I1035 HydrophobicContact CB-CG1 4.14Å; A1017-I1090 HydrophobicContact CB-CD1 3.59Å; A1017-F1095 HydrophobicContact CB-CE2 4.15Å; A1017-F1095 HydrophobicContact CB-CZ 4.02Å |
| 1018 | Y | 87.7 | Confident | 74.2 | Confident | 116 Ų | 116 | 62 Ų | 62 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 144.1 | -179.9 | 57.1 | -98.4 | 0 | 0 | 0 | 112 | T1034 D1036 | Y1018-T1034 HydrophobicContact CE2-CG2 4.26Å; Y1018-T1034 PolarHBondContact N-O 2.96Å; Y1018-T1034 PolarHBondContact O-N 3.4Å; Y1018-D1036 HydrophobicContact CE1-CB 3.73Å |
| 1019 | G | 84.1 | Confident | 76.4 | Confident | 30 Ų | 30 | 63 Ų | 63 | 31% | 0.309 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 140.6 | 157.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G1021 L1022 | G1019-G1021 PolarHBondContact O-N 3.35Å; G1019-L1022 PolarHBondContact O-N 3.09Å; G1019-L1022 VanDerWaalsContact O-N 3.15Å |
| 1020 | D | 80.1 | Confident | 78.6 | Confident | 93 Ų | 93 | 63.4 Ų | 63.4 | 50% | 0.497 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -55.5 | -36.9 | -175.2 | -85.4 | 17.5 | 0 | 0 | 0 | 113.2 | L1022 Y1023 R1024 | D1020-L1022 PolarHBondContact O-N 2.8Å; D1020-Y1023 PolarHBondContact O-N 2.78Å; D1020-R1024 HydrophobicContact CB-CG 4.25Å; D1020-R1024 PolarHBondContact O-N 3.02Å; D1020-R1024 VanDerWaalsContact O-O 3.08Å; D1020-R1024 IonicContact OD1-NE 2.85Å; D1020-R1024 IonicContact OD1-NH2 3.61Å; D1020-R1024 IonicContact OD2-CZ 2.67Å; D1020-R1024 IonicContact OD2-NE 4Å; D1020-R1024 PolarHBondContact OD2-NE 2.82Å; D1020-R1024 IonicContact OD2-NH2 3.42Å; D1020-R1024 PolarHBondContact OD2-NH2 3.33Å |
| 1021 | G | 83.7 | Confident | 80.2 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -65.6 | -3.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | G1019 K1032 Y1071 V1097 | G1019-G1021 PolarHBondContact O-N 3.35Å; G1021-K1032 WeakPolarHBondContact CA-O 3.46Å; G1021-K1032 PolarHBondContact N-O 2.87Å; G1021-Y1071 WeakPolarHBondContact O-CE1 3.16Å; G1021-Y1071 PolarHBondContact O-OH 3.45Å; G1021-V1097 WeakPolarHBondContact O-CG2 3.46Å |
| 1022 | L | 86.7 | Confident | 81.6 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -87.8 | -8.4 | 170.1 | -64.7 | 173.9 | 0 | 0 | 0 | 113.4 | A1017 G1019 D1020 F1033 V1081 F1095 | A1017-L1022 VanDerWaalsContact C-CD1 3.41Å; A1017-L1022 HydrophobicContact CB-CD1 3.63Å; A1017-L1022 HydrophobicContact CB-CD2 4.47Å; G1019-L1022 PolarHBondContact O-N 3.09Å; G1019-L1022 VanDerWaalsContact O-N 3.15Å; D1020-L1022 PolarHBondContact O-N 2.8Å; L1022-F1033 HydrophobicContact CD1-CB 4.15Å; L1022-F1033 HydrophobicContact CD1-CD2 4.21Å; L1022-F1033 HydrophobicContact CD1-CG 4.33Å; L1022-F1033 HydrophobicContact CD2-CB 4.2Å; L1022-F1033 HydrophobicContact CD2-CD1 3.84Å; L1022-F1033 HydrophobicContact CD2-CD2 3.59Å; L1022-F1033 HydrophobicContact CD2-CE1 4.01Å; L1022-F1033 HydrophobicContact CD2-CE2 3.74Å; L1022-F1033 HydrophobicContact CD2-CG 3.62Å; L1022-F1033 HydrophobicContact CD2-CZ 3.95Å; L1022-F1033 HydrophobicContact CG-CB 3.73Å; L1022-F1033 HydrophobicContact CG-CD1 4.22Å; L1022-F1033 HydrophobicContact CG-CD2 3.98Å; L1022-F1033 HydrophobicContact CG-CG 3.74Å; L1022-V1081 HydrophobicContact CD2-CG1 4.15Å; L1022-F1095 HydrophobicContact CB-CB 4.38Å; L1022-F1095 HydrophobicContact CB-CD1 4.01Å; L1022-F1095 HydrophobicContact CB-CG 4.25Å; L1022-F1095 HydrophobicContact CD1-CD1 4.29Å; L1022-F1095 HydrophobicContact CD1-CE1 4.04Å; L1022-F1095 HydrophobicContact CD1-CZ 4.19Å; L1022-F1095 HydrophobicContact CD2-CB 4.22Å; L1022-F1095 HydrophobicContact CD2-CD1 4.27Å; L1022-F1095 HydrophobicContact CD2-CD2 3.8Å; L1022-F1095 HydrophobicContact CD2-CE2 4.16Å; L1022-F1095 HydrophobicContact CD2-CG 3.87Å; L1022-F1095 HydrophobicContact CG-CD1 4.42Å; L1022-F1095 HydrophobicContact CG-CG 4.48Å |
| 1023 | Y | 81.5 | Confident | 83 | Confident | 137 Ų | 137 | 56.7 Ų | 56.7 | 54% | 0.537 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136 | -35.9 | -172.9 | -50.6 | -68.6 | 0 | 0 | 0 | 113.3 | D1020 F1095 R1098 | D1020-Y1023 PolarHBondContact O-N 2.78Å; Y1023-F1095 HydrophobicContact CE1-CD1 4.23Å; Y1023-R1098 PolarHBondContact O-N 2.81Å |
| 1024 | R | 81.6 | Confident | 83.9 | Confident | 157 Ų | 157 | 56.8 Ų | 56.8 | 59% | 0.592 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 142.7 | -176.4 | 63.2 | 179 | -179.3 | -169.5 | -2.4 | 112.2 | D1020 | D1020-R1024 HydrophobicContact CB-CG 4.25Å; D1020-R1024 PolarHBondContact O-N 3.02Å; D1020-R1024 VanDerWaalsContact O-O 3.08Å; D1020-R1024 IonicContact OD1-NE 2.85Å; D1020-R1024 IonicContact OD1-NH2 3.61Å; D1020-R1024 IonicContact OD2-CZ 2.67Å; D1020-R1024 IonicContact OD2-NE 4Å; D1020-R1024 PolarHBondContact OD2-NE 2.82Å; D1020-R1024 IonicContact OD2-NH2 3.42Å; D1020-R1024 PolarHBondContact OD2-NH2 3.33Å |
| 1025 | A | 82.2 | Confident | 84.6 | Confident | 13 Ų | 13 | 53.2 Ų | 53.2 | 11% | 0.107 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 174.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | A1031 P1073 V1097 R1098 V1099 A1100 | A1025-A1031 HydrophobicContact CB-CB 3.67Å; A1025-P1073 HydrophobicContact CB-CG 3.97Å; A1025-V1097 HydrophobicContact CB-CG1 4.14Å; A1025-R1098 PolarHBondContact N-O 3.19Å; A1025-R1098 VanDerWaalsContact N-O 3.09Å; A1025-V1099 HydrophobicContact CB-CG1 4.47Å; A1025-V1099 HydrophobicContact CB-CG2 4.19Å; A1025-V1099 WeakPolarHBondContact O-CA 3.3Å; A1025-A1100 PolarHBondContact O-N 3.33Å |
| 1026 | T | 83.1 | Confident | 84.8 | Confident | 15 Ų | 15 | 54.2 Ų | 54.2 | 9% | 0.092 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 135.8 | 174.6 | -37.7 | 0 | 0 | 0 | 0 | 108.3 | G1028 K1029 A1100 L1102 E1105 | T1026-G1028 PolarHBondContact O-N 3.41Å; T1026-K1029 HydrophobicContact CG2-CD 4.41Å; T1026-K1029 PolarHBondContact O-N 2.89Å; T1026-A1100 WeakPolarHBondContact CA-O 3.47Å; T1026-A1100 WeakPolarHBondContact CG2-O 3.17Å; T1026-L1102 HydrophobicContact CG2-CB 4.41Å; T1026-L1102 HydrophobicContact CG2-CD1 3.94Å; T1026-E1105 HydrophobicContact CG2-CG 4.23Å; T1026-E1105 WeakPolarHBondContact CG2-OE1 3.44Å; T1026-E1105 PolarHBondContact OG1-OE1 2.82Å |
| 1027 | A | 81.1 | Confident | 84.9 | Confident | 14 Ų | 14 | 50.5 Ų | 50.5 | 12% | 0.116 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 129.4 | 179 | 0 | 0 | 0 | 0 | 0 | 110.7 | K1029 P1076 V1099 A1100 | A1027-K1029 PolarHBondContact O-N 3.19Å; A1027-P1076 HydrophobicContact CB-CB 4.41Å; A1027-V1099 HydrophobicContact CB-CG1 4.17Å; A1027-A1100 PolarHBondContact N-O 3.05Å |
| 1028 | G | 81.3 | Confident | 84.6 | Confident | 57 Ų | 57 | 55.1 Ų | 55.1 | 59% | 0.588 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 1.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | T1026 P1073 | T1026-G1028 PolarHBondContact O-N 3.41Å; G1028-P1073 PolarHBondContact N-O 3.27Å |
| 1029 | K | 82.7 | Confident | 84.1 | Confident | 92 Ų | 92 | 54 Ų | 54 | 40% | 0.4 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -107.6 | 144.2 | 171.6 | -61.6 | -176.1 | -166.8 | 160.8 | 0 | 111.2 | T1026 A1027 A1031 L1102 E1105 | T1026-K1029 HydrophobicContact CG2-CD 4.41Å; T1026-K1029 PolarHBondContact O-N 2.89Å; A1027-K1029 PolarHBondContact O-N 3.19Å; K1029-A1031 PolarHBondContact O-N 2.95Å; K1029-L1102 HydrophobicContact CG-CD1 4.42Å; K1029-E1105 IonicContact NZ-OE1 3.69Å; K1029-E1105 PolarHBondContact NZ-OE1 2.89Å |
| 1030 | Q | 84.9 | Confident | 83.3 | Confident | 106 Ų | 106 | 53.3 Ų | 53.3 | 50% | 0.495 | 27% | 0.273 | S | S | . | . | trans | -64.2 | 125.2 | 169.8 | -75.6 | -162.1 | -37 | 0 | 0 | 111.1 | D1070 Y1071 | Q1030-D1070 PolarHBondContact NE2-OD2 3.31Å; Q1030-Y1071 WeakPolarHBondContact CA-O 3.28Å | ||
| 1031 | A | 86.9 | Confident | 83 | Confident | 8 Ų | 8 | 52.2 Ų | 52.2 | 7% | 0.066 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 141.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | A1025 K1029 D1070 Y1071 | A1025-A1031 HydrophobicContact CB-CB 3.67Å; K1029-A1031 PolarHBondContact O-N 2.95Å; A1031-D1070 VanDerWaalsContact O-CA 3.32Å; A1031-D1070 WeakPolarHBondContact O-CA 3.32Å; A1031-Y1071 HydrophobicContact CB-CD1 4.12Å; A1031-Y1071 HydrophobicContact CB-CD2 4.3Å; A1031-Y1071 HydrophobicContact CB-CE1 3.62Å; A1031-Y1071 HydrophobicContact CB-CE2 3.81Å; A1031-Y1071 HydrophobicContact CB-CG 4.43Å; A1031-Y1071 VanDerWaalsContact CB-CZ 3.43Å; A1031-Y1071 PolarHBondContact N-O 3.13Å; A1031-Y1071 PolarHBondContact O-N 2.95Å |
| 1032 | K | 88.5 | Confident | 82.4 | Confident | 104 Ų | 104 | 58.7 Ų | 58.7 | 45% | 0.452 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 145.5 | -172.7 | -49.1 | -151.2 | 174.2 | -139.5 | 0 | 112.8 | G1021 V1069 D1070 | G1021-K1032 WeakPolarHBondContact CA-O 3.46Å; G1021-K1032 PolarHBondContact N-O 2.87Å; K1032-V1069 WeakPolarHBondContact CA-O 3.46Å; K1032-D1070 HydrophobicContact CB-CB 4.34Å; K1032-D1070 HydrophobicContact CD-CB 3.76Å; K1032-D1070 HydrophobicContact CG-CB 3.66Å; K1032-D1070 IonicContact NZ-OD1 3.13Å; K1032-D1070 PolarHBondContact NZ-OD1 3.46Å |
| 1033 | F | 92 | Very high | 81.7 | Confident | 5 Ų | 5 | 60.5 Ų | 60.5 | 2% | 0.022 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 163.5 | 169.4 | 66.6 | -86.9 | 0 | 0 | 0 | 111 | A1017 L1022 I1035 V1047 V1069 Y1071 V1081 V1083 | A1017-F1033 HydrophobicContact CB-CD2 4.25Å; A1017-F1033 HydrophobicContact CB-CE2 4.46Å; L1022-F1033 HydrophobicContact CD1-CB 4.15Å; L1022-F1033 HydrophobicContact CD1-CD2 4.21Å; L1022-F1033 HydrophobicContact CD1-CG 4.33Å; L1022-F1033 HydrophobicContact CD2-CB 4.2Å; L1022-F1033 HydrophobicContact CD2-CD1 3.84Å; L1022-F1033 HydrophobicContact CD2-CD2 3.59Å; L1022-F1033 HydrophobicContact CD2-CE1 4.01Å; L1022-F1033 HydrophobicContact CD2-CE2 3.74Å; L1022-F1033 HydrophobicContact CD2-CG 3.62Å; L1022-F1033 HydrophobicContact CD2-CZ 3.95Å; L1022-F1033 HydrophobicContact CG-CB 3.73Å; L1022-F1033 HydrophobicContact CG-CD1 4.22Å; L1022-F1033 HydrophobicContact CG-CD2 3.98Å; L1022-F1033 HydrophobicContact CG-CG 3.74Å; F1033-I1035 HydrophobicContact CD2-CG1 4.04Å; F1033-I1035 HydrophobicContact CE2-CD1 3.89Å; F1033-I1035 HydrophobicContact CE2-CG1 3.66Å; F1033-V1047 HydrophobicContact CZ-CG1 4.05Å; F1033-V1069 HydrophobicContact CD1-CB 4.31Å; F1033-V1069 HydrophobicContact CD2-CB 4.34Å; F1033-V1069 HydrophobicContact CE1-CB 3.98Å; F1033-V1069 HydrophobicContact CE1-CG1 3.81Å; F1033-V1069 HydrophobicContact CE2-CB 4.02Å; F1033-V1069 HydrophobicContact CE2-CG1 4.43Å; F1033-V1069 HydrophobicContact CE2-CG2 4.11Å; F1033-V1069 HydrophobicContact CG-CB 4.49Å; F1033-V1069 HydrophobicContact CZ-CB 3.84Å; F1033-V1069 HydrophobicContact CZ-CG1 3.76Å; F1033-V1069 HydrophobicContact CZ-CG2 4.24Å; F1033-V1069 PolarHBondContact N-O 3.48Å; F1033-V1069 PolarHBondContact O-N 3Å; F1033-Y1071 HydrophobicContact CD1-CE1 4.26Å; F1033-Y1071 HydrophobicContact CE1-CD1 4.21Å; F1033-Y1071 HydrophobicContact CE1-CE1 4.17Å; F1033-V1081 HydrophobicContact CE1-CG1 3.82Å; F1033-V1081 HydrophobicContact CZ-CG1 3.69Å; F1033-V1083 HydrophobicContact CE2-CG2 3.85Å; F1033-V1083 HydrophobicContact CZ-CG2 4.03Å |
| 1034 | T | 87.6 | Confident | 81.3 | Confident | 37 Ų | 37 | 58.7 Ų | 58.7 | 23% | 0.227 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 139.5 | 176.6 | -57.6 | 0 | 0 | 0 | 0 | 109.1 | A1017 Y1018 | A1017-T1034 CarbonylContact C-O 3.6Å; A1017-T1034 VanDerWaalsContact CA-O 3.29Å; A1017-T1034 WeakPolarHBondContact CA-O 3.36Å; Y1018-T1034 HydrophobicContact CE2-CG2 4.26Å; Y1018-T1034 PolarHBondContact N-O 2.96Å; Y1018-T1034 PolarHBondContact O-N 3.4Å |
| 1035 | I | 89.1 | Confident | 81.1 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 121.2 | 167.7 | -52.2 | 169 | 0 | 0 | 0 | 107.7 | V1015 R1016 A1017 F1033 L1045 V1047 T1066 C1067 V1069 V1083 | V1015-I1035 HydrophobicContact CG1-CG2 3.62Å; R1016-I1035 CarbonylContact O-C 3.51Å; R1016-I1035 WeakPolarHBondContact O-CA 3.42Å; A1017-I1035 HydrophobicContact CB-CG1 4.14Å; F1033-I1035 HydrophobicContact CD2-CG1 4.04Å; F1033-I1035 HydrophobicContact CE2-CD1 3.89Å; F1033-I1035 HydrophobicContact CE2-CG1 3.66Å; I1035-L1045 HydrophobicContact CB-CD2 4.25Å; I1035-L1045 HydrophobicContact CD1-CD2 3.82Å; I1035-L1045 HydrophobicContact CD1-CG 4.43Å; I1035-L1045 HydrophobicContact CG2-CD1 4.07Å; I1035-L1045 HydrophobicContact CG2-CD2 3.96Å; I1035-V1047 HydrophobicContact CD1-CG2 3.61Å; I1035-T1066 CarbonylContact O-C 3.53Å; I1035-T1066 VanDerWaalsContact O-CA 3.29Å; I1035-T1066 WeakPolarHBondContact O-CA 3.4Å; I1035-C1067 PolarHBondContact N-O 3.34Å; I1035-C1067 PolarHBondContact O-N 2.82Å; I1035-V1069 HydrophobicContact CD1-CG2 3.83Å; I1035-V1069 HydrophobicContact CG1-CG2 4.21Å; I1035-V1083 HydrophobicContact CD1-CG1 3.66Å; I1035-V1083 HydrophobicContact CD1-CG2 4.33Å; I1035-V1083 HydrophobicContact CG1-CG1 4.26Å |
| 1036 | D | 87 | Confident | 81.1 | Confident | 21 Ų | 21 | 55.8 Ų | 55.8 | 11% | 0.112 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 123.7 | 177 | 171.6 | 12.9 | 0 | 0 | 0 | 109.4 | V1015 R1016 Y1018 Q1038 T1066 | V1015-D1036 WeakPolarHBondContact CA-O 3.22Å; R1016-D1036 PolarHBondContact N-O 2.85Å; R1016-D1036 PolarHBondContact O-N 2.94Å; Y1018-D1036 HydrophobicContact CE1-CB 3.73Å; D1036-Q1038 WeakPolarHBondContact OD1-CB 3.41Å; D1036-Q1038 WeakPolarHBondContact OD1-CG 3.35Å; D1036-Q1038 PolarHBondContact OD1-N 3.18Å; D1036-T1066 HydrophobicContact CB-CG2 3.99Å |
| 1037 | S | 84.6 | Confident | 81.3 | Confident | 42 Ų | 42 | 55.5 Ų | 55.5 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | trans | -124.5 | 13.5 | -179.8 | 63.8 | 0 | 0 | 0 | 0 | 113 | D1039 A1040 G1065 | S1037-D1039 VanDerWaalsContact C-N 3.26Å; S1037-D1039 PolarHBondContact O-N 2.71Å; S1037-A1040 WeakPolarHBondContact O-CB 3.48Å; S1037-A1040 PolarHBondContact O-N 3.1Å; S1037-G1065 PolarHBondContact N-O 3.39Å; S1037-G1065 PolarHBondContact OG-O 3.27Å | ||
| 1038 | Q | 80.8 | Confident | 81.5 | Confident | 109 Ų | 109 | 57.8 Ų | 57.8 | 51% | 0.509 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -35.6 | -175.8 | -68 | -176.6 | 4.6 | 0 | 0 | 113.2 | D1036 A1040 D1064 T1066 | D1036-Q1038 WeakPolarHBondContact OD1-CB 3.41Å; D1036-Q1038 WeakPolarHBondContact OD1-CG 3.35Å; D1036-Q1038 PolarHBondContact OD1-N 3.18Å; Q1038-A1040 VanDerWaalsContact C-N 3.29Å; Q1038-A1040 PolarHBondContact O-N 3.49Å; Q1038-D1064 WeakPolarHBondContact CG-O 3.22Å; Q1038-D1064 PolarHBondContact NE2-O 2.94Å; Q1038-D1064 PolarHBondContact NE2-OD2 2.82Å; Q1038-T1066 HydrophobicContact CG-CG2 4.41Å |
| 1039 | D | 76.1 | Confident | 81.7 | Confident | 93 Ų | 93 | 56 Ų | 56 | 50% | 0.497 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 0.9 | 177.1 | -72.9 | -35.1 | 0 | 0 | 0 | 113.5 | R1016 S1037 | R1016-D1039 IonicContact CZ-OD2 3.21Å; R1016-D1039 VanDerWaalsContact CZ-OD2 3.28Å; R1016-D1039 IonicContact NH1-OD2 2.9Å; R1016-D1039 PolarHBondContact NH1-OD2 3.29Å; R1016-D1039 VanDerWaalsContact NH1-OD2 3.09Å; R1016-D1039 IonicContact NH2-OD2 3.81Å; R1016-D1039 PolarHBondContact NH2-OD2 2.82Å; S1037-D1039 VanDerWaalsContact C-N 3.26Å; S1037-D1039 PolarHBondContact O-N 2.71Å |
| 1040 | A | 68.6 | Low | 81.4 | Confident | 16 Ų | 16 | 56.5 Ų | 56.5 | 13% | 0.132 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -117.4 | 151.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1014 V1015 S1037 Q1038 | L1014-A1040 HydrophobicContact CB-CB 4.11Å; V1015-A1040 HydrophobicContact CG2-CB 3.55Å; S1037-A1040 WeakPolarHBondContact O-CB 3.48Å; S1037-A1040 PolarHBondContact O-N 3.1Å; Q1038-A1040 VanDerWaalsContact C-N 3.29Å; Q1038-A1040 PolarHBondContact O-N 3.49Å |
| 1041 | P | 72.3 | Confident | 81.2 | Confident | 70 Ų | 70 | 53.4 Ų | 53.4 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | trans | -62.2 | 147.9 | 172.7 | -23.6 | 33.6 | 0 | 0 | 0 | 113.3 | A1043 Y1085 | P1041-A1043 PolarHBondContact O-N 3.23Å; P1041-Y1085 PolarHBondContact O-OH 3.43Å | ||
| 1042 | P | 71 | Confident | 80.4 | Confident | 136 Ų | 136 | 56.4 Ų | 56.4 | 88% | 0.883 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -60.3 | 124.1 | 173.4 | -24.2 | 34.4 | 0 | 0 | 0 | 112.3 | ||
| 1043 | A | 72.6 | Confident | 79.8 | Confident | 37 Ų | 37 | 52.4 Ų | 52.4 | 31% | 0.306 | 32% | 0.324 | S | S | . | . | trans | -163.1 | 170.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | P1041 L1045 Y1085 K1086 | P1041-A1043 PolarHBondContact O-N 3.23Å; A1043-L1045 PolarHBondContact O-N 3.35Å; A1043-Y1085 HydrophobicContact CB-CD2 4.42Å; A1043-Y1085 HydrophobicContact CB-CE2 3.65Å; A1043-K1086 HydrophobicContact CB-CD 4.01Å; A1043-K1086 HydrophobicContact CB-CG 3.57Å | ||
| 1044 | P | 74.2 | Confident | 79.2 | Confident | 99 Ų | 99 | 61.3 Ų | 61.3 | 64% | 0.643 | 37% | 0.366 | S | S | * | . | trans | -59.7 | 134.3 | 176 | -24 | 35.4 | 0 | 0 | 0 | 112.9 | K1086 | P1044-K1086 PolarHBondContact O-N 2.92Š| ||
| 1045 | L | 77.4 | Confident | 78.8 | Confident | 63 Ų | 63 | 60 Ų | 60 | 33% | 0.33 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 131.5 | 174.3 | -173.4 | 80.9 | 0 | 0 | 0 | 107.3 | V1015 I1035 A1043 L1084 Y1085 | V1015-L1045 HydrophobicContact CG1-CD1 4.25Å; I1035-L1045 HydrophobicContact CB-CD2 4.25Å; I1035-L1045 HydrophobicContact CD1-CD2 3.82Å; I1035-L1045 HydrophobicContact CD1-CG 4.43Å; I1035-L1045 HydrophobicContact CG2-CD1 4.07Å; I1035-L1045 HydrophobicContact CG2-CD2 3.96Å; A1043-L1045 PolarHBondContact O-N 3.35Å; L1045-L1084 WeakPolarHBondContact CA-O 2.97Å; L1045-Y1085 HydrophobicContact CD1-CD2 4.48Å |
| 1046 | S | 81.4 | Confident | 78.4 | Confident | 47 Ų | 47 | 67.2 Ų | 67.2 | 33% | 0.329 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 150.6 | 177.8 | 60.7 | 0 | 0 | 0 | 0 | 111.3 | L1084 | S1046-L1084 PolarHBondContact N-O 2.78Å; S1046-L1084 PolarHBondContact O-N 2.88Å |
| 1047 | V | 86.6 | Confident | 78.4 | Confident | 8 Ų | 8 | 68.1 Ų | 68.1 | 5% | 0.048 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 127.2 | 176.8 | -176.1 | 0 | 0 | 0 | 0 | 108.7 | F1033 I1035 I1057 Y1059 V1081 N1082 V1083 | F1033-V1047 HydrophobicContact CZ-CG1 4.05Å; I1035-V1047 HydrophobicContact CD1-CG2 3.61Å; V1047-I1057 HydrophobicContact CG1-CD1 4.47Å; V1047-Y1059 HydrophobicContact CB-CE1 3.91Å; V1047-Y1059 HydrophobicContact CG2-CE1 3.92Å; V1047-Y1059 PolarHBondContact O-OH 3.06Å; V1047-Y1059 VanDerWaalsContact O-OH 3.06Å; V1047-V1081 HydrophobicContact CG1-CG1 4.24Å; V1047-N1082 CarbonylContact C-O 3.5Å; V1047-N1082 WeakPolarHBondContact CA-O 3.49Å; V1047-V1083 HydrophobicContact CG1-CG2 4.39Å; V1047-V1083 HydrophobicContact CG2-CG1 4.4Å; V1047-V1083 HydrophobicContact CG2-CG2 4.28Å |
| 1048 | T | 85.4 | Confident | 78.2 | Confident | 62 Ų | 62 | 69.2 Ų | 69.2 | 38% | 0.38 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 157.1 | 166.6 | 71.3 | 0 | 0 | 0 | 0 | 109.8 | E1050 N1082 | T1048-E1050 PolarHBondContact OG1-OE1 2.78Å; T1048-N1082 PolarHBondContact N-O 2.88Å; T1048-N1082 PolarHBondContact O-N 3.42Å; T1048-N1082 WeakPolarHBondContact OG1-CB 3.3Å; T1048-N1082 PolarHBondContact OG1-ND2 2.86Å |
| 1049 | I | 85.7 | Confident | 78.2 | Confident | 20 Ų | 20 | 70.3 Ų | 70.3 | 10% | 0.103 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 118.1 | 178.2 | -59 | -174.7 | 0 | 0 | 0 | 108.4 | A1055 I1057 Y1071 Y1079 I1080 V1081 | I1049-A1055 HydrophobicContact CB-CB 4.44Å; I1049-A1055 HydrophobicContact CG2-CB 3.99Å; I1049-I1057 HydrophobicContact CB-CD1 4.33Å; I1049-I1057 HydrophobicContact CD1-CD1 4.15Å; I1049-I1057 HydrophobicContact CD1-CG1 3.96Å; I1049-I1057 HydrophobicContact CG1-CD1 3.82Å; I1049-I1057 HydrophobicContact CG1-CG1 4.16Å; I1049-Y1071 VanDerWaalsContact CD1-CB 3.48Å; I1049-Y1071 HydrophobicContact CD1-CD1 3.42Å; I1049-Y1071 VanDerWaalsContact CD1-CD1 3.42Å; I1049-Y1071 HydrophobicContact CD1-CD2 3.6Å; I1049-Y1071 HydrophobicContact CD1-CE1 3.97Å; I1049-Y1071 HydrophobicContact CD1-CE2 4.15Å; I1049-Y1071 HydrophobicContact CD1-CG 3.21Å; I1049-Y1079 HydrophobicContact CG2-CD1 3.85Å; I1049-I1080 WeakPolarHBondContact CA-O 3.32Å; I1049-V1081 HydrophobicContact CD1-CG1 4.5Å; I1049-V1081 HydrophobicContact CD1-CG2 4.11Å; I1049-V1081 HydrophobicContact CG1-CB 4.47Å; I1049-V1081 HydrophobicContact CG1-CG1 4.23Å; I1049-V1081 HydrophobicContact CG1-CG2 4.06Å; I1049-V1081 HydrophobicContact CG2-CG2 4.36Å |
| 1050 | E | 77.7 | Confident | 78.3 | Confident | 102 Ų | 102 | 70.7 Ų | 70.7 | 48% | 0.477 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 145.4 | -179.5 | -73.2 | 148.5 | -145.3 | 0 | 0 | 109.5 | T1048 Y1079 I1080 N1082 | T1048-E1050 PolarHBondContact OG1-OE1 2.78Å; E1050-Y1079 CarbonylContact O-C 3.55Å; E1050-Y1079 VanDerWaalsContact O-CA 3.28Å; E1050-Y1079 WeakPolarHBondContact O-CA 3.16Å; E1050-I1080 HydrophobicContact CB-CB 4.43Å; E1050-I1080 PolarHBondContact N-O 2.85Å; E1050-I1080 PolarHBondContact O-N 3.46Å; E1050-N1082 PolarHBondContact OE1-ND2 3.11Å; E1050-N1082 PolarHBondContact OE2-ND2 2.85Å |
| 1051 | G | 79.3 | Confident | 78.8 | Confident | 41 Ų | 41 | 75.7 Ų | 75.7 | 42% | 0.423 | 42% | 0.424 | S | S | . | . | S | Bend | trans | 171.7 | -175.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1053 | G1051-A1053 PolarHBondContact O-N 2.91Š|
| 1052 | P | 70.4 | Confident | 79.1 | Confident | 71 Ų | 71 | 76.1 Ų | 76.1 | 46% | 0.461 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -59.4 | -26.9 | -179.1 | 21.9 | -34.3 | 0 | 0 | 0 | 114.6 | E1075 P1078 Y1079 | P1052-E1075 HydrophobicContact CG-CB 4.4Å; P1052-P1078 VanDerWaalsContact CD-O 3.26Å; P1052-P1078 WeakPolarHBondContact CD-O 3.43Å; P1052-Y1079 VanDerWaalsContact CD-CE2 3.48Å; P1052-Y1079 HydrophobicContact CG-CD2 4.24Å; P1052-Y1079 HydrophobicContact CG-CE2 3.56Å |
| 1053 | A | 76.4 | Confident | 79.1 | Confident | 21 Ų | 21 | 73 Ų | 73 | 17% | 0.174 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -140 | 146.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G1051 A1055 T1074 E1075 Y1079 | G1051-A1053 PolarHBondContact O-N 2.91Å; A1053-A1055 PolarHBondContact O-N 3.34Å; A1053-T1074 WeakPolarHBondContact CB-OG1 3.43Å; A1053-E1075 HydrophobicContact CB-CB 4.24Å; A1053-E1075 HydrophobicContact CB-CG 3.9Å; A1053-Y1079 PolarHBondContact N-OH 2.89Å; A1053-Y1079 VanDerWaalsContact O-CE1 3.25Å; A1053-Y1079 WeakPolarHBondContact O-CE1 3.45Å; A1053-Y1079 PolarHBondContact O-OH 2.69Å; A1053-Y1079 VanDerWaalsContact O-OH 3.11Å |
| 1054 | E | 78.1 | Confident | 79.5 | Confident | 191 Ų | 191 | 75.6 Ų | 75.6 | 89% | 0.893 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 120.7 | -177.8 | -171.4 | 179.2 | -161.2 | 0 | 0 | 111.9 | ||
| 1055 | A | 79.9 | Confident | 79.4 | Confident | 9 Ų | 9 | 72.3 Ų | 72.3 | 7% | 0.074 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -99.5 | 121.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1049 A1053 I1057 Y1071 Y1079 | I1049-A1055 HydrophobicContact CB-CB 4.44Å; I1049-A1055 HydrophobicContact CG2-CB 3.99Å; A1053-A1055 PolarHBondContact O-N 3.34Å; A1055-I1057 PolarHBondContact O-N 3.42Å; A1055-Y1071 HydrophobicContact CB-CD2 4.3Å; A1055-Y1079 HydrophobicContact CB-CE1 4.19Å |
| 1056 | K | 80.9 | Confident | 79.7 | Confident | 154 Ų | 154 | 69.8 Ų | 69.8 | 67% | 0.67 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 127.7 | 176.4 | -177.6 | 175.4 | 179.4 | 176.5 | 0 | 111 | Y1071 L1072 | K1056-Y1071 WeakPolarHBondContact O-CA 3.35Å; K1056-Y1071 WeakPolarHBondContact O-CB 3.27Å; K1056-L1072 PolarHBondContact O-N 3.17Å |
| 1057 | I | 86.8 | Confident | 79.8 | Confident | 39 Ų | 39 | 68.6 Ų | 68.6 | 20% | 0.2 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 140.2 | 179 | -49.1 | 173.2 | 0 | 0 | 0 | 110.2 | V1047 I1049 A1055 Y1059 V1069 D1070 | V1047-I1057 HydrophobicContact CG1-CD1 4.47Å; I1049-I1057 HydrophobicContact CB-CD1 4.33Å; I1049-I1057 HydrophobicContact CD1-CD1 4.15Å; I1049-I1057 HydrophobicContact CD1-CG1 3.96Å; I1049-I1057 HydrophobicContact CG1-CD1 3.82Å; I1049-I1057 HydrophobicContact CG1-CG1 4.16Å; A1055-I1057 PolarHBondContact O-N 3.42Å; I1057-Y1059 HydrophobicContact CG2-CE1 4.1Å; I1057-Y1059 HydrophobicContact CG2-CE2 4.1Å; I1057-V1069 HydrophobicContact CG2-CG1 3.79Å; I1057-D1070 CarbonylContact C-O 3.55Å |
| 1058 | N | 81 | Confident | 79.8 | Confident | 66 Ų | 66 | 69 Ų | 69 | 35% | 0.353 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 148 | 166.3 | -49.1 | -64.9 | 0 | 0 | 0 | 110 | V1069 D1070 | N1058-V1069 WeakPolarHBondContact O-CA 3.22Å; N1058-D1070 PolarHBondContact N-O 3.1Å; N1058-D1070 PolarHBondContact ND2-OD2 3.12Å; N1058-D1070 PolarHBondContact O-N 3.35Å; N1058-D1070 VanDerWaalsContact O-N 3.09Å |
| 1059 | Y | 80.7 | Confident | 79.9 | Confident | 131 Ų | 131 | 66.1 Ų | 66.1 | 51% | 0.514 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 142.2 | 176.8 | -53 | -88.7 | 0 | 0 | 0 | 110.5 | V1047 I1057 V1069 | V1047-Y1059 HydrophobicContact CB-CE1 3.91Å; V1047-Y1059 HydrophobicContact CG2-CE1 3.92Å; V1047-Y1059 PolarHBondContact O-OH 3.06Å; V1047-Y1059 VanDerWaalsContact O-OH 3.06Å; I1057-Y1059 HydrophobicContact CG2-CE1 4.1Å; I1057-Y1059 HydrophobicContact CG2-CE2 4.1Å; Y1059-V1069 HydrophobicContact CD1-CG2 4.13Å |
| 1060 | N | 78.2 | Confident | 80.1 | Confident | 102 Ų | 102 | 66.6 Ų | 66.6 | 55% | 0.545 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 99.2 | 174.5 | -173.1 | 91.7 | 0 | 0 | 0 | 110.1 | N1062 G1068 | N1060-N1062 PolarHBondContact ND2-OD1 2.81Å; N1060-N1062 VanDerWaalsContact ND2-OD1 3.13Å; N1060-N1062 PolarHBondContact O-N 2.62Å; N1060-N1062 PolarHBondContact O-OD1 3.07Å; N1060-G1068 PolarHBondContact N-O 3.36Å; N1060-G1068 PolarHBondContact O-N 3.34Å |
| 1061 | D | 78 | Confident | 80.7 | Confident | 120 Ų | 120 | 61.8 Ų | 61.8 | 64% | 0.642 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 126 | 171.2 | -175.9 | -4.9 | 0 | 0 | 0 | 109.8 | G1063 | D1061-G1063 VanDerWaalsContact C-N 3.35Å; D1061-G1063 PolarHBondContact OD1-N 2.85Å |
| 1062 | N | 78.4 | Confident | 81.1 | Confident | 79 Ų | 79 | 63.1 Ų | 63.1 | 42% | 0.422 | 35% | 0.352 | S | S | . | . | trans | -88 | -5.9 | -178.9 | -59 | -38.8 | 0 | 0 | 0 | 112.5 | N1060 D1064 T1066 | N1060-N1062 PolarHBondContact ND2-OD1 2.81Å; N1060-N1062 VanDerWaalsContact ND2-OD1 3.13Å; N1060-N1062 PolarHBondContact O-N 2.62Å; N1060-N1062 PolarHBondContact O-OD1 3.07Å; N1062-D1064 PolarHBondContact O-N 3.47Å; N1062-T1066 WeakPolarHBondContact CB-O 3.35Å; N1062-T1066 PolarHBondContact N-O 3.07Å; N1062-T1066 PolarHBondContact ND2-OG1 2.74Å | ||
| 1063 | G | 72.3 | Confident | 81.7 | Confident | 71 Ų | 71 | 59.7 Ų | 59.7 | 73% | 0.732 | 33% | 0.33 | S | S | * | . | S | Bend | trans | 76.1 | 2.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | D1061 | D1061-G1063 VanDerWaalsContact C-N 3.35Å; D1061-G1063 PolarHBondContact OD1-N 2.85Å |
| 1064 | D | 80.3 | Confident | 82 | Confident | 91 Ų | 91 | 62.6 Ų | 62.6 | 49% | 0.487 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -108.1 | 1.6 | 179.2 | 74 | -15.9 | 0 | 0 | 0 | 113.6 | Q1038 N1062 T1066 | Q1038-D1064 WeakPolarHBondContact CG-O 3.22Å; Q1038-D1064 PolarHBondContact NE2-O 2.94Å; Q1038-D1064 PolarHBondContact NE2-OD2 2.82Å; N1062-D1064 PolarHBondContact O-N 3.47Å; D1064-T1066 WeakPolarHBondContact OD1-CB 3.5Å; D1064-T1066 PolarHBondContact OD1-N 3.08Å; D1064-T1066 PolarHBondContact OD1-OG1 2.96Å |
| 1065 | G | 73.5 | Confident | 82.1 | Confident | 30 Ų | 30 | 58.1 Ų | 58.1 | 31% | 0.309 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 97.5 | 2.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S1037 | S1037-G1065 PolarHBondContact N-O 3.39Å; S1037-G1065 PolarHBondContact OG-O 3.27Å |
| 1066 | T | 83.5 | Confident | 81.9 | Confident | 10 Ų | 10 | 60.6 Ų | 60.6 | 6% | 0.061 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 147.4 | 167.1 | 72.3 | 0 | 0 | 0 | 0 | 111.9 | I1035 D1036 Q1038 N1062 D1064 | I1035-T1066 CarbonylContact O-C 3.53Å; I1035-T1066 VanDerWaalsContact O-CA 3.29Å; I1035-T1066 WeakPolarHBondContact O-CA 3.4Å; D1036-T1066 HydrophobicContact CB-CG2 3.99Å; Q1038-T1066 HydrophobicContact CG-CG2 4.41Å; N1062-T1066 WeakPolarHBondContact CB-O 3.35Å; N1062-T1066 PolarHBondContact N-O 3.07Å; N1062-T1066 PolarHBondContact ND2-OG1 2.74Å; D1064-T1066 WeakPolarHBondContact OD1-CB 3.5Å; D1064-T1066 PolarHBondContact OD1-N 3.08Å; D1064-T1066 PolarHBondContact OD1-OG1 2.96Å |
| 1067 | C | 83.5 | Confident | 81.6 | Confident | 22 Ų | 22 | 53.8 Ų | 53.8 | 15% | 0.149 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 122.1 | 175 | -178 | 0 | 0 | 0 | 0 | 109.5 | I1035 | I1035-C1067 PolarHBondContact N-O 3.34Å; I1035-C1067 PolarHBondContact O-N 2.82Å |
| 1068 | G | 86 | Confident | 81.2 | Confident | 16 Ų | 16 | 56.2 Ų | 56.2 | 17% | 0.165 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 139.6 | 169 | 0 | 0 | 0 | 0 | 0 | 111 | N1060 | N1060-G1068 PolarHBondContact N-O 3.36Å; N1060-G1068 PolarHBondContact O-N 3.34Å |
| 1069 | V | 88.2 | Confident | 81.3 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130.6 | 176.6 | -174 | 0 | 0 | 0 | 0 | 108.6 | K1032 F1033 I1035 I1057 N1058 Y1059 | K1032-V1069 WeakPolarHBondContact CA-O 3.46Å; F1033-V1069 HydrophobicContact CD1-CB 4.31Å; F1033-V1069 HydrophobicContact CD2-CB 4.34Å; F1033-V1069 HydrophobicContact CE1-CB 3.98Å; F1033-V1069 HydrophobicContact CE1-CG1 3.81Å; F1033-V1069 HydrophobicContact CE2-CB 4.02Å; F1033-V1069 HydrophobicContact CE2-CG1 4.43Å; F1033-V1069 HydrophobicContact CE2-CG2 4.11Å; F1033-V1069 HydrophobicContact CG-CB 4.49Å; F1033-V1069 HydrophobicContact CZ-CB 3.84Å; F1033-V1069 HydrophobicContact CZ-CG1 3.76Å; F1033-V1069 HydrophobicContact CZ-CG2 4.24Å; F1033-V1069 PolarHBondContact N-O 3.48Å; F1033-V1069 PolarHBondContact O-N 3Å; I1035-V1069 HydrophobicContact CD1-CG2 3.83Å; I1035-V1069 HydrophobicContact CG1-CG2 4.21Å; I1057-V1069 HydrophobicContact CG2-CG1 3.79Å; N1058-V1069 WeakPolarHBondContact O-CA 3.22Å; Y1059-V1069 HydrophobicContact CD1-CG2 4.13Å |
| 1070 | D | 88.6 | Confident | 81.6 | Confident | 30 Ų | 30 | 50.5 Ų | 50.5 | 16% | 0.16 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 147.2 | 168.2 | 66.2 | -125.5 | 0 | 0 | 0 | 112.8 | Q1030 A1031 K1032 I1057 N1058 | Q1030-D1070 PolarHBondContact NE2-OD2 3.31Å; A1031-D1070 VanDerWaalsContact O-CA 3.32Å; A1031-D1070 WeakPolarHBondContact O-CA 3.32Å; K1032-D1070 HydrophobicContact CB-CB 4.34Å; K1032-D1070 HydrophobicContact CD-CB 3.76Å; K1032-D1070 HydrophobicContact CG-CB 3.66Å; K1032-D1070 IonicContact NZ-OD1 3.13Å; K1032-D1070 PolarHBondContact NZ-OD1 3.46Å; I1057-D1070 CarbonylContact C-O 3.55Å; N1058-D1070 PolarHBondContact N-O 3.1Å; N1058-D1070 PolarHBondContact ND2-OD2 3.12Å; N1058-D1070 PolarHBondContact O-N 3.35Å; N1058-D1070 VanDerWaalsContact O-N 3.09Å |
| 1071 | Y | 89.8 | Confident | 82 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 160.2 | 179.2 | 69.9 | -87.4 | 0 | 0 | 0 | 111.8 | G1021 Q1030 A1031 F1033 I1049 A1055 K1056 P1073 V1081 V1097 | G1021-Y1071 WeakPolarHBondContact O-CE1 3.16Å; G1021-Y1071 PolarHBondContact O-OH 3.45Å; Q1030-Y1071 WeakPolarHBondContact CA-O 3.28Å; A1031-Y1071 HydrophobicContact CB-CD1 4.12Å; A1031-Y1071 HydrophobicContact CB-CD2 4.3Å; A1031-Y1071 HydrophobicContact CB-CE1 3.62Å; A1031-Y1071 HydrophobicContact CB-CE2 3.81Å; A1031-Y1071 HydrophobicContact CB-CG 4.43Å; A1031-Y1071 VanDerWaalsContact CB-CZ 3.43Å; A1031-Y1071 PolarHBondContact N-O 3.13Å; A1031-Y1071 PolarHBondContact O-N 2.95Å; F1033-Y1071 HydrophobicContact CD1-CE1 4.26Å; F1033-Y1071 HydrophobicContact CE1-CD1 4.21Å; F1033-Y1071 HydrophobicContact CE1-CE1 4.17Å; I1049-Y1071 VanDerWaalsContact CD1-CB 3.48Å; I1049-Y1071 HydrophobicContact CD1-CD1 3.42Å; I1049-Y1071 VanDerWaalsContact CD1-CD1 3.42Å; I1049-Y1071 HydrophobicContact CD1-CD2 3.6Å; I1049-Y1071 HydrophobicContact CD1-CE1 3.97Å; I1049-Y1071 HydrophobicContact CD1-CE2 4.15Å; I1049-Y1071 HydrophobicContact CD1-CG 3.21Å; A1055-Y1071 HydrophobicContact CB-CD2 4.3Å; K1056-Y1071 WeakPolarHBondContact O-CA 3.35Å; K1056-Y1071 WeakPolarHBondContact O-CB 3.27Å; Y1071-P1073 HydrophobicContact CD2-CG 4.38Å; Y1071-P1073 HydrophobicContact CE2-CB 4.39Å; Y1071-P1073 HydrophobicContact CE2-CG 4.05Å; Y1071-V1081 HydrophobicContact CE1-CG2 4.26Å; Y1071-V1097 WeakPolarHBondContact OH-CG1 3.47Å |
| 1072 | L | 88.2 | Confident | 82.5 | Confident | 68 Ų | 68 | 40.5 Ų | 40.5 | 36% | 0.356 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 101.2 | -180 | -178.8 | 63.1 | 0 | 0 | 0 | 110.2 | K1056 | K1056-L1072 PolarHBondContact O-N 3.17Å |
| 1073 | P | 84.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -77.1 | 126.9 | 169.3 | 32.3 | -30.7 | 0 | 0 | 0 | 109.5 | A1025 G1028 Y1071 Y1079 V1099 | A1025-P1073 HydrophobicContact CB-CG 3.97Å; G1028-P1073 PolarHBondContact N-O 3.27Å; Y1071-P1073 HydrophobicContact CD2-CG 4.38Å; Y1071-P1073 HydrophobicContact CE2-CB 4.39Å; Y1071-P1073 HydrophobicContact CE2-CG 4.05Å; P1073-Y1079 HydrophobicContact CB-CE1 4.1Å; P1073-Y1079 HydrophobicContact CB-CE2 4.19Å; P1073-V1099 HydrophobicContact CB-CG1 3.93Å; P1073-V1099 HydrophobicContact CB-CG2 3.85Å; P1073-V1099 HydrophobicContact CG-CG1 3.83Å; P1073-V1099 HydrophobicContact CG-CG2 4.04Å | ||
| 1074 | T | 82 | Confident | 83.5 | Confident | 82 Ų | 82 | 34.8 Ų | 34.8 | 50% | 0.503 | 21% | 0.208 | S | C | . | . | trans | -87.2 | -31.2 | -177.9 | 43.6 | 0 | 0 | 0 | 0 | 112.9 | A1053 | A1053-T1074 WeakPolarHBondContact CB-OG1 3.43Š| ||
| 1075 | E | 79.8 | Confident | 83.5 | Confident | 97 Ų | 97 | 30.9 Ų | 30.9 | 45% | 0.453 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -114.2 | 152.2 | -178.7 | -66.9 | -167.2 | -171.4 | 0 | 0 | 112.3 | P1052 A1053 Y1079 V1099 | P1052-E1075 HydrophobicContact CG-CB 4.4Å; A1053-E1075 HydrophobicContact CB-CB 4.24Å; A1053-E1075 HydrophobicContact CB-CG 3.9Å; E1075-Y1079 VanDerWaalsContact O-CE2 3.31Å; E1075-Y1079 WeakPolarHBondContact O-CE2 3.11Å; E1075-V1099 WeakPolarHBondContact O-CG1 3.4Å |
| 1076 | P | 76.1 | Confident | 83.7 | Confident | 60 Ų | 60 | 34.4 Ų | 34.4 | 39% | 0.39 | 19% | 0.194 | S | C | . | . | trans | -78.5 | 146 | 170.6 | 33.2 | -34 | 0 | 0 | 0 | 111.4 | A1027 V1099 P1101 | A1027-P1076 HydrophobicContact CB-CB 4.41Å; P1076-V1099 CarbonylContact C-O 3.58Å; P1076-V1099 WeakPolarHBondContact CA-O 3.2Å; P1076-P1101 HydrophobicContact CB-CB 4.34Å; P1076-P1101 HydrophobicContact CB-CG 3.86Å; P1076-P1101 HydrophobicContact CG-CG 4.28Å | ||
| 1077 | G | 74.9 | Confident | 83.5 | Confident | 11 Ų | 11 | 40.7 Ų | 40.7 | 11% | 0.113 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 150.3 | -171.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | V1099 | G1077-V1099 PolarHBondContact N-O 3.31Å; G1077-V1099 PolarHBondContact O-N 3.31Å |
| 1078 | P | 78.8 | Confident | 83.2 | Confident | 91 Ų | 91 | 43.4 Ų | 43.4 | 59% | 0.591 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 126.9 | 171 | 31.4 | -32 | 0 | 0 | 0 | 110.6 | P1052 | P1052-P1078 VanDerWaalsContact CD-O 3.26Å; P1052-P1078 WeakPolarHBondContact CD-O 3.43Å |
| 1079 | Y | 82.5 | Confident | 83.1 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 155.1 | 171.1 | -82.4 | -108.3 | 0 | 0 | 0 | 109.6 | I1049 E1050 P1052 A1053 A1055 P1073 E1075 V1097 V1099 | I1049-Y1079 HydrophobicContact CG2-CD1 3.85Å; E1050-Y1079 CarbonylContact O-C 3.55Å; E1050-Y1079 VanDerWaalsContact O-CA 3.28Å; E1050-Y1079 WeakPolarHBondContact O-CA 3.16Å; P1052-Y1079 VanDerWaalsContact CD-CE2 3.48Å; P1052-Y1079 HydrophobicContact CG-CD2 4.24Å; P1052-Y1079 HydrophobicContact CG-CE2 3.56Å; A1053-Y1079 PolarHBondContact N-OH 2.89Å; A1053-Y1079 VanDerWaalsContact O-CE1 3.25Å; A1053-Y1079 WeakPolarHBondContact O-CE1 3.45Å; A1053-Y1079 PolarHBondContact O-OH 2.69Å; A1053-Y1079 VanDerWaalsContact O-OH 3.11Å; A1055-Y1079 HydrophobicContact CB-CE1 4.19Å; P1073-Y1079 HydrophobicContact CB-CE1 4.1Å; P1073-Y1079 HydrophobicContact CB-CE2 4.19Å; E1075-Y1079 VanDerWaalsContact O-CE2 3.31Å; E1075-Y1079 WeakPolarHBondContact O-CE2 3.11Å; Y1079-V1097 PolarHBondContact N-O 2.62Å; Y1079-V1097 PolarHBondContact O-N 3.26Å; Y1079-V1099 HydrophobicContact CD2-CB 3.95Å; Y1079-V1099 HydrophobicContact CD2-CG2 3.18Å; Y1079-V1099 HydrophobicContact CE2-CB 4.13Å; Y1079-V1099 HydrophobicContact CE2-CG2 3.66Å; Y1079-V1099 HydrophobicContact CG-CG2 3.75Å |
| 1080 | I | 87.1 | Confident | 83.1 | Confident | 74 Ų | 74 | 46.3 Ų | 46.3 | 38% | 0.379 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 116.9 | -179.4 | -58.4 | 179 | 0 | 0 | 0 | 108 | I1049 E1050 P1094 | I1049-I1080 WeakPolarHBondContact CA-O 3.32Å; E1050-I1080 HydrophobicContact CB-CB 4.43Å; E1050-I1080 PolarHBondContact N-O 2.85Å; E1050-I1080 PolarHBondContact O-N 3.46Å; I1080-P1094 HydrophobicContact CG2-CB 3.55Å |
| 1081 | V | 87.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 104.7 | 176.2 | -179.8 | 0 | 0 | 0 | 0 | 108.5 | L1022 F1033 V1047 I1049 Y1071 V1083 F1095 V1097 | L1022-V1081 HydrophobicContact CD2-CG1 4.15Å; F1033-V1081 HydrophobicContact CE1-CG1 3.82Å; F1033-V1081 HydrophobicContact CZ-CG1 3.69Å; V1047-V1081 HydrophobicContact CG1-CG1 4.24Å; I1049-V1081 HydrophobicContact CD1-CG1 4.5Å; I1049-V1081 HydrophobicContact CD1-CG2 4.11Å; I1049-V1081 HydrophobicContact CG1-CB 4.47Å; I1049-V1081 HydrophobicContact CG1-CG1 4.23Å; I1049-V1081 HydrophobicContact CG1-CG2 4.06Å; I1049-V1081 HydrophobicContact CG2-CG2 4.36Å; Y1071-V1081 HydrophobicContact CE1-CG2 4.26Å; V1081-V1083 HydrophobicContact CG1-CG2 4.19Å; V1081-F1095 HydrophobicContact CB-CB 4.28Å; V1081-F1095 PolarHBondContact N-O 3.4Å; V1081-F1095 PolarHBondContact O-N 2.97Å; V1081-V1097 HydrophobicContact CG2-CG2 3.64Å |
| 1082 | N | 86.8 | Confident | 81.9 | Confident | 13 Ų | 13 | 55 Ų | 55 | 7% | 0.07 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 117.2 | 173.9 | -64.8 | -58.7 | 0 | 0 | 0 | 109 | V1047 T1048 E1050 L1084 H1089 P1094 | V1047-N1082 CarbonylContact C-O 3.5Å; V1047-N1082 WeakPolarHBondContact CA-O 3.49Å; T1048-N1082 PolarHBondContact N-O 2.88Å; T1048-N1082 PolarHBondContact O-N 3.42Å; T1048-N1082 WeakPolarHBondContact OG1-CB 3.3Å; T1048-N1082 PolarHBondContact OG1-ND2 2.86Å; E1050-N1082 PolarHBondContact OE1-ND2 3.11Å; E1050-N1082 PolarHBondContact OE2-ND2 2.85Å; N1082-L1084 HydrophobicContact CB-CD1 3.93Å; N1082-H1089 PolarHBondContact OD1-CE1 3.24Å; N1082-P1094 WeakPolarHBondContact OD1-CB 3.21Å |
| 1083 | V | 87.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 120.4 | 166.2 | -177.2 | 0 | 0 | 0 | 0 | 108.7 | F1033 I1035 V1047 V1081 I1090 S1093 F1095 | F1033-V1083 HydrophobicContact CE2-CG2 3.85Å; F1033-V1083 HydrophobicContact CZ-CG2 4.03Å; I1035-V1083 HydrophobicContact CD1-CG1 3.66Å; I1035-V1083 HydrophobicContact CD1-CG2 4.33Å; I1035-V1083 HydrophobicContact CG1-CG1 4.26Å; V1047-V1083 HydrophobicContact CG1-CG2 4.39Å; V1047-V1083 HydrophobicContact CG2-CG1 4.4Å; V1047-V1083 HydrophobicContact CG2-CG2 4.28Å; V1081-V1083 HydrophobicContact CG1-CG2 4.19Å; V1083-I1090 HydrophobicContact CB-CD1 3.91Å; V1083-I1090 HydrophobicContact CB-CG1 3.93Å; V1083-I1090 HydrophobicContact CG1-CD1 3.54Å; V1083-I1090 HydrophobicContact CG1-CG1 3.87Å; V1083-I1090 HydrophobicContact CG1-CG2 4.42Å; V1083-I1090 PolarHBondContact O-N 3.18Å; V1083-S1093 PolarHBondContact N-OG 3.15Å; V1083-S1093 WeakPolarHBondContact O-CB 3.13Å; V1083-S1093 PolarHBondContact O-OG 2.89Å; V1083-F1095 HydrophobicContact CB-CE2 4.27Å; V1083-F1095 HydrophobicContact CG2-CD2 4.24Å; V1083-F1095 HydrophobicContact CG2-CE2 4.1Å |
| 1084 | L | 83.8 | Confident | 81.7 | Confident | 29 Ų | 29 | 55.7 Ų | 55.7 | 15% | 0.152 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 146.9 | 178.9 | -54.7 | 91.3 | 0 | 0 | 0 | 111 | L1045 S1046 N1082 T1088 | L1045-L1084 WeakPolarHBondContact CA-O 2.97Å; S1046-L1084 PolarHBondContact N-O 2.78Å; S1046-L1084 PolarHBondContact O-N 2.88Å; N1082-L1084 HydrophobicContact CB-CD1 3.93Å; L1084-T1088 CarbonylContact C-O 3.58Å; L1084-T1088 VanDerWaalsContact CA-O 3.3Å; L1084-T1088 WeakPolarHBondContact CA-O 3.2Å |
| 1085 | Y | 81.9 | Confident | 81.9 | Confident | 9 Ų | 9 | 52 Ų | 52 | 4% | 0.035 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 120.3 | 175.2 | 164.1 | -102.3 | 0 | 0 | 0 | 107.5 | V1015 P1041 A1043 L1045 D1087 T1088 | V1015-Y1085 HydrophobicContact CG2-CD1 3.92Å; V1015-Y1085 HydrophobicContact CG2-CD2 3.86Å; V1015-Y1085 HydrophobicContact CG2-CE1 4.21Å; V1015-Y1085 HydrophobicContact CG2-CE2 4.16Å; V1015-Y1085 HydrophobicContact CG2-CG 3.73Å; P1041-Y1085 PolarHBondContact O-OH 3.43Å; A1043-Y1085 HydrophobicContact CB-CD2 4.42Å; A1043-Y1085 HydrophobicContact CB-CE2 3.65Å; L1045-Y1085 HydrophobicContact CD1-CD2 4.48Å; Y1085-D1087 VanDerWaalsContact C-N 3.34Å; Y1085-T1088 PolarHBondContact N-O 3.14Å; Y1085-T1088 PolarHBondContact O-N 3.11Å |
| 1086 | K | 77.2 | Confident | 82.1 | Confident | 105 Ų | 105 | 52 Ų | 52 | 46% | 0.457 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | 54 | -165.4 | -59.3 | -176.7 | 179.5 | -176.4 | 0 | 112.3 | A1043 P1044 T1088 | A1043-K1086 HydrophobicContact CB-CD 4.01Å; A1043-K1086 HydrophobicContact CB-CG 3.57Å; P1044-K1086 PolarHBondContact O-N 2.92Å; K1086-T1088 PolarHBondContact O-N 3.18Å; K1086-T1088 PolarHBondContact O-OG1 2.64Å |
| 1087 | D | 79.4 | Confident | 82.5 | Confident | 141 Ų | 141 | 49.2 Ų | 49.2 | 75% | 0.754 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 18.4 | 176.2 | -45.2 | -48 | 0 | 0 | 0 | 114.5 | Y1085 | Y1085-D1087 VanDerWaalsContact C-N 3.34Š|
| 1088 | T | 77.8 | Confident | 82.7 | Confident | 79 Ų | 79 | 57.1 Ų | 57.1 | 49% | 0.485 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 132.7 | -177.6 | -52 | 0 | 0 | 0 | 0 | 108.7 | A1012 L1084 Y1085 K1086 I1090 | A1012-T1088 HydrophobicContact CB-CG2 4.12Å; L1084-T1088 CarbonylContact C-O 3.58Å; L1084-T1088 VanDerWaalsContact CA-O 3.3Å; L1084-T1088 WeakPolarHBondContact CA-O 3.2Å; Y1085-T1088 PolarHBondContact N-O 3.14Å; Y1085-T1088 PolarHBondContact O-N 3.11Å; K1086-T1088 PolarHBondContact O-N 3.18Å; K1086-T1088 PolarHBondContact O-OG1 2.64Å; T1088-I1090 PolarHBondContact O-N 2.71Å |
| 1089 | H | 83.1 | Confident | 82.7 | Confident | 79 Ų | 79 | 53.1 Ų | 53.1 | 37% | 0.366 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 132 | 177.4 | -69.6 | -92.6 | 0 | 0 | 0 | 111.6 | N1082 S1093 | N1082-H1089 PolarHBondContact OD1-CE1 3.24Å; H1089-S1093 WeakPolarHBondContact CB-O 3.47Å; H1089-S1093 PolarHBondContact ND1-OG 2.85Å |
| 1090 | I | 87.1 | Confident | 82.3 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | trans | -71 | 166.3 | 172 | 67 | 164.5 | 0 | 0 | 0 | 110.9 | V1015 A1017 V1083 T1088 G1092 S1093 F1095 | V1015-I1090 HydrophobicContact CB-CG2 3.88Å; V1015-I1090 HydrophobicContact CG1-CD1 4.4Å; V1015-I1090 HydrophobicContact CG1-CG2 3.86Å; A1017-I1090 HydrophobicContact CB-CD1 3.59Å; V1083-I1090 HydrophobicContact CB-CD1 3.91Å; V1083-I1090 HydrophobicContact CB-CG1 3.93Å; V1083-I1090 HydrophobicContact CG1-CD1 3.54Å; V1083-I1090 HydrophobicContact CG1-CG1 3.87Å; V1083-I1090 HydrophobicContact CG1-CG2 4.42Å; V1083-I1090 PolarHBondContact O-N 3.18Å; T1088-I1090 PolarHBondContact O-N 2.71Å; I1090-G1092 PolarHBondContact O-N 3.31Å; I1090-S1093 VanDerWaalsContact O-CB 3.32Å; I1090-S1093 WeakPolarHBondContact O-CB 3.09Å; I1090-S1093 PolarHBondContact O-N 2.91Å; I1090-F1095 HydrophobicContact CD1-CE2 4.13Å; I1090-F1095 HydrophobicContact CD1-CZ 4.3Å; I1090-F1095 HydrophobicContact CG1-CE2 4.17Å; I1090-F1095 HydrophobicContact CG1-CZ 4.48Å | ||
| 1091 | K | 76.7 | Confident | 81.4 | Confident | 167 Ų | 167 | 51.8 Ų | 51.8 | 73% | 0.726 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 107.9 | -179.1 | -171.8 | -177.6 | 179.1 | -177.7 | 0 | 112 | ||
| 1092 | G | 77.6 | Confident | 80.6 | Confident | 47 Ų | 47 | 57.9 Ų | 57.9 | 49% | 0.485 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 110.4 | -12.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | I1090 P1094 F1095 | I1090-G1092 PolarHBondContact O-N 3.31Å; G1092-P1094 CarbonylContact O-C 3.53Å; G1092-F1095 VanDerWaalsContact C-CE1 3.49Å; G1092-F1095 VanDerWaalsContact C-CZ 3.5Å; G1092-F1095 WeakPolarHBondContact O-CD1 3.5Å; G1092-F1095 WeakPolarHBondContact O-CE1 3.39Å; G1092-F1095 VanDerWaalsContact O-CG 3.3Å; G1092-F1095 WeakPolarHBondContact O-CG 3.43Å |
| 1093 | S | 85.2 | Confident | 79.7 | Confident | 15 Ų | 15 | 60.4 Ų | 60.4 | 11% | 0.105 | 34% | 0.337 | C | S | . | . | trans | -84.6 | 143.6 | 171.9 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | V1083 H1089 I1090 | V1083-S1093 PolarHBondContact N-OG 3.15Å; V1083-S1093 WeakPolarHBondContact O-CB 3.13Å; V1083-S1093 PolarHBondContact O-OG 2.89Å; H1089-S1093 WeakPolarHBondContact CB-O 3.47Å; H1089-S1093 PolarHBondContact ND1-OG 2.85Å; I1090-S1093 VanDerWaalsContact O-CB 3.32Å; I1090-S1093 WeakPolarHBondContact O-CB 3.09Å; I1090-S1093 PolarHBondContact O-N 2.91Å | ||
| 1094 | P | 82.4 | Confident | 78.8 | Confident | 67 Ų | 67 | 64 Ų | 64 | 44% | 0.435 | 35% | 0.351 | S | S | . | . | S | Bend | cis | -60.3 | 133.7 | -10.6 | 23.9 | -33.5 | 0 | 0 | 0 | 113.1 | I1080 N1082 G1092 P1096 | I1080-P1094 HydrophobicContact CG2-CB 3.55Å; N1082-P1094 WeakPolarHBondContact OD1-CB 3.21Å; G1092-P1094 CarbonylContact O-C 3.53Å; P1094-P1096 WeakPolarHBondContact O-CD 3.24Å |
| 1095 | F | 87 | Confident | 77.9 | Confident | 4 Ų | 4 | 66.9 Ų | 66.9 | 2% | 0.018 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 115.6 | 179.4 | -66.1 | -90.2 | 0 | 0 | 0 | 110.4 | A1017 L1022 Y1023 V1081 V1083 I1090 G1092 V1097 | A1017-F1095 HydrophobicContact CB-CE2 4.15Å; A1017-F1095 HydrophobicContact CB-CZ 4.02Å; L1022-F1095 HydrophobicContact CB-CB 4.38Å; L1022-F1095 HydrophobicContact CB-CD1 4.01Å; L1022-F1095 HydrophobicContact CB-CG 4.25Å; L1022-F1095 HydrophobicContact CD1-CD1 4.29Å; L1022-F1095 HydrophobicContact CD1-CE1 4.04Å; L1022-F1095 HydrophobicContact CD1-CZ 4.19Å; L1022-F1095 HydrophobicContact CD2-CB 4.22Å; L1022-F1095 HydrophobicContact CD2-CD1 4.27Å; L1022-F1095 HydrophobicContact CD2-CD2 3.8Å; L1022-F1095 HydrophobicContact CD2-CE2 4.16Å; L1022-F1095 HydrophobicContact CD2-CG 3.87Å; L1022-F1095 HydrophobicContact CG-CD1 4.42Å; L1022-F1095 HydrophobicContact CG-CG 4.48Å; Y1023-F1095 HydrophobicContact CE1-CD1 4.23Å; V1081-F1095 HydrophobicContact CB-CB 4.28Å; V1081-F1095 PolarHBondContact N-O 3.4Å; V1081-F1095 PolarHBondContact O-N 2.97Å; V1083-F1095 HydrophobicContact CB-CE2 4.27Å; V1083-F1095 HydrophobicContact CG2-CD2 4.24Å; V1083-F1095 HydrophobicContact CG2-CE2 4.1Å; I1090-F1095 HydrophobicContact CD1-CE2 4.13Å; I1090-F1095 HydrophobicContact CD1-CZ 4.3Å; I1090-F1095 HydrophobicContact CG1-CE2 4.17Å; I1090-F1095 HydrophobicContact CG1-CZ 4.48Å; G1092-F1095 VanDerWaalsContact C-CE1 3.49Å; G1092-F1095 VanDerWaalsContact C-CZ 3.5Å; G1092-F1095 WeakPolarHBondContact O-CD1 3.5Å; G1092-F1095 WeakPolarHBondContact O-CE1 3.39Å; G1092-F1095 VanDerWaalsContact O-CG 3.3Å; G1092-F1095 WeakPolarHBondContact O-CG 3.43Å; F1095-V1097 PolarHBondContact O-N 2.88Å |
| 1096 | P | 84 | Confident | 77.1 | Confident | 97 Ų | 97 | 74.9 Ų | 74.9 | 63% | 0.63 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 116.4 | 177.6 | 30.9 | -33.1 | 0 | 0 | 0 | 111.1 | P1094 | P1094-P1096 WeakPolarHBondContact O-CD 3.24Å |
| 1097 | V | 83.7 | Confident | 76.6 | Confident | 2 Ų | 2 | 72.7 Ų | 72.7 | 1% | 0.012 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 131.8 | 176.2 | 176.4 | 0 | 0 | 0 | 0 | 109.6 | G1021 A1025 Y1071 Y1079 V1081 F1095 V1099 | G1021-V1097 WeakPolarHBondContact O-CG2 3.46Å; A1025-V1097 HydrophobicContact CB-CG1 4.14Å; Y1071-V1097 WeakPolarHBondContact OH-CG1 3.47Å; Y1079-V1097 PolarHBondContact N-O 2.62Å; Y1079-V1097 PolarHBondContact O-N 3.26Å; V1081-V1097 HydrophobicContact CG2-CG2 3.64Å; F1095-V1097 PolarHBondContact O-N 2.88Å; V1097-V1099 HydrophobicContact CG1-CG2 4.03Å |
| 1098 | R | 78.6 | Confident | 76.4 | Confident | 176 Ų | 176 | 69 Ų | 69 | 66% | 0.664 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 117.8 | 161.5 | -72.5 | -172.7 | 173.2 | -159 | -2.9 | 109.5 | Y1023 A1025 | Y1023-R1098 PolarHBondContact O-N 2.81Å; A1025-R1098 PolarHBondContact N-O 3.19Å; A1025-R1098 VanDerWaalsContact N-O 3.09Å |
| 1099 | V | 80 | Confident | 76.4 | Confident | 7 Ų | 7 | 66.2 Ų | 66.2 | 4% | 0.042 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 110.3 | 170.6 | -172.2 | 0 | 0 | 0 | 0 | 108.4 | A1025 A1027 P1073 E1075 P1076 G1077 Y1079 V1097 | A1025-V1099 HydrophobicContact CB-CG1 4.47Å; A1025-V1099 HydrophobicContact CB-CG2 4.19Å; A1025-V1099 WeakPolarHBondContact O-CA 3.3Å; A1027-V1099 HydrophobicContact CB-CG1 4.17Å; P1073-V1099 HydrophobicContact CB-CG1 3.93Å; P1073-V1099 HydrophobicContact CB-CG2 3.85Å; P1073-V1099 HydrophobicContact CG-CG1 3.83Å; P1073-V1099 HydrophobicContact CG-CG2 4.04Å; E1075-V1099 WeakPolarHBondContact O-CG1 3.4Å; P1076-V1099 CarbonylContact C-O 3.58Å; P1076-V1099 WeakPolarHBondContact CA-O 3.2Å; G1077-V1099 PolarHBondContact N-O 3.31Å; G1077-V1099 PolarHBondContact O-N 3.31Å; Y1079-V1099 HydrophobicContact CD2-CB 3.95Å; Y1079-V1099 HydrophobicContact CD2-CG2 3.18Å; Y1079-V1099 HydrophobicContact CE2-CB 4.13Å; Y1079-V1099 HydrophobicContact CE2-CG2 3.66Å; Y1079-V1099 HydrophobicContact CG-CG2 3.75Å; V1097-V1099 HydrophobicContact CG1-CG2 4.03Å |
| 1100 | A | 73.4 | Confident | 76.2 | Confident | 20 Ų | 20 | 66 Ų | 66 | 17% | 0.165 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 151.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1025 T1026 A1027 E1105 | A1025-A1100 PolarHBondContact O-N 3.33Å; T1026-A1100 WeakPolarHBondContact CA-O 3.47Å; T1026-A1100 WeakPolarHBondContact CG2-O 3.17Å; A1027-A1100 PolarHBondContact N-O 3.05Å; A1100-E1105 HydrophobicContact CB-CB 4.33Å; A1100-E1105 HydrophobicContact CB-CG 4.04Å |
| 1101 | P | 68.6 | Low | 76.1 | Confident | 28 Ų | 28 | 72.2 Ų | 72.2 | 18% | 0.182 | 39% | 0.387 | C | S | . | . | trans | -59 | 147.9 | 164.9 | -18.5 | 30.4 | 0 | 0 | 0 | 111 | P1076 G1103 R1104 | P1076-P1101 HydrophobicContact CB-CB 4.34Å; P1076-P1101 HydrophobicContact CB-CG 3.86Å; P1076-P1101 HydrophobicContact CG-CG 4.28Å; P1101-G1103 PolarHBondContact O-N 2.93Å; P1101-R1104 HydrophobicContact CB-CB 4.29Å; P1101-R1104 HydrophobicContact CG-CB 4.41Å; P1101-R1104 PolarHBondContact O-N 3.17Å | ||
| 1102 | L | 71.2 | Confident | 76.6 | Confident | 128 Ų | 128 | 64.2 Ų | 64.2 | 67% | 0.67 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 105.2 | -179.3 | -172.2 | 66.9 | 0 | 0 | 0 | 110.9 | T1026 K1029 | T1026-L1102 HydrophobicContact CG2-CB 4.41Å; T1026-L1102 HydrophobicContact CG2-CD1 3.94Å; K1029-L1102 HydrophobicContact CG-CD1 4.42Å |
| 1103 | G | 67.3 | Low | 77.1 | Confident | 67 Ų | 67 | 67.2 Ų | 67.2 | 69% | 0.691 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.4 | 5.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | P1101 | P1101-G1103 PolarHBondContact O-N 2.93Š|
| 1104 | R | 69.1 | Low | 77.3 | Confident | 75 Ų | 75 | 67.3 Ų | 67.3 | 28% | 0.283 | 36% | 0.356 | S | S | . | . | trans | -123.9 | 41.9 | 179.1 | -62.4 | -171.8 | -167 | 173.2 | 6.2 | 114 | P1101 H1106 I1107 R1144 G1145 D1190 | P1101-R1104 HydrophobicContact CB-CB 4.29Å; P1101-R1104 HydrophobicContact CG-CB 4.41Å; P1101-R1104 PolarHBondContact O-N 3.17Å; R1104-H1106 PolarHBondContact O-N 2.88Å; R1104-I1107 HydrophobicContact CB-CD1 3.96Å; R1104-I1107 HydrophobicContact CB-CG1 4.42Å; R1104-I1107 HydrophobicContact CG-CD1 4.16Å; R1104-R1144 VanDerWaalsContact NH1-C 3.34Å; R1104-R1144 PolarHBondContact NH1-O 3.21Å; R1104-R1144 PolarHBondContact NH2-O 2.98Å; R1104-G1145 VanDerWaalsContact NH1-CA 3.35Å; R1104-D1190 WeakPolarHBondContact CD-OD2 3.45Å; R1104-D1190 IonicContact CZ-OD2 2.72Å; R1104-D1190 IonicContact NE-OD2 3.61Å; R1104-D1190 IonicContact NH1-OD1 3.37Å; R1104-D1190 PolarHBondContact NH1-OD1 3.38Å; R1104-D1190 VanDerWaalsContact NH1-OD1 3.08Å; R1104-D1190 IonicContact NH1-OD2 2.87Å; R1104-D1190 PolarHBondContact NH1-OD2 3.08Å | ||
| 1105 | E | 64.4 | Low | 77.6 | Confident | 90 Ų | 90 | 70 Ų | 70 | 42% | 0.421 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -2.4 | -166.2 | -59 | 176.1 | 174.2 | 0 | 0 | 114.3 | T1026 K1029 A1100 | T1026-E1105 HydrophobicContact CG2-CG 4.23Å; T1026-E1105 WeakPolarHBondContact CG2-OE1 3.44Å; T1026-E1105 PolarHBondContact OG1-OE1 2.82Å; K1029-E1105 IonicContact NZ-OE1 3.69Å; K1029-E1105 PolarHBondContact NZ-OE1 2.89Å; A1100-E1105 HydrophobicContact CB-CB 4.33Å; A1100-E1105 HydrophobicContact CB-CG 4.04Å |
| 1106 | H | 65.4 | Low | 77.5 | Confident | 176 Ų | 176 | 70.8 Ų | 70.8 | 82% | 0.815 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.1 | 20.1 | -168.4 | -66.7 | 0.4 | 0 | 0 | 0 | 116.4 | R1104 | R1104-H1106 PolarHBondContact O-N 2.88Š|
| 1107 | I | 66.6 | Low | 77.1 | Confident | 59 Ų | 59 | 69.7 Ų | 69.7 | 30% | 0.303 | 36% | 0.361 | S | S | . | . | trans | -74.2 | 131.4 | -176.8 | -63.8 | -178.1 | 0 | 0 | 0 | 112.8 | R1104 V1109 Y1189 | R1104-I1107 HydrophobicContact CB-CD1 3.96Å; R1104-I1107 HydrophobicContact CB-CG1 4.42Å; R1104-I1107 HydrophobicContact CG-CD1 4.16Å; I1107-V1109 PolarHBondContact O-N 3.37Å; I1107-Y1189 HydrophobicContact CG2-CE1 4.24Å | ||
| 1108 | D | 75.7 | Confident | 77.1 | Confident | 63 Ų | 63 | 69.6 Ų | 69.6 | 34% | 0.337 | 36% | 0.36 | S | S | . | . | trans | -95.3 | 78 | -178 | -179.3 | 12.1 | 0 | 0 | 0 | 112.2 | S1110 R1111 V1139 | D1108-S1110 PolarHBondContact O-N 2.85Å; D1108-S1110 WeakPolarHBondContact OD1-CB 3.49Å; D1108-S1110 PolarHBondContact OD1-N 3.4Å; D1108-S1110 PolarHBondContact OD1-OG 2.8Å; D1108-R1111 PolarHBondContact O-N 3.42Å; D1108-R1111 IonicContact OD2-CZ 2.87Å; D1108-R1111 IonicContact OD2-NE 3.19Å; D1108-R1111 PolarHBondContact OD2-NE 2.86Å; D1108-R1111 IonicContact OD2-NH2 3.94Å; D1108-R1111 PolarHBondContact OD2-NH2 3Å; D1108-V1139 WeakPolarHBondContact O-CG1 3.37Å | ||
| 1109 | V | 78.4 | Confident | 77.6 | Confident | 21 Ų | 21 | 62 Ų | 62 | 13% | 0.127 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -57.3 | -8.6 | 179.4 | -87.9 | 0 | 0 | 0 | 0 | 115.6 | I1107 R1111 V1112 Y1189 A1192 P1195 | I1107-V1109 PolarHBondContact O-N 3.37Å; V1109-R1111 PolarHBondContact O-N 2.8Å; V1109-R1111 VanDerWaalsContact O-N 3.14Å; V1109-V1112 HydrophobicContact CG1-CG2 4.28Å; V1109-V1112 PolarHBondContact O-N 3.12Å; V1109-Y1189 HydrophobicContact CG1-CD1 3.78Å; V1109-Y1189 HydrophobicContact CG1-CG 4.22Å; V1109-A1192 HydrophobicContact CG1-CB 4.36Å; V1109-A1192 HydrophobicContact CG2-CB 3.9Å; V1109-P1195 WeakPolarHBondContact O-CD 3.25Å |
| 1110 | S | 78.3 | Confident | 77.7 | Confident | 76 Ų | 76 | 67.1 Ų | 67.1 | 53% | 0.531 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -65.5 | -13.4 | 177.3 | 72.6 | 0 | 0 | 0 | 0 | 114.4 | D1108 | D1108-S1110 PolarHBondContact O-N 2.85Å; D1108-S1110 WeakPolarHBondContact OD1-CB 3.49Å; D1108-S1110 PolarHBondContact OD1-N 3.4Å; D1108-S1110 PolarHBondContact OD1-OG 2.8Å |
| 1111 | R | 83.6 | Confident | 78.1 | Confident | 131 Ų | 131 | 70.1 Ų | 70.1 | 49% | 0.494 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -107.9 | 3.3 | 179.1 | -41.2 | -179.8 | -155.6 | 177.1 | 6.9 | 113.7 | D1108 V1109 H1113 A1138 V1139 | D1108-R1111 PolarHBondContact O-N 3.42Å; D1108-R1111 IonicContact OD2-CZ 2.87Å; D1108-R1111 IonicContact OD2-NE 3.19Å; D1108-R1111 PolarHBondContact OD2-NE 2.86Å; D1108-R1111 IonicContact OD2-NH2 3.94Å; D1108-R1111 PolarHBondContact OD2-NH2 3Å; V1109-R1111 PolarHBondContact O-N 2.8Å; V1109-R1111 VanDerWaalsContact O-N 3.14Å; R1111-H1113 PolarHBondContact O-CE1 2.79Å; R1111-H1113 VanDerWaalsContact O-CE1 3.28Å; R1111-H1113 PolarHBondContact O-ND1 3.01Å; R1111-A1138 HydrophobicContact CB-CB 4.03Å; R1111-V1139 HydrophobicContact CB-CG1 3.96Å; R1111-V1139 HydrophobicContact CG-CG1 4.26Å |
| 1112 | V | 87.4 | Confident | 78.6 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 39% | 0.393 | C | S | . | . | trans | -80.1 | 128.5 | 169.7 | -179.9 | 0 | 0 | 0 | 0 | 107.4 | V1109 V1134 D1135 A1136 V1139 Y1189 V1194 P1195 | V1109-V1112 HydrophobicContact CG1-CG2 4.28Å; V1109-V1112 PolarHBondContact O-N 3.12Å; V1112-V1134 HydrophobicContact CG1-CG1 3.48Å; V1112-V1134 VanDerWaalsContact CG1-CG1 3.48Å; V1112-D1135 CarbonylContact C-O 3.47Å; V1112-D1135 VanDerWaalsContact CA-O 3.31Å; V1112-D1135 WeakPolarHBondContact CA-O 3.43Å; V1112-A1136 HydrophobicContact CG1-CB 4.26Å; V1112-A1136 HydrophobicContact CG2-CB 3.92Å; V1112-V1139 HydrophobicContact CG2-CG2 3.73Å; V1112-Y1189 HydrophobicContact CG1-CD2 4.13Å; V1112-Y1189 HydrophobicContact CG1-CG 4.41Å; V1112-Y1189 HydrophobicContact CG2-CD1 4.37Å; V1112-Y1189 HydrophobicContact CG2-CD2 4.25Å; V1112-Y1189 HydrophobicContact CG2-CG 4.12Å; V1112-V1194 HydrophobicContact CB-CG1 4.3Å; V1112-V1194 HydrophobicContact CG1-CB 4.43Å; V1112-V1194 HydrophobicContact CG1-CG1 3.77Å; V1112-P1195 WeakPolarHBondContact O-CD 3.2Å | ||
| 1113 | H | 89 | Confident | 78.6 | Confident | 110 Ų | 110 | 68.9 Ų | 68.9 | 51% | 0.509 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.6 | -176.7 | -64 | 80 | 0 | 0 | 0 | 109.7 | R1111 V1134 D1135 | R1111-H1113 PolarHBondContact O-CE1 2.79Å; R1111-H1113 VanDerWaalsContact O-CE1 3.28Å; R1111-H1113 PolarHBondContact O-ND1 3.01Å; H1113-V1134 CarbonylContact O-C 3.56Å; H1113-D1135 PolarHBondContact N-O 2.96Å; H1113-D1135 PolarHBondContact O-N 2.92Å |
| 1114 | A | 89.9 | Confident | 79.2 | Confident | 17 Ų | 17 | 66 Ų | 66 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 127.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | L1119 T1133 V1134 V1194 F1199 | A1114-L1119 HydrophobicContact CB-CD1 3.66Å; A1114-T1133 CarbonylContact C-O 3.57Å; A1114-T1133 VanDerWaalsContact CA-O 3.31Å; A1114-T1133 WeakPolarHBondContact CA-O 3.37Å; A1114-V1134 HydrophobicContact CB-CG2 4.12Å; A1114-V1194 HydrophobicContact CB-CG2 4.08Å; A1114-F1199 HydrophobicContact CB-CE2 3.92Å; A1114-F1199 HydrophobicContact CB-CZ 3.78Å |
| 1115 | Y | 88.8 | Confident | 79.6 | Confident | 122 Ų | 122 | 64 Ų | 64 | 48% | 0.478 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 147.4 | -176.1 | 62.2 | -95.5 | 0 | 0 | 0 | 112.4 | T1133 D1135 | Y1115-T1133 PolarHBondContact N-O 2.78Å; Y1115-T1133 PolarHBondContact O-N 2.81Å; Y1115-D1135 HydrophobicContact CE1-CB 3.79Å |
| 1116 | G | 83.9 | Confident | 80.3 | Confident | 22 Ų | 22 | 62.2 Ų | 62.2 | 23% | 0.227 | 33% | 0.331 | C | S | . | . | S | Bend | trans | 151.9 | 174.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G1118 L1119 | G1116-G1118 VanDerWaalsContact C-N 3.3Å; G1116-G1118 PolarHBondContact O-N 3.42Å; G1116-L1119 PolarHBondContact O-N 2.86Å; G1116-L1119 VanDerWaalsContact O-N 3.12Å |
| 1117 | P | 75.8 | Confident | 80.6 | Confident | 74 Ų | 74 | 58.7 Ų | 58.7 | 48% | 0.481 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -52.3 | -45.2 | 177.2 | -27.5 | 35.2 | 0 | 0 | 0 | 113.2 | L1119 Q1120 K1131 | P1117-L1119 PolarHBondContact O-N 3.08Å; P1117-Q1120 PolarHBondContact O-N 3.47Å; P1117-K1131 WeakPolarHBondContact CD-O 3.48Å |
| 1118 | G | 83.4 | Confident | 80.7 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -68.9 | 5.2 | 179 | 0 | 0 | 0 | 0 | 0 | 116.1 | G1116 K1131 Y1175 | G1116-G1118 VanDerWaalsContact C-N 3.3Å; G1116-G1118 PolarHBondContact O-N 3.42Å; G1118-K1131 PolarHBondContact N-O 3.27Å; G1118-Y1175 WeakPolarHBondContact O-CE1 3.39Å; G1118-Y1175 PolarHBondContact O-OH 2.96Å |
| 1119 | L | 89.3 | Confident | 80.5 | Confident | 16 Ų | 16 | 55.1 Ų | 55.1 | 8% | 0.084 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -121.8 | 6.9 | 169.8 | -59.8 | 177.3 | 0 | 0 | 0 | 112.8 | A1114 G1116 P1117 F1132 V1185 F1199 | A1114-L1119 HydrophobicContact CB-CD1 3.66Å; G1116-L1119 PolarHBondContact O-N 2.86Å; G1116-L1119 VanDerWaalsContact O-N 3.12Å; P1117-L1119 PolarHBondContact O-N 3.08Å; L1119-F1132 HydrophobicContact CD1-CB 3.95Å; L1119-F1132 HydrophobicContact CD1-CD2 3.56Å; L1119-F1132 HydrophobicContact CD1-CE2 4.14Å; L1119-F1132 HydrophobicContact CD1-CG 3.82Å; L1119-F1132 HydrophobicContact CD2-CD1 3.95Å; L1119-F1132 HydrophobicContact CD2-CD2 4.13Å; L1119-F1132 HydrophobicContact CD2-CE1 4.02Å; L1119-F1132 HydrophobicContact CD2-CE2 4.19Å; L1119-F1132 HydrophobicContact CD2-CG 4Å; L1119-F1132 HydrophobicContact CD2-CZ 4.13Å; L1119-F1132 HydrophobicContact CG-CB 3.73Å; L1119-F1132 HydrophobicContact CG-CD1 3.98Å; L1119-F1132 HydrophobicContact CG-CD2 3.86Å; L1119-F1132 HydrophobicContact CG-CE2 4.41Å; L1119-F1132 HydrophobicContact CG-CG 3.61Å; L1119-V1185 HydrophobicContact CD2-CB 3.82Å; L1119-V1185 HydrophobicContact CD2-CG1 3.87Å; L1119-V1185 HydrophobicContact CD2-CG2 4.15Å; L1119-F1199 HydrophobicContact CB-CB 4.47Å; L1119-F1199 HydrophobicContact CB-CD1 4.45Å; L1119-F1199 HydrophobicContact CB-CG 4.43Å; L1119-F1199 HydrophobicContact CD1-CD1 4.46Å; L1119-F1199 HydrophobicContact CD1-CD2 4.25Å; L1119-F1199 HydrophobicContact CD1-CE1 4.47Å; L1119-F1199 HydrophobicContact CD1-CE2 4.27Å; L1119-F1199 HydrophobicContact CD1-CG 4.36Å; L1119-F1199 HydrophobicContact CD1-CZ 4.39Å; L1119-F1199 HydrophobicContact CD2-CB 3.86Å; L1119-F1199 HydrophobicContact CD2-CD2 3.82Å; L1119-F1199 HydrophobicContact CD2-CG 3.86Å; L1119-F1199 HydrophobicContact CG-CG 4.44Å |
| 1120 | Q | 82.9 | Confident | 80.6 | Confident | 114 Ų | 114 | 54.3 Ų | 54.3 | 53% | 0.533 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -78.5 | 143.8 | 177.1 | -65.5 | -157.3 | 9 | 0 | 0 | 111.6 | P1117 T1122 | P1117-Q1120 PolarHBondContact O-N 3.47Å; Q1120-T1122 PolarHBondContact O-N 2.93Å; Q1120-T1122 VanDerWaalsContact O-N 3.09Å |
| 1121 | P | 81.6 | Confident | 80.9 | Confident | 84 Ų | 84 | 51.9 Ų | 51.9 | 55% | 0.545 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -62 | -18.7 | -179.3 | -26.1 | 35.7 | 0 | 0 | 0 | 115.4 | P1200 N1202 | P1121-P1200 WeakPolarHBondContact CA-O 3.49Å; P1121-N1202 WeakPolarHBondContact O-CB 3.45Å; P1121-N1202 PolarHBondContact O-N 2.83Å |
| 1122 | T | 78.5 | Confident | 81.3 | Confident | 96 Ų | 96 | 45.8 Ų | 45.8 | 59% | 0.589 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -147.5 | 162.7 | 179.2 | 55 | 0 | 0 | 0 | 0 | 110.5 | Q1120 | Q1120-T1122 PolarHBondContact O-N 2.93Å; Q1120-T1122 VanDerWaalsContact O-N 3.09Å |
| 1123 | G | 71.9 | Confident | 81.5 | Confident | 34 Ų | 34 | 47.3 Ų | 47.3 | 35% | 0.351 | 26% | 0.257 | S | S | . | . | trans | 93.1 | 3.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R1211 | G1123-R1211 PolarHBondContact O-NH1 2.74Š| ||
| 1124 | V | 78.3 | Confident | 81.6 | Confident | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 136.4 | 163.2 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | A1130 P1177 V1201 V1203 A1204 | V1124-A1130 HydrophobicContact CG1-CB 3.85Å; V1124-P1177 HydrophobicContact CG1-CG 3.78Å; V1124-V1201 HydrophobicContact CB-CG1 4.03Å; V1124-V1201 HydrophobicContact CG2-CG1 3.74Å; V1124-V1203 HydrophobicContact CB-CG2 4.43Å; V1124-V1203 HydrophobicContact CG1-CG2 4.18Å; V1124-V1203 WeakPolarHBondContact O-CA 3.49Å; V1124-A1204 PolarHBondContact O-N 3.4Å; V1124-A1204 VanDerWaalsContact O-N 3.17Å |
| 1125 | F | 79.1 | Confident | 81.7 | Confident | 32 Ų | 32 | 43 Ų | 43 | 14% | 0.14 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 153.7 | -179.4 | -64 | -67.9 | 0 | 0 | 0 | 112.4 | E1127 S1128 A1204 D1208 G1236 | F1125-E1127 PolarHBondContact O-N 2.91Å; F1125-S1128 PolarHBondContact N-OG 2.96Å; F1125-S1128 VanDerWaalsContact N-OG 3.12Å; F1125-S1128 WeakPolarHBondContact O-CB 3.38Å; F1125-S1128 PolarHBondContact O-N 2.76Å; F1125-S1128 VanDerWaalsContact O-N 3.14Å; F1125-S1128 PolarHBondContact O-OG 3.15Å; F1125-A1204 CarbonylContact C-O 3.47Å; F1125-A1204 WeakPolarHBondContact CA-O 3.46Å; F1125-A1204 WeakPolarHBondContact CD1-O 3.47Å; F1125-D1208 HydrophobicContact CE2-CB 3.86Å; F1125-D1208 HydrophobicContact CZ-CB 4.21Å; F1125-G1236 VanDerWaalsContact CD2-O 3.29Å; F1125-G1236 WeakPolarHBondContact CD2-O 3.39Å |
| 1126 | K | 77.3 | Confident | 81.7 | Confident | 53 Ų | 53 | 37.2 Ų | 37.2 | 23% | 0.23 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | 136 | 172.9 | -164.9 | 176.2 | -168 | 167.8 | 0 | 109.6 | S1128 I1178 D1180 V1203 A1204 | K1126-S1128 PolarHBondContact O-N 2.85Å; K1126-I1178 WeakPolarHBondContact CE-O 3.25Å; K1126-D1180 HydrophobicContact CD-CB 4.28Å; K1126-D1180 WeakPolarHBondContact CE-OD1 3.44Å; K1126-D1180 IonicContact NZ-OD1 3.09Å; K1126-D1180 PolarHBondContact NZ-OD1 2.7Å; K1126-V1203 HydrophobicContact CB-CG1 4.31Å; K1126-A1204 PolarHBondContact N-O 3.22Å |
| 1127 | E | 71.8 | Confident | 81.8 | Confident | 102 Ų | 102 | 40.4 Ų | 40.4 | 48% | 0.477 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | -3.7 | -175.1 | -67.6 | 162.4 | -137.3 | 0 | 0 | 116.1 | F1125 P1177 Q1239 | F1125-E1127 PolarHBondContact O-N 2.91Å; E1127-P1177 PolarHBondContact N-O 2.88Å; E1127-Q1239 PolarHBondContact OE1-NE2 3.05Å; E1127-Q1239 VanDerWaalsContact OE1-NE2 3.09Å; E1127-Q1239 PolarHBondContact OE2-NE2 2.89Å |
| 1128 | S | 69.7 | Low | 82 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.028 | 22% | 0.222 | C | C | . | . | trans | -71.4 | 143.3 | 174.9 | 70.1 | 0 | 0 | 0 | 0 | 112.2 | F1125 K1126 A1130 P1177 | F1125-S1128 PolarHBondContact N-OG 2.96Å; F1125-S1128 VanDerWaalsContact N-OG 3.12Å; F1125-S1128 WeakPolarHBondContact O-CB 3.38Å; F1125-S1128 PolarHBondContact O-N 2.76Å; F1125-S1128 VanDerWaalsContact O-N 3.14Å; F1125-S1128 PolarHBondContact O-OG 3.15Å; K1126-S1128 PolarHBondContact O-N 2.85Å; S1128-A1130 PolarHBondContact O-N 2.85Å; S1128-P1177 VanDerWaalsContact O-CD 3.23Å; S1128-P1177 WeakPolarHBondContact O-CD 3.16Å | ||
| 1129 | F | 72.4 | Confident | 81.9 | Confident | 42 Ų | 42 | 41.8 Ų | 41.8 | 18% | 0.184 | 23% | 0.234 | C | C | . | . | trans | -62.5 | 133.1 | 165.9 | -125.9 | -98.4 | 0 | 0 | 0 | 109.3 | K1131 D1235 G1236 K1260 D1261 | F1129-K1131 HydrophobicContact CD1-CG 4.19Å; F1129-D1235 VanDerWaalsContact O-OD1 3.09Å; F1129-G1236 PolarHBondContact O-N 3.16Å; F1129-K1260 WeakPolarHBondContact CE2-O 3.43Å; F1129-K1260 VanDerWaalsContact CZ-O 3.23Å; F1129-K1260 WeakPolarHBondContact CZ-O 3.44Å; F1129-D1261 VanDerWaalsContact CD1-O 3.27Å; F1129-D1261 WeakPolarHBondContact CD1-O 3.46Å; F1129-D1261 VanDerWaalsContact CE1-O 3.27Å; F1129-D1261 WeakPolarHBondContact CE1-O 3.24Å | ||
| 1130 | A | 79 | Confident | 81.5 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 3% | 0.033 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 102.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | V1124 S1128 S1174 Y1175 | V1124-A1130 HydrophobicContact CG1-CB 3.85Å; S1128-A1130 PolarHBondContact O-N 2.85Å; A1130-S1174 WeakPolarHBondContact O-CA 3.33Å; A1130-Y1175 HydrophobicContact CB-CD1 4.25Å; A1130-Y1175 HydrophobicContact CB-CD2 4.18Å; A1130-Y1175 HydrophobicContact CB-CE1 3.91Å; A1130-Y1175 HydrophobicContact CB-CE2 3.84Å; A1130-Y1175 HydrophobicContact CB-CG 4.38Å; A1130-Y1175 WeakPolarHBondContact CB-O 3.35Å; A1130-Y1175 PolarHBondContact N-O 3.46Å; A1130-Y1175 WeakPolarHBondContact O-CD1 3.35Å; A1130-Y1175 PolarHBondContact O-N 3.1Å |
| 1131 | K | 85.3 | Confident | 81.3 | Confident | 25 Ų | 25 | 40.3 Ų | 40.3 | 11% | 0.109 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 144.4 | -176.1 | -63.6 | 166 | -161.1 | 176.1 | 0 | 112.2 | P1117 G1118 F1129 C1173 D1233 D1235 D1261 | P1117-K1131 WeakPolarHBondContact CD-O 3.48Å; G1118-K1131 PolarHBondContact N-O 3.27Å; F1129-K1131 HydrophobicContact CD1-CG 4.19Å; K1131-C1173 WeakPolarHBondContact CA-O 3.47Å; K1131-D1233 IonicContact NZ-OD1 2.67Å; K1131-D1233 PolarHBondContact NZ-OD1 3.38Å; K1131-D1235 HydrophobicContact CD-CB 4.2Å; K1131-D1235 VanDerWaalsContact CD-CG 3.44Å; K1131-D1235 WeakPolarHBondContact CD-OD1 3.38Å; K1131-D1235 WeakPolarHBondContact CE-OD1 3.44Å; K1131-D1235 WeakPolarHBondContact CG-OD1 3.36Å; K1131-D1235 IonicContact NZ-OD1 3.61Å; K1131-D1261 WeakPolarHBondContact CE-O 3.24Å; K1131-D1261 PolarHBondContact NZ-O 2.94Å |
| 1132 | F | 92 | Very high | 81 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 1% | 0.013 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 162 | 166.7 | 68.6 | -92.3 | 0 | 0 | 0 | 111.8 | L1119 V1134 A1149 C1173 Y1175 V1185 V1187 | L1119-F1132 HydrophobicContact CD1-CB 3.95Å; L1119-F1132 HydrophobicContact CD1-CD2 3.56Å; L1119-F1132 HydrophobicContact CD1-CE2 4.14Å; L1119-F1132 HydrophobicContact CD1-CG 3.82Å; L1119-F1132 HydrophobicContact CD2-CD1 3.95Å; L1119-F1132 HydrophobicContact CD2-CD2 4.13Å; L1119-F1132 HydrophobicContact CD2-CE1 4.02Å; L1119-F1132 HydrophobicContact CD2-CE2 4.19Å; L1119-F1132 HydrophobicContact CD2-CG 4Å; L1119-F1132 HydrophobicContact CD2-CZ 4.13Å; L1119-F1132 HydrophobicContact CG-CB 3.73Å; L1119-F1132 HydrophobicContact CG-CD1 3.98Å; L1119-F1132 HydrophobicContact CG-CD2 3.86Å; L1119-F1132 HydrophobicContact CG-CE2 4.41Å; L1119-F1132 HydrophobicContact CG-CG 3.61Å; F1132-V1134 HydrophobicContact CD2-CG2 4.28Å; F1132-V1134 HydrophobicContact CE2-CG2 3.91Å; F1132-A1149 HydrophobicContact CZ-CB 3.92Å; F1132-C1173 HydrophobicContact CD1-CB 4.05Å; F1132-C1173 HydrophobicContact CD2-CB 3.8Å; F1132-C1173 HydrophobicContact CE1-CB 3.74Å; F1132-C1173 HydrophobicContact CE2-CB 3.48Å; F1132-C1173 VanDerWaalsContact CE2-CB 3.48Å; F1132-C1173 HydrophobicContact CG-CB 4.08Å; F1132-C1173 HydrophobicContact CZ-CB 3.46Å; F1132-C1173 VanDerWaalsContact CZ-CB 3.46Å; F1132-C1173 PolarHBondContact N-O 2.8Å; F1132-C1173 WeakPolarHBondContact O-CA 3.44Å; F1132-C1173 PolarHBondContact O-N 3.34Å; F1132-Y1175 HydrophobicContact CD1-CD1 4.41Å; F1132-Y1175 HydrophobicContact CD1-CE1 4.13Å; F1132-Y1175 HydrophobicContact CE1-CD1 4.08Å; F1132-Y1175 HydrophobicContact CE1-CE1 4.01Å; F1132-V1185 HydrophobicContact CE1-CG1 3.86Å; F1132-V1185 HydrophobicContact CZ-CG1 3.81Å; F1132-V1187 HydrophobicContact CE2-CG1 4.46Å; F1132-V1187 HydrophobicContact CE2-CG2 3.82Å; F1132-V1187 HydrophobicContact CZ-CG2 3.83Å |
| 1133 | T | 90.7 | Very high | 81.1 | Confident | 32 Ų | 32 | 38 Ų | 38 | 20% | 0.196 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 139 | 179.5 | -57.5 | 0 | 0 | 0 | 0 | 110.1 | A1114 Y1115 T1170 Y1171 | A1114-T1133 CarbonylContact C-O 3.57Å; A1114-T1133 VanDerWaalsContact CA-O 3.31Å; A1114-T1133 WeakPolarHBondContact CA-O 3.37Å; Y1115-T1133 PolarHBondContact N-O 2.78Å; Y1115-T1133 PolarHBondContact O-N 2.81Å; T1133-T1170 HydrophobicContact CG2-CG2 4.39Å; T1133-Y1171 CarbonylContact C-O 3.47Å; T1133-Y1171 WeakPolarHBondContact CA-O 3.28Å |
| 1134 | V | 92.7 | Very high | 81.3 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 115 | 163.2 | -176.9 | 0 | 0 | 0 | 0 | 107.5 | V1112 H1113 A1114 F1132 V1147 T1170 Y1171 V1187 | V1112-V1134 HydrophobicContact CG1-CG1 3.48Å; V1112-V1134 VanDerWaalsContact CG1-CG1 3.48Å; H1113-V1134 CarbonylContact O-C 3.56Å; A1114-V1134 HydrophobicContact CB-CG2 4.12Å; F1132-V1134 HydrophobicContact CD2-CG2 4.28Å; F1132-V1134 HydrophobicContact CE2-CG2 3.91Å; V1134-V1147 HydrophobicContact CB-CG1 4.41Å; V1134-V1147 HydrophobicContact CB-CG2 4.23Å; V1134-V1147 HydrophobicContact CG1-CG2 4Å; V1134-V1147 HydrophobicContact CG2-CG1 4.03Å; V1134-T1170 CarbonylContact O-C 3.6Å; V1134-T1170 WeakPolarHBondContact O-CA 3.22Å; V1134-Y1171 PolarHBondContact N-O 3.4Å; V1134-Y1171 WeakPolarHBondContact O-CD2 3.43Å; V1134-Y1171 PolarHBondContact O-N 3.37Å; V1134-V1187 HydrophobicContact CG2-CG1 3.64Å |
| 1135 | D | 90.6 | Very high | 81.2 | Confident | 37 Ų | 37 | 43.7 Ų | 43.7 | 20% | 0.198 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 116.6 | 178.5 | -177.2 | 1.9 | 0 | 0 | 0 | 110.5 | V1112 H1113 Y1115 K1137 T1170 | V1112-D1135 CarbonylContact C-O 3.47Å; V1112-D1135 VanDerWaalsContact CA-O 3.31Å; V1112-D1135 WeakPolarHBondContact CA-O 3.43Å; H1113-D1135 PolarHBondContact N-O 2.96Å; H1113-D1135 PolarHBondContact O-N 2.92Å; Y1115-D1135 HydrophobicContact CE1-CB 3.79Å; D1135-K1137 WeakPolarHBondContact OD1-CB 3.46Å; D1135-K1137 WeakPolarHBondContact OD1-CG 3.29Å; D1135-K1137 PolarHBondContact OD1-N 2.84Å; D1135-T1170 HydrophobicContact CB-CG2 4.02Å |
| 1136 | A | 88.9 | Confident | 81.3 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -114.2 | 10.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1112 A1138 V1139 D1140 G1169 Y1171 Y1189 | V1112-A1136 HydrophobicContact CG1-CB 4.26Å; V1112-A1136 HydrophobicContact CG2-CB 3.92Å; A1136-A1138 PolarHBondContact O-N 2.79Å; A1136-V1139 HydrophobicContact CB-CG2 4.16Å; A1136-V1139 VanDerWaalsContact O-CG2 3.32Å; A1136-V1139 WeakPolarHBondContact O-CG2 3.33Å; A1136-V1139 PolarHBondContact O-N 3.26Å; A1136-D1140 PolarHBondContact O-N 3.17Å; A1136-G1169 CarbonylContact C-O 3.51Å; A1136-G1169 WeakPolarHBondContact CA-O 3.49Å; A1136-G1169 WeakPolarHBondContact CB-O 3.41Å; A1136-G1169 PolarHBondContact N-O 2.7Å; A1136-Y1171 HydrophobicContact CB-CE2 4.2Å; A1136-Y1189 HydrophobicContact CB-CD2 4Å; A1136-Y1189 HydrophobicContact CB-CE2 3.31Å | ||
| 1137 | K | 85.8 | Confident | 81.7 | Confident | 90 Ų | 90 | 45 Ų | 45 | 39% | 0.391 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -33.9 | -179.3 | -81.9 | 165.5 | 170.6 | 160.8 | 0 | 114 | D1135 V1139 P1141 D1168 G1169 T1170 | D1135-K1137 WeakPolarHBondContact OD1-CB 3.46Å; D1135-K1137 WeakPolarHBondContact OD1-CG 3.29Å; D1135-K1137 PolarHBondContact OD1-N 2.84Å; K1137-V1139 PolarHBondContact O-N 3.04Å; K1137-P1141 WeakPolarHBondContact O-CD 3.28Å; K1137-D1168 WeakPolarHBondContact CE-O 3.43Å; K1137-D1168 WeakPolarHBondContact CE-OD2 3.49Å; K1137-D1168 WeakPolarHBondContact CG-O 3.29Å; K1137-D1168 IonicContact NZ-OD1 3.84Å; K1137-D1168 IonicContact NZ-OD2 2.77Å; K1137-D1168 PolarHBondContact NZ-OD2 3.34Å; K1137-G1169 PolarHBondContact N-O 3.25Å; K1137-T1170 HydrophobicContact CD-CG2 3.84Å; K1137-T1170 HydrophobicContact CG-CG2 4.28Å |
| 1138 | A | 80.5 | Confident | 82.4 | Confident | 63 Ų | 63 | 46.6 Ų | 46.6 | 52% | 0.521 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -10 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R1111 A1136 | R1111-A1138 HydrophobicContact CB-CB 4.03Å; A1136-A1138 PolarHBondContact O-N 2.79Å |
| 1139 | V | 81.5 | Confident | 83.3 | Confident | 40 Ų | 40 | 46.6 Ų | 46.6 | 24% | 0.242 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.7 | -26.5 | -177.3 | -68.3 | 0 | 0 | 0 | 0 | 114.8 | D1108 R1111 V1112 A1136 K1137 | D1108-V1139 WeakPolarHBondContact O-CG1 3.37Å; R1111-V1139 HydrophobicContact CB-CG1 3.96Å; R1111-V1139 HydrophobicContact CG-CG1 4.26Å; V1112-V1139 HydrophobicContact CG2-CG2 3.73Å; A1136-V1139 HydrophobicContact CB-CG2 4.16Å; A1136-V1139 VanDerWaalsContact O-CG2 3.32Å; A1136-V1139 WeakPolarHBondContact O-CG2 3.33Å; A1136-V1139 PolarHBondContact O-N 3.26Å; K1137-V1139 PolarHBondContact O-N 3.04Å |
| 1140 | D | 80.7 | Confident | 84 | Confident | 14 Ų | 14 | 46.9 Ų | 46.9 | 8% | 0.075 | 24% | 0.241 | C | C | . | . | trans | -146.9 | 74.1 | 176.4 | -175.7 | 13.5 | 0 | 0 | 0 | 110.9 | A1136 Q1142 S1143 R1144 G1145 G1169 Y1189 | A1136-D1140 PolarHBondContact O-N 3.17Å; D1140-Q1142 PolarHBondContact O-N 2.95Å; D1140-Q1142 PolarHBondContact OD1-N 2.97Å; D1140-S1143 PolarHBondContact O-N 3.46Å; D1140-R1144 WeakPolarHBondContact OD2-CA 3.27Å; D1140-R1144 WeakPolarHBondContact OD2-CB 2.93Å; D1140-R1144 PolarHBondContact OD2-N 2.65Å; D1140-G1145 PolarHBondContact OD2-N 3Å; D1140-G1169 VanDerWaalsContact O-CA 3.28Å; D1140-G1169 WeakPolarHBondContact O-CA 3.44Å; D1140-Y1189 WeakPolarHBondContact CB-OH 3.5Å; D1140-Y1189 PolarHBondContact OD2-OH 2.82Å | ||
| 1141 | P | 79.1 | Confident | 84.5 | Confident | 84 Ų | 84 | 47 Ų | 47 | 55% | 0.545 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 17.4 | 175.5 | 33.3 | -37.1 | 0 | 0 | 0 | 113.2 | K1137 | K1137-P1141 WeakPolarHBondContact O-CD 3.28Š|
| 1142 | Q | 76.3 | Confident | 84.5 | Confident | 122 Ų | 122 | 46.7 Ų | 46.7 | 57% | 0.57 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -121.1 | 15.8 | 173.9 | -65 | -167.9 | -12.2 | 0 | 0 | 112.2 | D1140 R1144 | D1140-Q1142 PolarHBondContact O-N 2.95Å; D1140-Q1142 PolarHBondContact OD1-N 2.97Å; Q1142-R1144 HydrophobicContact CB-CG 4.02Å; Q1142-R1144 WeakPolarHBondContact O-CG 3.39Å; Q1142-R1144 PolarHBondContact O-N 2.61Å; Q1142-R1144 VanDerWaalsContact OE1-CZ 3.24Å; Q1142-R1144 VanDerWaalsContact OE1-NE 3.09Å |
| 1143 | S | 79.3 | Confident | 84.1 | Confident | 10 Ų | 10 | 47 Ų | 47 | 7% | 0.07 | 24% | 0.244 | C | C | . | . | trans | 52.3 | 33.1 | 170.4 | -100.2 | 0 | 0 | 0 | 0 | 115 | D1140 N1165 G1167 D1168 G1169 Y1171 | D1140-S1143 PolarHBondContact O-N 3.46Å; S1143-N1165 WeakPolarHBondContact CB-OD1 3.23Å; S1143-N1165 PolarHBondContact O-ND2 2.86Å; S1143-N1165 PolarHBondContact OG-OD1 3.5Å; S1143-G1167 VanDerWaalsContact CB-C 3.42Å; S1143-G1167 WeakPolarHBondContact CB-O 3.23Å; S1143-G1167 VanDerWaalsContact OG-C 3.31Å; S1143-G1167 PolarHBondContact OG-N 2.9Å; S1143-D1168 PolarHBondContact OG-N 3.27Å; S1143-G1169 WeakPolarHBondContact OG-CA 3.27Å; S1143-G1169 PolarHBondContact OG-N 2.69Å; S1143-Y1171 VanDerWaalsContact C-OH 3.29Å; S1143-Y1171 WeakPolarHBondContact CA-OH 3.48Å | ||
| 1144 | R | 77 | Confident | 83.5 | Confident | 153 Ų | 153 | 48.4 Ų | 48.4 | 58% | 0.577 | 25% | 0.254 | S | S | * | . | trans | -80 | -27.5 | -177.2 | -53.8 | -179.2 | 172.5 | -145.8 | -3.4 | 111.1 | R1104 D1140 Q1142 | R1104-R1144 VanDerWaalsContact NH1-C 3.34Å; R1104-R1144 PolarHBondContact NH1-O 3.21Å; R1104-R1144 PolarHBondContact NH2-O 2.98Å; D1140-R1144 WeakPolarHBondContact OD2-CA 3.27Å; D1140-R1144 WeakPolarHBondContact OD2-CB 2.93Å; D1140-R1144 PolarHBondContact OD2-N 2.65Å; Q1142-R1144 HydrophobicContact CB-CG 4.02Å; Q1142-R1144 WeakPolarHBondContact O-CG 3.39Å; Q1142-R1144 PolarHBondContact O-N 2.61Å; Q1142-R1144 VanDerWaalsContact OE1-CZ 3.24Å; Q1142-R1144 VanDerWaalsContact OE1-NE 3.09Å | ||
| 1145 | G | 74.6 | Confident | 82.8 | Confident | 7 Ų | 7 | 52.6 Ų | 52.6 | 7% | 0.072 | 28% | 0.276 | C | S | . | . | trans | -50.4 | 153.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | R1104 D1140 Y1171 Y1189 D1190 | R1104-G1145 VanDerWaalsContact NH1-CA 3.35Å; D1140-G1145 PolarHBondContact OD2-N 3Å; G1145-Y1171 VanDerWaalsContact CA-OH 3.28Å; G1145-Y1171 WeakPolarHBondContact CA-OH 3.08Å; G1145-Y1171 PolarHBondContact N-OH 2.65Å; G1145-Y1171 VanDerWaalsContact N-OH 3.1Å; G1145-Y1171 WeakPolarHBondContact O-CE1 3.46Å; G1145-Y1171 PolarHBondContact O-OH 2.88Å; G1145-Y1189 VanDerWaalsContact CA-OH 3.28Å; G1145-Y1189 WeakPolarHBondContact CA-OH 3.37Å; G1145-D1190 WeakPolarHBondContact CA-OD1 3.4Å | ||
| 1146 | I | 81.9 | Confident | 82.3 | Confident | 104 Ų | 104 | 59 Ų | 59 | 53% | 0.533 | 30% | 0.302 | S | S | . | . | trans | -107.4 | 105.9 | 167.5 | -56.1 | 177.3 | 0 | 0 | 0 | 108 | K1148 D1190 | I1146-K1148 HydrophobicContact CG2-CG 4.36Å; I1146-D1190 PolarHBondContact N-OD1 3.18Å; I1146-D1190 PolarHBondContact O-N 3.32Å | ||
| 1147 | V | 86.8 | Confident | 81.6 | Confident | 10 Ų | 10 | 64.6 Ų | 64.6 | 6% | 0.061 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 136.9 | 165 | 177.7 | 0 | 0 | 0 | 0 | 109 | V1134 I1163 Y1171 T1188 Y1189 | V1134-V1147 HydrophobicContact CB-CG1 4.41Å; V1134-V1147 HydrophobicContact CB-CG2 4.23Å; V1134-V1147 HydrophobicContact CG1-CG2 4Å; V1134-V1147 HydrophobicContact CG2-CG1 4.03Å; V1147-I1163 HydrophobicContact CB-CG2 4.28Å; V1147-I1163 HydrophobicContact CG1-CD1 4.17Å; V1147-I1163 HydrophobicContact CG1-CG2 4.48Å; V1147-I1163 WeakPolarHBondContact O-CD1 3.31Å; V1147-Y1171 HydrophobicContact CB-CD1 4.24Å; V1147-Y1171 HydrophobicContact CB-CG 4.23Å; V1147-Y1171 HydrophobicContact CG2-CD1 3.76Å; V1147-Y1171 HydrophobicContact CG2-CD2 3.59Å; V1147-Y1171 HydrophobicContact CG2-CE1 4.17Å; V1147-Y1171 HydrophobicContact CG2-CE2 4.06Å; V1147-Y1171 HydrophobicContact CG2-CG 3.47Å; V1147-Y1171 VanDerWaalsContact CG2-CG 3.47Å; V1147-T1188 VanDerWaalsContact CA-O 3.31Å; V1147-T1188 WeakPolarHBondContact CA-O 3.26Å; V1147-Y1189 HydrophobicContact CG2-CD2 3.76Å; V1147-Y1189 HydrophobicContact CG2-CE2 4.3Å |
| 1148 | K | 84.9 | Confident | 81.6 | Confident | 135 Ų | 135 | 66.5 Ų | 66.5 | 59% | 0.587 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 128.6 | 161.6 | -65.2 | -177 | 178.5 | -177.5 | 0 | 108.6 | I1146 T1188 | I1146-K1148 HydrophobicContact CG2-CG 4.36Å; K1148-T1188 PolarHBondContact N-O 2.85Å; K1148-T1188 PolarHBondContact O-N 3.1Å; K1148-T1188 PolarHBondContact O-OG1 2.88Å |
| 1149 | A | 89.4 | Confident | 81.6 | Confident | 3 Ų | 3 | 66.5 Ų | 66.5 | 3% | 0.025 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 137.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | F1132 C1161 I1163 E1186 V1187 | F1132-A1149 HydrophobicContact CZ-CB 3.92Å; A1149-C1161 HydrophobicContact CB-CB 3.9Å; A1149-C1161 PolarHBondContact O-N 2.88Å; A1149-I1163 HydrophobicContact CB-CD1 4.32Å; A1149-E1186 CarbonylContact C-O 3.55Å; A1149-E1186 VanDerWaalsContact CA-O 3.22Å; A1149-E1186 WeakPolarHBondContact CA-O 3.37Å; A1149-V1187 HydrophobicContact CB-CG2 4.12Å |
| 1150 | I | 87.2 | Confident | 81.6 | Confident | 48 Ų | 48 | 68.2 Ų | 68.2 | 25% | 0.246 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 120.9 | -175.9 | -60 | 173.7 | 0 | 0 | 0 | 107.9 | V1152 R1158 T1159 E1186 | I1150-V1152 HydrophobicContact CG2-CG2 4.44Å; I1150-R1158 HydrophobicContact CG2-CB 3.85Å; I1150-R1158 HydrophobicContact CG2-CG 4.4Å; I1150-T1159 CarbonylContact C-O 3.56Å; I1150-T1159 WeakPolarHBondContact CA-O 3.14Å; I1150-E1186 HydrophobicContact CB-CB 4.43Å; I1150-E1186 PolarHBondContact N-O 2.93Å; I1150-E1186 PolarHBondContact O-N 2.88Å |
| 1151 | V | 88.5 | Confident | 81.9 | Confident | 6 Ų | 6 | 68.1 Ų | 68.1 | 4% | 0.036 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 122.6 | 168.5 | -171.4 | 0 | 0 | 0 | 0 | 108.3 | R1158 T1159 Y1175 H1183 V1185 | V1151-R1158 WeakPolarHBondContact O-CA 3.21Å; V1151-T1159 PolarHBondContact N-O 3.04Å; V1151-T1159 PolarHBondContact O-N 2.89Å; V1151-Y1175 HydrophobicContact CG1-CD2 4.31Å; V1151-Y1175 HydrophobicContact CG1-CE2 4.29Å; V1151-Y1175 HydrophobicContact CG2-CD1 3.75Å; V1151-Y1175 HydrophobicContact CG2-CD2 3.65Å; V1151-Y1175 HydrophobicContact CG2-CE1 4.2Å; V1151-Y1175 HydrophobicContact CG2-CE2 4.11Å; V1151-Y1175 HydrophobicContact CG2-CG 3.44Å; V1151-Y1175 VanDerWaalsContact CG2-CG 3.44Å; V1151-H1183 HydrophobicContact CG1-CB 4.25Å; V1151-V1185 HydrophobicContact CG2-CG1 4.49Å; V1151-V1185 HydrophobicContact CG2-CG2 4.45Å |
| 1152 | V | 86.4 | Confident | 82 | Confident | 19 Ų | 19 | 69.9 Ų | 69.9 | 12% | 0.115 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 111.4 | 169.2 | -168.4 | 0 | 0 | 0 | 0 | 107.5 | I1150 Q1157 R1158 H1183 H1184 E1186 | I1150-V1152 HydrophobicContact CG2-CG2 4.44Å; V1152-Q1157 WeakPolarHBondContact CA-O 3.47Å; V1152-R1158 HydrophobicContact CG1-CG 4.43Å; V1152-R1158 HydrophobicContact CG2-CG 4.28Å; V1152-H1183 CarbonylContact O-C 3.53Å; V1152-H1183 WeakPolarHBondContact O-CA 3Å; V1152-H1184 HydrophobicContact CB-CB 4.24Å; V1152-H1184 WeakPolarHBondContact CB-O 3.36Å; V1152-H1184 PolarHBondContact N-O 2.87Å; V1152-H1184 PolarHBondContact O-N 3.05Å; V1152-E1186 HydrophobicContact CG2-CG 4.34Å |
| 1153 | S | 83.8 | Confident | 82.5 | Confident | 9 Ų | 9 | 66.9 Ų | 66.9 | 6% | 0.063 | 34% | 0.337 | C | S | . | . | trans | -79.4 | 169.7 | 178.4 | 52.2 | 0 | 0 | 0 | 0 | 112 | N1155 K1156 Q1157 D1179 H1183 | S1153-N1155 PolarHBondContact O-N 3.3Å; S1153-N1155 VanDerWaalsContact O-N 3.17Å; S1153-N1155 PolarHBondContact OG-OD1 3.29Å; S1153-K1156 WeakPolarHBondContact O-CA 3.49Å; S1153-K1156 PolarHBondContact O-N 2.9Å; S1153-Q1157 PolarHBondContact N-O 3.49Å; S1153-Q1157 VanDerWaalsContact N-O 3.08Å; S1153-Q1157 PolarHBondContact OG-O 2.91Å; S1153-D1179 WeakPolarHBondContact CB-OD2 3.49Å; S1153-D1179 PolarHBondContact OG-OD2 2.82Å; S1153-D1179 VanDerWaalsContact OG-OD2 3.1Å; S1153-H1183 WeakPolarHBondContact CB-NE2 3.48Å | ||
| 1154 | P | 77.7 | Confident | 82.7 | Confident | 63 Ų | 63 | 71.6 Ų | 71.6 | 41% | 0.409 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -31.4 | -176.2 | -27.1 | 34.2 | 0 | 0 | 0 | 114.6 | K1156 L1182 H1183 | P1154-K1156 PolarHBondContact O-N 2.85Å; P1154-L1182 WeakPolarHBondContact CG-O 3.24Å; P1154-H1183 VanDerWaalsContact CD-CE1 3.49Å; P1154-H1183 WeakPolarHBondContact CD-CE1 3.46Å |
| 1155 | N | 79.1 | Confident | 83 | Confident | 87 Ų | 87 | 68 Ų | 68 | 47% | 0.465 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 0.3 | 175 | 60.2 | 30 | 0 | 0 | 0 | 113.7 | S1153 Q1157 D1179 | S1153-N1155 PolarHBondContact O-N 3.3Å; S1153-N1155 VanDerWaalsContact O-N 3.17Å; S1153-N1155 PolarHBondContact OG-OD1 3.29Å; N1155-Q1157 VanDerWaalsContact C-N 3.34Å; N1155-Q1157 WeakPolarHBondContact OD1-CB 3.45Å; N1155-Q1157 PolarHBondContact OD1-N 2.86Å; N1155-D1179 PolarHBondContact ND2-OD1 3.05Å; N1155-D1179 VanDerWaalsContact ND2-OD1 3.11Å; N1155-D1179 PolarHBondContact ND2-OD2 3.17Å |
| 1156 | K | 78.9 | Confident | 83.4 | Confident | 171 Ų | 171 | 70.8 Ų | 70.8 | 74% | 0.743 | 36% | 0.363 | S | S | * | . | trans | 70.8 | 12.5 | -176.8 | -51.5 | -178.8 | -179.2 | 178.3 | 0 | 116.1 | S1153 P1154 | S1153-K1156 WeakPolarHBondContact O-CA 3.49Å; S1153-K1156 PolarHBondContact O-N 2.9Å; P1154-K1156 PolarHBondContact O-N 2.85Å | ||
| 1157 | Q | 75.1 | Confident | 83.1 | Confident | 119 Ų | 119 | 68.3 Ų | 68.3 | 56% | 0.556 | 36% | 0.364 | S | S | * | . | trans | -62 | 142.5 | 167 | -170.5 | 170.9 | -5.9 | 0 | 0 | 109.7 | V1152 S1153 N1155 | V1152-Q1157 WeakPolarHBondContact CA-O 3.47Å; S1153-Q1157 PolarHBondContact N-O 3.49Å; S1153-Q1157 VanDerWaalsContact N-O 3.08Å; S1153-Q1157 PolarHBondContact OG-O 2.91Å; N1155-Q1157 VanDerWaalsContact C-N 3.34Å; N1155-Q1157 WeakPolarHBondContact OD1-CB 3.45Å; N1155-Q1157 PolarHBondContact OD1-N 2.86Å | ||
| 1158 | R | 84.7 | Confident | 82.9 | Confident | 130 Ų | 130 | 71 Ų | 71 | 49% | 0.491 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 101 | -172.8 | -66.3 | -178.7 | 66.7 | 90 | -2 | 110.1 | I1150 V1151 V1152 E1186 | I1150-R1158 HydrophobicContact CG2-CB 3.85Å; I1150-R1158 HydrophobicContact CG2-CG 4.4Å; V1151-R1158 WeakPolarHBondContact O-CA 3.21Å; V1152-R1158 HydrophobicContact CG1-CG 4.43Å; V1152-R1158 HydrophobicContact CG2-CG 4.28Å; R1158-E1186 IonicContact CZ-OE1 2.76Å; R1158-E1186 IonicContact CZ-OE2 3.28Å; R1158-E1186 IonicContact NH1-OE1 3.63Å; R1158-E1186 PolarHBondContact NH1-OE1 3.04Å; R1158-E1186 IonicContact NH1-OE2 2.77Å; R1158-E1186 PolarHBondContact NH1-OE2 3.4Å; R1158-E1186 IonicContact NH2-OE1 3.75Å; R1158-E1186 IonicContact NH2-OE2 3.16Å; R1158-E1186 PolarHBondContact NH2-OE2 2.8Å |
| 1159 | T | 80.6 | Confident | 82.7 | Confident | 63 Ų | 63 | 64.5 Ų | 64.5 | 39% | 0.387 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 127.2 | -178.8 | -56.9 | 0 | 0 | 0 | 0 | 109.6 | I1150 V1151 | I1150-T1159 CarbonylContact C-O 3.56Å; I1150-T1159 WeakPolarHBondContact CA-O 3.14Å; V1151-T1159 PolarHBondContact N-O 3.04Å; V1151-T1159 PolarHBondContact O-N 2.89Å |
| 1160 | A | 82.5 | Confident | 82.6 | Confident | 75 Ų | 75 | 64.8 Ų | 64.8 | 62% | 0.62 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 138.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1161 | C | 85.6 | Confident | 82.7 | Confident | 12 Ų | 12 | 62.7 Ų | 62.7 | 8% | 0.081 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -70 | 149.2 | 168.3 | -57.2 | 0 | 0 | 0 | 0 | 110.1 | A1149 I1163 S1174 | A1149-C1161 HydrophobicContact CB-CB 3.9Å; A1149-C1161 PolarHBondContact O-N 2.88Å; C1161-I1163 HydrophobicContact CB-CG1 4.36Å; C1161-S1174 CarbonylContact C-O 3.59Å; C1161-S1174 WeakPolarHBondContact CA-O 3.38Å; C1161-S1174 WeakPolarHBondContact CB-O 3.43Å |
| 1162 | L | 80.9 | Confident | 82.7 | Confident | 121 Ų | 121 | 65.4 Ų | 65.4 | 63% | 0.634 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 137 | 159.4 | -161.4 | 79.5 | 0 | 0 | 0 | 108.2 | C1173 S1174 | L1162-C1173 CarbonylContact O-C 3.59Å; L1162-C1173 VanDerWaalsContact O-CA 3.31Å; L1162-C1173 WeakPolarHBondContact O-CA 3.33Å; L1162-S1174 PolarHBondContact N-O 3.34Å; L1162-S1174 PolarHBondContact O-N 2.63Å |
| 1163 | I | 87.3 | Confident | 82.8 | Confident | 60 Ų | 60 | 64.5 Ų | 64.5 | 31% | 0.308 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 116.7 | -175.3 | -56.9 | 171.9 | 0 | 0 | 0 | 109.2 | V1147 A1149 C1161 | V1147-I1163 HydrophobicContact CB-CG2 4.28Å; V1147-I1163 HydrophobicContact CG1-CD1 4.17Å; V1147-I1163 HydrophobicContact CG1-CG2 4.48Å; V1147-I1163 WeakPolarHBondContact O-CD1 3.31Å; A1149-I1163 HydrophobicContact CB-CD1 4.32Å; C1161-I1163 HydrophobicContact CB-CG1 4.36Å |
| 1164 | Q | 83.4 | Confident | 83 | Confident | 109 Ų | 109 | 64.6 Ų | 64.6 | 51% | 0.509 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 133 | 172 | 179.2 | 177.9 | 14 | 0 | 0 | 109 | Y1171 K1172 | Q1164-Y1171 CarbonylContact O-C 3.51Å; Q1164-Y1171 WeakPolarHBondContact O-CA 3.48Å; Q1164-K1172 HydrophobicContact CB-CB 4.31Å; Q1164-K1172 PolarHBondContact N-O 3.03Å; Q1164-K1172 PolarHBondContact O-N 3.18Å |
| 1165 | N | 84.5 | Confident | 83.4 | Confident | 76 Ų | 76 | 62.2 Ų | 62.2 | 41% | 0.406 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 124.8 | 174.6 | -175.7 | -6.8 | 0 | 0 | 0 | 108.8 | S1143 G1167 Y1171 | S1143-N1165 WeakPolarHBondContact CB-OD1 3.23Å; S1143-N1165 PolarHBondContact O-ND2 2.86Å; S1143-N1165 PolarHBondContact OG-OD1 3.5Å; N1165-G1167 VanDerWaalsContact C-N 3.34Å; N1165-G1167 PolarHBondContact OD1-N 2.82Å; N1165-Y1171 HydrophobicContact CB-CD1 3.92Å; N1165-Y1171 HydrophobicContact CB-CE1 4.13Å; N1165-Y1171 VanDerWaalsContact CG-CE1 3.5Å |
| 1166 | N | 81.5 | Confident | 83.6 | Confident | 66 Ų | 66 | 60.4 Ų | 60.4 | 35% | 0.353 | 32% | 0.323 | S | S | . | . | trans | -90.3 | 6.4 | -173 | -57.4 | -22.3 | 0 | 0 | 0 | 113.3 | D1168 T1170 | N1166-D1168 PolarHBondContact O-N 2.97Å; N1166-T1170 WeakPolarHBondContact CB-O 3.46Å; N1166-T1170 PolarHBondContact N-O 2.82Å; N1166-T1170 PolarHBondContact ND2-OG1 2.82Å | ||
| 1167 | G | 76.6 | Confident | 83.6 | Confident | 53 Ų | 53 | 52.4 Ų | 52.4 | 55% | 0.546 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 72.7 | -18.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | S1143 N1165 | S1143-G1167 VanDerWaalsContact CB-C 3.42Å; S1143-G1167 WeakPolarHBondContact CB-O 3.23Å; S1143-G1167 VanDerWaalsContact OG-C 3.31Å; S1143-G1167 PolarHBondContact OG-N 2.9Å; N1165-G1167 VanDerWaalsContact C-N 3.34Å; N1165-G1167 PolarHBondContact OD1-N 2.82Å |
| 1168 | D | 82.8 | Confident | 83.7 | Confident | 65 Ų | 65 | 52.4 Ų | 52.4 | 35% | 0.348 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -98.7 | 6.3 | -171.8 | 75.7 | -9.6 | 0 | 0 | 0 | 115.1 | K1137 S1143 N1166 T1170 | K1137-D1168 WeakPolarHBondContact CE-O 3.43Å; K1137-D1168 WeakPolarHBondContact CE-OD2 3.49Å; K1137-D1168 WeakPolarHBondContact CG-O 3.29Å; K1137-D1168 IonicContact NZ-OD1 3.84Å; K1137-D1168 IonicContact NZ-OD2 2.77Å; K1137-D1168 PolarHBondContact NZ-OD2 3.34Å; S1143-D1168 PolarHBondContact OG-N 3.27Å; N1166-D1168 PolarHBondContact O-N 2.97Å; D1168-T1170 WeakPolarHBondContact OD1-CA 3.31Å; D1168-T1170 VanDerWaalsContact OD1-CB 3.32Å; D1168-T1170 WeakPolarHBondContact OD1-CB 3.35Å; D1168-T1170 PolarHBondContact OD1-N 2.89Å; D1168-T1170 PolarHBondContact OD1-OG1 3.02Å |
| 1169 | G | 79.8 | Confident | 83.5 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | S | Bend | trans | 96.2 | -1.5 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A1136 K1137 D1140 S1143 | A1136-G1169 CarbonylContact C-O 3.51Å; A1136-G1169 WeakPolarHBondContact CA-O 3.49Å; A1136-G1169 WeakPolarHBondContact CB-O 3.41Å; A1136-G1169 PolarHBondContact N-O 2.7Å; K1137-G1169 PolarHBondContact N-O 3.25Å; D1140-G1169 VanDerWaalsContact O-CA 3.28Å; D1140-G1169 WeakPolarHBondContact O-CA 3.44Å; S1143-G1169 WeakPolarHBondContact OG-CA 3.27Å; S1143-G1169 PolarHBondContact OG-N 2.69Å |
| 1170 | T | 87.5 | Confident | 83.4 | Confident | 8 Ų | 8 | 49.2 Ų | 49.2 | 5% | 0.049 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 152.8 | 174.1 | 67.1 | 0 | 0 | 0 | 0 | 113.2 | T1133 V1134 D1135 K1137 N1166 D1168 | T1133-T1170 HydrophobicContact CG2-CG2 4.39Å; V1134-T1170 CarbonylContact O-C 3.6Å; V1134-T1170 WeakPolarHBondContact O-CA 3.22Å; D1135-T1170 HydrophobicContact CB-CG2 4.02Å; K1137-T1170 HydrophobicContact CD-CG2 3.84Å; K1137-T1170 HydrophobicContact CG-CG2 4.28Å; N1166-T1170 WeakPolarHBondContact CB-O 3.46Å; N1166-T1170 PolarHBondContact N-O 2.82Å; N1166-T1170 PolarHBondContact ND2-OG1 2.82Å; D1168-T1170 WeakPolarHBondContact OD1-CA 3.31Å; D1168-T1170 VanDerWaalsContact OD1-CB 3.32Å; D1168-T1170 WeakPolarHBondContact OD1-CB 3.35Å; D1168-T1170 PolarHBondContact OD1-N 2.89Å; D1168-T1170 PolarHBondContact OD1-OG1 3.02Å |
| 1171 | Y | 90.3 | Very high | 83.4 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 116.7 | -177.9 | -51.4 | -105.9 | 0 | 0 | 0 | 108.7 | T1133 V1134 A1136 S1143 G1145 V1147 Q1164 N1165 Y1189 | T1133-Y1171 CarbonylContact C-O 3.47Å; T1133-Y1171 WeakPolarHBondContact CA-O 3.28Å; V1134-Y1171 PolarHBondContact N-O 3.4Å; V1134-Y1171 WeakPolarHBondContact O-CD2 3.43Å; V1134-Y1171 PolarHBondContact O-N 3.37Å; A1136-Y1171 HydrophobicContact CB-CE2 4.2Å; S1143-Y1171 VanDerWaalsContact C-OH 3.29Å; S1143-Y1171 WeakPolarHBondContact CA-OH 3.48Å; G1145-Y1171 VanDerWaalsContact CA-OH 3.28Å; G1145-Y1171 WeakPolarHBondContact CA-OH 3.08Å; G1145-Y1171 PolarHBondContact N-OH 2.65Å; G1145-Y1171 VanDerWaalsContact N-OH 3.1Å; G1145-Y1171 WeakPolarHBondContact O-CE1 3.46Å; G1145-Y1171 PolarHBondContact O-OH 2.88Å; V1147-Y1171 HydrophobicContact CB-CD1 4.24Å; V1147-Y1171 HydrophobicContact CB-CG 4.23Å; V1147-Y1171 HydrophobicContact CG2-CD1 3.76Å; V1147-Y1171 HydrophobicContact CG2-CD2 3.59Å; V1147-Y1171 HydrophobicContact CG2-CE1 4.17Å; V1147-Y1171 HydrophobicContact CG2-CE2 4.06Å; V1147-Y1171 HydrophobicContact CG2-CG 3.47Å; V1147-Y1171 VanDerWaalsContact CG2-CG 3.47Å; Q1164-Y1171 CarbonylContact O-C 3.51Å; Q1164-Y1171 WeakPolarHBondContact O-CA 3.48Å; N1165-Y1171 HydrophobicContact CB-CD1 3.92Å; N1165-Y1171 HydrophobicContact CB-CE1 4.13Å; N1165-Y1171 VanDerWaalsContact CG-CE1 3.5Å; Y1171-Y1189 AromaticContact CE2-CE2 3.75Å; Y1171-Y1189 HydrophobicContact CE2-CE2 3.75Å |
| 1172 | K | 88.1 | Confident | 83.5 | Confident | 64 Ų | 64 | 50.1 Ų | 50.1 | 28% | 0.278 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 115.9 | 176.4 | -178.1 | -171 | 173.4 | -163.5 | 0 | 108.2 | Q1164 D1261 | Q1164-K1172 HydrophobicContact CB-CB 4.31Å; Q1164-K1172 PolarHBondContact N-O 3.03Å; Q1164-K1172 PolarHBondContact O-N 3.18Å; K1172-D1261 IonicContact NZ-OD2 3.67Å; K1172-D1261 PolarHBondContact NZ-OD2 3.19Å |
| 1173 | C | 88.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 141.5 | 179.8 | -61 | 0 | 0 | 0 | 0 | 110.1 | K1131 F1132 L1162 | K1131-C1173 WeakPolarHBondContact CA-O 3.47Å; F1132-C1173 HydrophobicContact CD1-CB 4.05Å; F1132-C1173 HydrophobicContact CD2-CB 3.8Å; F1132-C1173 HydrophobicContact CE1-CB 3.74Å; F1132-C1173 HydrophobicContact CE2-CB 3.48Å; F1132-C1173 VanDerWaalsContact CE2-CB 3.48Å; F1132-C1173 HydrophobicContact CG-CB 4.08Å; F1132-C1173 HydrophobicContact CZ-CB 3.46Å; F1132-C1173 VanDerWaalsContact CZ-CB 3.46Å; F1132-C1173 PolarHBondContact N-O 2.8Å; F1132-C1173 WeakPolarHBondContact O-CA 3.44Å; F1132-C1173 PolarHBondContact O-N 3.34Å; L1162-C1173 CarbonylContact O-C 3.59Å; L1162-C1173 VanDerWaalsContact O-CA 3.31Å; L1162-C1173 WeakPolarHBondContact O-CA 3.33Å |
| 1174 | S | 86.1 | Confident | 84.1 | Confident | 11 Ų | 11 | 45.3 Ų | 45.3 | 8% | 0.077 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 151.9 | 176.9 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | A1130 C1161 L1162 | A1130-S1174 WeakPolarHBondContact O-CA 3.33Å; C1161-S1174 CarbonylContact C-O 3.59Å; C1161-S1174 WeakPolarHBondContact CA-O 3.38Å; C1161-S1174 WeakPolarHBondContact CB-O 3.43Å; L1162-S1174 PolarHBondContact N-O 3.34Å; L1162-S1174 PolarHBondContact O-N 2.63Å |
| 1175 | Y | 87 | Confident | 84.5 | Confident | 12 Ų | 12 | 40.1 Ų | 40.1 | 5% | 0.047 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 164.9 | 174.8 | 66.1 | -86.8 | 0 | 0 | 0 | 110.2 | G1118 A1130 F1132 V1151 P1177 V1185 | G1118-Y1175 WeakPolarHBondContact O-CE1 3.39Å; G1118-Y1175 PolarHBondContact O-OH 2.96Å; A1130-Y1175 HydrophobicContact CB-CD1 4.25Å; A1130-Y1175 HydrophobicContact CB-CD2 4.18Å; A1130-Y1175 HydrophobicContact CB-CE1 3.91Å; A1130-Y1175 HydrophobicContact CB-CE2 3.84Å; A1130-Y1175 HydrophobicContact CB-CG 4.38Å; A1130-Y1175 WeakPolarHBondContact CB-O 3.35Å; A1130-Y1175 PolarHBondContact N-O 3.46Å; A1130-Y1175 WeakPolarHBondContact O-CD1 3.35Å; A1130-Y1175 PolarHBondContact O-N 3.1Å; F1132-Y1175 HydrophobicContact CD1-CD1 4.41Å; F1132-Y1175 HydrophobicContact CD1-CE1 4.13Å; F1132-Y1175 HydrophobicContact CE1-CD1 4.08Å; F1132-Y1175 HydrophobicContact CE1-CE1 4.01Å; V1151-Y1175 HydrophobicContact CG1-CD2 4.31Å; V1151-Y1175 HydrophobicContact CG1-CE2 4.29Å; V1151-Y1175 HydrophobicContact CG2-CD1 3.75Å; V1151-Y1175 HydrophobicContact CG2-CD2 3.65Å; V1151-Y1175 HydrophobicContact CG2-CE1 4.2Å; V1151-Y1175 HydrophobicContact CG2-CE2 4.11Å; V1151-Y1175 HydrophobicContact CG2-CG 3.44Å; V1151-Y1175 VanDerWaalsContact CG2-CG 3.44Å; Y1175-P1177 HydrophobicContact CD2-CB 4.31Å; Y1175-P1177 HydrophobicContact CD2-CG 4.38Å; Y1175-P1177 HydrophobicContact CE2-CB 4.03Å; Y1175-P1177 HydrophobicContact CE2-CG 3.99Å; Y1175-V1185 HydrophobicContact CE1-CG2 4.16Å |
| 1176 | S | 83.9 | Confident | 84.8 | Confident | 49 Ų | 49 | 39.4 Ų | 39.4 | 34% | 0.343 | 22% | 0.223 | S | C | . | . | trans | -119.1 | 119.6 | 165.1 | -62.9 | 0 | 0 | 0 | 0 | 108.6 | I1178 | S1176-I1178 PolarHBondContact O-N 2.88Š| ||
| 1177 | P | 78.2 | Confident | 85.3 | Confident | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.019 | 21% | 0.206 | C | C | . | . | trans | -79.3 | 118.5 | 178.2 | 29.2 | -27.5 | 0 | 0 | 0 | 110.2 | V1124 E1127 S1128 Y1175 V1203 | V1124-P1177 HydrophobicContact CG1-CG 3.78Å; E1127-P1177 PolarHBondContact N-O 2.88Å; S1128-P1177 VanDerWaalsContact O-CD 3.23Å; S1128-P1177 WeakPolarHBondContact O-CD 3.16Å; Y1175-P1177 HydrophobicContact CD2-CB 4.31Å; Y1175-P1177 HydrophobicContact CD2-CG 4.38Å; Y1175-P1177 HydrophobicContact CE2-CB 4.03Å; Y1175-P1177 HydrophobicContact CE2-CG 3.99Å; P1177-V1203 HydrophobicContact CB-CB 4.4Å; P1177-V1203 HydrophobicContact CB-CG1 3.97Å; P1177-V1203 HydrophobicContact CB-CG2 3.68Å; P1177-V1203 HydrophobicContact CG-CB 4.38Å; P1177-V1203 HydrophobicContact CG-CG1 3.69Å; P1177-V1203 HydrophobicContact CG-CG2 3.71Å | ||
| 1178 | I | 78.6 | Confident | 85.8 | Confident | 119 Ų | 119 | 35.2 Ų | 35.2 | 61% | 0.61 | 19% | 0.189 | S | C | * | . | trans | -82.6 | -28 | -177.5 | -55.1 | 173.1 | 0 | 0 | 0 | 111 | K1126 S1176 | K1126-I1178 WeakPolarHBondContact CE-O 3.25Å; S1176-I1178 PolarHBondContact O-N 2.88Å | ||
| 1179 | D | 78.7 | Confident | 85.9 | Confident | 44 Ų | 44 | 32.1 Ų | 32.1 | 24% | 0.235 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -91.4 | 161.1 | 176.2 | -65.3 | -64.1 | 0 | 0 | 0 | 111.8 | S1153 N1155 H1183 V1203 | S1153-D1179 WeakPolarHBondContact CB-OD2 3.49Å; S1153-D1179 PolarHBondContact OG-OD2 2.82Å; S1153-D1179 VanDerWaalsContact OG-OD2 3.1Å; N1155-D1179 PolarHBondContact ND2-OD1 3.05Å; N1155-D1179 VanDerWaalsContact ND2-OD1 3.11Å; N1155-D1179 PolarHBondContact ND2-OD2 3.17Å; D1179-H1183 PolarHBondContact O-CE1 3.42Å; D1179-V1203 WeakPolarHBondContact O-CG1 3.44Å |
| 1180 | D | 79.8 | Confident | 85.9 | Confident | 83 Ų | 83 | 33.5 Ų | 33.5 | 44% | 0.444 | 18% | 0.18 | S | C | . | . | trans | -102.3 | 151.4 | 164.4 | 50 | -77.7 | 0 | 0 | 0 | 111.7 | K1126 | K1126-D1180 HydrophobicContact CD-CB 4.28Å; K1126-D1180 WeakPolarHBondContact CE-OD1 3.44Å; K1126-D1180 IonicContact NZ-OD1 3.09Å; K1126-D1180 PolarHBondContact NZ-OD1 2.7Å | ||
| 1181 | G | 81.7 | Confident | 85.1 | Confident | 21 Ų | 21 | 35 Ų | 35 | 22% | 0.216 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 104.4 | -165.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115 | H1183 V1203 | G1181-H1183 PolarHBondContact O-N 3.46Å; G1181-H1183 PolarHBondContact O-ND1 2.93Å; G1181-V1203 PolarHBondContact N-O 2.85Å; G1181-V1203 PolarHBondContact O-N 2.89Å |
| 1182 | L | 87.8 | Confident | 84.3 | Confident | 85 Ų | 85 | 35.7 Ų | 35.7 | 45% | 0.445 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 102.9 | -169.9 | -176.8 | 63.7 | 0 | 0 | 0 | 113.2 | P1154 P1200 | P1154-L1182 WeakPolarHBondContact CG-O 3.24Å; L1182-P1200 HydrophobicContact CD1-CB 3.85Å |
| 1183 | H | 89.2 | Confident | 83.9 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 157.3 | 169.7 | -65.4 | 59.3 | 0 | 0 | 0 | 110.9 | V1151 V1152 S1153 P1154 D1179 G1181 P1200 V1201 V1203 | V1151-H1183 HydrophobicContact CG1-CB 4.25Å; V1152-H1183 CarbonylContact O-C 3.53Å; V1152-H1183 WeakPolarHBondContact O-CA 3Å; S1153-H1183 WeakPolarHBondContact CB-NE2 3.48Å; P1154-H1183 VanDerWaalsContact CD-CE1 3.49Å; P1154-H1183 WeakPolarHBondContact CD-CE1 3.46Å; D1179-H1183 PolarHBondContact O-CE1 3.42Å; G1181-H1183 PolarHBondContact O-N 3.46Å; G1181-H1183 PolarHBondContact O-ND1 2.93Å; H1183-P1200 WeakPolarHBondContact O-CA 3.35Å; H1183-V1201 PolarHBondContact N-O 2.83Å; H1183-V1201 PolarHBondContact O-N 2.83Å; H1183-V1203 WeakPolarHBondContact ND1-CG2 3.32Å |
| 1184 | H | 91.6 | Very high | 83.9 | Confident | 78 Ų | 78 | 36.8 Ų | 36.8 | 36% | 0.361 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 111.9 | 172.6 | -79.4 | -66 | 0 | 0 | 0 | 110.1 | V1152 E1186 P1198 F1199 | V1152-H1184 HydrophobicContact CB-CB 4.24Å; V1152-H1184 WeakPolarHBondContact CB-O 3.36Å; V1152-H1184 PolarHBondContact N-O 2.87Å; V1152-H1184 PolarHBondContact O-N 3.05Å; H1184-E1186 PolarHBondContact O-N 2.86Å; H1184-P1198 HydrophobicContact CB-CB 4.18Å; H1184-F1199 CarbonylContact C-O 3.57Å; H1184-F1199 WeakPolarHBondContact CA-O 3.19Å |
| 1185 | V | 91.5 | Very high | 83.7 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 101.8 | 176.7 | -168 | 0 | 0 | 0 | 0 | 109.2 | L1119 F1132 V1151 Y1175 V1187 P1198 F1199 V1201 | L1119-V1185 HydrophobicContact CD2-CB 3.82Å; L1119-V1185 HydrophobicContact CD2-CG1 3.87Å; L1119-V1185 HydrophobicContact CD2-CG2 4.15Å; F1132-V1185 HydrophobicContact CE1-CG1 3.86Å; F1132-V1185 HydrophobicContact CZ-CG1 3.81Å; V1151-V1185 HydrophobicContact CG2-CG1 4.49Å; V1151-V1185 HydrophobicContact CG2-CG2 4.45Å; Y1175-V1185 HydrophobicContact CE1-CG2 4.16Å; V1185-V1187 HydrophobicContact CG1-CG2 3.86Å; V1185-P1198 CarbonylContact O-C 3.56Å; V1185-P1198 WeakPolarHBondContact O-CA 3.29Å; V1185-F1199 HydrophobicContact CB-CB 4.41Å; V1185-F1199 PolarHBondContact N-O 2.7Å; V1185-F1199 PolarHBondContact O-N 2.56Å; V1185-V1201 HydrophobicContact CG2-CG2 4.03Å |
| 1186 | E | 91.6 | Very high | 83.4 | Confident | 60 Ų | 60 | 41.3 Ų | 41.3 | 28% | 0.28 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 125.3 | 169.7 | -73.9 | 175.6 | -150.7 | 0 | 0 | 109.5 | A1149 I1150 V1152 R1158 H1184 P1198 | A1149-E1186 CarbonylContact C-O 3.55Å; A1149-E1186 VanDerWaalsContact CA-O 3.22Å; A1149-E1186 WeakPolarHBondContact CA-O 3.37Å; I1150-E1186 HydrophobicContact CB-CB 4.43Å; I1150-E1186 PolarHBondContact N-O 2.93Å; I1150-E1186 PolarHBondContact O-N 2.88Å; V1152-E1186 HydrophobicContact CG2-CG 4.34Å; R1158-E1186 IonicContact CZ-OE1 2.76Å; R1158-E1186 IonicContact CZ-OE2 3.28Å; R1158-E1186 IonicContact NH1-OE1 3.63Å; R1158-E1186 PolarHBondContact NH1-OE1 3.04Å; R1158-E1186 IonicContact NH1-OE2 2.77Å; R1158-E1186 PolarHBondContact NH1-OE2 3.4Å; R1158-E1186 IonicContact NH2-OE1 3.75Å; R1158-E1186 IonicContact NH2-OE2 3.16Å; R1158-E1186 PolarHBondContact NH2-OE2 2.8Å; H1184-E1186 PolarHBondContact O-N 2.86Å; E1186-P1198 HydrophobicContact CG-CB 3.85Å |
| 1187 | V | 91.4 | Very high | 83.7 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 128.8 | -179.6 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | F1132 V1134 A1149 V1185 P1193 V1194 S1197 F1199 | F1132-V1187 HydrophobicContact CE2-CG1 4.46Å; F1132-V1187 HydrophobicContact CE2-CG2 3.82Å; F1132-V1187 HydrophobicContact CZ-CG2 3.83Å; V1134-V1187 HydrophobicContact CG2-CG1 3.64Å; A1149-V1187 HydrophobicContact CB-CG2 4.12Å; V1185-V1187 HydrophobicContact CG1-CG2 3.86Å; V1187-P1193 WeakPolarHBondContact O-CA 3.32Å; V1187-V1194 HydrophobicContact CB-CG2 3.76Å; V1187-V1194 HydrophobicContact CG1-CG1 4.23Å; V1187-V1194 HydrophobicContact CG1-CG2 3.72Å; V1187-V1194 PolarHBondContact O-N 2.98Å; V1187-S1197 PolarHBondContact N-OG 2.94Å; V1187-S1197 WeakPolarHBondContact O-CB 3.31Å; V1187-S1197 PolarHBondContact O-OG 3.26Å; V1187-F1199 HydrophobicContact CB-CE2 4.21Å; V1187-F1199 HydrophobicContact CG2-CD2 4.07Å; V1187-F1199 HydrophobicContact CG2-CE2 4.07Å |
| 1188 | T | 86.6 | Confident | 84.2 | Confident | 31 Ų | 31 | 43.3 Ų | 43.3 | 19% | 0.19 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 152.4 | -178.6 | 66.9 | 0 | 0 | 0 | 0 | 111.5 | V1147 K1148 A1192 P1193 | V1147-T1188 VanDerWaalsContact CA-O 3.31Å; V1147-T1188 WeakPolarHBondContact CA-O 3.26Å; K1148-T1188 PolarHBondContact N-O 2.85Å; K1148-T1188 PolarHBondContact O-N 3.1Å; K1148-T1188 PolarHBondContact O-OG1 2.88Å; T1188-A1192 CarbonylContact C-O 3.49Å; T1188-A1192 WeakPolarHBondContact CA-O 3.35Å; T1188-A1192 WeakPolarHBondContact CB-O 3.48Å; T1188-P1193 HydrophobicContact CG2-CB 4.49Å |
| 1189 | Y | 86.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 124.9 | 177.6 | -175.6 | -77.7 | 0 | 0 | 0 | 109 | I1107 V1109 V1112 A1136 D1140 G1145 V1147 Y1171 G1191 A1192 | I1107-Y1189 HydrophobicContact CG2-CE1 4.24Å; V1109-Y1189 HydrophobicContact CG1-CD1 3.78Å; V1109-Y1189 HydrophobicContact CG1-CG 4.22Å; V1112-Y1189 HydrophobicContact CG1-CD2 4.13Å; V1112-Y1189 HydrophobicContact CG1-CG 4.41Å; V1112-Y1189 HydrophobicContact CG2-CD1 4.37Å; V1112-Y1189 HydrophobicContact CG2-CD2 4.25Å; V1112-Y1189 HydrophobicContact CG2-CG 4.12Å; A1136-Y1189 HydrophobicContact CB-CD2 4Å; A1136-Y1189 HydrophobicContact CB-CE2 3.31Å; D1140-Y1189 WeakPolarHBondContact CB-OH 3.5Å; D1140-Y1189 PolarHBondContact OD2-OH 2.82Å; G1145-Y1189 VanDerWaalsContact CA-OH 3.28Å; G1145-Y1189 WeakPolarHBondContact CA-OH 3.37Å; V1147-Y1189 HydrophobicContact CG2-CD2 3.76Å; V1147-Y1189 HydrophobicContact CG2-CE2 4.3Å; Y1171-Y1189 AromaticContact CE2-CE2 3.75Å; Y1171-Y1189 HydrophobicContact CE2-CE2 3.75Å; Y1189-G1191 PolarHBondContact O-N 3.2Å; Y1189-G1191 VanDerWaalsContact O-N 3.07Å; Y1189-A1192 PolarHBondContact N-O 3.03Å; Y1189-A1192 PolarHBondContact O-N 2.91Å |
| 1190 | D | 78.5 | Confident | 85.4 | Confident | 29 Ų | 29 | 39.8 Ų | 39.8 | 16% | 0.155 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 45.4 | 36 | -169.9 | -82.7 | 1.1 | 0 | 0 | 0 | 112.9 | R1104 G1145 I1146 | R1104-D1190 WeakPolarHBondContact CD-OD2 3.45Å; R1104-D1190 IonicContact CZ-OD2 2.72Å; R1104-D1190 IonicContact NE-OD2 3.61Å; R1104-D1190 IonicContact NH1-OD1 3.37Å; R1104-D1190 PolarHBondContact NH1-OD1 3.38Å; R1104-D1190 VanDerWaalsContact NH1-OD1 3.08Å; R1104-D1190 IonicContact NH1-OD2 2.87Å; R1104-D1190 PolarHBondContact NH1-OD2 3.08Å; G1145-D1190 WeakPolarHBondContact CA-OD1 3.4Å; I1146-D1190 PolarHBondContact N-OD1 3.18Å; I1146-D1190 PolarHBondContact O-N 3.32Å |
| 1191 | G | 70.2 | Confident | 85.9 | Confident | 40 Ų | 40 | 35.8 Ų | 35.8 | 41% | 0.412 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 1.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y1189 | Y1189-G1191 PolarHBondContact O-N 3.2Å; Y1189-G1191 VanDerWaalsContact O-N 3.07Å |
| 1192 | A | 73.7 | Confident | 86.1 | Confident | 18 Ų | 18 | 38.1 Ų | 38.1 | 15% | 0.149 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 138.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1109 T1188 Y1189 | V1109-A1192 HydrophobicContact CG1-CB 4.36Å; V1109-A1192 HydrophobicContact CG2-CB 3.9Å; T1188-A1192 CarbonylContact C-O 3.49Å; T1188-A1192 WeakPolarHBondContact CA-O 3.35Å; T1188-A1192 WeakPolarHBondContact CB-O 3.48Å; Y1189-A1192 PolarHBondContact N-O 3.03Å; Y1189-A1192 PolarHBondContact O-N 2.91Å |
| 1193 | P | 81.2 | Confident | 85.9 | Confident | 83 Ų | 83 | 34.1 Ų | 34.1 | 54% | 0.539 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 137.3 | 179.8 | 26.9 | -34.3 | 0 | 0 | 0 | 111.8 | V1187 T1188 | V1187-P1193 WeakPolarHBondContact O-CA 3.32Å; T1188-P1193 HydrophobicContact CG2-CB 4.49Å |
| 1194 | V | 87.9 | Confident | 85.4 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.024 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -78 | 153.6 | 177 | -53.3 | 0 | 0 | 0 | 0 | 110.9 | V1112 A1114 V1187 G1196 S1197 F1199 | V1112-V1194 HydrophobicContact CB-CG1 4.3Å; V1112-V1194 HydrophobicContact CG1-CB 4.43Å; V1112-V1194 HydrophobicContact CG1-CG1 3.77Å; A1114-V1194 HydrophobicContact CB-CG2 4.08Å; V1187-V1194 HydrophobicContact CB-CG2 3.76Å; V1187-V1194 HydrophobicContact CG1-CG1 4.23Å; V1187-V1194 HydrophobicContact CG1-CG2 3.72Å; V1187-V1194 PolarHBondContact O-N 2.98Å; V1194-G1196 PolarHBondContact O-N 3.24Å; V1194-S1197 WeakPolarHBondContact O-CB 3.41Å; V1194-S1197 PolarHBondContact O-N 3.39Å; V1194-F1199 HydrophobicContact CG2-CE2 4.01Å; V1194-F1199 HydrophobicContact CG2-CZ 4.28Å |
| 1195 | P | 81.7 | Confident | 84.2 | Confident | 64 Ų | 64 | 36.3 Ų | 36.3 | 42% | 0.416 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.2 | 121.9 | 171.8 | -28.8 | 34.2 | 0 | 0 | 0 | 112.8 | V1109 V1112 F1199 | V1109-P1195 WeakPolarHBondContact O-CD 3.25Å; V1112-P1195 WeakPolarHBondContact O-CD 3.2Å; P1195-F1199 WeakPolarHBondContact O-CZ 3.44Å |
| 1196 | G | 81.5 | Confident | 83.1 | Confident | 54 Ų | 54 | 37.9 Ų | 37.9 | 56% | 0.557 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.5 | -15.6 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | V1194 P1198 | V1194-G1196 PolarHBondContact O-N 3.24Å; G1196-P1198 CarbonylContact O-C 3.57Å |
| 1197 | S | 89.1 | Confident | 82.2 | Confident | 26 Ų | 26 | 37 Ų | 37 | 18% | 0.182 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 137.2 | 175.8 | 172.1 | 0 | 0 | 0 | 0 | 112.3 | V1187 V1194 | V1187-S1197 PolarHBondContact N-OG 2.94Å; V1187-S1197 WeakPolarHBondContact O-CB 3.31Å; V1187-S1197 PolarHBondContact O-OG 3.26Å; V1194-S1197 WeakPolarHBondContact O-CB 3.41Å; V1194-S1197 PolarHBondContact O-N 3.39Å |
| 1198 | P | 88.8 | Confident | 81.4 | Confident | 68 Ų | 68 | 38.9 Ų | 38.9 | 44% | 0.442 | 27% | 0.27 | S | S | . | . | S | Bend | cis | -79.4 | 133.5 | -3.2 | 29.6 | -33.2 | 0 | 0 | 0 | 113.3 | H1184 V1185 E1186 G1196 | H1184-P1198 HydrophobicContact CB-CB 4.18Å; V1185-P1198 CarbonylContact O-C 3.56Å; V1185-P1198 WeakPolarHBondContact O-CA 3.29Å; E1186-P1198 HydrophobicContact CG-CB 3.85Å; G1196-P1198 CarbonylContact O-C 3.57Å |
| 1199 | F | 92.2 | Very high | 80.9 | Confident | 28 Ų | 28 | 38.2 Ų | 38.2 | 12% | 0.123 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 124.3 | -178.7 | -62.7 | -90.2 | 0 | 0 | 0 | 111.2 | A1114 L1119 H1184 V1185 V1187 V1194 P1195 | A1114-F1199 HydrophobicContact CB-CE2 3.92Å; A1114-F1199 HydrophobicContact CB-CZ 3.78Å; L1119-F1199 HydrophobicContact CB-CB 4.47Å; L1119-F1199 HydrophobicContact CB-CD1 4.45Å; L1119-F1199 HydrophobicContact CB-CG 4.43Å; L1119-F1199 HydrophobicContact CD1-CD1 4.46Å; L1119-F1199 HydrophobicContact CD1-CD2 4.25Å; L1119-F1199 HydrophobicContact CD1-CE1 4.47Å; L1119-F1199 HydrophobicContact CD1-CE2 4.27Å; L1119-F1199 HydrophobicContact CD1-CG 4.36Å; L1119-F1199 HydrophobicContact CD1-CZ 4.39Å; L1119-F1199 HydrophobicContact CD2-CB 3.86Å; L1119-F1199 HydrophobicContact CD2-CD2 3.82Å; L1119-F1199 HydrophobicContact CD2-CG 3.86Å; L1119-F1199 HydrophobicContact CG-CG 4.44Å; H1184-F1199 CarbonylContact C-O 3.57Å; H1184-F1199 WeakPolarHBondContact CA-O 3.19Å; V1185-F1199 HydrophobicContact CB-CB 4.41Å; V1185-F1199 PolarHBondContact N-O 2.7Å; V1185-F1199 PolarHBondContact O-N 2.56Å; V1187-F1199 HydrophobicContact CB-CE2 4.21Å; V1187-F1199 HydrophobicContact CG2-CD2 4.07Å; V1187-F1199 HydrophobicContact CG2-CE2 4.07Å; V1194-F1199 HydrophobicContact CG2-CE2 4.01Å; V1194-F1199 HydrophobicContact CG2-CZ 4.28Å; P1195-F1199 WeakPolarHBondContact O-CZ 3.44Å |
| 1200 | P | 90.3 | Very high | 80.4 | Confident | 61 Ų | 61 | 43 Ų | 43 | 40% | 0.396 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 126 | 175.2 | 29.6 | -31.8 | 0 | 0 | 0 | 111.5 | P1121 L1182 H1183 | P1121-P1200 WeakPolarHBondContact CA-O 3.49Å; L1182-P1200 HydrophobicContact CD1-CB 3.85Å; H1183-P1200 WeakPolarHBondContact O-CA 3.35Å |
| 1201 | V | 89.9 | Confident | 80.5 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 114.5 | -179.5 | 176.6 | 0 | 0 | 0 | 0 | 109.4 | V1124 H1183 V1185 V1203 | V1124-V1201 HydrophobicContact CB-CG1 4.03Å; V1124-V1201 HydrophobicContact CG2-CG1 3.74Å; H1183-V1201 PolarHBondContact N-O 2.83Å; H1183-V1201 PolarHBondContact O-N 2.83Å; V1185-V1201 HydrophobicContact CG2-CG2 4.03Å; V1201-V1203 HydrophobicContact CG1-CG2 4.23Å |
| 1202 | N | 86.7 | Confident | 81.2 | Confident | 69 Ų | 69 | 43.8 Ų | 43.8 | 37% | 0.369 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 109.5 | 176.4 | -172 | 82.8 | 0 | 0 | 0 | 111.2 | P1121 | P1121-N1202 WeakPolarHBondContact O-CB 3.45Å; P1121-N1202 PolarHBondContact O-N 2.83Å |
| 1203 | V | 84.4 | Confident | 81.8 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 140.1 | 180 | -178.1 | 0 | 0 | 0 | 0 | 110 | V1124 K1126 P1177 D1179 G1181 H1183 V1201 | V1124-V1203 HydrophobicContact CB-CG2 4.43Å; V1124-V1203 HydrophobicContact CG1-CG2 4.18Å; V1124-V1203 WeakPolarHBondContact O-CA 3.49Å; K1126-V1203 HydrophobicContact CB-CG1 4.31Å; P1177-V1203 HydrophobicContact CB-CB 4.4Å; P1177-V1203 HydrophobicContact CB-CG1 3.97Å; P1177-V1203 HydrophobicContact CB-CG2 3.68Å; P1177-V1203 HydrophobicContact CG-CB 4.38Å; P1177-V1203 HydrophobicContact CG-CG1 3.69Å; P1177-V1203 HydrophobicContact CG-CG2 3.71Å; D1179-V1203 WeakPolarHBondContact O-CG1 3.44Å; G1181-V1203 PolarHBondContact N-O 2.85Å; G1181-V1203 PolarHBondContact O-N 2.89Å; H1183-V1203 WeakPolarHBondContact ND1-CG2 3.32Å; V1201-V1203 HydrophobicContact CG1-CG2 4.23Å |
| 1204 | A | 77.4 | Confident | 82.1 | Confident | 37 Ų | 37 | 47.8 Ų | 47.8 | 31% | 0.306 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 148.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1124 F1125 K1126 | V1124-A1204 PolarHBondContact O-N 3.4Å; V1124-A1204 VanDerWaalsContact O-N 3.17Å; F1125-A1204 CarbonylContact C-O 3.47Å; F1125-A1204 WeakPolarHBondContact CA-O 3.46Å; F1125-A1204 WeakPolarHBondContact CD1-O 3.47Å; K1126-A1204 PolarHBondContact N-O 3.22Å |
| 1205 | P | 66.6 | Low | 82.1 | Confident | 88 Ų | 88 | 53 Ų | 53 | 57% | 0.571 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -69.4 | 143.2 | 169 | 30.2 | -34.4 | 0 | 0 | 0 | 111.1 | ||
| 1206 | G | 68.9 | Low | 82.3 | Confident | 33 Ų | 33 | 50.8 Ų | 50.8 | 34% | 0.34 | 30% | 0.297 | S | S | . | . | trans | 150 | 179.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | G1238 Q1239 | G1206-G1238 VanDerWaalsContact O-CA 3.29Å; G1206-G1238 WeakPolarHBondContact O-CA 3.16Å; G1206-Q1239 PolarHBondContact O-N 2.84Å | ||
| 1207 | C | 72.8 | Confident | 82.2 | Confident | 42 Ų | 42 | 52.3 Ų | 52.3 | 28% | 0.284 | 30% | 0.297 | S | S | . | . | B | Isolated β-bridge | trans | -139.1 | 150 | 171.4 | 66.2 | 0 | 0 | 0 | 0 | 111.5 | A1237 Q1239 F1282 | C1207-A1237 CarbonylContact C-O 3.5Å; C1207-A1237 VanDerWaalsContact CA-O 3.29Å; C1207-A1237 WeakPolarHBondContact CA-O 3.38Å; C1207-Q1239 WeakPolarHBondContact CB-O 3.5Å; C1207-F1282 HydrophobicContact CB-CE1 4.15Å |
| 1208 | D | 74.5 | Confident | 82.1 | Confident | 39 Ų | 39 | 51 Ų | 51 | 21% | 0.209 | 29% | 0.288 | C | S | . | . | trans | -136.6 | 88.5 | 177.2 | -177.1 | -3.7 | 0 | 0 | 0 | 109.5 | F1125 T1210 R1211 A1237 | F1125-D1208 HydrophobicContact CE2-CB 3.86Å; F1125-D1208 HydrophobicContact CZ-CB 4.21Å; D1208-T1210 PolarHBondContact O-N 3.49Å; D1208-T1210 WeakPolarHBondContact OD1-CB 3.31Å; D1208-T1210 PolarHBondContact OD1-N 2.93Å; D1208-T1210 VanDerWaalsContact OD1-N 3.12Å; D1208-T1210 PolarHBondContact OD1-OG1 3.31Å; D1208-R1211 HydrophobicContact CB-CG 4.18Å; D1208-R1211 PolarHBondContact O-N 3.5Å; D1208-R1211 VanDerWaalsContact O-N 3.07Å; D1208-R1211 WeakPolarHBondContact OD2-CD 3.41Å; D1208-R1211 WeakPolarHBondContact OD2-CG 3.26Å; D1208-R1211 IonicContact OD2-CZ 3.46Å; D1208-R1211 IonicContact OD2-NE 2.72Å; D1208-R1211 PolarHBondContact OD2-NE 2.89Å; D1208-R1211 IonicContact OD2-NH2 3.15Å; D1208-A1237 PolarHBondContact N-O 3.14Å | ||
| 1209 | P | 75.7 | Confident | 82.1 | Confident | 17 Ų | 17 | 48.7 Ų | 48.7 | 11% | 0.11 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -56.8 | -18.2 | 178.3 | -25.7 | 34.3 | 0 | 0 | 0 | 114.3 | R1211 V1212 F1282 M1285 P1288 | P1209-R1211 PolarHBondContact O-N 2.65Å; P1209-V1212 PolarHBondContact O-N 3.15Å; P1209-F1282 HydrophobicContact CB-CB 4.24Å; P1209-F1282 HydrophobicContact CG-CD1 4.4Å; P1209-M1285 HydrophobicContact CB-CB 4.37Å; P1209-M1285 HydrophobicContact CG-CB 4.11Å; P1209-M1285 HydrophobicContact CG-CE 3.74Å; P1209-M1285 HydrophobicContact CG-SD 4.22Å; P1209-P1288 VanDerWaalsContact O-CD 3.28Å; P1209-P1288 WeakPolarHBondContact O-CD 3.42Å |
| 1210 | T | 77.4 | Confident | 81.7 | Confident | 102 Ų | 102 | 54.7 Ų | 54.7 | 63% | 0.626 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -73.1 | -10.4 | 179.1 | 75.2 | 0 | 0 | 0 | 0 | 113.2 | D1208 | D1208-T1210 PolarHBondContact O-N 3.49Å; D1208-T1210 WeakPolarHBondContact OD1-CB 3.31Å; D1208-T1210 PolarHBondContact OD1-N 2.93Å; D1208-T1210 VanDerWaalsContact OD1-N 3.12Å; D1208-T1210 PolarHBondContact OD1-OG1 3.31Å |
| 1211 | R | 79.9 | Confident | 81 | Confident | 83 Ų | 83 | 52.8 Ų | 52.8 | 31% | 0.313 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -93.7 | -21.8 | 176.4 | -62.3 | 175.5 | -175.5 | -155.3 | -3.3 | 113.7 | G1123 D1208 P1209 R1213 G1236 A1237 | G1123-R1211 PolarHBondContact O-NH1 2.74Å; D1208-R1211 HydrophobicContact CB-CG 4.18Å; D1208-R1211 PolarHBondContact O-N 3.5Å; D1208-R1211 VanDerWaalsContact O-N 3.07Å; D1208-R1211 WeakPolarHBondContact OD2-CD 3.41Å; D1208-R1211 WeakPolarHBondContact OD2-CG 3.26Å; D1208-R1211 IonicContact OD2-CZ 3.46Å; D1208-R1211 IonicContact OD2-NE 2.72Å; D1208-R1211 PolarHBondContact OD2-NE 2.89Å; D1208-R1211 IonicContact OD2-NH2 3.15Å; P1209-R1211 PolarHBondContact O-N 2.65Å; R1211-R1213 PolarHBondContact O-N 3.32Å; R1211-G1236 WeakPolarHBondContact CD-O 3.22Å; R1211-G1236 PolarHBondContact NH1-O 3.49Å; R1211-A1237 HydrophobicContact CB-CB 4.26Å |
| 1212 | V | 84.2 | Confident | 80.6 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | trans | -64.7 | 132.2 | 174.7 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | P1209 V1232 D1233 L1234 A1237 F1282 I1287 | P1209-V1212 PolarHBondContact O-N 3.15Å; V1212-V1232 HydrophobicContact CG1-CG1 3.43Å; V1212-V1232 VanDerWaalsContact CG1-CG1 3.43Å; V1212-D1233 WeakPolarHBondContact CA-O 3.49Å; V1212-L1234 HydrophobicContact CB-CD2 4.47Å; V1212-L1234 HydrophobicContact CG1-CD2 3.75Å; V1212-L1234 HydrophobicContact CG2-CD2 3.89Å; V1212-A1237 HydrophobicContact CG2-CB 3.45Å; V1212-A1237 VanDerWaalsContact CG2-CB 3.45Å; V1212-F1282 HydrophobicContact CG2-CB 3.93Å; V1212-F1282 HydrophobicContact CG2-CD1 3.95Å; V1212-F1282 HydrophobicContact CG2-CD2 4.13Å; V1212-F1282 HydrophobicContact CG2-CE1 4.5Å; V1212-F1282 HydrophobicContact CG2-CG 3.74Å; V1212-I1287 HydrophobicContact CB-CB 4.17Å; V1212-I1287 HydrophobicContact CB-CG2 3.71Å; V1212-I1287 HydrophobicContact CG1-CB 4.3Å; V1212-I1287 HydrophobicContact CG1-CD1 3.87Å; V1212-I1287 HydrophobicContact CG1-CG2 3.71Å; V1212-I1287 HydrophobicContact CG2-CG2 4.38Å | ||
| 1213 | R | 86.4 | Confident | 80.3 | Confident | 170 Ų | 170 | 54 Ų | 54 | 64% | 0.642 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 115.2 | -179.2 | -63.5 | 171.2 | -170 | 179.8 | 3.5 | 109.5 | R1211 Y1215 V1232 D1233 | R1211-R1213 PolarHBondContact O-N 3.32Å; R1213-Y1215 HydrophobicContact CB-CD1 4.25Å; R1213-V1232 CarbonylContact O-C 3.5Å; R1213-V1232 WeakPolarHBondContact O-CA 3.46Å; R1213-D1233 PolarHBondContact N-O 2.77Å; R1213-D1233 PolarHBondContact O-N 2.84Å |
| 1214 | A | 88.9 | Confident | 80.1 | Confident | 15 Ų | 15 | 54.2 Ų | 54.2 | 12% | 0.124 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 132.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | L1219 F1230 T1231 V1232 V1280 I1287 F1292 | A1214-L1219 HydrophobicContact CB-CD1 3.5Å; A1214-L1219 VanDerWaalsContact CB-CD1 3.5Å; A1214-F1230 HydrophobicContact CB-CD2 4.19Å; A1214-F1230 HydrophobicContact CB-CE2 4.32Å; A1214-T1231 CarbonylContact C-O 3.58Å; A1214-T1231 WeakPolarHBondContact CA-O 3.5Å; A1214-V1232 HydrophobicContact CB-CG2 4.03Å; A1214-V1280 HydrophobicContact CB-CG2 4.15Å; A1214-I1287 HydrophobicContact CB-CD1 3.71Å; A1214-F1292 HydrophobicContact CB-CE2 3.88Å; A1214-F1292 HydrophobicContact CB-CZ 3.84Å |
| 1215 | Y | 87.7 | Confident | 80.1 | Confident | 115 Ų | 115 | 57.6 Ų | 57.6 | 45% | 0.451 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 156 | 179.5 | 57.5 | -97.5 | 0 | 0 | 0 | 111.5 | R1213 T1231 D1233 | R1213-Y1215 HydrophobicContact CB-CD1 4.25Å; Y1215-T1231 HydrophobicContact CE2-CG2 4.42Å; Y1215-T1231 PolarHBondContact N-O 2.85Å; Y1215-T1231 PolarHBondContact O-N 3.14Å; Y1215-D1233 HydrophobicContact CE1-CB 3.7Å |
| 1216 | G | 84.6 | Confident | 80.8 | Confident | 17 Ų | 17 | 57.7 Ų | 57.7 | 18% | 0.175 | 30% | 0.301 | C | S | . | . | S | Bend | trans | 129.1 | 164.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G1218 L1219 | G1216-G1218 PolarHBondContact O-N 3Å; G1216-G1218 VanDerWaalsContact O-N 3.15Å; G1216-L1219 PolarHBondContact O-N 2.9Å |
| 1217 | P | 80.1 | Confident | 81.5 | Confident | 85 Ų | 85 | 60.4 Ų | 60.4 | 55% | 0.552 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -57.6 | -35.7 | -168.6 | 21.8 | -33.2 | 0 | 0 | 0 | 113.1 | L1219 E1220 G1221 R1229 | P1217-L1219 PolarHBondContact O-N 3.12Å; P1217-E1220 PolarHBondContact O-N 3.22Å; P1217-G1221 PolarHBondContact O-N 2.87Å; P1217-G1221 VanDerWaalsContact O-N 3.12Å; P1217-R1229 WeakPolarHBondContact CD-O 3.48Å |
| 1218 | G | 86.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -64.9 | -1.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | G1216 R1229 Y1268 | G1216-G1218 PolarHBondContact O-N 3Å; G1216-G1218 VanDerWaalsContact O-N 3.15Å; G1218-R1229 WeakPolarHBondContact CA-O 3.49Å; G1218-R1229 PolarHBondContact N-O 3.16Å; G1218-Y1268 VanDerWaalsContact O-CE1 3.26Å; G1218-Y1268 WeakPolarHBondContact O-CE1 3.48Å; G1218-Y1268 PolarHBondContact O-OH 2.85Å |
| 1219 | L | 89.8 | Confident | 83.1 | Confident | 19 Ų | 19 | 62.1 Ų | 62.1 | 10% | 0.099 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -105.7 | -4.6 | 167.3 | -58.3 | 178.1 | 0 | 0 | 0 | 113.5 | A1214 G1216 P1217 F1230 I1278 F1292 | A1214-L1219 HydrophobicContact CB-CD1 3.5Å; A1214-L1219 VanDerWaalsContact CB-CD1 3.5Å; G1216-L1219 PolarHBondContact O-N 2.9Å; P1217-L1219 PolarHBondContact O-N 3.12Å; L1219-F1230 HydrophobicContact CD1-CB 4.04Å; L1219-F1230 HydrophobicContact CD1-CD2 3.93Å; L1219-F1230 HydrophobicContact CD1-CG 4.1Å; L1219-F1230 HydrophobicContact CD2-CB 4.19Å; L1219-F1230 HydrophobicContact CD2-CD1 3.74Å; L1219-F1230 HydrophobicContact CD2-CD2 3.88Å; L1219-F1230 HydrophobicContact CD2-CE1 3.96Å; L1219-F1230 HydrophobicContact CD2-CE2 4.08Å; L1219-F1230 HydrophobicContact CD2-CG 3.69Å; L1219-F1230 HydrophobicContact CD2-CZ 4.12Å; L1219-F1230 HydrophobicContact CG-CB 3.64Å; L1219-F1230 HydrophobicContact CG-CD1 4.15Å; L1219-F1230 HydrophobicContact CG-CD2 4.01Å; L1219-F1230 HydrophobicContact CG-CG 3.7Å; L1219-I1278 HydrophobicContact CD2-CB 4.5Å; L1219-I1278 HydrophobicContact CD2-CD1 4.23Å; L1219-I1278 HydrophobicContact CD2-CG2 4.37Å; L1219-F1292 HydrophobicContact CB-CD1 4.4Å; L1219-F1292 HydrophobicContact CD1-CD1 4.17Å; L1219-F1292 HydrophobicContact CD1-CD2 4.47Å; L1219-F1292 HydrophobicContact CD1-CE1 4.18Å; L1219-F1292 HydrophobicContact CD1-CE2 4.49Å; L1219-F1292 HydrophobicContact CD1-CG 4.34Å; L1219-F1292 HydrophobicContact CD1-CZ 4.36Å; L1219-F1292 HydrophobicContact CD2-CB 4Å; L1219-F1292 HydrophobicContact CD2-CD2 4.1Å; L1219-F1292 HydrophobicContact CD2-CG 3.97Å |
| 1220 | E | 82.2 | Confident | 83.9 | Confident | 153 Ų | 153 | 61.4 Ų | 61.4 | 72% | 0.715 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | -35.9 | -174.2 | -60 | -178.2 | -166.3 | 0 | 0 | 112 | P1217 | P1217-E1220 PolarHBondContact O-N 3.22Š|
| 1221 | G | 76.5 | Confident | 84.5 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 23% | 0.227 | 28% | 0.283 | C | S | . | . | trans | 172.7 | 178.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | P1217 | P1217-G1221 PolarHBondContact O-N 2.87Å; P1217-G1221 VanDerWaalsContact O-N 3.12Å | ||
| 1222 | G | 82.2 | Confident | 85 | Confident | 13 Ų | 13 | 53.7 Ų | 53.7 | 13% | 0.134 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.8 | -176.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q1228 I1296 R1297 | G1222-Q1228 VanDerWaalsContact CA-OE1 3.26Å; G1222-I1296 WeakPolarHBondContact O-CA 3.36Å; G1222-R1297 PolarHBondContact O-N 3.06Å |
| 1223 | F | 79.9 | Confident | 85.1 | Confident | 82 Ų | 82 | 55 Ų | 55 | 36% | 0.36 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 150.7 | 178.3 | -63 | -73.2 | 0 | 0 | 0 | 112.7 | E1226 Q1228 R1297 V1299 | F1223-E1226 HydrophobicContact CB-CB 4.47Å; F1223-E1226 HydrophobicContact CB-CG 4.42Å; F1223-E1226 WeakPolarHBondContact CD2-OE2 3.17Å; F1223-Q1228 PolarHBondContact O-NE2 2.83Å; F1223-Q1228 VanDerWaalsContact O-NE2 3.08Å; F1223-R1297 CarbonylContact C-O 3.58Å; F1223-R1297 WeakPolarHBondContact CA-O 3.41Å; F1223-R1297 HydrophobicContact CD1-CB 4.19Å; F1223-R1297 HydrophobicContact CE1-CB 4.32Å; F1223-V1299 HydrophobicContact CB-CG2 3.59Å; F1223-V1299 HydrophobicContact CD1-CG2 4.33Å; F1223-V1299 HydrophobicContact CG-CG2 4.03Å |
| 1224 | T | 79.2 | Confident | 84.9 | Confident | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 145.1 | 173.4 | 51.8 | 0 | 0 | 0 | 0 | 111.5 | E1226 P1270 A1273 I1296 R1297 D1298 | T1224-E1226 PolarHBondContact O-N 3.09Å; T1224-P1270 WeakPolarHBondContact CA-O 3.45Å; T1224-A1273 HydrophobicContact CG2-CB 4.11Å; T1224-I1296 HydrophobicContact CG2-CG2 3.8Å; T1224-R1297 PolarHBondContact N-O 2.68Å; T1224-D1298 WeakPolarHBondContact CB-OD1 3.49Å; T1224-D1298 WeakPolarHBondContact CG2-OD1 3.41Å; T1224-D1298 WeakPolarHBondContact OG1-CA 3.44Å; T1224-D1298 PolarHBondContact OG1-OD1 3.45Å |
| 1225 | H | 78.8 | Confident | 84.1 | Confident | 107 Ų | 107 | 49.9 Ų | 49.9 | 50% | 0.495 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 0.7 | -178.1 | -48.2 | -79.8 | 0 | 0 | 0 | 115.8 | L1269 P1270 | H1225-L1269 WeakPolarHBondContact O-CD1 3.4Å; H1225-P1270 PolarHBondContact N-O 2.79Å |
| 1226 | E | 81 | Confident | 83.1 | Confident | 90 Ų | 90 | 44.9 Ų | 44.9 | 42% | 0.421 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -101.3 | 136 | 167.3 | -66.6 | -174.7 | 167.7 | 0 | 0 | 110.2 | F1223 T1224 Q1228 V1299 | F1223-E1226 HydrophobicContact CB-CB 4.47Å; F1223-E1226 HydrophobicContact CB-CG 4.42Å; F1223-E1226 WeakPolarHBondContact CD2-OE2 3.17Å; T1224-E1226 PolarHBondContact O-N 3.09Å; E1226-Q1228 PolarHBondContact O-N 2.93Å; E1226-Q1228 PolarHBondContact O-NE2 3.31Å; E1226-V1299 HydrophobicContact CG-CG2 4.41Å |
| 1227 | P | 83.2 | Confident | 82.4 | Confident | 91 Ų | 91 | 44 Ų | 44 | 59% | 0.591 | 23% | 0.233 | S | C | * | . | trans | -70 | 128 | 177.3 | 29.1 | -33.5 | 0 | 0 | 0 | 110.9 | ||||
| 1228 | Q | 90 | Very high | 81.8 | Confident | 15 Ų | 15 | 40.5 Ų | 40.5 | 7% | 0.07 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 114.3 | -175.6 | -57.5 | -52.1 | -39.6 | 0 | 0 | 110.1 | G1222 F1223 E1226 D1267 Y1268 P1270 I1296 | G1222-Q1228 VanDerWaalsContact CA-OE1 3.26Å; F1223-Q1228 PolarHBondContact O-NE2 2.83Å; F1223-Q1228 VanDerWaalsContact O-NE2 3.08Å; E1226-Q1228 PolarHBondContact O-N 2.93Å; E1226-Q1228 PolarHBondContact O-NE2 3.31Å; Q1228-D1267 WeakPolarHBondContact O-CA 3.47Å; Q1228-Y1268 HydrophobicContact CB-CD1 4.02Å; Q1228-Y1268 HydrophobicContact CB-CD2 4.34Å; Q1228-Y1268 HydrophobicContact CB-CE1 3.55Å; Q1228-Y1268 HydrophobicContact CB-CE2 3.9Å; Q1228-Y1268 HydrophobicContact CB-CG 4.38Å; Q1228-Y1268 VanDerWaalsContact CB-CZ 3.47Å; Q1228-Y1268 HydrophobicContact CG-CE2 4.2Å; Q1228-Y1268 PolarHBondContact N-O 3.07Å; Q1228-Y1268 WeakPolarHBondContact O-CD1 3.29Å; Q1228-Y1268 WeakPolarHBondContact O-CE1 3.43Å; Q1228-Y1268 PolarHBondContact O-N 3.47Å; Q1228-P1270 HydrophobicContact CG-CG 3.88Å; Q1228-I1296 HydrophobicContact CG-CD1 4.01Å |
| 1229 | R | 90.8 | Very high | 80.9 | Confident | 101 Ų | 101 | 45.5 Ų | 45.5 | 38% | 0.381 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 133.8 | -171.1 | -175.4 | 164.9 | -81.1 | -158.8 | -11.7 | 112.9 | P1217 G1218 T1265 V1266 D1267 | P1217-R1229 WeakPolarHBondContact CD-O 3.48Å; G1218-R1229 WeakPolarHBondContact CA-O 3.49Å; G1218-R1229 PolarHBondContact N-O 3.16Å; R1229-T1265 HydrophobicContact CG-CG2 3.75Å; R1229-V1266 WeakPolarHBondContact CA-O 3.32Å; R1229-D1267 WeakPolarHBondContact CA-OD1 3.3Å; R1229-D1267 WeakPolarHBondContact CB-OD1 3.3Å; R1229-D1267 VanDerWaalsContact CG-OD1 3.28Å; R1229-D1267 WeakPolarHBondContact CG-OD1 3.39Å; R1229-D1267 IonicContact CZ-OD1 2.8Å; R1229-D1267 IonicContact CZ-OD2 3.26Å; R1229-D1267 IonicContact NE-OD1 3.89Å; R1229-D1267 PolarHBondContact NE-OD1 3.37Å; R1229-D1267 IonicContact NE-OD2 3.94Å; R1229-D1267 PolarHBondContact NE-OD2 3.47Å; R1229-D1267 IonicContact NH2-OD1 2.69Å; R1229-D1267 IonicContact NH2-OD2 3.68Å; R1229-D1267 PolarHBondContact NH2-OD2 3.49Å |
| 1230 | F | 93.8 | Very high | 79.8 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.009 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 170.2 | 162.8 | 69.3 | -89.5 | 0 | 0 | 0 | 111.6 | A1214 L1219 V1232 L1244 T1265 V1266 Y1268 I1278 V1280 | A1214-F1230 HydrophobicContact CB-CD2 4.19Å; A1214-F1230 HydrophobicContact CB-CE2 4.32Å; L1219-F1230 HydrophobicContact CD1-CB 4.04Å; L1219-F1230 HydrophobicContact CD1-CD2 3.93Å; L1219-F1230 HydrophobicContact CD1-CG 4.1Å; L1219-F1230 HydrophobicContact CD2-CB 4.19Å; L1219-F1230 HydrophobicContact CD2-CD1 3.74Å; L1219-F1230 HydrophobicContact CD2-CD2 3.88Å; L1219-F1230 HydrophobicContact CD2-CE1 3.96Å; L1219-F1230 HydrophobicContact CD2-CE2 4.08Å; L1219-F1230 HydrophobicContact CD2-CG 3.69Å; L1219-F1230 HydrophobicContact CD2-CZ 4.12Å; L1219-F1230 HydrophobicContact CG-CB 3.64Å; L1219-F1230 HydrophobicContact CG-CD1 4.15Å; L1219-F1230 HydrophobicContact CG-CD2 4.01Å; L1219-F1230 HydrophobicContact CG-CG 3.7Å; F1230-V1232 HydrophobicContact CD2-CG2 4.06Å; F1230-V1232 HydrophobicContact CE2-CG2 3.68Å; F1230-L1244 HydrophobicContact CE2-CD2 4.45Å; F1230-L1244 HydrophobicContact CZ-CD2 4.18Å; F1230-T1265 CarbonylContact O-C 3.52Å; F1230-T1265 WeakPolarHBondContact O-CA 3.45Å; F1230-V1266 HydrophobicContact CD1-CB 4.13Å; F1230-V1266 HydrophobicContact CD1-CG1 4.38Å; F1230-V1266 HydrophobicContact CD2-CB 4.19Å; F1230-V1266 HydrophobicContact CD2-CG2 4.48Å; F1230-V1266 HydrophobicContact CE1-CB 3.78Å; F1230-V1266 HydrophobicContact CE1-CG1 3.63Å; F1230-V1266 HydrophobicContact CE2-CB 3.85Å; F1230-V1266 HydrophobicContact CE2-CG1 4.31Å; F1230-V1266 HydrophobicContact CE2-CG2 3.95Å; F1230-V1266 HydrophobicContact CG-CB 4.34Å; F1230-V1266 HydrophobicContact CZ-CB 3.64Å; F1230-V1266 HydrophobicContact CZ-CG1 3.6Å; F1230-V1266 HydrophobicContact CZ-CG2 4.06Å; F1230-V1266 PolarHBondContact N-O 3.14Å; F1230-V1266 PolarHBondContact O-N 2.84Å; F1230-Y1268 HydrophobicContact CD1-CD1 4.26Å; F1230-Y1268 HydrophobicContact CD1-CE1 4.11Å; F1230-Y1268 HydrophobicContact CE1-CD1 4.05Å; F1230-Y1268 HydrophobicContact CE1-CE1 4.15Å; F1230-I1278 HydrophobicContact CE1-CD1 4.36Å; F1230-I1278 HydrophobicContact CE1-CG2 4Å; F1230-I1278 HydrophobicContact CZ-CG2 3.82Å; F1230-V1280 HydrophobicContact CE2-CG2 3.91Å; F1230-V1280 HydrophobicContact CZ-CG2 4.18Å |
| 1231 | T | 88.9 | Confident | 79.5 | Confident | 24 Ų | 24 | 42.1 Ų | 42.1 | 15% | 0.147 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 131.4 | -178.9 | -65.6 | 0 | 0 | 0 | 0 | 109.8 | A1214 Y1215 T1263 C1264 T1265 | A1214-T1231 CarbonylContact C-O 3.58Å; A1214-T1231 WeakPolarHBondContact CA-O 3.5Å; Y1215-T1231 HydrophobicContact CE2-CG2 4.42Å; Y1215-T1231 PolarHBondContact N-O 2.85Å; Y1215-T1231 PolarHBondContact O-N 3.14Å; T1231-T1263 HydrophobicContact CG2-CG2 4.19Å; T1231-C1264 CarbonylContact C-O 3.49Å; T1231-C1264 WeakPolarHBondContact CA-O 3.42Å; T1231-T1265 PolarHBondContact OG1-OG1 3.22Å |
| 1232 | V | 90.5 | Very high | 79.8 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 107.2 | 174.7 | -172.4 | 0 | 0 | 0 | 0 | 108.8 | V1212 R1213 A1214 F1230 L1234 L1242 T1263 C1264 V1266 V1280 | V1212-V1232 HydrophobicContact CG1-CG1 3.43Å; V1212-V1232 VanDerWaalsContact CG1-CG1 3.43Å; R1213-V1232 CarbonylContact O-C 3.5Å; R1213-V1232 WeakPolarHBondContact O-CA 3.46Å; A1214-V1232 HydrophobicContact CB-CG2 4.03Å; F1230-V1232 HydrophobicContact CD2-CG2 4.06Å; F1230-V1232 HydrophobicContact CE2-CG2 3.68Å; V1232-L1234 HydrophobicContact CG1-CD2 3.93Å; V1232-L1242 HydrophobicContact CB-CD2 4.35Å; V1232-L1242 HydrophobicContact CG1-CD1 3.99Å; V1232-L1242 HydrophobicContact CG1-CD2 4.37Å; V1232-T1263 CarbonylContact O-C 3.54Å; V1232-T1263 VanDerWaalsContact O-CA 3.3Å; V1232-T1263 WeakPolarHBondContact O-CA 3.46Å; V1232-C1264 PolarHBondContact N-O 2.59Å; V1232-C1264 PolarHBondContact O-N 2.86Å; V1232-V1266 HydrophobicContact CG2-CG2 4.24Å; V1232-V1280 HydrophobicContact CG1-CG1 4.08Å; V1232-V1280 HydrophobicContact CG2-CG1 3.95Å |
| 1233 | D | 86 | Confident | 79.8 | Confident | 28 Ų | 28 | 44.2 Ų | 44.2 | 15% | 0.15 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 123.5 | 173.1 | -173.4 | 12.8 | 0 | 0 | 0 | 110.3 | K1131 V1212 R1213 Y1215 D1235 T1263 | K1131-D1233 IonicContact NZ-OD1 2.67Å; K1131-D1233 PolarHBondContact NZ-OD1 3.38Å; V1212-D1233 WeakPolarHBondContact CA-O 3.49Å; R1213-D1233 PolarHBondContact N-O 2.77Å; R1213-D1233 PolarHBondContact O-N 2.84Å; Y1215-D1233 HydrophobicContact CE1-CB 3.7Å; D1233-D1235 WeakPolarHBondContact OD1-CB 3.31Å; D1233-D1235 PolarHBondContact OD1-N 3.25Å; D1233-D1235 VanDerWaalsContact OD1-N 3.15Å; D1233-T1263 HydrophobicContact CB-CG2 3.87Å |
| 1234 | L | 83 | Confident | 80.2 | Confident | 43 Ų | 43 | 42.6 Ų | 42.6 | 23% | 0.225 | 24% | 0.244 | C | C | . | . | trans | -103.7 | 7.9 | -177.2 | -54.6 | 172.2 | 0 | 0 | 0 | 111.8 | V1212 V1232 G1236 A1237 G1262 F1282 | V1212-L1234 HydrophobicContact CB-CD2 4.47Å; V1212-L1234 HydrophobicContact CG1-CD2 3.75Å; V1212-L1234 HydrophobicContact CG2-CD2 3.89Å; V1232-L1234 HydrophobicContact CG1-CD2 3.93Å; L1234-G1236 PolarHBondContact O-N 2.89Å; L1234-A1237 WeakPolarHBondContact O-CB 3.45Å; L1234-A1237 PolarHBondContact O-N 3.35Å; L1234-G1262 WeakPolarHBondContact CB-O 3.37Å; L1234-G1262 PolarHBondContact N-O 2.79Å; L1234-F1282 HydrophobicContact CD2-CD2 3.96Å; L1234-F1282 HydrophobicContact CD2-CE2 3.86Å | ||
| 1235 | D | 72.5 | Confident | 80.3 | Confident | 34 Ų | 34 | 44.7 Ų | 44.7 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 123.1 | -174.5 | -164.3 | 55.3 | 0 | 0 | 0 | 112.6 | F1129 K1131 D1233 A1237 | F1129-D1235 VanDerWaalsContact O-OD1 3.09Å; K1131-D1235 HydrophobicContact CD-CB 4.2Å; K1131-D1235 VanDerWaalsContact CD-CG 3.44Å; K1131-D1235 WeakPolarHBondContact CD-OD1 3.38Å; K1131-D1235 WeakPolarHBondContact CE-OD1 3.44Å; K1131-D1235 WeakPolarHBondContact CG-OD1 3.36Å; K1131-D1235 IonicContact NZ-OD1 3.61Å; D1233-D1235 WeakPolarHBondContact OD1-CB 3.31Å; D1233-D1235 PolarHBondContact OD1-N 3.25Å; D1233-D1235 VanDerWaalsContact OD1-N 3.15Å; D1235-A1237 PolarHBondContact O-N 3.29Å; D1235-A1237 VanDerWaalsContact O-N 3.17Å |
| 1236 | G | 65.1 | Low | 80.7 | Confident | 10 Ų | 10 | 40.6 Ų | 40.6 | 10% | 0.103 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62 | 14.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | F1125 F1129 R1211 L1234 | F1125-G1236 VanDerWaalsContact CD2-O 3.29Å; F1125-G1236 WeakPolarHBondContact CD2-O 3.39Å; F1129-G1236 PolarHBondContact O-N 3.16Å; R1211-G1236 WeakPolarHBondContact CD-O 3.22Å; R1211-G1236 PolarHBondContact NH1-O 3.49Å; L1234-G1236 PolarHBondContact O-N 2.89Å |
| 1237 | A | 69.8 | Low | 80.6 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -82 | -11.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | C1207 D1208 R1211 V1212 L1234 D1235 F1282 | C1207-A1237 CarbonylContact C-O 3.5Å; C1207-A1237 VanDerWaalsContact CA-O 3.29Å; C1207-A1237 WeakPolarHBondContact CA-O 3.38Å; D1208-A1237 PolarHBondContact N-O 3.14Å; R1211-A1237 HydrophobicContact CB-CB 4.26Å; V1212-A1237 HydrophobicContact CG2-CB 3.45Å; V1212-A1237 VanDerWaalsContact CG2-CB 3.45Å; L1234-A1237 WeakPolarHBondContact O-CB 3.45Å; L1234-A1237 PolarHBondContact O-N 3.35Å; D1235-A1237 PolarHBondContact O-N 3.29Å; D1235-A1237 VanDerWaalsContact O-N 3.17Å; A1237-F1282 HydrophobicContact CB-CE1 4.12Å; A1237-F1282 HydrophobicContact CB-CZ 4.46Å | ||
| 1238 | G | 68.4 | Low | 80.4 | Confident | 11 Ų | 11 | 37.6 Ų | 37.6 | 11% | 0.113 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | 81.4 | -164.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.7 | G1206 F1282 | G1206-G1238 VanDerWaalsContact O-CA 3.29Å; G1206-G1238 WeakPolarHBondContact O-CA 3.16Å; G1238-F1282 WeakPolarHBondContact O-CZ 3.45Å |
| 1239 | Q | 67.8 | Low | 79.6 | Confident | 105 Ų | 105 | 38.7 Ų | 38.7 | 49% | 0.491 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -89.5 | 113.3 | -169.9 | -167.4 | -176 | 43.5 | 0 | 0 | 111.4 | E1127 G1206 C1207 | E1127-Q1239 PolarHBondContact OE1-NE2 3.05Å; E1127-Q1239 VanDerWaalsContact OE1-NE2 3.09Å; E1127-Q1239 PolarHBondContact OE2-NE2 2.89Å; G1206-Q1239 PolarHBondContact O-N 2.84Å; C1207-Q1239 WeakPolarHBondContact CB-O 3.5Å |
| 1240 | G | 66.9 | Low | 78.9 | Confident | 31 Ų | 31 | 35.5 Ų | 35.5 | 32% | 0.32 | 24% | 0.237 | S | C | . | . | trans | -171.9 | 158.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F1282 | G1240-F1282 WeakPolarHBondContact O-CE2 3.1Å; G1240-F1282 WeakPolarHBondContact O-CZ 2.93Å | ||
| 1241 | A | 74.7 | Confident | 77.9 | Confident | 69 Ų | 69 | 42.8 Ų | 42.8 | 57% | 0.57 | 28% | 0.276 | S | S | * | . | trans | -85.8 | 132 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1243 F1282 N1283 | A1241-G1243 PolarHBondContact O-N 3.3Å; A1241-F1282 WeakPolarHBondContact O-CA 3.35Å; A1241-N1283 PolarHBondContact O-N 2.83Å | ||
| 1242 | L | 82.9 | Confident | 77.3 | Confident | 50 Ų | 50 | 42.3 Ų | 42.3 | 26% | 0.262 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 109.2 | 171.2 | 177.6 | 58.9 | 0 | 0 | 0 | 109.7 | V1232 L1244 C1264 V1280 K1281 | V1232-L1242 HydrophobicContact CB-CD2 4.35Å; V1232-L1242 HydrophobicContact CG1-CD1 3.99Å; V1232-L1242 HydrophobicContact CG1-CD2 4.37Å; L1242-L1244 HydrophobicContact CD1-CG 4.49Å; L1242-L1244 HydrophobicContact CD2-CD1 4.37Å; L1242-L1244 HydrophobicContact CG-CD1 4.37Å; L1242-L1244 HydrophobicContact CG-CG 4.34Å; L1242-C1264 HydrophobicContact CD2-CB 3.98Å; L1242-V1280 HydrophobicContact CD1-CG1 3.75Å; L1242-K1281 CarbonylContact C-O 3.56Å; L1242-K1281 WeakPolarHBondContact CA-O 3.48Å; L1242-K1281 WeakPolarHBondContact CD1-O 3.4Å |
| 1243 | G | 83.5 | Confident | 76.6 | Confident | 29 Ų | 29 | 49.4 Ų | 49.4 | 30% | 0.299 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 130.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | A1241 K1281 | A1241-G1243 PolarHBondContact O-N 3.3Å; G1243-K1281 PolarHBondContact N-O 2.91Å; G1243-K1281 PolarHBondContact O-N 3.28Å |
| 1244 | L | 87.2 | Confident | 76.7 | Confident | 48 Ų | 48 | 51 Ų | 51 | 25% | 0.251 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 127.1 | 178 | -71 | 163.6 | 0 | 0 | 0 | 109.5 | F1230 L1242 C1256 V1266 F1279 V1280 | F1230-L1244 HydrophobicContact CE2-CD2 4.45Å; F1230-L1244 HydrophobicContact CZ-CD2 4.18Å; L1242-L1244 HydrophobicContact CD1-CG 4.49Å; L1242-L1244 HydrophobicContact CD2-CD1 4.37Å; L1242-L1244 HydrophobicContact CG-CD1 4.37Å; L1242-L1244 HydrophobicContact CG-CG 4.34Å; L1244-C1256 WeakPolarHBondContact CD1-SG 3.36Å; L1244-V1266 HydrophobicContact CD1-CG1 4.22Å; L1244-V1266 HydrophobicContact CD1-CG2 3.65Å; L1244-V1266 HydrophobicContact CD2-CG2 4.45Å; L1244-F1279 WeakPolarHBondContact CA-O 3.26Å; L1244-V1280 HydrophobicContact CD2-CB 4.24Å; L1244-V1280 HydrophobicContact CD2-CG1 4.03Å; L1244-V1280 HydrophobicContact CD2-CG2 3.84Å |
| 1245 | A | 82.4 | Confident | 76.4 | Confident | 50 Ų | 50 | 55.4 Ų | 55.4 | 41% | 0.413 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 149.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | F1279 | A1245-F1279 HydrophobicContact CB-CB 4.22Å; A1245-F1279 PolarHBondContact N-O 2.9Å; A1245-F1279 PolarHBondContact O-N 3.44Å |
| 1246 | L | 86.1 | Confident | 76.9 | Confident | 22 Ų | 22 | 57.3 Ų | 57.3 | 12% | 0.115 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 109.7 | -166.4 | -144.6 | 167.1 | 0 | 0 | 0 | 108.6 | A1252 I1254 Y1268 Y1276 I1278 | L1246-A1252 HydrophobicContact CD2-CB 4.49Å; L1246-I1254 HydrophobicContact CB-CD1 3.67Å; L1246-I1254 HydrophobicContact CB-CG1 4.26Å; L1246-I1254 HydrophobicContact CD1-CD1 4.12Å; L1246-I1254 HydrophobicContact CD1-CG1 3.99Å; L1246-Y1268 HydrophobicContact CD1-CD1 3.89Å; L1246-Y1268 HydrophobicContact CD1-CD2 3.66Å; L1246-Y1268 HydrophobicContact CD1-CE2 4.34Å; L1246-Y1268 HydrophobicContact CD1-CG 3.41Å; L1246-Y1268 VanDerWaalsContact CD1-CG 3.41Å; L1246-Y1268 HydrophobicContact CD2-CD2 4.35Å; L1246-Y1276 HydrophobicContact CD2-CD1 3.33Å; L1246-Y1276 HydrophobicContact CD2-CE1 4.15Å; L1246-Y1276 HydrophobicContact CD2-CG 3.95Å; L1246-I1278 HydrophobicContact CD1-CD1 4.18Å; L1246-I1278 HydrophobicContact CD1-CG1 4.37Å; L1246-I1278 HydrophobicContact CD1-CG2 4.43Å; L1246-I1278 HydrophobicContact CD2-CD1 4.4Å; L1246-I1278 HydrophobicContact CD2-CG1 4.03Å; L1246-I1278 HydrophobicContact CG-CB 4.39Å; L1246-I1278 HydrophobicContact CG-CD1 4.23Å; L1246-I1278 HydrophobicContact CG-CG1 3.88Å; L1246-I1278 HydrophobicContact CG-CG2 4.23Å |
| 1247 | E | 79.3 | Confident | 77.6 | Confident | 74 Ų | 74 | 61 Ų | 61 | 35% | 0.346 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 142.6 | -174.5 | -59.9 | -175.3 | 117.1 | 0 | 0 | 110.2 | R846 Y1276 D1277 F1279 | R846-E1247 IonicContact CZ-OE1 2.74Å; R846-E1247 IonicContact CZ-OE2 2.61Å; R846-E1247 IonicContact NH1-OE1 3.2Å; R846-E1247 PolarHBondContact NH1-OE1 2.89Å; R846-E1247 IonicContact NH1-OE2 2.89Å; R846-E1247 PolarHBondContact NH1-OE2 3.42Å; R846-E1247 IonicContact NH2-OE2 2.88Å; R846-E1247 PolarHBondContact NH2-OE2 2.99Å; E1247-Y1276 CarbonylContact O-C 3.56Å; E1247-Y1276 VanDerWaalsContact O-CA 3.31Å; E1247-Y1276 WeakPolarHBondContact O-CA 3.5Å; E1247-D1277 HydrophobicContact CB-CB 4.44Å; E1247-D1277 PolarHBondContact N-O 2.9Å; E1247-D1277 PolarHBondContact O-N 2.9Å; E1247-F1279 HydrophobicContact CG-CE2 4.19Å; E1247-F1279 WeakPolarHBondContact OE2-CE2 3.41Å |
| 1248 | G | 79.8 | Confident | 77.9 | Confident | 44 Ų | 44 | 66.2 Ų | 66.2 | 45% | 0.454 | 39% | 0.392 | S | S | . | . | S | Bend | trans | 177.2 | -160.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | A1250 | G1248-A1250 PolarHBondContact O-N 3.31Å; G1248-A1250 VanDerWaalsContact O-N 3.16Å |
| 1249 | P | 73 | Confident | 78 | Confident | 38 Ų | 38 | 68.5 Ų | 68.5 | 25% | 0.247 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -62.3 | -22.5 | -173.7 | -23.9 | 33.8 | 0 | 0 | 0 | 115.3 | R1272 A1273 Y1276 | P1249-R1272 HydrophobicContact CB-CB 4.24Å; P1249-R1272 HydrophobicContact CB-CG 3.93Å; P1249-R1272 WeakPolarHBondContact O-CD 3.37Å; P1249-R1272 PolarHBondContact O-NH1 2.87Å; P1249-A1273 WeakPolarHBondContact CG-O 3.5Å; P1249-Y1276 HydrophobicContact CG-CE2 4.43Å |
| 1250 | A | 74.7 | Confident | 77.6 | Confident | 33 Ų | 33 | 69.8 Ų | 69.8 | 27% | 0.273 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -160.9 | 150 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | G1248 A1252 R1272 Y1276 | G1248-A1250 PolarHBondContact O-N 3.31Å; G1248-A1250 VanDerWaalsContact O-N 3.16Å; A1250-A1252 PolarHBondContact O-N 2.71Å; A1250-R1272 HydrophobicContact CB-CB 3.95Å; A1250-Y1276 WeakPolarHBondContact O-CE1 3.24Å; A1250-Y1276 PolarHBondContact O-OH 2.95Å |
| 1251 | D | 74.2 | Confident | 77.6 | Confident | 156 Ų | 156 | 70.4 Ų | 70.4 | 83% | 0.834 | 40% | 0.402 | S | S | * | . | trans | -55.3 | 129 | 178.5 | -61 | -42 | 0 | 0 | 0 | 111.4 | ||||
| 1252 | A | 75.6 | Confident | 77.2 | Confident | 14 Ų | 14 | 67.6 Ų | 67.6 | 12% | 0.116 | 38% | 0.38 | C | S | . | . | trans | -104.9 | 133.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | L1246 A1250 Y1268 L1269 Y1276 | L1246-A1252 HydrophobicContact CD2-CB 4.49Å; A1250-A1252 PolarHBondContact O-N 2.71Å; A1252-Y1268 HydrophobicContact CB-CD2 4.3Å; A1252-L1269 WeakPolarHBondContact CB-O 3.47Å; A1252-Y1276 HydrophobicContact CB-CE1 3.97Å | ||
| 1253 | Q | 76.7 | Confident | 77.2 | Confident | 149 Ų | 149 | 65.7 Ų | 65.7 | 70% | 0.696 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70 | 136.5 | 172 | -73.8 | -170.7 | -12.1 | 0 | 0 | 109.8 | Y1268 L1269 | Q1253-Y1268 CarbonylContact O-C 3.41Å; Q1253-Y1268 WeakPolarHBondContact O-CA 3.37Å; Q1253-Y1268 WeakPolarHBondContact O-CB 3.34Å; Q1253-L1269 PolarHBondContact O-N 3.1Å |
| 1254 | I | 86.2 | Confident | 77.1 | Confident | 61 Ų | 61 | 65 Ų | 65 | 31% | 0.313 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 136.6 | 177.7 | -43.7 | 173.4 | 0 | 0 | 0 | 108.5 | L1246 V1266 D1267 | L1246-I1254 HydrophobicContact CB-CD1 3.67Å; L1246-I1254 HydrophobicContact CB-CG1 4.26Å; L1246-I1254 HydrophobicContact CD1-CD1 4.12Å; L1246-I1254 HydrophobicContact CD1-CG1 3.99Å; I1254-V1266 HydrophobicContact CG2-CG1 3.6Å; I1254-D1267 CarbonylContact C-O 3.52Å; I1254-D1267 WeakPolarHBondContact CA-O 3.47Å |
| 1255 | Q | 78 | Confident | 77.2 | Confident | 136 Ų | 136 | 63.2 Ų | 63.2 | 64% | 0.636 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 142.4 | 165.8 | -64.5 | -172.1 | 5.4 | 0 | 0 | 109.2 | V1266 D1267 | Q1255-V1266 WeakPolarHBondContact O-CA 3.49Å; Q1255-D1267 PolarHBondContact N-O 2.9Å; Q1255-D1267 PolarHBondContact O-N 2.78Å |
| 1256 | C | 82.7 | Confident | 77.6 | Confident | 74 Ų | 74 | 60.9 Ų | 60.9 | 50% | 0.5 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 131.4 | -177.9 | -53.2 | 0 | 0 | 0 | 0 | 109.6 | L1244 T1265 | L1244-C1256 WeakPolarHBondContact CD1-SG 3.36Å; C1256-T1265 CarbonylContact C-O 3.59Å; C1256-T1265 WeakPolarHBondContact CA-O 3.32Å |
| 1257 | Q | 79.7 | Confident | 77.7 | Confident | 87 Ų | 87 | 61.2 Ų | 61.2 | 41% | 0.407 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 111 | -179.1 | 178.7 | 172.4 | -7.2 | 0 | 0 | 109 | N1259 C1264 T1265 | Q1257-N1259 PolarHBondContact O-N 2.7Å; Q1257-C1264 CarbonylContact O-C 3.56Å; Q1257-C1264 WeakPolarHBondContact O-CA 3.45Å; Q1257-T1265 PolarHBondContact N-O 2.85Å; Q1257-T1265 PolarHBondContact O-N 2.96Å |
| 1258 | D | 75.1 | Confident | 78.2 | Confident | 109 Ų | 109 | 57.8 Ų | 57.8 | 58% | 0.583 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 120.1 | 168.1 | 179 | 2.7 | 0 | 0 | 0 | 109.1 | K1260 | D1258-K1260 VanDerWaalsContact C-N 3.27Å; D1258-K1260 WeakPolarHBondContact OD1-CA 3.37Å; D1258-K1260 PolarHBondContact OD1-N 2.89Å |
| 1259 | N | 70.6 | Confident | 78.6 | Confident | 60 Ų | 60 | 58.1 Ų | 58.1 | 32% | 0.321 | 31% | 0.309 | S | S | . | . | trans | -84.1 | -3.4 | -178.3 | -61 | -36.2 | 0 | 0 | 0 | 112.5 | Q1257 D1261 T1263 T1265 | Q1257-N1259 PolarHBondContact O-N 2.7Å; N1259-D1261 PolarHBondContact O-N 2.93Å; N1259-T1263 WeakPolarHBondContact CB-O 3.39Å; N1259-T1263 PolarHBondContact N-O 3.12Å; N1259-T1263 PolarHBondContact ND2-OG1 3.07Å; N1259-T1265 PolarHBondContact ND2-OG1 2.88Å | ||
| 1260 | K | 59.3 | Low | 79 | Confident | 131 Ų | 131 | 56.3 Ų | 56.3 | 57% | 0.57 | 30% | 0.297 | S | S | * | . | S | Bend | trans | 56.9 | 12.3 | -176.4 | -62.2 | -164.4 | 171 | -168.5 | 0 | 115.7 | F1129 D1258 E1973 | F1129-K1260 WeakPolarHBondContact CE2-O 3.43Å; F1129-K1260 VanDerWaalsContact CZ-O 3.23Å; F1129-K1260 WeakPolarHBondContact CZ-O 3.44Å; D1258-K1260 VanDerWaalsContact C-N 3.27Å; D1258-K1260 WeakPolarHBondContact OD1-CA 3.37Å; D1258-K1260 PolarHBondContact OD1-N 2.89Å; K1260-E1973 IonicContact NZ-OE2 3.84Å; K1260-E1973 PolarHBondContact NZ-OE2 3.46Å |
| 1261 | D | 67.7 | Low | 79.2 | Confident | 44 Ų | 44 | 57.4 Ų | 57.4 | 24% | 0.235 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -104.1 | 13.1 | 172 | 96.4 | -48.1 | 0 | 0 | 0 | 113.1 | F1129 K1131 K1172 N1259 T1263 | F1129-D1261 VanDerWaalsContact CD1-O 3.27Å; F1129-D1261 WeakPolarHBondContact CD1-O 3.46Å; F1129-D1261 VanDerWaalsContact CE1-O 3.27Å; F1129-D1261 WeakPolarHBondContact CE1-O 3.24Å; K1131-D1261 WeakPolarHBondContact CE-O 3.24Å; K1131-D1261 PolarHBondContact NZ-O 2.94Å; K1172-D1261 IonicContact NZ-OD2 3.67Å; K1172-D1261 PolarHBondContact NZ-OD2 3.19Å; N1259-D1261 PolarHBondContact O-N 2.93Å; D1261-T1263 VanDerWaalsContact OD1-CB 3.29Å; D1261-T1263 WeakPolarHBondContact OD1-CB 3.25Å; D1261-T1263 VanDerWaalsContact OD1-CG2 3.28Å; D1261-T1263 WeakPolarHBondContact OD1-CG2 3.37Å; D1261-T1263 PolarHBondContact OD1-N 2.87Å; D1261-T1263 VanDerWaalsContact OD1-N 3.1Å; D1261-T1263 PolarHBondContact OD1-OG1 3.07Å |
| 1262 | G | 67.4 | Low | 79.3 | Confident | 10 Ų | 10 | 57.1 Ų | 57.1 | 10% | 0.103 | 29% | 0.288 | C | S | . | . | S | Bend | trans | 84.7 | 5.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1234 | L1234-G1262 WeakPolarHBondContact CB-O 3.37Å; L1234-G1262 PolarHBondContact N-O 2.79Å |
| 1263 | T | 81.1 | Confident | 79.4 | Confident | 10 Ų | 10 | 58 Ų | 58 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 152 | 169.6 | 73.9 | 0 | 0 | 0 | 0 | 112.3 | T1231 V1232 D1233 N1259 D1261 | T1231-T1263 HydrophobicContact CG2-CG2 4.19Å; V1232-T1263 CarbonylContact O-C 3.54Å; V1232-T1263 VanDerWaalsContact O-CA 3.3Å; V1232-T1263 WeakPolarHBondContact O-CA 3.46Å; D1233-T1263 HydrophobicContact CB-CG2 3.87Å; N1259-T1263 WeakPolarHBondContact CB-O 3.39Å; N1259-T1263 PolarHBondContact N-O 3.12Å; N1259-T1263 PolarHBondContact ND2-OG1 3.07Å; D1261-T1263 VanDerWaalsContact OD1-CB 3.29Å; D1261-T1263 WeakPolarHBondContact OD1-CB 3.25Å; D1261-T1263 VanDerWaalsContact OD1-CG2 3.28Å; D1261-T1263 WeakPolarHBondContact OD1-CG2 3.37Å; D1261-T1263 PolarHBondContact OD1-N 2.87Å; D1261-T1263 VanDerWaalsContact OD1-N 3.1Å; D1261-T1263 PolarHBondContact OD1-OG1 3.07Å |
| 1264 | C | 83.2 | Confident | 79.4 | Confident | 14 Ų | 14 | 52.3 Ų | 52.3 | 10% | 0.095 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 116.8 | 173.9 | 178.2 | 0 | 0 | 0 | 0 | 109.1 | T1231 V1232 L1242 Q1257 | T1231-C1264 CarbonylContact C-O 3.49Å; T1231-C1264 WeakPolarHBondContact CA-O 3.42Å; V1232-C1264 PolarHBondContact N-O 2.59Å; V1232-C1264 PolarHBondContact O-N 2.86Å; L1242-C1264 HydrophobicContact CD2-CB 3.98Å; Q1257-C1264 CarbonylContact O-C 3.56Å; Q1257-C1264 WeakPolarHBondContact O-CA 3.45Å |
| 1265 | T | 89.2 | Confident | 79.3 | Confident | 11 Ų | 11 | 53 Ų | 53 | 7% | 0.067 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 137 | 174.8 | -69.3 | 0 | 0 | 0 | 0 | 110.1 | R1229 F1230 T1231 C1256 Q1257 N1259 | R1229-T1265 HydrophobicContact CG-CG2 3.75Å; F1230-T1265 CarbonylContact O-C 3.52Å; F1230-T1265 WeakPolarHBondContact O-CA 3.45Å; T1231-T1265 PolarHBondContact OG1-OG1 3.22Å; C1256-T1265 CarbonylContact C-O 3.59Å; C1256-T1265 WeakPolarHBondContact CA-O 3.32Å; Q1257-T1265 PolarHBondContact N-O 2.85Å; Q1257-T1265 PolarHBondContact O-N 2.96Å; N1259-T1265 PolarHBondContact ND2-OG1 2.88Å |
| 1266 | V | 89.8 | Confident | 79.8 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 120.2 | -176.8 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | R1229 F1230 V1232 L1244 I1254 Q1255 | R1229-V1266 WeakPolarHBondContact CA-O 3.32Å; F1230-V1266 HydrophobicContact CD1-CB 4.13Å; F1230-V1266 HydrophobicContact CD1-CG1 4.38Å; F1230-V1266 HydrophobicContact CD2-CB 4.19Å; F1230-V1266 HydrophobicContact CD2-CG2 4.48Å; F1230-V1266 HydrophobicContact CE1-CB 3.78Å; F1230-V1266 HydrophobicContact CE1-CG1 3.63Å; F1230-V1266 HydrophobicContact CE2-CB 3.85Å; F1230-V1266 HydrophobicContact CE2-CG1 4.31Å; F1230-V1266 HydrophobicContact CE2-CG2 3.95Å; F1230-V1266 HydrophobicContact CG-CB 4.34Å; F1230-V1266 HydrophobicContact CZ-CB 3.64Å; F1230-V1266 HydrophobicContact CZ-CG1 3.6Å; F1230-V1266 HydrophobicContact CZ-CG2 4.06Å; F1230-V1266 PolarHBondContact N-O 3.14Å; F1230-V1266 PolarHBondContact O-N 2.84Å; V1232-V1266 HydrophobicContact CG2-CG2 4.24Å; L1244-V1266 HydrophobicContact CD1-CG1 4.22Å; L1244-V1266 HydrophobicContact CD1-CG2 3.65Å; L1244-V1266 HydrophobicContact CD2-CG2 4.45Å; I1254-V1266 HydrophobicContact CG2-CG1 3.6Å; Q1255-V1266 WeakPolarHBondContact O-CA 3.49Å |
| 1267 | D | 88.9 | Confident | 80.1 | Confident | 30 Ų | 30 | 44.3 Ų | 44.3 | 16% | 0.16 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 136.1 | 172 | -69.1 | -50.7 | 0 | 0 | 0 | 108.8 | Q1228 R1229 I1254 Q1255 | Q1228-D1267 WeakPolarHBondContact O-CA 3.47Å; R1229-D1267 WeakPolarHBondContact CA-OD1 3.3Å; R1229-D1267 WeakPolarHBondContact CB-OD1 3.3Å; R1229-D1267 VanDerWaalsContact CG-OD1 3.28Å; R1229-D1267 WeakPolarHBondContact CG-OD1 3.39Å; R1229-D1267 IonicContact CZ-OD1 2.8Å; R1229-D1267 IonicContact CZ-OD2 3.26Å; R1229-D1267 IonicContact NE-OD1 3.89Å; R1229-D1267 PolarHBondContact NE-OD1 3.37Å; R1229-D1267 IonicContact NE-OD2 3.94Å; R1229-D1267 PolarHBondContact NE-OD2 3.47Å; R1229-D1267 IonicContact NH2-OD1 2.69Å; R1229-D1267 IonicContact NH2-OD2 3.68Å; R1229-D1267 PolarHBondContact NH2-OD2 3.49Å; I1254-D1267 CarbonylContact C-O 3.52Å; I1254-D1267 WeakPolarHBondContact CA-O 3.47Å; Q1255-D1267 PolarHBondContact N-O 2.9Å; Q1255-D1267 PolarHBondContact O-N 2.78Å |
| 1268 | Y | 90.4 | Very high | 80.7 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 147.3 | 168.8 | 68.8 | -82.2 | 0 | 0 | 0 | 112.5 | G1218 Q1228 F1230 L1246 A1252 Q1253 P1270 I1278 V1294 I1296 | G1218-Y1268 VanDerWaalsContact O-CE1 3.26Å; G1218-Y1268 WeakPolarHBondContact O-CE1 3.48Å; G1218-Y1268 PolarHBondContact O-OH 2.85Å; Q1228-Y1268 HydrophobicContact CB-CD1 4.02Å; Q1228-Y1268 HydrophobicContact CB-CD2 4.34Å; Q1228-Y1268 HydrophobicContact CB-CE1 3.55Å; Q1228-Y1268 HydrophobicContact CB-CE2 3.9Å; Q1228-Y1268 HydrophobicContact CB-CG 4.38Å; Q1228-Y1268 VanDerWaalsContact CB-CZ 3.47Å; Q1228-Y1268 HydrophobicContact CG-CE2 4.2Å; Q1228-Y1268 PolarHBondContact N-O 3.07Å; Q1228-Y1268 WeakPolarHBondContact O-CD1 3.29Å; Q1228-Y1268 WeakPolarHBondContact O-CE1 3.43Å; Q1228-Y1268 PolarHBondContact O-N 3.47Å; F1230-Y1268 HydrophobicContact CD1-CD1 4.26Å; F1230-Y1268 HydrophobicContact CD1-CE1 4.11Å; F1230-Y1268 HydrophobicContact CE1-CD1 4.05Å; F1230-Y1268 HydrophobicContact CE1-CE1 4.15Å; L1246-Y1268 HydrophobicContact CD1-CD1 3.89Å; L1246-Y1268 HydrophobicContact CD1-CD2 3.66Å; L1246-Y1268 HydrophobicContact CD1-CE2 4.34Å; L1246-Y1268 HydrophobicContact CD1-CG 3.41Å; L1246-Y1268 VanDerWaalsContact CD1-CG 3.41Å; L1246-Y1268 HydrophobicContact CD2-CD2 4.35Å; A1252-Y1268 HydrophobicContact CB-CD2 4.3Å; Q1253-Y1268 CarbonylContact O-C 3.41Å; Q1253-Y1268 WeakPolarHBondContact O-CA 3.37Å; Q1253-Y1268 WeakPolarHBondContact O-CB 3.34Å; Y1268-P1270 HydrophobicContact CD2-CB 4.45Å; Y1268-P1270 HydrophobicContact CD2-CG 4.32Å; Y1268-P1270 HydrophobicContact CE2-CB 4.33Å; Y1268-P1270 HydrophobicContact CE2-CG 4.09Å; Y1268-P1270 VanDerWaalsContact O-CD 3.24Å; Y1268-P1270 WeakPolarHBondContact O-CD 3.45Å; Y1268-I1278 HydrophobicContact CD1-CD1 4.15Å; Y1268-I1278 HydrophobicContact CE1-CD1 3.42Å; Y1268-I1278 VanDerWaalsContact CE1-CD1 3.42Å; Y1268-I1278 HydrophobicContact CE2-CD1 4.15Å; Y1268-I1278 VanDerWaalsContact CZ-CD1 3.43Å; Y1268-I1278 WeakPolarHBondContact OH-CD1 3.5Å; Y1268-V1294 WeakPolarHBondContact OH-CG1 3.48Å; Y1268-I1296 HydrophobicContact CE2-CD1 4.31Å |
| 1269 | L | 87.3 | Confident | 81.4 | Confident | 50 Ų | 50 | 37.1 Ų | 37.1 | 26% | 0.262 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 91.9 | -177.2 | -173.5 | 64.1 | 0 | 0 | 0 | 110.8 | H1225 A1252 Q1253 | H1225-L1269 WeakPolarHBondContact O-CD1 3.4Å; A1252-L1269 WeakPolarHBondContact CB-O 3.47Å; Q1253-L1269 PolarHBondContact O-N 3.1Å |
| 1270 | P | 80.8 | Confident | 82.4 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -73.9 | 130.5 | 176.5 | 31.7 | -34.2 | 0 | 0 | 0 | 110.5 | T1224 H1225 Q1228 Y1268 Y1276 I1296 | T1224-P1270 WeakPolarHBondContact CA-O 3.45Å; H1225-P1270 PolarHBondContact N-O 2.79Å; Q1228-P1270 HydrophobicContact CG-CG 3.88Å; Y1268-P1270 HydrophobicContact CD2-CB 4.45Å; Y1268-P1270 HydrophobicContact CD2-CG 4.32Å; Y1268-P1270 HydrophobicContact CE2-CB 4.33Å; Y1268-P1270 HydrophobicContact CE2-CG 4.09Å; Y1268-P1270 VanDerWaalsContact O-CD 3.24Å; Y1268-P1270 WeakPolarHBondContact O-CD 3.45Å; P1270-Y1276 HydrophobicContact CB-CD2 4.21Å; P1270-Y1276 HydrophobicContact CB-CE2 3.49Å; P1270-Y1276 VanDerWaalsContact CB-CE2 3.49Å; P1270-I1296 HydrophobicContact CB-CB 4.42Å; P1270-I1296 HydrophobicContact CB-CG1 3.97Å; P1270-I1296 HydrophobicContact CB-CG2 3.93Å; P1270-I1296 HydrophobicContact CG-CB 4.46Å; P1270-I1296 HydrophobicContact CG-CD1 3.99Å; P1270-I1296 HydrophobicContact CG-CG1 3.92Å; P1270-I1296 HydrophobicContact CG-CG2 3.76Å | ||
| 1271 | T | 80.4 | Confident | 83.7 | Confident | 56 Ų | 56 | 31.4 Ų | 31.4 | 34% | 0.344 | 17% | 0.171 | S | C | . | . | trans | -103.7 | 1.6 | -174.7 | 54 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1272 | R | 76.5 | Confident | 84.4 | Confident | 150 Ų | 150 | 29.5 Ų | 29.5 | 57% | 0.566 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -156.5 | 133.6 | -175.1 | -173.9 | 177.3 | 178.7 | -158.8 | 2.6 | 111.5 | P1249 A1250 Y1276 | P1249-R1272 HydrophobicContact CB-CB 4.24Å; P1249-R1272 HydrophobicContact CB-CG 3.93Å; P1249-R1272 WeakPolarHBondContact O-CD 3.37Å; P1249-R1272 PolarHBondContact O-NH1 2.87Å; A1250-R1272 HydrophobicContact CB-CB 3.95Å; R1272-Y1276 WeakPolarHBondContact O-CE2 3.47Å |
| 1273 | A | 75.8 | Confident | 85 | Confident | 34 Ų | 34 | 32.6 Ų | 32.6 | 28% | 0.281 | 18% | 0.175 | S | C | . | . | trans | -68.1 | 150.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T1224 P1249 D1298 | T1224-A1273 HydrophobicContact CG2-CB 4.11Å; P1249-A1273 WeakPolarHBondContact CG-O 3.5Å; A1273-D1298 WeakPolarHBondContact CB-OD2 3.27Å | ||
| 1274 | G | 77.7 | Confident | 84.8 | Confident | 28 Ų | 28 | 38.8 Ų | 38.8 | 29% | 0.289 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 135.1 | 177.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1296 | G1274-I1296 PolarHBondContact N-O 3.1Å; G1274-I1296 PolarHBondContact O-N 2.75Å |
| 1275 | T | 84.9 | Confident | 84.5 | Confident | 75 Ų | 75 | 42.8 Ų | 42.8 | 46% | 0.46 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 130.2 | 178.6 | -49.1 | 0 | 0 | 0 | 0 | 111 | Q1293 V1294 | T1275-Q1293 HydrophobicContact CG2-CB 3.86Å; T1275-V1294 WeakPolarHBondContact CA-O 3.34Å |
| 1276 | Y | 87.2 | Confident | 84.2 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 128.9 | 170.2 | -80.5 | -92.5 | 0 | 0 | 0 | 110.5 | L1246 E1247 P1249 A1250 A1252 P1270 R1272 V1294 I1296 | L1246-Y1276 HydrophobicContact CD2-CD1 3.33Å; L1246-Y1276 HydrophobicContact CD2-CE1 4.15Å; L1246-Y1276 HydrophobicContact CD2-CG 3.95Å; E1247-Y1276 CarbonylContact O-C 3.56Å; E1247-Y1276 VanDerWaalsContact O-CA 3.31Å; E1247-Y1276 WeakPolarHBondContact O-CA 3.5Å; P1249-Y1276 HydrophobicContact CG-CE2 4.43Å; A1250-Y1276 WeakPolarHBondContact O-CE1 3.24Å; A1250-Y1276 PolarHBondContact O-OH 2.95Å; A1252-Y1276 HydrophobicContact CB-CE1 3.97Å; P1270-Y1276 HydrophobicContact CB-CD2 4.21Å; P1270-Y1276 HydrophobicContact CB-CE2 3.49Å; P1270-Y1276 VanDerWaalsContact CB-CE2 3.49Å; R1272-Y1276 WeakPolarHBondContact O-CE2 3.47Å; Y1276-V1294 PolarHBondContact N-O 3.12Å; Y1276-V1294 PolarHBondContact O-N 3.35Å; Y1276-I1296 HydrophobicContact CD2-CB 4.03Å; Y1276-I1296 HydrophobicContact CD2-CG1 3.51Å; Y1276-I1296 HydrophobicContact CE2-CB 4.17Å; Y1276-I1296 HydrophobicContact CE2-CG1 3.96Å; Y1276-I1296 HydrophobicContact CG-CG1 4.48Å |
| 1277 | D | 89.3 | Confident | 84.2 | Confident | 28 Ų | 28 | 45.7 Ų | 45.7 | 15% | 0.15 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 106.5 | 172 | -69 | -43.8 | 0 | 0 | 0 | 109.2 | R846 E1247 F1279 P1291 Q1293 | R846-D1277 IonicContact NH2-OD2 2.77Å; R846-D1277 PolarHBondContact NH2-OD2 3.15Å; E1247-D1277 HydrophobicContact CB-CB 4.44Å; E1247-D1277 PolarHBondContact N-O 2.9Å; E1247-D1277 PolarHBondContact O-N 2.9Å; D1277-F1279 HydrophobicContact CB-CD2 4.47Å; D1277-F1279 HydrophobicContact CB-CE2 3.8Å; D1277-F1279 HydrophobicContact CB-CZ 4.47Å; D1277-P1291 HydrophobicContact CB-CB 4.29Å; D1277-Q1293 WeakPolarHBondContact OD1-CG 3.31Å; D1277-Q1293 PolarHBondContact OD1-NE2 2.8Å |
| 1278 | I | 91.5 | Very high | 83.8 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 102.7 | -178.4 | -47.3 | -165.1 | 0 | 0 | 0 | 110.2 | L1219 F1230 L1246 Y1268 V1280 P1291 F1292 V1294 | L1219-I1278 HydrophobicContact CD2-CB 4.5Å; L1219-I1278 HydrophobicContact CD2-CD1 4.23Å; L1219-I1278 HydrophobicContact CD2-CG2 4.37Å; F1230-I1278 HydrophobicContact CE1-CD1 4.36Å; F1230-I1278 HydrophobicContact CE1-CG2 4Å; F1230-I1278 HydrophobicContact CZ-CG2 3.82Å; L1246-I1278 HydrophobicContact CD1-CD1 4.18Å; L1246-I1278 HydrophobicContact CD1-CG1 4.37Å; L1246-I1278 HydrophobicContact CD1-CG2 4.43Å; L1246-I1278 HydrophobicContact CD2-CD1 4.4Å; L1246-I1278 HydrophobicContact CD2-CG1 4.03Å; L1246-I1278 HydrophobicContact CG-CB 4.39Å; L1246-I1278 HydrophobicContact CG-CD1 4.23Å; L1246-I1278 HydrophobicContact CG-CG1 3.88Å; L1246-I1278 HydrophobicContact CG-CG2 4.23Å; Y1268-I1278 HydrophobicContact CD1-CD1 4.15Å; Y1268-I1278 HydrophobicContact CE1-CD1 3.42Å; Y1268-I1278 VanDerWaalsContact CE1-CD1 3.42Å; Y1268-I1278 HydrophobicContact CE2-CD1 4.15Å; Y1268-I1278 VanDerWaalsContact CZ-CD1 3.43Å; Y1268-I1278 WeakPolarHBondContact OH-CD1 3.5Å; I1278-V1280 HydrophobicContact CG2-CG2 4.36Å; I1278-V1280 PolarHBondContact O-N 3.15Å; I1278-P1291 CarbonylContact O-C 3.49Å; I1278-P1291 VanDerWaalsContact O-CA 3.26Å; I1278-P1291 WeakPolarHBondContact O-CA 3.38Å; I1278-F1292 HydrophobicContact CB-CB 4.39Å; I1278-F1292 PolarHBondContact N-O 2.87Å; I1278-F1292 PolarHBondContact O-N 2.74Å; I1278-V1294 HydrophobicContact CD1-CB 4.31Å; I1278-V1294 HydrophobicContact CD1-CG2 3.56Å; I1278-V1294 HydrophobicContact CG1-CG2 3.85Å |
| 1279 | F | 91 | Very high | 83.3 | Confident | 44 Ų | 44 | 50 Ų | 50 | 19% | 0.193 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 106.1 | 176.6 | -64.8 | -98.5 | 0 | 0 | 0 | 110.4 | L1244 A1245 E1247 D1277 P1291 | L1244-F1279 WeakPolarHBondContact CA-O 3.26Å; A1245-F1279 HydrophobicContact CB-CB 4.22Å; A1245-F1279 PolarHBondContact N-O 2.9Å; A1245-F1279 PolarHBondContact O-N 3.44Å; E1247-F1279 HydrophobicContact CG-CE2 4.19Å; E1247-F1279 WeakPolarHBondContact OE2-CE2 3.41Å; D1277-F1279 HydrophobicContact CB-CD2 4.47Å; D1277-F1279 HydrophobicContact CB-CE2 3.8Å; D1277-F1279 HydrophobicContact CB-CZ 4.47Å; F1279-P1291 HydrophobicContact CD1-CB 3.79Å; F1279-P1291 HydrophobicContact CD1-CG 4.16Å; F1279-P1291 HydrophobicContact CD2-CB 4.03Å; F1279-P1291 HydrophobicContact CE1-CB 3.77Å; F1279-P1291 HydrophobicContact CE1-CG 3.71Å; F1279-P1291 HydrophobicContact CE2-CB 3.98Å; F1279-P1291 HydrophobicContact CE2-CG 4.48Å; F1279-P1291 HydrophobicContact CG-CB 3.93Å; F1279-P1291 HydrophobicContact CZ-CB 3.86Å; F1279-P1291 HydrophobicContact CZ-CG 3.89Å |
| 1280 | V | 90.8 | Very high | 83.4 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 121 | 164.5 | -169 | 0 | 0 | 0 | 0 | 108.7 | A1214 F1230 V1232 L1242 L1244 I1278 I1287 S1290 F1292 | A1214-V1280 HydrophobicContact CB-CG2 4.15Å; F1230-V1280 HydrophobicContact CE2-CG2 3.91Å; F1230-V1280 HydrophobicContact CZ-CG2 4.18Å; V1232-V1280 HydrophobicContact CG1-CG1 4.08Å; V1232-V1280 HydrophobicContact CG2-CG1 3.95Å; L1242-V1280 HydrophobicContact CD1-CG1 3.75Å; L1244-V1280 HydrophobicContact CD2-CB 4.24Å; L1244-V1280 HydrophobicContact CD2-CG1 4.03Å; L1244-V1280 HydrophobicContact CD2-CG2 3.84Å; I1278-V1280 HydrophobicContact CG2-CG2 4.36Å; I1278-V1280 PolarHBondContact O-N 3.15Å; V1280-I1287 HydrophobicContact CB-CD1 3.8Å; V1280-I1287 HydrophobicContact CB-CG1 3.97Å; V1280-I1287 HydrophobicContact CG1-CD1 3.63Å; V1280-I1287 HydrophobicContact CG1-CG1 4.15Å; V1280-I1287 HydrophobicContact CG1-CG2 4.39Å; V1280-I1287 PolarHBondContact O-N 2.94Å; V1280-S1290 PolarHBondContact N-OG 2.79Å; V1280-S1290 WeakPolarHBondContact O-CB 3.28Å; V1280-S1290 PolarHBondContact O-OG 3.18Å; V1280-F1292 HydrophobicContact CB-CE2 4.15Å; V1280-F1292 HydrophobicContact CG2-CD2 4.03Å; V1280-F1292 HydrophobicContact CG2-CE2 3.83Å |
| 1281 | K | 86.3 | Confident | 83.7 | Confident | 70 Ų | 70 | 49.7 Ų | 49.7 | 30% | 0.304 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 146.4 | -178.5 | -70.6 | 177.8 | 176.6 | -177.8 | 0 | 110.8 | L1242 G1243 M1285 N1286 | L1242-K1281 CarbonylContact C-O 3.56Å; L1242-K1281 WeakPolarHBondContact CA-O 3.48Å; L1242-K1281 WeakPolarHBondContact CD1-O 3.4Å; G1243-K1281 PolarHBondContact N-O 2.91Å; G1243-K1281 PolarHBondContact O-N 3.28Å; K1281-M1285 CarbonylContact C-O 3.58Å; K1281-M1285 VanDerWaalsContact CA-O 3.24Å; K1281-M1285 WeakPolarHBondContact CA-O 3.3Å; K1281-N1286 WeakPolarHBondContact CE-OD1 3.49Å; K1281-N1286 WeakPolarHBondContact CG-OD1 3.26Å |
| 1282 | F | 83.8 | Confident | 84.1 | Confident | 5 Ų | 5 | 48.6 Ų | 48.6 | 2% | 0.022 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 117.1 | 169.9 | -162.8 | -112.1 | 0 | 0 | 0 | 109.5 | C1207 P1209 V1212 L1234 A1237 G1238 G1240 A1241 M1285 I1287 | C1207-F1282 HydrophobicContact CB-CE1 4.15Å; P1209-F1282 HydrophobicContact CB-CB 4.24Å; P1209-F1282 HydrophobicContact CG-CD1 4.4Å; V1212-F1282 HydrophobicContact CG2-CB 3.93Å; V1212-F1282 HydrophobicContact CG2-CD1 3.95Å; V1212-F1282 HydrophobicContact CG2-CD2 4.13Å; V1212-F1282 HydrophobicContact CG2-CE1 4.5Å; V1212-F1282 HydrophobicContact CG2-CG 3.74Å; L1234-F1282 HydrophobicContact CD2-CD2 3.96Å; L1234-F1282 HydrophobicContact CD2-CE2 3.86Å; A1237-F1282 HydrophobicContact CB-CE1 4.12Å; A1237-F1282 HydrophobicContact CB-CZ 4.46Å; G1238-F1282 WeakPolarHBondContact O-CZ 3.45Å; G1240-F1282 WeakPolarHBondContact O-CE2 3.1Å; G1240-F1282 WeakPolarHBondContact O-CZ 2.93Å; A1241-F1282 WeakPolarHBondContact O-CA 3.35Å; F1282-M1285 PolarHBondContact N-O 3.32Å; F1282-M1285 PolarHBondContact O-N 3.43Å; F1282-I1287 HydrophobicContact CB-CG2 4.01Å |
| 1283 | N | 79.3 | Confident | 84.7 | Confident | 75 Ų | 75 | 44.8 Ų | 44.8 | 40% | 0.401 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 56.4 | -172.5 | -156.5 | 17.1 | 0 | 0 | 0 | 111.9 | A1241 M1285 | A1241-N1283 PolarHBondContact O-N 2.83Å; N1283-M1285 HydrophobicContact CB-CE 4.44Å; N1283-M1285 PolarHBondContact O-N 2.82Å |
| 1284 | D | 77.5 | Confident | 85.3 | Confident | 139 Ų | 139 | 43.1 Ų | 43.1 | 74% | 0.743 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | -9 | -173.8 | -75.1 | -44.4 | 0 | 0 | 0 | 118 | ||
| 1285 | M | 76.6 | Confident | 85.6 | Confident | 99 Ų | 99 | 44 Ų | 44 | 49% | 0.488 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 133.1 | 176 | -68.8 | 174 | -83.6 | 0 | 0 | 111.4 | P1209 K1281 F1282 N1283 I1287 | P1209-M1285 HydrophobicContact CB-CB 4.37Å; P1209-M1285 HydrophobicContact CG-CB 4.11Å; P1209-M1285 HydrophobicContact CG-CE 3.74Å; P1209-M1285 HydrophobicContact CG-SD 4.22Å; K1281-M1285 CarbonylContact C-O 3.58Å; K1281-M1285 VanDerWaalsContact CA-O 3.24Å; K1281-M1285 WeakPolarHBondContact CA-O 3.3Å; F1282-M1285 PolarHBondContact N-O 3.32Å; F1282-M1285 PolarHBondContact O-N 3.43Å; N1283-M1285 HydrophobicContact CB-CE 4.44Å; N1283-M1285 PolarHBondContact O-N 2.82Å; M1285-I1287 PolarHBondContact O-N 2.84Å |
| 1286 | N | 83.7 | Confident | 85.5 | Confident | 67 Ų | 67 | 40.6 Ų | 40.6 | 36% | 0.358 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 135.6 | 171.9 | -75.6 | 17.3 | 0 | 0 | 0 | 110.8 | K1281 S1290 P1291 | K1281-N1286 WeakPolarHBondContact CE-OD1 3.49Å; K1281-N1286 WeakPolarHBondContact CG-OD1 3.26Å; N1286-S1290 PolarHBondContact ND2-O 2.78Å; N1286-P1291 WeakPolarHBondContact ND2-CD 3.36Å |
| 1287 | I | 89.5 | Confident | 84.9 | Confident | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 165.7 | 172.9 | 75.6 | 166.9 | 0 | 0 | 0 | 110.7 | V1212 A1214 V1280 F1282 M1285 G1289 S1290 F1292 | V1212-I1287 HydrophobicContact CB-CB 4.17Å; V1212-I1287 HydrophobicContact CB-CG2 3.71Å; V1212-I1287 HydrophobicContact CG1-CB 4.3Å; V1212-I1287 HydrophobicContact CG1-CD1 3.87Å; V1212-I1287 HydrophobicContact CG1-CG2 3.71Å; V1212-I1287 HydrophobicContact CG2-CG2 4.38Å; A1214-I1287 HydrophobicContact CB-CD1 3.71Å; V1280-I1287 HydrophobicContact CB-CD1 3.8Å; V1280-I1287 HydrophobicContact CB-CG1 3.97Å; V1280-I1287 HydrophobicContact CG1-CD1 3.63Å; V1280-I1287 HydrophobicContact CG1-CG1 4.15Å; V1280-I1287 HydrophobicContact CG1-CG2 4.39Å; V1280-I1287 PolarHBondContact O-N 2.94Å; F1282-I1287 HydrophobicContact CB-CG2 4.01Å; M1285-I1287 PolarHBondContact O-N 2.84Å; I1287-G1289 PolarHBondContact O-N 2.88Å; I1287-S1290 WeakPolarHBondContact O-CB 3.45Å; I1287-S1290 PolarHBondContact O-N 3.22Å; I1287-F1292 HydrophobicContact CD1-CE2 4.05Å; I1287-F1292 HydrophobicContact CD1-CZ 4.09Å; I1287-F1292 HydrophobicContact CG1-CE2 4.15Å; I1287-F1292 HydrophobicContact CG1-CZ 4.3Å |
| 1288 | P | 79.6 | Confident | 83.9 | Confident | 73 Ų | 73 | 49.7 Ų | 49.7 | 47% | 0.474 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 122 | 172.5 | -25.4 | 35.2 | 0 | 0 | 0 | 111.9 | P1209 F1292 | P1209-P1288 VanDerWaalsContact O-CD 3.28Å; P1209-P1288 WeakPolarHBondContact O-CD 3.42Å; P1288-F1292 WeakPolarHBondContact O-CZ 3.35Å |
| 1289 | G | 80.6 | Confident | 82.7 | Confident | 51 Ų | 51 | 52.6 Ų | 52.6 | 53% | 0.526 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.8 | -11.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | I1287 P1291 F1292 | I1287-G1289 PolarHBondContact O-N 2.88Å; G1289-P1291 CarbonylContact O-C 3.54Å; G1289-P1291 VanDerWaalsContact O-O 3.12Å; G1289-F1292 WeakPolarHBondContact O-CD1 3.47Å; G1289-F1292 WeakPolarHBondContact O-CG 3.26Å; G1289-F1292 PolarHBondContact O-N 3.18Å |
| 1290 | S | 88.8 | Confident | 81.6 | Confident | 15 Ų | 15 | 52.9 Ų | 52.9 | 11% | 0.105 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -89.2 | 134.7 | -177.7 | 173.4 | 0 | 0 | 0 | 0 | 113.5 | V1280 N1286 I1287 | V1280-S1290 PolarHBondContact N-OG 2.79Å; V1280-S1290 WeakPolarHBondContact O-CB 3.28Å; V1280-S1290 PolarHBondContact O-OG 3.18Å; N1286-S1290 PolarHBondContact ND2-O 2.78Å; I1287-S1290 WeakPolarHBondContact O-CB 3.45Å; I1287-S1290 PolarHBondContact O-N 3.22Å |
| 1291 | P | 86.6 | Confident | 80.7 | Confident | 27 Ų | 27 | 54.8 Ų | 54.8 | 18% | 0.175 | 30% | 0.297 | C | S | . | . | S | Bend | cis | -72.1 | 137.7 | -3.3 | 30.2 | -34.8 | 0 | 0 | 0 | 112.5 | D1277 I1278 F1279 N1286 G1289 | D1277-P1291 HydrophobicContact CB-CB 4.29Å; I1278-P1291 CarbonylContact O-C 3.49Å; I1278-P1291 VanDerWaalsContact O-CA 3.26Å; I1278-P1291 WeakPolarHBondContact O-CA 3.38Å; F1279-P1291 HydrophobicContact CD1-CB 3.79Å; F1279-P1291 HydrophobicContact CD1-CG 4.16Å; F1279-P1291 HydrophobicContact CD2-CB 4.03Å; F1279-P1291 HydrophobicContact CE1-CB 3.77Å; F1279-P1291 HydrophobicContact CE1-CG 3.71Å; F1279-P1291 HydrophobicContact CE2-CB 3.98Å; F1279-P1291 HydrophobicContact CE2-CG 4.48Å; F1279-P1291 HydrophobicContact CG-CB 3.93Å; F1279-P1291 HydrophobicContact CZ-CB 3.86Å; F1279-P1291 HydrophobicContact CZ-CG 3.89Å; N1286-P1291 WeakPolarHBondContact ND2-CD 3.36Å; G1289-P1291 CarbonylContact O-C 3.54Å; G1289-P1291 VanDerWaalsContact O-O 3.12Å |
| 1292 | F | 89.2 | Confident | 80.1 | Confident | 33 Ų | 33 | 52.4 Ų | 52.4 | 15% | 0.145 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 127.7 | 174.3 | -60.3 | -94 | 0 | 0 | 0 | 108.9 | A1214 L1219 I1278 V1280 I1287 P1288 G1289 V1294 | A1214-F1292 HydrophobicContact CB-CE2 3.88Å; A1214-F1292 HydrophobicContact CB-CZ 3.84Å; L1219-F1292 HydrophobicContact CB-CD1 4.4Å; L1219-F1292 HydrophobicContact CD1-CD1 4.17Å; L1219-F1292 HydrophobicContact CD1-CD2 4.47Å; L1219-F1292 HydrophobicContact CD1-CE1 4.18Å; L1219-F1292 HydrophobicContact CD1-CE2 4.49Å; L1219-F1292 HydrophobicContact CD1-CG 4.34Å; L1219-F1292 HydrophobicContact CD1-CZ 4.36Å; L1219-F1292 HydrophobicContact CD2-CB 4Å; L1219-F1292 HydrophobicContact CD2-CD2 4.1Å; L1219-F1292 HydrophobicContact CD2-CG 3.97Å; I1278-F1292 HydrophobicContact CB-CB 4.39Å; I1278-F1292 PolarHBondContact N-O 2.87Å; I1278-F1292 PolarHBondContact O-N 2.74Å; V1280-F1292 HydrophobicContact CB-CE2 4.15Å; V1280-F1292 HydrophobicContact CG2-CD2 4.03Å; V1280-F1292 HydrophobicContact CG2-CE2 3.83Å; I1287-F1292 HydrophobicContact CD1-CE2 4.05Å; I1287-F1292 HydrophobicContact CD1-CZ 4.09Å; I1287-F1292 HydrophobicContact CG1-CE2 4.15Å; I1287-F1292 HydrophobicContact CG1-CZ 4.3Å; P1288-F1292 WeakPolarHBondContact O-CZ 3.35Å; G1289-F1292 WeakPolarHBondContact O-CD1 3.47Å; G1289-F1292 WeakPolarHBondContact O-CG 3.26Å; G1289-F1292 PolarHBondContact O-N 3.18Å; F1292-V1294 HydrophobicContact CB-CG2 4.39Å |
| 1293 | Q | 88.6 | Confident | 79.8 | Confident | 70 Ų | 70 | 57 Ų | 57 | 33% | 0.327 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 104.8 | 179.8 | -64.4 | -147.4 | -48.1 | 0 | 0 | 110.6 | T1275 D1277 | T1275-Q1293 HydrophobicContact CG2-CB 3.86Å; D1277-Q1293 WeakPolarHBondContact OD1-CG 3.31Å; D1277-Q1293 PolarHBondContact OD1-NE2 2.8Å |
| 1294 | V | 88.3 | Confident | 79.9 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 113.4 | -170.9 | -166.2 | 0 | 0 | 0 | 0 | 110.9 | Y1268 T1275 Y1276 I1278 F1292 I1296 | Y1268-V1294 WeakPolarHBondContact OH-CG1 3.48Å; T1275-V1294 WeakPolarHBondContact CA-O 3.34Å; Y1276-V1294 PolarHBondContact N-O 3.12Å; Y1276-V1294 PolarHBondContact O-N 3.35Å; I1278-V1294 HydrophobicContact CD1-CB 4.31Å; I1278-V1294 HydrophobicContact CD1-CG2 3.56Å; I1278-V1294 HydrophobicContact CG1-CG2 3.85Å; F1292-V1294 HydrophobicContact CB-CG2 4.39Å; V1294-I1296 HydrophobicContact CG1-CD1 4.11Å; V1294-I1296 PolarHBondContact O-N 3.31Å; V1294-I1296 VanDerWaalsContact O-N 3.17Å |
| 1295 | P | 83.8 | Confident | 80.3 | Confident | 46 Ų | 46 | 52.3 Ų | 52.3 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 97.7 | -180 | 31.3 | -33.8 | 0 | 0 | 0 | 111.1 | ||
| 1296 | I | 84.6 | Confident | 80.8 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 135.1 | 171.8 | -57 | -57 | 0 | 0 | 0 | 109.9 | G1222 T1224 Q1228 Y1268 P1270 G1274 Y1276 V1294 | G1222-I1296 WeakPolarHBondContact O-CA 3.36Å; T1224-I1296 HydrophobicContact CG2-CG2 3.8Å; Q1228-I1296 HydrophobicContact CG-CD1 4.01Å; Y1268-I1296 HydrophobicContact CE2-CD1 4.31Å; P1270-I1296 HydrophobicContact CB-CB 4.42Å; P1270-I1296 HydrophobicContact CB-CG1 3.97Å; P1270-I1296 HydrophobicContact CB-CG2 3.93Å; P1270-I1296 HydrophobicContact CG-CB 4.46Å; P1270-I1296 HydrophobicContact CG-CD1 3.99Å; P1270-I1296 HydrophobicContact CG-CG1 3.92Å; P1270-I1296 HydrophobicContact CG-CG2 3.76Å; G1274-I1296 PolarHBondContact N-O 3.1Å; G1274-I1296 PolarHBondContact O-N 2.75Å; Y1276-I1296 HydrophobicContact CD2-CB 4.03Å; Y1276-I1296 HydrophobicContact CD2-CG1 3.51Å; Y1276-I1296 HydrophobicContact CE2-CB 4.17Å; Y1276-I1296 HydrophobicContact CE2-CG1 3.96Å; Y1276-I1296 HydrophobicContact CG-CG1 4.48Å; V1294-I1296 HydrophobicContact CG1-CD1 4.11Å; V1294-I1296 PolarHBondContact O-N 3.31Å; V1294-I1296 VanDerWaalsContact O-N 3.17Å |
| 1297 | R | 74.1 | Confident | 81.2 | Confident | 153 Ų | 153 | 52.1 Ų | 52.1 | 58% | 0.577 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 167.6 | 179.7 | -55.4 | -178.3 | -168.5 | 170.8 | 5.9 | 110 | G1222 F1223 T1224 | G1222-R1297 PolarHBondContact O-N 3.06Å; F1223-R1297 CarbonylContact C-O 3.58Å; F1223-R1297 WeakPolarHBondContact CA-O 3.41Å; F1223-R1297 HydrophobicContact CD1-CB 4.19Å; F1223-R1297 HydrophobicContact CE1-CB 4.32Å; T1224-R1297 PolarHBondContact N-O 2.68Å |
| 1298 | D | 67.3 | Low | 81.2 | Confident | 66 Ų | 66 | 57 Ų | 57 | 35% | 0.353 | 29% | 0.294 | S | S | . | . | trans | -86.2 | 141.1 | 170.2 | -67.9 | -51.7 | 0 | 0 | 0 | 110.8 | T1224 A1273 V1300 G1333 | T1224-D1298 WeakPolarHBondContact CB-OD1 3.49Å; T1224-D1298 WeakPolarHBondContact CG2-OD1 3.41Å; T1224-D1298 WeakPolarHBondContact OG1-CA 3.44Å; T1224-D1298 PolarHBondContact OG1-OD1 3.45Å; A1273-D1298 WeakPolarHBondContact CB-OD2 3.27Å; D1298-V1300 PolarHBondContact O-N 3.01Å; D1298-G1333 WeakPolarHBondContact O-CA 3.3Å | ||
| 1299 | V | 67.2 | Low | 81.6 | Confident | 63 Ų | 63 | 54.3 Ų | 54.3 | 38% | 0.382 | 28% | 0.28 | S | S | . | . | trans | -58.7 | 134.3 | 176.9 | -177.9 | 0 | 0 | 0 | 0 | 110.1 | F1223 E1226 D1301 A1332 G1333 | F1223-V1299 HydrophobicContact CB-CG2 3.59Å; F1223-V1299 HydrophobicContact CD1-CG2 4.33Å; F1223-V1299 HydrophobicContact CG-CG2 4.03Å; E1226-V1299 HydrophobicContact CG-CG2 4.41Å; V1299-D1301 PolarHBondContact O-N 3.38Å; V1299-A1332 CarbonylContact O-C 3.45Å; V1299-G1333 VanDerWaalsContact O-CA 3.24Å; V1299-G1333 WeakPolarHBondContact O-CA 3.35Å; V1299-G1333 PolarHBondContact O-N 2.65Å | ||
| 1300 | V | 67.1 | Low | 81.5 | Confident | 49 Ų | 49 | 55.4 Ų | 55.4 | 30% | 0.297 | 28% | 0.278 | S | S | . | . | trans | -82 | 105.4 | -178 | -176.9 | 0 | 0 | 0 | 0 | 110.7 | D1298 A1332 A1335 Q1381 A1382 | D1298-V1300 PolarHBondContact O-N 3.01Å; V1300-A1332 WeakPolarHBondContact CA-O 3.49Å; V1300-A1335 HydrophobicContact CB-CB 4.32Å; V1300-A1335 HydrophobicContact CG1-CB 3.54Å; V1300-A1335 HydrophobicContact CG2-CB 3.72Å; V1300-Q1381 HydrophobicContact CG1-CG 4.07Å; V1300-A1382 HydrophobicContact CG1-CB 4.09Å | ||
| 1301 | D | 72.3 | Confident | 81.4 | Confident | 41 Ų | 41 | 54.7 Ų | 54.7 | 22% | 0.219 | 27% | 0.273 | C | S | . | . | trans | -120.8 | 93.5 | -178.8 | -178.2 | -8.2 | 0 | 0 | 0 | 111 | V1299 T1303 R1304 A1332 | V1299-D1301 PolarHBondContact O-N 3.38Å; D1301-T1303 PolarHBondContact O-N 2.92Å; D1301-T1303 WeakPolarHBondContact OD1-CA 3.08Å; D1301-T1303 VanDerWaalsContact OD1-CB 3.31Å; D1301-T1303 WeakPolarHBondContact OD1-CB 3.21Å; D1301-T1303 PolarHBondContact OD1-N 2.65Å; D1301-T1303 PolarHBondContact OD1-OG1 2.87Å; D1301-T1303 PolarHBondContact OD2-OG1 2.81Å; D1301-R1304 HydrophobicContact CB-CG 4.22Å; D1301-R1304 PolarHBondContact O-N 2.78Å; D1301-R1304 VanDerWaalsContact OD2-CD 3.3Å; D1301-R1304 WeakPolarHBondContact OD2-CD 3.38Å; D1301-R1304 WeakPolarHBondContact OD2-CG 3.46Å; D1301-R1304 IonicContact OD2-CZ 3.73Å; D1301-R1304 IonicContact OD2-NE 2.97Å; D1301-R1304 PolarHBondContact OD2-NE 3.03Å; D1301-A1332 PolarHBondContact N-O 2.88Å; D1301-A1332 VanDerWaalsContact O-CB 3.31Å; D1301-A1332 WeakPolarHBondContact O-CB 3.49Å | ||
| 1302 | P | 74.2 | Confident | 81.5 | Confident | 20 Ų | 20 | 55 Ų | 55 | 13% | 0.13 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -15 | 178.4 | -25.2 | 34.7 | 0 | 0 | 0 | 115.1 | Q1381 N1384 V1386 A1387 | P1302-Q1381 HydrophobicContact CB-CB 4.26Å; P1302-Q1381 HydrophobicContact CG-CB 4.23Å; P1302-N1384 HydrophobicContact CB-CB 4.49Å; P1302-N1384 HydrophobicContact CG-CB 4.1Å; P1302-V1386 HydrophobicContact CB-CG1 4.37Å; P1302-V1386 VanDerWaalsContact O-CA 3.3Å; P1302-V1386 WeakPolarHBondContact O-CA 3.5Å; P1302-V1386 WeakPolarHBondContact O-CB 3.35Å; P1302-A1387 PolarHBondContact O-N 2.8Å |
| 1303 | T | 77.3 | Confident | 81.1 | Confident | 102 Ų | 102 | 58.9 Ų | 58.9 | 63% | 0.626 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -25.4 | 178.5 | 77.4 | 0 | 0 | 0 | 0 | 112.5 | D1301 V1305 | D1301-T1303 PolarHBondContact O-N 2.92Å; D1301-T1303 WeakPolarHBondContact OD1-CA 3.08Å; D1301-T1303 VanDerWaalsContact OD1-CB 3.31Å; D1301-T1303 WeakPolarHBondContact OD1-CB 3.21Å; D1301-T1303 PolarHBondContact OD1-N 2.65Å; D1301-T1303 PolarHBondContact OD1-OG1 2.87Å; D1301-T1303 PolarHBondContact OD2-OG1 2.81Å; T1303-V1305 VanDerWaalsContact C-N 3.32Å |
| 1304 | R | 81.8 | Confident | 80.2 | Confident | 113 Ų | 113 | 61.4 Ų | 61.4 | 43% | 0.426 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -13.9 | 175.4 | -67.8 | 175.8 | -168.5 | -132 | -5.8 | 113.3 | D1301 R1306 Q1331 A1332 | D1301-R1304 HydrophobicContact CB-CG 4.22Å; D1301-R1304 PolarHBondContact O-N 2.78Å; D1301-R1304 VanDerWaalsContact OD2-CD 3.3Å; D1301-R1304 WeakPolarHBondContact OD2-CD 3.38Å; D1301-R1304 WeakPolarHBondContact OD2-CG 3.46Å; D1301-R1304 IonicContact OD2-CZ 3.73Å; D1301-R1304 IonicContact OD2-NE 2.97Å; D1301-R1304 PolarHBondContact OD2-NE 3.03Å; R1304-R1306 PolarHBondContact O-N 2.66Å; R1304-Q1331 WeakPolarHBondContact CB-O 3.25Å; R1304-Q1331 WeakPolarHBondContact CD-O 3.32Å; R1304-A1332 HydrophobicContact CB-CB 3.91Å |
| 1305 | V | 84.7 | Confident | 79.5 | Confident | 2 Ų | 2 | 70.5 Ų | 70.5 | 1% | 0.012 | 35% | 0.348 | C | S | . | . | trans | -67.1 | 123.2 | 176.2 | -177.7 | 0 | 0 | 0 | 0 | 110.5 | T1303 V1327 D1328 A1329 A1332 I1337 Q1381 V1386 | T1303-V1305 VanDerWaalsContact C-N 3.32Å; V1305-V1327 HydrophobicContact CG1-CG1 3.35Å; V1305-D1328 CarbonylContact C-O 3.51Å; V1305-D1328 WeakPolarHBondContact CA-O 3.41Å; V1305-A1329 HydrophobicContact CG1-CB 4.27Å; V1305-A1329 HydrophobicContact CG2-CB 3.9Å; V1305-A1332 HydrophobicContact CB-CB 4.43Å; V1305-A1332 HydrophobicContact CG2-CB 3.43Å; V1305-A1332 VanDerWaalsContact CG2-CB 3.43Å; V1305-I1337 HydrophobicContact CG1-CD1 4.38Å; V1305-I1337 HydrophobicContact CG2-CD1 4.47Å; V1305-Q1381 HydrophobicContact CG2-CB 4.44Å; V1305-V1386 HydrophobicContact CB-CB 3.98Å; V1305-V1386 HydrophobicContact CB-CG1 3.8Å; V1305-V1386 HydrophobicContact CG1-CB 4.22Å; V1305-V1386 HydrophobicContact CG1-CG1 3.91Å; V1305-V1386 HydrophobicContact CG2-CG1 3.98Å | ||
| 1306 | R | 87.7 | Confident | 79.2 | Confident | 142 Ų | 142 | 69.8 Ų | 69.8 | 54% | 0.536 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 112.1 | 179.3 | -64.9 | -179.1 | -66.8 | -146 | -2.6 | 110.9 | R1304 Y1308 D1328 | R1304-R1306 PolarHBondContact O-N 2.66Å; R1306-Y1308 HydrophobicContact CB-CD1 4.27Å; R1306-Y1308 HydrophobicContact CB-CE1 4.47Å; R1306-D1328 HydrophobicContact CB-CB 4.34Å; R1306-D1328 IonicContact CZ-OD2 2.69Å; R1306-D1328 PolarHBondContact N-O 2.79Å; R1306-D1328 IonicContact NE-OD2 2.64Å; R1306-D1328 PolarHBondContact NE-OD2 3.05Å; R1306-D1328 VanDerWaalsContact NE-OD2 3.1Å; R1306-D1328 IonicContact NH2-OD2 3.17Å; R1306-D1328 PolarHBondContact NH2-OD2 2.87Å; R1306-D1328 PolarHBondContact O-N 2.63Å |
| 1307 | C | 91.5 | Very high | 79.1 | Confident | 20 Ų | 20 | 69.8 Ų | 69.8 | 14% | 0.135 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 126.7 | 170.2 | -50.4 | 0 | 0 | 0 | 0 | 110.6 | L1312 F1325 T1326 F1391 | C1307-L1312 HydrophobicContact CB-CD1 3.65Å; C1307-F1325 HydrophobicContact CB-CD2 4.25Å; C1307-F1325 HydrophobicContact CB-CE2 4.22Å; C1307-T1326 WeakPolarHBondContact CA-O 3.47Å; C1307-F1391 HydrophobicContact CB-CE1 4.39Å; C1307-F1391 HydrophobicContact CB-CE2 4.06Å; C1307-F1391 HydrophobicContact CB-CZ 3.63Å |
| 1308 | Y | 90.9 | Very high | 79.7 | Confident | 107 Ų | 107 | 64 Ų | 64 | 42% | 0.42 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 153.8 | 179.5 | 57.8 | -93.4 | 0 | 0 | 0 | 112 | R1306 T1326 D1328 | R1306-Y1308 HydrophobicContact CB-CD1 4.27Å; R1306-Y1308 HydrophobicContact CB-CE1 4.47Å; Y1308-T1326 HydrophobicContact CE1-CG2 4.38Å; Y1308-T1326 HydrophobicContact CE2-CG2 4.11Å; Y1308-T1326 PolarHBondContact N-O 3.49Å; Y1308-T1326 PolarHBondContact O-N 2.95Å; Y1308-D1328 HydrophobicContact CE1-CB 3.72Å |
| 1309 | G | 86 | Confident | 80.4 | Confident | 17 Ų | 17 | 61.1 Ų | 61.1 | 18% | 0.175 | 31% | 0.314 | C | S | . | . | S | Bend | trans | 128.3 | 167.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | G1311 L1312 | G1309-G1311 VanDerWaalsContact C-N 3.27Å; G1309-G1311 PolarHBondContact O-N 3.47Å; G1309-G1311 VanDerWaalsContact O-N 3.13Å; G1309-L1312 PolarHBondContact O-N 2.81Å |
| 1310 | P | 79.3 | Confident | 81.2 | Confident | 74 Ų | 74 | 64.1 Ų | 64.1 | 48% | 0.481 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -59.5 | -33.4 | -164.1 | 21.4 | -33.2 | 0 | 0 | 0 | 113.6 | L1312 E1313 G1316 H1324 | P1310-L1312 PolarHBondContact O-N 3.42Å; P1310-E1313 PolarHBondContact O-N 2.89Å; P1310-G1316 CarbonylContact O-C 3.51Å; P1310-G1316 VanDerWaalsContact O-CA 3.28Å; P1310-G1316 WeakPolarHBondContact O-CA 3.46Å; P1310-H1324 WeakPolarHBondContact CD-O 3.09Å |
| 1311 | G | 87.2 | Confident | 81.9 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -59.8 | -15.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | G1309 H1324 Y1367 Q1393 | G1309-G1311 VanDerWaalsContact C-N 3.27Å; G1309-G1311 PolarHBondContact O-N 3.47Å; G1309-G1311 VanDerWaalsContact O-N 3.13Å; G1311-H1324 WeakPolarHBondContact CA-O 3.28Å; G1311-H1324 PolarHBondContact N-O 3.22Å; G1311-Y1367 PolarHBondContact O-OH 2.81Å; G1311-Q1393 PolarHBondContact O-NE2 2.81Å |
| 1312 | L | 88.2 | Confident | 82.6 | Confident | 34 Ų | 34 | 64.3 Ų | 64.3 | 18% | 0.178 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -107.2 | -3.2 | 174.3 | -58.5 | -179.4 | 0 | 0 | 0 | 113.6 | C1307 G1309 P1310 F1325 I1377 F1391 | C1307-L1312 HydrophobicContact CB-CD1 3.65Å; G1309-L1312 PolarHBondContact O-N 2.81Å; P1310-L1312 PolarHBondContact O-N 3.42Å; L1312-F1325 HydrophobicContact CD1-CB 4.18Å; L1312-F1325 HydrophobicContact CD1-CD2 3.59Å; L1312-F1325 HydrophobicContact CD1-CE2 4Å; L1312-F1325 HydrophobicContact CD1-CG 3.89Å; L1312-F1325 HydrophobicContact CD2-CD1 4.17Å; L1312-F1325 HydrophobicContact CD2-CE1 4.26Å; L1312-F1325 HydrophobicContact CD2-CG 4.3Å; L1312-F1325 HydrophobicContact CD2-CZ 4.45Å; L1312-F1325 HydrophobicContact CG-CB 3.95Å; L1312-F1325 HydrophobicContact CG-CD1 4.13Å; L1312-F1325 HydrophobicContact CG-CD2 4.03Å; L1312-F1325 HydrophobicContact CG-CG 3.79Å; L1312-I1377 HydrophobicContact CD2-CB 4.37Å; L1312-I1377 HydrophobicContact CD2-CD1 4.16Å; L1312-I1377 HydrophobicContact CD2-CG1 4.38Å; L1312-F1391 HydrophobicContact CD1-CD1 4.14Å; L1312-F1391 HydrophobicContact CD1-CD2 4.42Å; L1312-F1391 HydrophobicContact CD1-CE1 4.08Å; L1312-F1391 HydrophobicContact CD1-CE2 4.38Å; L1312-F1391 HydrophobicContact CD1-CG 4.32Å; L1312-F1391 HydrophobicContact CD1-CZ 4.23Å; L1312-F1391 HydrophobicContact CD2-CB 3.95Å; L1312-F1391 HydrophobicContact CD2-CD1 4.35Å; L1312-F1391 HydrophobicContact CD2-CD2 4.18Å; L1312-F1391 HydrophobicContact CD2-CG 3.91Å |
| 1313 | E | 80.9 | Confident | 83.2 | Confident | 113 Ų | 113 | 63.6 Ų | 63.6 | 53% | 0.528 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -85.5 | 146.8 | -178.7 | -67.6 | -179.8 | -170.4 | 0 | 0 | 111.9 | P1310 R1315 G1316 Q1393 | P1310-E1313 PolarHBondContact O-N 2.89Å; E1313-R1315 PolarHBondContact O-N 2.86Å; E1313-R1315 VanDerWaalsContact O-N 3.07Å; E1313-G1316 PolarHBondContact O-N 2.72Å; E1313-Q1393 PolarHBondContact O-NE2 2.95Å; E1313-Q1393 PolarHBondContact O-OE1 3.41Å |
| 1314 | P | 70.2 | Confident | 83.9 | Confident | 123 Ų | 123 | 63.3 Ų | 63.3 | 80% | 0.799 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 116.5 | 179.9 | -25.3 | 34.8 | 0 | 0 | 0 | 112.6 | ||
| 1315 | R | 73.8 | Confident | 84.5 | Confident | 191 Ų | 191 | 58 Ų | 58 | 72% | 0.721 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 1.5 | -172.2 | -57.4 | 176.3 | 166 | 174.4 | -3.8 | 116.8 | E1313 A1317 L1396 | E1313-R1315 PolarHBondContact O-N 2.86Å; E1313-R1315 VanDerWaalsContact O-N 3.07Å; R1315-A1317 PolarHBondContact O-N 2.96Å; R1315-A1317 VanDerWaalsContact O-N 3.13Å; R1315-L1396 HydrophobicContact CB-CD1 3.9Å; R1315-L1396 HydrophobicContact CB-CG 4.46Å; R1315-L1396 HydrophobicContact CG-CD1 4.28Å |
| 1316 | G | 77.1 | Confident | 84.9 | Confident | 32 Ų | 32 | 58.6 Ų | 58.6 | 33% | 0.33 | 30% | 0.297 | S | S | . | . | trans | -77.1 | 13.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116 | P1310 E1313 | P1310-G1316 CarbonylContact O-C 3.51Å; P1310-G1316 VanDerWaalsContact O-CA 3.28Å; P1310-G1316 WeakPolarHBondContact O-CA 3.46Å; E1313-G1316 PolarHBondContact O-N 2.72Å | ||
| 1317 | A | 82.6 | Confident | 85.2 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 3% | 0.025 | 27% | 0.271 | C | S | . | . | trans | -131.5 | 135.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | R1315 A1323 Q1393 V1395 L1396 | R1315-A1317 PolarHBondContact O-N 2.96Å; R1315-A1317 VanDerWaalsContact O-N 3.13Å; A1317-A1323 HydrophobicContact CB-CB 3.94Å; A1317-Q1393 HydrophobicContact CB-CG 3.89Å; A1317-V1395 HydrophobicContact CB-CG2 4.41Å; A1317-V1395 WeakPolarHBondContact O-CA 3.34Å; A1317-L1396 PolarHBondContact O-N 2.99Å | ||
| 1318 | R | 85.9 | Confident | 85.1 | Confident | 31 Ų | 31 | 51.5 Ų | 51.5 | 12% | 0.117 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -122.5 | 146.7 | 174.1 | -82.8 | -179.2 | -177.2 | -88.9 | 9.5 | 110.4 | Q1321 P1369 L1396 P1397 E1400 D1433 A1434 | R1318-Q1321 HydrophobicContact CB-CB 4.35Å; R1318-Q1321 HydrophobicContact CB-CG 4.21Å; R1318-Q1321 VanDerWaalsContact CD-NE2 3.33Å; R1318-Q1321 PolarHBondContact O-N 3.22Å; R1318-P1369 WeakPolarHBondContact O-CG 3.22Å; R1318-L1396 CarbonylContact C-O 3.56Å; R1318-L1396 VanDerWaalsContact CA-O 3.31Å; R1318-L1396 WeakPolarHBondContact CA-O 3.34Å; R1318-L1396 HydrophobicContact CG-CB 3.66Å; R1318-P1397 WeakPolarHBondContact CD-O 3.22Å; R1318-P1397 WeakPolarHBondContact CG-O 3.45Å; R1318-P1397 PolarHBondContact NH1-O 2.93Å; R1318-E1400 IonicContact CZ-OE2 2.67Å; R1318-E1400 IonicContact NH1-OE2 2.88Å; R1318-E1400 PolarHBondContact NH1-OE2 3.17Å; R1318-E1400 IonicContact NH2-OE2 2.68Å; R1318-E1400 PolarHBondContact NH2-OE2 2.63Å; R1318-D1433 PolarHBondContact NH2-O 3.22Å; R1318-A1434 PolarHBondContact NH1-O 2.78Å; R1318-A1434 PolarHBondContact NH2-O 3.35Å |
| 1319 | A | 83.2 | Confident | 84.9 | Confident | 7 Ų | 7 | 46.5 Ų | 46.5 | 6% | 0.058 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 143.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q1321 P1369 D1372 V1395 L1396 A1398 | A1319-Q1321 PolarHBondContact O-N 2.94Å; A1319-Q1321 VanDerWaalsContact O-N 3.09Å; A1319-P1369 CarbonylContact C-O 3.58Å; A1319-P1369 WeakPolarHBondContact CA-O 3.48Å; A1319-D1372 HydrophobicContact CB-CB 4.42Å; A1319-V1395 HydrophobicContact CB-CG1 4.1Å; A1319-V1395 VanDerWaalsContact N-CG1 3.29Å; A1319-L1396 PolarHBondContact N-O 3.1Å; A1319-A1398 WeakPolarHBondContact O-CA 3.41Å; A1319-A1398 VanDerWaalsContact O-CB 3.28Å; A1319-A1398 WeakPolarHBondContact O-CB 3.41Å |
| 1320 | Q | 84.2 | Confident | 84.6 | Confident | 125 Ų | 125 | 48.1 Ų | 48.1 | 58% | 0.584 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 4.7 | -176.3 | -56.3 | -68.5 | -56.3 | 0 | 0 | 115.5 | P1369 D1370 | Q1320-P1369 PolarHBondContact N-O 2.83Å; Q1320-D1370 PolarHBondContact NE2-O 2.81Å |
| 1321 | Q | 80.1 | Confident | 84.4 | Confident | 31 Ų | 31 | 50.6 Ų | 50.6 | 15% | 0.145 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -104.8 | 147.5 | 174.5 | -68.9 | 176 | 30.1 | 0 | 0 | 112 | R1318 A1319 A1323 P1369 A1398 L1436 | R1318-Q1321 HydrophobicContact CB-CB 4.35Å; R1318-Q1321 HydrophobicContact CB-CG 4.21Å; R1318-Q1321 VanDerWaalsContact CD-NE2 3.33Å; R1318-Q1321 PolarHBondContact O-N 3.22Å; A1319-Q1321 PolarHBondContact O-N 2.94Å; A1319-Q1321 VanDerWaalsContact O-N 3.09Å; Q1321-A1323 PolarHBondContact O-N 2.79Å; Q1321-P1369 VanDerWaalsContact O-CD 3.3Å; Q1321-P1369 WeakPolarHBondContact O-CD 3.49Å; Q1321-A1398 PolarHBondContact NE2-O 3.02Å; Q1321-L1436 HydrophobicContact CG-CB 4.09Å; Q1321-L1436 HydrophobicContact CG-CD1 4.47Å |
| 1322 | P | 86.9 | Confident | 83.6 | Confident | 63 Ų | 63 | 50.6 Ų | 50.6 | 41% | 0.409 | 26% | 0.262 | S | S | . | . | trans | -66.2 | 115.8 | 166.1 | 28.3 | -32.9 | 0 | 0 | 0 | 110.5 | T1366 Y1367 V1368 | P1322-T1366 HydrophobicContact CB-CG2 3.43Å; P1322-T1366 VanDerWaalsContact CB-CG2 3.43Å; P1322-Y1367 WeakPolarHBondContact CA-O 3.34Å; P1322-V1368 HydrophobicContact CB-CG2 4.39Å | ||
| 1323 | A | 87.6 | Confident | 82.5 | Confident | 6 Ų | 6 | 49.4 Ų | 49.4 | 5% | 0.05 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 123.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109 | A1317 Q1321 T1366 Y1367 | A1317-A1323 HydrophobicContact CB-CB 3.94Å; Q1321-A1323 PolarHBondContact O-N 2.79Å; A1323-T1366 WeakPolarHBondContact O-CA 3.49Å; A1323-Y1367 HydrophobicContact CB-CD1 4.1Å; A1323-Y1367 HydrophobicContact CB-CD2 4.16Å; A1323-Y1367 HydrophobicContact CB-CE1 3.68Å; A1323-Y1367 HydrophobicContact CB-CE2 3.75Å; A1323-Y1367 HydrophobicContact CB-CG 4.35Å; A1323-Y1367 VanDerWaalsContact CB-CZ 3.49Å; A1323-Y1367 PolarHBondContact N-O 3.2Å; A1323-Y1367 WeakPolarHBondContact O-CD1 3.33Å; A1323-Y1367 PolarHBondContact O-N 3.04Å |
| 1324 | H | 92.1 | Very high | 82.1 | Confident | 96 Ų | 96 | 50.2 Ų | 50.2 | 44% | 0.444 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 136.9 | -172.9 | -57 | -75.9 | 0 | 0 | 0 | 112.2 | P1310 G1311 V1365 T1366 | P1310-H1324 WeakPolarHBondContact CD-O 3.09Å; G1311-H1324 WeakPolarHBondContact CA-O 3.28Å; G1311-H1324 PolarHBondContact N-O 3.22Å; H1324-V1365 WeakPolarHBondContact CA-O 3.19Å; H1324-T1366 PolarHBondContact CE1-OG1 2.99Å; H1324-T1366 PolarHBondContact ND1-OG1 3.25Å |
| 1325 | F | 94.6 | Very high | 82.2 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 154.8 | 165.7 | 71.2 | -84.7 | 0 | 0 | 0 | 110.7 | C1307 L1312 V1327 V1339 V1365 Y1367 I1377 V1379 | C1307-F1325 HydrophobicContact CB-CD2 4.25Å; C1307-F1325 HydrophobicContact CB-CE2 4.22Å; L1312-F1325 HydrophobicContact CD1-CB 4.18Å; L1312-F1325 HydrophobicContact CD1-CD2 3.59Å; L1312-F1325 HydrophobicContact CD1-CE2 4Å; L1312-F1325 HydrophobicContact CD1-CG 3.89Å; L1312-F1325 HydrophobicContact CD2-CD1 4.17Å; L1312-F1325 HydrophobicContact CD2-CE1 4.26Å; L1312-F1325 HydrophobicContact CD2-CG 4.3Å; L1312-F1325 HydrophobicContact CD2-CZ 4.45Å; L1312-F1325 HydrophobicContact CG-CB 3.95Å; L1312-F1325 HydrophobicContact CG-CD1 4.13Å; L1312-F1325 HydrophobicContact CG-CD2 4.03Å; L1312-F1325 HydrophobicContact CG-CG 3.79Å; F1325-V1327 HydrophobicContact CD2-CG2 3.99Å; F1325-V1327 HydrophobicContact CE2-CG2 3.48Å; F1325-V1327 VanDerWaalsContact CE2-CG2 3.48Å; F1325-V1327 HydrophobicContact CZ-CG2 4.41Å; F1325-V1339 HydrophobicContact CE1-CG1 4.35Å; F1325-V1339 HydrophobicContact CZ-CG1 3.91Å; F1325-V1339 HydrophobicContact CZ-CG2 4.4Å; F1325-V1365 HydrophobicContact CD1-CB 4.19Å; F1325-V1365 HydrophobicContact CD1-CG1 4.26Å; F1325-V1365 HydrophobicContact CD2-CB 4.43Å; F1325-V1365 HydrophobicContact CE1-CB 3.97Å; F1325-V1365 HydrophobicContact CE1-CG1 3.62Å; F1325-V1365 HydrophobicContact CE2-CB 4.23Å; F1325-V1365 HydrophobicContact CE2-CG1 4.44Å; F1325-V1365 HydrophobicContact CE2-CG2 4.39Å; F1325-V1365 HydrophobicContact CG-CB 4.43Å; F1325-V1365 HydrophobicContact CZ-CB 4Å; F1325-V1365 HydrophobicContact CZ-CG1 3.73Å; F1325-V1365 HydrophobicContact CZ-CG2 4.44Å; F1325-V1365 PolarHBondContact N-O 2.79Å; F1325-V1365 WeakPolarHBondContact O-CA 3.3Å; F1325-V1365 WeakPolarHBondContact O-CB 3.3Å; F1325-V1365 PolarHBondContact O-N 2.67Å; F1325-V1365 VanDerWaalsContact O-O 3.13Å; F1325-Y1367 HydrophobicContact CD1-CD1 4.12Å; F1325-Y1367 HydrophobicContact CD1-CE1 4.04Å; F1325-Y1367 AromaticContact CE1-CD1 3.88Å; F1325-Y1367 HydrophobicContact CE1-CD1 3.88Å; F1325-Y1367 HydrophobicContact CE1-CE1 4.04Å; F1325-I1377 HydrophobicContact CE1-CG2 4.02Å; F1325-I1377 HydrophobicContact CZ-CG2 3.98Å; F1325-V1379 HydrophobicContact CE2-CG2 3.8Å; F1325-V1379 HydrophobicContact CZ-CG2 3.68Å |
| 1326 | T | 92.9 | Very high | 82.3 | Confident | 14 Ų | 14 | 40.2 Ų | 40.2 | 9% | 0.086 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 140.6 | 176.1 | -56.3 | 0 | 0 | 0 | 0 | 109.8 | C1307 Y1308 R1356 V1362 Y1363 D1364 | C1307-T1326 WeakPolarHBondContact CA-O 3.47Å; Y1308-T1326 HydrophobicContact CE1-CG2 4.38Å; Y1308-T1326 HydrophobicContact CE2-CG2 4.11Å; Y1308-T1326 PolarHBondContact N-O 3.49Å; Y1308-T1326 PolarHBondContact O-N 2.95Å; T1326-R1356 PolarHBondContact OG1-NH2 3.4Å; T1326-V1362 HydrophobicContact CG2-CG1 3.56Å; T1326-Y1363 CarbonylContact C-O 3.53Å; T1326-Y1363 WeakPolarHBondContact CA-O 3.47Å; T1326-D1364 PolarHBondContact OG1-OD1 2.83Å |
| 1327 | V | 93.5 | Very high | 82.8 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 105.3 | 166.9 | 179.2 | 0 | 0 | 0 | 0 | 107.4 | V1305 F1325 I1337 Y1363 V1365 V1379 | V1305-V1327 HydrophobicContact CG1-CG1 3.35Å; F1325-V1327 HydrophobicContact CD2-CG2 3.99Å; F1325-V1327 HydrophobicContact CE2-CG2 3.48Å; F1325-V1327 VanDerWaalsContact CE2-CG2 3.48Å; F1325-V1327 HydrophobicContact CZ-CG2 4.41Å; V1327-I1337 HydrophobicContact CB-CG2 4.49Å; V1327-I1337 HydrophobicContact CG1-CD1 3.9Å; V1327-I1337 HydrophobicContact CG1-CG1 4.05Å; V1327-I1337 HydrophobicContact CG1-CG2 4.07Å; V1327-I1337 HydrophobicContact CG2-CG2 4.49Å; V1327-Y1363 PolarHBondContact N-O 3.07Å; V1327-Y1363 PolarHBondContact O-N 3.47Å; V1327-V1365 HydrophobicContact CB-CG2 4.27Å; V1327-V1365 HydrophobicContact CG2-CG2 3.59Å; V1327-V1379 HydrophobicContact CG1-CG1 4.44Å; V1327-V1379 HydrophobicContact CG2-CG1 4.16Å |
| 1328 | D | 90 | Very high | 83.2 | Confident | 12 Ų | 12 | 44.9 Ų | 44.9 | 6% | 0.064 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 101.4 | 173.2 | 170.2 | 27.4 | 0 | 0 | 0 | 109.5 | V1305 R1306 Y1308 S1330 | V1305-D1328 CarbonylContact C-O 3.51Å; V1305-D1328 WeakPolarHBondContact CA-O 3.41Å; R1306-D1328 HydrophobicContact CB-CB 4.34Å; R1306-D1328 IonicContact CZ-OD2 2.69Å; R1306-D1328 PolarHBondContact N-O 2.79Å; R1306-D1328 IonicContact NE-OD2 2.64Å; R1306-D1328 PolarHBondContact NE-OD2 3.05Å; R1306-D1328 VanDerWaalsContact NE-OD2 3.1Å; R1306-D1328 IonicContact NH2-OD2 3.17Å; R1306-D1328 PolarHBondContact NH2-OD2 2.87Å; R1306-D1328 PolarHBondContact O-N 2.63Å; Y1308-D1328 HydrophobicContact CE1-CB 3.72Å; D1328-S1330 VanDerWaalsContact OD1-CB 3.28Å; D1328-S1330 WeakPolarHBondContact OD1-CB 3.14Å; D1328-S1330 PolarHBondContact OD1-N 2.9Å; D1328-S1330 VanDerWaalsContact OD1-N 3.09Å; D1328-S1330 PolarHBondContact OD1-OG 3.29Å |
| 1329 | A | 86.5 | Confident | 83.5 | Confident | 3 Ų | 3 | 44 Ų | 44 | 3% | 0.025 | 24% | 0.238 | C | C | . | . | trans | -106.1 | 15.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1305 Q1331 A1332 I1337 G1361 Y1363 | V1305-A1329 HydrophobicContact CG1-CB 4.27Å; V1305-A1329 HydrophobicContact CG2-CB 3.9Å; A1329-Q1331 PolarHBondContact O-N 2.81Å; A1329-A1332 HydrophobicContact CB-CB 4.08Å; A1329-A1332 PolarHBondContact O-N 2.81Å; A1329-I1337 HydrophobicContact CB-CD1 4.16Å; A1329-I1337 HydrophobicContact CB-CG1 4.46Å; A1329-G1361 CarbonylContact C-O 3.46Å; A1329-G1361 VanDerWaalsContact CA-O 3.28Å; A1329-G1361 WeakPolarHBondContact CA-O 3.46Å; A1329-G1361 WeakPolarHBondContact CB-O 3.39Å; A1329-G1361 PolarHBondContact N-O 2.98Å; A1329-Y1363 HydrophobicContact CB-CE2 4.22Å | ||
| 1330 | S | 79.5 | Confident | 83.9 | Confident | 51 Ų | 51 | 44.7 Ų | 44.7 | 36% | 0.357 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -1.6 | -177.4 | 68.1 | 0 | 0 | 0 | 0 | 114.9 | D1328 P1360 G1361 | D1328-S1330 VanDerWaalsContact OD1-CB 3.28Å; D1328-S1330 WeakPolarHBondContact OD1-CB 3.14Å; D1328-S1330 PolarHBondContact OD1-N 2.9Å; D1328-S1330 VanDerWaalsContact OD1-N 3.09Å; D1328-S1330 PolarHBondContact OD1-OG 3.29Å; S1330-P1360 WeakPolarHBondContact CB-O 3.38Å; S1330-G1361 PolarHBondContact N-O 2.89Å |
| 1331 | Q | 75.2 | Confident | 84.2 | Confident | 125 Ų | 125 | 39.2 Ų | 39.2 | 58% | 0.584 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -127.5 | 12.7 | 176.5 | -60.8 | -69.8 | -91 | 0 | 0 | 112 | R1304 A1329 | R1304-Q1331 WeakPolarHBondContact CB-O 3.25Å; R1304-Q1331 WeakPolarHBondContact CD-O 3.32Å; A1329-Q1331 PolarHBondContact O-N 2.81Å |
| 1332 | A | 71.2 | Confident | 84.6 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -126.7 | 18.4 | -164.5 | 0 | 0 | 0 | 0 | 0 | 114 | V1299 V1300 D1301 R1304 V1305 A1329 Q1381 | V1299-A1332 CarbonylContact O-C 3.45Å; V1300-A1332 WeakPolarHBondContact CA-O 3.49Å; D1301-A1332 PolarHBondContact N-O 2.88Å; D1301-A1332 VanDerWaalsContact O-CB 3.31Å; D1301-A1332 WeakPolarHBondContact O-CB 3.49Å; R1304-A1332 HydrophobicContact CB-CB 3.91Å; V1305-A1332 HydrophobicContact CB-CB 4.43Å; V1305-A1332 HydrophobicContact CG2-CB 3.43Å; V1305-A1332 VanDerWaalsContact CG2-CB 3.43Å; A1329-A1332 HydrophobicContact CB-CB 4.08Å; A1329-A1332 PolarHBondContact O-N 2.81Å; A1332-Q1381 PolarHBondContact O-NE2 3.24Å; A1332-Q1381 PolarHBondContact O-OE1 3.23Å |
| 1333 | G | 65 | Low | 84.4 | Confident | 10 Ų | 10 | 37.5 Ų | 37.5 | 10% | 0.103 | 21% | 0.209 | C | C | . | . | trans | 76.3 | 152.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | D1298 V1299 A1335 Q1381 | D1298-G1333 WeakPolarHBondContact O-CA 3.3Å; V1299-G1333 VanDerWaalsContact O-CA 3.24Å; V1299-G1333 WeakPolarHBondContact O-CA 3.35Å; V1299-G1333 PolarHBondContact O-N 2.65Å; G1333-A1335 PolarHBondContact O-N 2.97Å; G1333-A1335 VanDerWaalsContact O-N 3.15Å; G1333-Q1381 PolarHBondContact O-NE2 2.73Å | ||
| 1334 | D | 71.7 | Confident | 84 | Confident | 129 Ų | 129 | 47.5 Ų | 47.5 | 69% | 0.69 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -81.7 | 96.1 | -178.7 | -169.5 | 19.3 | 0 | 0 | 0 | 110.9 | ||
| 1335 | A | 72.4 | Confident | 83.4 | Confident | 10 Ų | 10 | 48.4 Ų | 48.4 | 8% | 0.083 | 26% | 0.257 | C | S | . | . | trans | -148.4 | 146.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1300 G1333 I1337 Q1381 A1382 | V1300-A1335 HydrophobicContact CB-CB 4.32Å; V1300-A1335 HydrophobicContact CG1-CB 3.54Å; V1300-A1335 HydrophobicContact CG2-CB 3.72Å; G1333-A1335 PolarHBondContact O-N 2.97Å; G1333-A1335 VanDerWaalsContact O-N 3.15Å; A1335-I1337 PolarHBondContact O-N 2.95Å; A1335-Q1381 HydrophobicContact CB-CG 3.89Å; A1335-A1382 HydrophobicContact CB-CB 4.48Å | ||
| 1336 | P | 76.1 | Confident | 82.6 | Confident | 95 Ų | 95 | 50.9 Ų | 50.9 | 62% | 0.617 | 28% | 0.283 | S | S | * | . | trans | -63.9 | 121.7 | -174.5 | 25.1 | -34.5 | 0 | 0 | 0 | 112.3 | ||||
| 1337 | I | 88.1 | Confident | 82 | Confident | 15 Ų | 15 | 58.3 Ų | 58.3 | 8% | 0.077 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 125.3 | 168.4 | -64.4 | -61.4 | 0 | 0 | 0 | 109.5 | V1305 V1327 A1329 A1335 V1339 V1353 Y1363 V1379 K1380 Q1381 | V1305-I1337 HydrophobicContact CG1-CD1 4.38Å; V1305-I1337 HydrophobicContact CG2-CD1 4.47Å; V1327-I1337 HydrophobicContact CB-CG2 4.49Å; V1327-I1337 HydrophobicContact CG1-CD1 3.9Å; V1327-I1337 HydrophobicContact CG1-CG1 4.05Å; V1327-I1337 HydrophobicContact CG1-CG2 4.07Å; V1327-I1337 HydrophobicContact CG2-CG2 4.49Å; A1329-I1337 HydrophobicContact CB-CD1 4.16Å; A1329-I1337 HydrophobicContact CB-CG1 4.46Å; A1335-I1337 PolarHBondContact O-N 2.95Å; I1337-V1339 HydrophobicContact CG2-CG2 3.93Å; I1337-V1353 HydrophobicContact CG2-CG1 4.34Å; I1337-Y1363 HydrophobicContact CB-CD2 4.36Å; I1337-Y1363 HydrophobicContact CB-CE2 4.42Å; I1337-Y1363 HydrophobicContact CG1-CD2 3.69Å; I1337-Y1363 HydrophobicContact CG1-CE2 3.56Å; I1337-Y1363 HydrophobicContact CG1-CG 4.43Å; I1337-V1379 HydrophobicContact CG2-CG1 4.4Å; I1337-K1380 WeakPolarHBondContact CA-O 3.48Å; I1337-Q1381 HydrophobicContact CD1-CB 3.79Å; I1337-Q1381 HydrophobicContact CD1-CG 3.81Å |
| 1338 | Q | 90.3 | Very high | 81.6 | Confident | 118 Ų | 118 | 63.1 Ų | 63.1 | 55% | 0.551 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 135 | 169.4 | -65.6 | -176.7 | -1.3 | 0 | 0 | 109.4 | K1380 | Q1338-K1380 HydrophobicContact CB-CB 4.41Å; Q1338-K1380 PolarHBondContact N-O 3.07Å; Q1338-K1380 PolarHBondContact O-N 2.63Å |
| 1339 | V | 93.2 | Very high | 81.3 | Confident | 11 Ų | 11 | 64.6 Ų | 64.6 | 7% | 0.067 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 134.7 | 173.8 | -178.1 | 0 | 0 | 0 | 0 | 110.3 | F1325 I1337 A1351 V1353 V1365 I1377 E1378 V1379 | F1325-V1339 HydrophobicContact CE1-CG1 4.35Å; F1325-V1339 HydrophobicContact CZ-CG1 3.91Å; F1325-V1339 HydrophobicContact CZ-CG2 4.4Å; I1337-V1339 HydrophobicContact CG2-CG2 3.93Å; V1339-A1351 HydrophobicContact CB-CB 3.92Å; V1339-A1351 HydrophobicContact CG1-CB 3.64Å; V1339-A1351 PolarHBondContact O-N 3.24Å; V1339-V1353 HydrophobicContact CB-CG2 4.07Å; V1339-V1353 HydrophobicContact CG2-CG2 3.98Å; V1339-V1365 HydrophobicContact CB-CG1 4.06Å; V1339-V1365 HydrophobicContact CG1-CG1 3.91Å; V1339-V1365 HydrophobicContact CG2-CG1 4.01Å; V1339-V1365 HydrophobicContact CG2-CG2 4.24Å; V1339-I1377 HydrophobicContact CG1-CG2 3.79Å; V1339-E1378 VanDerWaalsContact CA-O 3.28Å; V1339-E1378 WeakPolarHBondContact CA-O 3.12Å; V1339-E1378 WeakPolarHBondContact CG1-O 3.4Å; V1339-V1379 HydrophobicContact CG1-CG2 4.18Å; V1339-V1379 HydrophobicContact CG2-CB 4.32Å; V1339-V1379 HydrophobicContact CG2-CG1 4.01Å; V1339-V1379 HydrophobicContact CG2-CG2 3.95Å |
| 1340 | A | 91.2 | Very high | 81.2 | Confident | 22 Ų | 22 | 70.1 Ų | 70.1 | 18% | 0.182 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 148.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A1349 E1378 | A1340-A1349 CarbonylContact C-O 3.56Å; A1340-A1349 WeakPolarHBondContact CA-O 3.17Å; A1340-E1378 PolarHBondContact N-O 3.47Å; A1340-E1378 PolarHBondContact O-N 2.97Å |
| 1341 | T | 90.5 | Very high | 81.7 | Confident | 11 Ų | 11 | 68.5 Ų | 68.5 | 7% | 0.067 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 148.8 | 169.5 | 54.7 | 0 | 0 | 0 | 0 | 110.7 | T1348 A1349 Y1367 Q1376 I1377 | T1341-T1348 CarbonylContact O-C 3.47Å; T1341-T1348 VanDerWaalsContact O-CA 3.24Å; T1341-T1348 WeakPolarHBondContact O-CA 3.45Å; T1341-A1349 PolarHBondContact N-O 2.99Å; T1341-A1349 PolarHBondContact O-N 3.23Å; T1341-A1349 PolarHBondContact OG1-O 2.88Å; T1341-Y1367 HydrophobicContact CG2-CD1 4.42Å; T1341-Y1367 HydrophobicContact CG2-CD2 3.44Å; T1341-Y1367 VanDerWaalsContact CG2-CD2 3.44Å; T1341-Y1367 HydrophobicContact CG2-CE2 4.09Å; T1341-Y1367 HydrophobicContact CG2-CG 3.62Å; T1341-Q1376 CarbonylContact C-O 3.23Å; T1341-Q1376 VanDerWaalsContact CA-O 3.25Å; T1341-Q1376 WeakPolarHBondContact CA-O 2.99Å; T1341-I1377 HydrophobicContact CG2-CG1 4.21Å |
| 1342 | V | 87.9 | Confident | 82.5 | Confident | 23 Ų | 23 | 68.8 Ų | 68.8 | 14% | 0.139 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 120.7 | 175.7 | -167 | 0 | 0 | 0 | 0 | 108.8 | R1347 T1348 C1375 Q1376 E1378 | V1342-R1347 VanDerWaalsContact CA-O 3.32Å; V1342-R1347 WeakPolarHBondContact CA-O 3.49Å; V1342-T1348 HydrophobicContact CG2-CG2 3.95Å; V1342-C1375 CarbonylContact O-C 3.56Å; V1342-C1375 WeakPolarHBondContact O-CA 3.32Å; V1342-C1375 PolarHBondContact O-SG 2.82Å; V1342-Q1376 HydrophobicContact CB-CB 4.22Å; V1342-Q1376 HydrophobicContact CG2-CB 4.5Å; V1342-Q1376 PolarHBondContact N-O 2.88Å; V1342-Q1376 PolarHBondContact O-N 2.94Å; V1342-E1378 HydrophobicContact CG2-CG 4.17Å |
| 1343 | D | 82.6 | Confident | 83.5 | Confident | 35 Ų | 35 | 70.8 Ų | 70.8 | 19% | 0.187 | 39% | 0.392 | C | S | . | . | trans | -78.7 | 171.5 | 178 | 82.7 | -0.3 | 0 | 0 | 0 | 112.8 | V1345 G1346 R1347 | D1343-V1345 PolarHBondContact O-N 3.26Å; D1343-V1345 VanDerWaalsContact OD1-C 3.27Å; D1343-V1345 VanDerWaalsContact OD1-CA 3.22Å; D1343-V1345 WeakPolarHBondContact OD1-CA 3.23Å; D1343-V1345 WeakPolarHBondContact OD1-CB 3.45Å; D1343-V1345 PolarHBondContact OD1-N 2.87Å; D1343-G1346 PolarHBondContact O-N 2.71Å; D1343-G1346 PolarHBondContact OD1-N 3.48Å; D1343-R1347 PolarHBondContact N-O 3.27Å; D1343-R1347 WeakPolarHBondContact OD1-CB 3.2Å; D1343-R1347 PolarHBondContact OD1-N 3.25Å; D1343-R1347 WeakPolarHBondContact OD2-CD 3.34Å | ||
| 1344 | R | 79 | Confident | 84.5 | Confident | 215 Ų | 215 | 73.4 Ų | 73.4 | 81% | 0.811 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -18.6 | 175.7 | 175.3 | 176.4 | 172.4 | -168.1 | -2.1 | 114.2 | ||
| 1345 | V | 80.5 | Confident | 84.9 | Confident | 115 Ų | 115 | 71.6 Ų | 71.6 | 70% | 0.697 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -0.5 | -178.4 | -147.9 | 0 | 0 | 0 | 0 | 111.8 | D1343 | D1343-V1345 PolarHBondContact O-N 3.26Å; D1343-V1345 VanDerWaalsContact OD1-C 3.27Å; D1343-V1345 VanDerWaalsContact OD1-CA 3.22Å; D1343-V1345 WeakPolarHBondContact OD1-CA 3.23Å; D1343-V1345 WeakPolarHBondContact OD1-CB 3.45Å; D1343-V1345 PolarHBondContact OD1-N 2.87Å |
| 1346 | G | 78.2 | Confident | 85.3 | Confident | 54 Ų | 54 | 74.2 Ų | 74.2 | 56% | 0.557 | 41% | 0.408 | S | S | * | . | trans | 83.2 | 16.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1343 | D1343-G1346 PolarHBondContact O-N 2.71Å; D1343-G1346 PolarHBondContact OD1-N 3.48Å | ||
| 1347 | R | 79.3 | Confident | 85.2 | Confident | 171 Ų | 171 | 74.8 Ų | 74.8 | 65% | 0.645 | 41% | 0.412 | S | S | * | . | trans | -80.1 | 127.6 | 174.6 | -59.3 | -178.9 | 179.7 | 172.2 | 0.4 | 110.6 | V1342 D1343 | V1342-R1347 VanDerWaalsContact CA-O 3.32Å; V1342-R1347 WeakPolarHBondContact CA-O 3.49Å; D1343-R1347 PolarHBondContact N-O 3.27Å; D1343-R1347 WeakPolarHBondContact OD1-CB 3.2Å; D1343-R1347 PolarHBondContact OD1-N 3.25Å; D1343-R1347 WeakPolarHBondContact OD2-CD 3.34Å | ||
| 1348 | T | 84.6 | Confident | 84.3 | Confident | 101 Ų | 101 | 82 Ų | 82 | 62% | 0.62 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 136.6 | 170.3 | 28 | 0 | 0 | 0 | 0 | 112.2 | T1341 V1342 | T1341-T1348 CarbonylContact O-C 3.47Å; T1341-T1348 VanDerWaalsContact O-CA 3.24Å; T1341-T1348 WeakPolarHBondContact O-CA 3.45Å; V1342-T1348 HydrophobicContact CG2-CG2 3.95Å |
| 1349 | A | 83.4 | Confident | 83.7 | Confident | 42 Ų | 42 | 80.7 Ų | 80.7 | 35% | 0.347 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 134.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | A1340 T1341 | A1340-A1349 CarbonylContact C-O 3.56Å; A1340-A1349 WeakPolarHBondContact CA-O 3.17Å; T1341-A1349 PolarHBondContact N-O 2.99Å; T1341-A1349 PolarHBondContact O-N 3.23Å; T1341-A1349 PolarHBondContact OG1-O 2.88Å |
| 1350 | P | 86.2 | Confident | 82.7 | Confident | 120 Ų | 120 | 85.8 Ų | 85.8 | 78% | 0.779 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 142.1 | 179.1 | 30.3 | -34.4 | 0 | 0 | 0 | 111.5 | ||
| 1351 | A | 89.9 | Confident | 82.1 | Confident | 17 Ų | 17 | 85.8 Ų | 85.8 | 14% | 0.14 | 48% | 0.48 | C | S | . | . | trans | -90.1 | 157.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1339 V1353 V1365 | V1339-A1351 HydrophobicContact CB-CB 3.92Å; V1339-A1351 HydrophobicContact CG1-CB 3.64Å; V1339-A1351 PolarHBondContact O-N 3.24Å; A1351-V1353 PolarHBondContact O-N 2.92Å; A1351-V1365 HydrophobicContact CB-CG1 3.99Å | ||
| 1352 | H | 91.7 | Very high | 82 | Confident | 130 Ų | 130 | 85.8 Ų | 85.8 | 60% | 0.602 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 110.3 | 177.1 | -162.5 | -76.2 | 0 | 0 | 0 | 109.8 | V1354 V1365 T1366 | H1352-V1354 VanDerWaalsContact ND1-CG2 3.25Å; H1352-V1354 WeakPolarHBondContact ND1-CG2 3.31Å; H1352-V1365 WeakPolarHBondContact O-CA 3.42Å; H1352-T1366 PolarHBondContact N-O 3.01Å; H1352-T1366 PolarHBondContact O-N 2.88Å |
| 1353 | V | 91.3 | Very high | 82.2 | Confident | 43 Ų | 43 | 86.1 Ų | 86.1 | 26% | 0.261 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 127.1 | -178.5 | -178.7 | 0 | 0 | 0 | 0 | 109 | I1337 V1339 A1351 Y1363 V1365 | I1337-V1353 HydrophobicContact CG2-CG1 4.34Å; V1339-V1353 HydrophobicContact CB-CG2 4.07Å; V1339-V1353 HydrophobicContact CG2-CG2 3.98Å; A1351-V1353 PolarHBondContact O-N 2.92Å; V1353-Y1363 HydrophobicContact CG1-CD1 3.96Å; V1353-Y1363 HydrophobicContact CG1-CG 4.13Å; V1353-V1365 HydrophobicContact CG1-CG2 4.23Å; V1353-V1365 HydrophobicContact CG2-CG1 4.2Å; V1353-V1365 HydrophobicContact CG2-CG2 4.12Å |
| 1354 | V | 87 | Confident | 82.6 | Confident | 65 Ų | 65 | 87.1 Ų | 87.1 | 39% | 0.394 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 126 | -177.7 | -166 | 0 | 0 | 0 | 0 | 110.2 | H1352 R1356 Y1363 D1364 | H1352-V1354 VanDerWaalsContact ND1-CG2 3.25Å; H1352-V1354 WeakPolarHBondContact ND1-CG2 3.31Å; V1354-R1356 PolarHBondContact O-N 3.24Å; V1354-Y1363 CarbonylContact O-C 3.57Å; V1354-Y1363 VanDerWaalsContact O-CA 3.27Å; V1354-Y1363 WeakPolarHBondContact O-CA 3.43Å; V1354-D1364 PolarHBondContact N-O 2.62Å; V1354-D1364 PolarHBondContact O-N 3.23Å |
| 1355 | P | 80.2 | Confident | 83.3 | Confident | 91 Ų | 91 | 76.9 Ų | 76.9 | 59% | 0.591 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 132 | 170.8 | -19.4 | 31.6 | 0 | 0 | 0 | 110.7 | Y1363 | P1355-Y1363 HydrophobicContact CB-CD1 4.24Å; P1355-Y1363 HydrophobicContact CB-CE1 4.34Å; P1355-Y1363 HydrophobicContact CG-CD1 4.1Å; P1355-Y1363 HydrophobicContact CG-CE1 4.09Å |
| 1356 | R | 81 | Confident | 83.9 | Confident | 65 Ų | 65 | 73.1 Ų | 73.1 | 25% | 0.245 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 127.1 | -179.3 | -174.4 | -174.6 | -76.6 | 168.3 | -1.9 | 110.1 | T1326 V1354 N1358 Q1359 V1362 D1364 | T1326-R1356 PolarHBondContact OG1-NH2 3.4Å; V1354-R1356 PolarHBondContact O-N 3.24Å; R1356-N1358 PolarHBondContact O-N 2.96Å; R1356-Q1359 HydrophobicContact CB-CB 4.44Å; R1356-Q1359 HydrophobicContact CG-CB 4.48Å; R1356-Q1359 PolarHBondContact O-N 3.21Å; R1356-V1362 HydrophobicContact CB-CB 4.39Å; R1356-V1362 HydrophobicContact CB-CG1 4.34Å; R1356-V1362 WeakPolarHBondContact CB-O 3.43Å; R1356-V1362 PolarHBondContact N-O 2.97Å; R1356-D1364 IonicContact CZ-OD1 3.34Å; R1356-D1364 IonicContact CZ-OD2 2.82Å; R1356-D1364 IonicContact NE-OD1 3.84Å; R1356-D1364 IonicContact NE-OD2 3.7Å; R1356-D1364 PolarHBondContact NE-OD2 2.93Å; R1356-D1364 IonicContact NH2-OD1 2.76Å; R1356-D1364 PolarHBondContact NH2-OD1 3.01Å; R1356-D1364 IonicContact NH2-OD2 2.68Å; R1356-D1364 PolarHBondContact NH2-OD2 3.43Å |
| 1357 | P | 72.7 | Confident | 84.5 | Confident | 107 Ų | 107 | 70.8 Ų | 70.8 | 70% | 0.695 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 138.7 | -178.7 | 23.8 | -33.4 | 0 | 0 | 0 | 111.5 | Q1359 | P1357-Q1359 PolarHBondContact O-N 2.83Š|
| 1358 | N | 70 | Confident | 84.9 | Confident | 165 Ų | 165 | 66 Ų | 66 | 88% | 0.882 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 12.7 | -176.5 | -54.6 | -21.9 | 0 | 0 | 0 | 116 | R1356 | R1356-N1358 PolarHBondContact O-N 2.96Š|
| 1359 | Q | 77.6 | Confident | 84.8 | Confident | 91 Ų | 91 | 61.5 Ų | 61.5 | 43% | 0.425 | 36% | 0.36 | S | S | . | . | trans | -130.8 | 84.2 | 172.4 | -66.9 | -169 | -17.7 | 0 | 0 | 111.1 | R1356 P1357 V1362 | R1356-Q1359 HydrophobicContact CB-CB 4.44Å; R1356-Q1359 HydrophobicContact CG-CB 4.48Å; R1356-Q1359 PolarHBondContact O-N 3.21Å; P1357-Q1359 PolarHBondContact O-N 2.83Å; Q1359-V1362 HydrophobicContact CB-CB 3.91Å; Q1359-V1362 HydrophobicContact CB-CG2 3.92Å; Q1359-V1362 WeakPolarHBondContact O-CB 3.46Å; Q1359-V1362 PolarHBondContact O-N 3.29Å; Q1359-V1362 VanDerWaalsContact O-N 3.13Å | ||
| 1360 | P | 71.3 | Confident | 84.6 | Confident | 118 Ų | 118 | 64.6 Ų | 64.6 | 77% | 0.766 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 141.1 | 176.8 | -25 | 35.1 | 0 | 0 | 0 | 112.6 | S1330 V1362 | S1330-P1360 WeakPolarHBondContact CB-O 3.38Å; P1360-V1362 PolarHBondContact O-N 2.82Å |
| 1361 | G | 78.7 | Confident | 84.2 | Confident | 23 Ų | 23 | 62.8 Ų | 62.8 | 24% | 0.237 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | -1.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | A1329 S1330 Y1363 | A1329-G1361 CarbonylContact C-O 3.46Å; A1329-G1361 VanDerWaalsContact CA-O 3.28Å; A1329-G1361 WeakPolarHBondContact CA-O 3.46Å; A1329-G1361 WeakPolarHBondContact CB-O 3.39Å; A1329-G1361 PolarHBondContact N-O 2.98Å; S1330-G1361 PolarHBondContact N-O 2.89Å; G1361-Y1363 WeakPolarHBondContact O-CD2 3.4Å; G1361-Y1363 WeakPolarHBondContact O-CE2 3.43Å |
| 1362 | V | 88.8 | Confident | 83.8 | Confident | 10 Ų | 10 | 67 Ų | 67 | 6% | 0.061 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 127.6 | 174.2 | -173.3 | 0 | 0 | 0 | 0 | 109.7 | T1326 R1356 Q1359 P1360 | T1326-V1362 HydrophobicContact CG2-CG1 3.56Å; R1356-V1362 HydrophobicContact CB-CB 4.39Å; R1356-V1362 HydrophobicContact CB-CG1 4.34Å; R1356-V1362 WeakPolarHBondContact CB-O 3.43Å; R1356-V1362 PolarHBondContact N-O 2.97Å; Q1359-V1362 HydrophobicContact CB-CB 3.91Å; Q1359-V1362 HydrophobicContact CB-CG2 3.92Å; Q1359-V1362 WeakPolarHBondContact O-CB 3.46Å; Q1359-V1362 PolarHBondContact O-N 3.29Å; Q1359-V1362 VanDerWaalsContact O-N 3.13Å; P1360-V1362 PolarHBondContact O-N 2.82Å |
| 1363 | Y | 91.8 | Very high | 83.4 | Confident | 30 Ų | 30 | 61.4 Ų | 61.4 | 12% | 0.118 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 134.6 | -179.5 | -51.3 | -95.5 | 0 | 0 | 0 | 110.5 | T1326 V1327 A1329 I1337 V1353 V1354 P1355 G1361 | T1326-Y1363 CarbonylContact C-O 3.53Å; T1326-Y1363 WeakPolarHBondContact CA-O 3.47Å; V1327-Y1363 PolarHBondContact N-O 3.07Å; V1327-Y1363 PolarHBondContact O-N 3.47Å; A1329-Y1363 HydrophobicContact CB-CE2 4.22Å; I1337-Y1363 HydrophobicContact CB-CD2 4.36Å; I1337-Y1363 HydrophobicContact CB-CE2 4.42Å; I1337-Y1363 HydrophobicContact CG1-CD2 3.69Å; I1337-Y1363 HydrophobicContact CG1-CE2 3.56Å; I1337-Y1363 HydrophobicContact CG1-CG 4.43Å; V1353-Y1363 HydrophobicContact CG1-CD1 3.96Å; V1353-Y1363 HydrophobicContact CG1-CG 4.13Å; V1354-Y1363 CarbonylContact O-C 3.57Å; V1354-Y1363 VanDerWaalsContact O-CA 3.27Å; V1354-Y1363 WeakPolarHBondContact O-CA 3.43Å; P1355-Y1363 HydrophobicContact CB-CD1 4.24Å; P1355-Y1363 HydrophobicContact CB-CE1 4.34Å; P1355-Y1363 HydrophobicContact CG-CD1 4.1Å; P1355-Y1363 HydrophobicContact CG-CE1 4.09Å; G1361-Y1363 WeakPolarHBondContact O-CD2 3.4Å; G1361-Y1363 WeakPolarHBondContact O-CE2 3.43Å |
| 1364 | D | 91.7 | Very high | 83.1 | Confident | 56 Ų | 56 | 62.4 Ų | 62.4 | 30% | 0.299 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 125.7 | 166.5 | -74.7 | -52.7 | 0 | 0 | 0 | 109.7 | T1326 V1354 R1356 | T1326-D1364 PolarHBondContact OG1-OD1 2.83Å; V1354-D1364 PolarHBondContact N-O 2.62Å; V1354-D1364 PolarHBondContact O-N 3.23Å; R1356-D1364 IonicContact CZ-OD1 3.34Å; R1356-D1364 IonicContact CZ-OD2 2.82Å; R1356-D1364 IonicContact NE-OD1 3.84Å; R1356-D1364 IonicContact NE-OD2 3.7Å; R1356-D1364 PolarHBondContact NE-OD2 2.93Å; R1356-D1364 IonicContact NH2-OD1 2.76Å; R1356-D1364 PolarHBondContact NH2-OD1 3.01Å; R1356-D1364 IonicContact NH2-OD2 2.68Å; R1356-D1364 PolarHBondContact NH2-OD2 3.43Å |
| 1365 | V | 93.6 | Very high | 83.1 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 133.1 | -173.7 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | H1324 F1325 V1327 V1339 A1351 H1352 V1353 | H1324-V1365 WeakPolarHBondContact CA-O 3.19Å; F1325-V1365 HydrophobicContact CD1-CB 4.19Å; F1325-V1365 HydrophobicContact CD1-CG1 4.26Å; F1325-V1365 HydrophobicContact CD2-CB 4.43Å; F1325-V1365 HydrophobicContact CE1-CB 3.97Å; F1325-V1365 HydrophobicContact CE1-CG1 3.62Å; F1325-V1365 HydrophobicContact CE2-CB 4.23Å; F1325-V1365 HydrophobicContact CE2-CG1 4.44Å; F1325-V1365 HydrophobicContact CE2-CG2 4.39Å; F1325-V1365 HydrophobicContact CG-CB 4.43Å; F1325-V1365 HydrophobicContact CZ-CB 4Å; F1325-V1365 HydrophobicContact CZ-CG1 3.73Å; F1325-V1365 HydrophobicContact CZ-CG2 4.44Å; F1325-V1365 PolarHBondContact N-O 2.79Å; F1325-V1365 WeakPolarHBondContact O-CA 3.3Å; F1325-V1365 WeakPolarHBondContact O-CB 3.3Å; F1325-V1365 PolarHBondContact O-N 2.67Å; F1325-V1365 VanDerWaalsContact O-O 3.13Å; V1327-V1365 HydrophobicContact CB-CG2 4.27Å; V1327-V1365 HydrophobicContact CG2-CG2 3.59Å; V1339-V1365 HydrophobicContact CB-CG1 4.06Å; V1339-V1365 HydrophobicContact CG1-CG1 3.91Å; V1339-V1365 HydrophobicContact CG2-CG1 4.01Å; V1339-V1365 HydrophobicContact CG2-CG2 4.24Å; A1351-V1365 HydrophobicContact CB-CG1 3.99Å; H1352-V1365 WeakPolarHBondContact O-CA 3.42Å; V1353-V1365 HydrophobicContact CG1-CG2 4.23Å; V1353-V1365 HydrophobicContact CG2-CG1 4.2Å; V1353-V1365 HydrophobicContact CG2-CG2 4.12Å |
| 1366 | T | 92.3 | Very high | 83.6 | Confident | 36 Ų | 36 | 59.1 Ų | 59.1 | 22% | 0.221 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 125.7 | 179 | -55.9 | 0 | 0 | 0 | 0 | 109.8 | P1322 A1323 H1324 H1352 | P1322-T1366 HydrophobicContact CB-CG2 3.43Å; P1322-T1366 VanDerWaalsContact CB-CG2 3.43Å; A1323-T1366 WeakPolarHBondContact O-CA 3.49Å; H1324-T1366 PolarHBondContact CE1-OG1 2.99Å; H1324-T1366 PolarHBondContact ND1-OG1 3.25Å; H1352-T1366 PolarHBondContact N-O 3.01Å; H1352-T1366 PolarHBondContact O-N 2.88Å |
| 1367 | Y | 91.2 | Very high | 84.1 | Confident | 5 Ų | 5 | 56 Ų | 56 | 2% | 0.02 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 149.1 | 173.3 | 72 | -93.6 | 0 | 0 | 0 | 110.7 | G1311 P1322 A1323 F1325 T1341 P1369 I1377 | G1311-Y1367 PolarHBondContact O-OH 2.81Å; P1322-Y1367 WeakPolarHBondContact CA-O 3.34Å; A1323-Y1367 HydrophobicContact CB-CD1 4.1Å; A1323-Y1367 HydrophobicContact CB-CD2 4.16Å; A1323-Y1367 HydrophobicContact CB-CE1 3.68Å; A1323-Y1367 HydrophobicContact CB-CE2 3.75Å; A1323-Y1367 HydrophobicContact CB-CG 4.35Å; A1323-Y1367 VanDerWaalsContact CB-CZ 3.49Å; A1323-Y1367 PolarHBondContact N-O 3.2Å; A1323-Y1367 WeakPolarHBondContact O-CD1 3.33Å; A1323-Y1367 PolarHBondContact O-N 3.04Å; F1325-Y1367 HydrophobicContact CD1-CD1 4.12Å; F1325-Y1367 HydrophobicContact CD1-CE1 4.04Å; F1325-Y1367 AromaticContact CE1-CD1 3.88Å; F1325-Y1367 HydrophobicContact CE1-CD1 3.88Å; F1325-Y1367 HydrophobicContact CE1-CE1 4.04Å; T1341-Y1367 HydrophobicContact CG2-CD1 4.42Å; T1341-Y1367 HydrophobicContact CG2-CD2 3.44Å; T1341-Y1367 VanDerWaalsContact CG2-CD2 3.44Å; T1341-Y1367 HydrophobicContact CG2-CE2 4.09Å; T1341-Y1367 HydrophobicContact CG2-CG 3.62Å; Y1367-P1369 HydrophobicContact CD2-CG 4.41Å; Y1367-P1369 HydrophobicContact CE2-CB 4.32Å; Y1367-P1369 HydrophobicContact CE2-CG 4.1Å; Y1367-I1377 HydrophobicContact CE1-CD1 4.47Å; Y1367-I1377 HydrophobicContact CE1-CG1 3.95Å; Y1367-I1377 HydrophobicContact CE2-CG1 4.38Å |
| 1368 | V | 88.6 | Confident | 85.1 | Confident | 71 Ų | 71 | 53.1 Ų | 53.1 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | trans | -113.7 | 113.2 | 174.2 | -177.7 | 0 | 0 | 0 | 0 | 107.8 | P1322 | P1322-V1368 HydrophobicContact CB-CG2 4.39Š| ||
| 1369 | P | 81.5 | Confident | 86.2 | Confident | 6 Ų | 6 | 45.2 Ų | 45.2 | 4% | 0.039 | 26% | 0.26 | C | S | . | . | trans | -80.4 | 124.8 | 173.7 | 29.9 | -27.6 | 0 | 0 | 0 | 109.9 | R1318 A1319 Q1320 Q1321 Y1367 T1371 V1395 | R1318-P1369 WeakPolarHBondContact O-CG 3.22Å; A1319-P1369 CarbonylContact C-O 3.58Å; A1319-P1369 WeakPolarHBondContact CA-O 3.48Å; Q1320-P1369 PolarHBondContact N-O 2.83Å; Q1321-P1369 VanDerWaalsContact O-CD 3.3Å; Q1321-P1369 WeakPolarHBondContact O-CD 3.49Å; Y1367-P1369 HydrophobicContact CD2-CG 4.41Å; Y1367-P1369 HydrophobicContact CE2-CB 4.32Å; Y1367-P1369 HydrophobicContact CE2-CG 4.1Å; P1369-T1371 VanDerWaalsContact C-N 3.32Å; P1369-T1371 PolarHBondContact O-N 2.88Å; P1369-V1395 HydrophobicContact CB-CG1 3.98Å; P1369-V1395 HydrophobicContact CB-CG2 3.78Å; P1369-V1395 HydrophobicContact CG-CG1 3.65Å; P1369-V1395 HydrophobicContact CG-CG2 3.97Å | ||
| 1370 | D | 78.8 | Confident | 86.7 | Confident | 106 Ų | 106 | 43.1 Ų | 43.1 | 57% | 0.567 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -63.7 | -34.2 | -175 | -81.8 | -33.7 | 0 | 0 | 0 | 113.9 | Q1320 | Q1320-D1370 PolarHBondContact NE2-O 2.81Š|
| 1371 | T | 78.2 | Confident | 87.4 | Confident | 83 Ų | 83 | 37.5 Ų | 37.5 | 51% | 0.509 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -139.3 | 158.9 | -169.9 | 51.4 | 0 | 0 | 0 | 0 | 112.1 | P1369 | P1369-T1371 VanDerWaalsContact C-N 3.32Å; P1369-T1371 PolarHBondContact O-N 2.88Å |
| 1372 | D | 82.3 | Confident | 87.4 | Confident | 104 Ų | 104 | 39.4 Ų | 39.4 | 56% | 0.556 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -81.5 | 150.2 | 177.6 | 62.5 | -59.7 | 0 | 0 | 0 | 112.7 | A1319 P1397 | A1319-D1372 HydrophobicContact CB-CB 4.42Å; D1372-P1397 HydrophobicContact CB-CG 4.46Å |
| 1373 | G | 82.2 | Confident | 86.9 | Confident | 14 Ų | 14 | 41.1 Ų | 41.1 | 14% | 0.144 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 117.8 | -165.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V1395 | G1373-V1395 PolarHBondContact N-O 2.91Å; G1373-V1395 WeakPolarHBondContact O-CB 3.3Å; G1373-V1395 PolarHBondContact O-N 2.84Å |
| 1374 | P | 85.2 | Confident | 86.4 | Confident | 64 Ų | 64 | 44.8 Ų | 44.8 | 42% | 0.416 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 131.6 | -179 | 29.2 | -34.2 | 0 | 0 | 0 | 112 | Q1393 | P1374-Q1393 WeakPolarHBondContact CA-O 3.05Å |
| 1375 | C | 86.9 | Confident | 86.1 | Confident | 11 Ų | 11 | 45.9 Ų | 45.9 | 7% | 0.074 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 143.7 | 174.2 | 178.8 | 0 | 0 | 0 | 0 | 108.4 | V1342 Q1393 V1395 | V1342-C1375 CarbonylContact O-C 3.56Å; V1342-C1375 WeakPolarHBondContact O-CA 3.32Å; V1342-C1375 PolarHBondContact O-SG 2.82Å; C1375-Q1393 PolarHBondContact N-O 3.19Å; C1375-Q1393 PolarHBondContact O-N 2.77Å; C1375-Q1393 VanDerWaalsContact O-O 3.1Å; C1375-V1395 HydrophobicContact CB-CG2 3.84Å |
| 1376 | Q | 90.6 | Very high | 86 | Confident | 75 Ų | 75 | 46 Ų | 46 | 35% | 0.35 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 150.1 | 169 | -62.8 | -164.5 | -49.8 | 0 | 0 | 111.3 | T1341 V1342 P1390 F1391 T1392 | T1341-Q1376 CarbonylContact C-O 3.23Å; T1341-Q1376 VanDerWaalsContact CA-O 3.25Å; T1341-Q1376 WeakPolarHBondContact CA-O 2.99Å; V1342-Q1376 HydrophobicContact CB-CB 4.22Å; V1342-Q1376 HydrophobicContact CG2-CB 4.5Å; V1342-Q1376 PolarHBondContact N-O 2.88Å; V1342-Q1376 PolarHBondContact O-N 2.94Å; Q1376-P1390 HydrophobicContact CB-CB 4.41Å; Q1376-F1391 CarbonylContact C-O 3.59Å; Q1376-F1391 WeakPolarHBondContact CA-O 3.35Å; Q1376-T1392 HydrophobicContact CG-CG2 4.39Å; Q1376-T1392 PolarHBondContact NE2-OG1 2.99Å |
| 1377 | I | 92.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 113.2 | 172 | -52.2 | 90.1 | 0 | 0 | 0 | 107.5 | L1312 F1325 V1339 T1341 Y1367 V1379 P1390 F1391 Q1393 | L1312-I1377 HydrophobicContact CD2-CB 4.37Å; L1312-I1377 HydrophobicContact CD2-CD1 4.16Å; L1312-I1377 HydrophobicContact CD2-CG1 4.38Å; F1325-I1377 HydrophobicContact CE1-CG2 4.02Å; F1325-I1377 HydrophobicContact CZ-CG2 3.98Å; V1339-I1377 HydrophobicContact CG1-CG2 3.79Å; T1341-I1377 HydrophobicContact CG2-CG1 4.21Å; Y1367-I1377 HydrophobicContact CE1-CD1 4.47Å; Y1367-I1377 HydrophobicContact CE1-CG1 3.95Å; Y1367-I1377 HydrophobicContact CE2-CG1 4.38Å; I1377-V1379 HydrophobicContact CG2-CG2 4.27Å; I1377-P1390 CarbonylContact O-C 3.57Å; I1377-P1390 WeakPolarHBondContact O-CA 3.45Å; I1377-F1391 HydrophobicContact CB-CB 4.36Å; I1377-F1391 HydrophobicContact CD1-CB 4.38Å; I1377-F1391 PolarHBondContact N-O 2.78Å; I1377-F1391 PolarHBondContact O-N 2.91Å; I1377-Q1393 HydrophobicContact CD1-CB 3.52Å; I1377-Q1393 HydrophobicContact CD1-CG 4.36Å |
| 1378 | E | 92.7 | Very high | 85.2 | Confident | 46 Ų | 46 | 56.5 Ų | 56.5 | 22% | 0.215 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 127.3 | 169 | -58.4 | -165.1 | 169.5 | 0 | 0 | 109.5 | V1339 A1340 V1342 K1380 H1385 P1390 | V1339-E1378 VanDerWaalsContact CA-O 3.28Å; V1339-E1378 WeakPolarHBondContact CA-O 3.12Å; V1339-E1378 WeakPolarHBondContact CG1-O 3.4Å; A1340-E1378 PolarHBondContact N-O 3.47Å; A1340-E1378 PolarHBondContact O-N 2.97Å; V1342-E1378 HydrophobicContact CG2-CG 4.17Å; E1378-K1380 IonicContact OE2-NZ 3.69Å; E1378-K1380 PolarHBondContact OE2-NZ 3.43Å; E1378-H1385 IonicContact OE2-CE1 3.63Å; E1378-P1390 HydrophobicContact CG-CB 4.32Å |
| 1379 | V | 93.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 128 | 167.5 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | F1325 V1327 I1337 V1339 I1377 V1386 S1389 F1391 | F1325-V1379 HydrophobicContact CE2-CG2 3.8Å; F1325-V1379 HydrophobicContact CZ-CG2 3.68Å; V1327-V1379 HydrophobicContact CG1-CG1 4.44Å; V1327-V1379 HydrophobicContact CG2-CG1 4.16Å; I1337-V1379 HydrophobicContact CG2-CG1 4.4Å; V1339-V1379 HydrophobicContact CG1-CG2 4.18Å; V1339-V1379 HydrophobicContact CG2-CB 4.32Å; V1339-V1379 HydrophobicContact CG2-CG1 4.01Å; V1339-V1379 HydrophobicContact CG2-CG2 3.95Å; I1377-V1379 HydrophobicContact CG2-CG2 4.27Å; V1379-V1386 HydrophobicContact CB-CG2 3.62Å; V1379-V1386 HydrophobicContact CG1-CB 4.49Å; V1379-V1386 HydrophobicContact CG1-CG1 4.1Å; V1379-V1386 HydrophobicContact CG1-CG2 3.56Å; V1379-V1386 PolarHBondContact O-N 2.74Å; V1379-V1386 VanDerWaalsContact O-N 3.09Å; V1379-S1389 PolarHBondContact N-OG 2.99Å; V1379-S1389 WeakPolarHBondContact O-CB 3.3Å; V1379-S1389 PolarHBondContact O-OG 2.83Å; V1379-F1391 HydrophobicContact CB-CE2 4.31Å; V1379-F1391 HydrophobicContact CG2-CD2 4.25Å; V1379-F1391 HydrophobicContact CG2-CE2 3.93Å |
| 1380 | K | 89.2 | Confident | 85.5 | Confident | 47 Ų | 47 | 56.1 Ų | 56.1 | 20% | 0.204 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 141.3 | -175.2 | -74.4 | 168.1 | 168.6 | 155.4 | 0 | 111 | I1337 Q1338 E1378 N1384 H1385 | I1337-K1380 WeakPolarHBondContact CA-O 3.48Å; Q1338-K1380 HydrophobicContact CB-CB 4.41Å; Q1338-K1380 PolarHBondContact N-O 3.07Å; Q1338-K1380 PolarHBondContact O-N 2.63Å; E1378-K1380 IonicContact OE2-NZ 3.69Å; E1378-K1380 PolarHBondContact OE2-NZ 3.43Å; K1380-N1384 CarbonylContact C-O 3.43Å; K1380-N1384 WeakPolarHBondContact CA-O 3.31Å; K1380-N1384 WeakPolarHBondContact CB-O 3.44Å; K1380-H1385 WeakPolarHBondContact CE-CE1 3.27Å; K1380-H1385 VanDerWaalsContact CE-NE2 3.26Å; K1380-H1385 WeakPolarHBondContact CE-NE2 3.47Å |
| 1381 | Q | 86.1 | Confident | 86.1 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 132.1 | 169.1 | -168.6 | -172.2 | 23.2 | 0 | 0 | 107.8 | V1300 P1302 V1305 A1332 G1333 A1335 I1337 G1383 N1384 V1386 | V1300-Q1381 HydrophobicContact CG1-CG 4.07Å; P1302-Q1381 HydrophobicContact CB-CB 4.26Å; P1302-Q1381 HydrophobicContact CG-CB 4.23Å; V1305-Q1381 HydrophobicContact CG2-CB 4.44Å; A1332-Q1381 PolarHBondContact O-NE2 3.24Å; A1332-Q1381 PolarHBondContact O-OE1 3.23Å; G1333-Q1381 PolarHBondContact O-NE2 2.73Å; A1335-Q1381 HydrophobicContact CB-CG 3.89Å; I1337-Q1381 HydrophobicContact CD1-CB 3.79Å; I1337-Q1381 HydrophobicContact CD1-CG 3.81Å; Q1381-G1383 PolarHBondContact O-N 2.72Å; Q1381-N1384 PolarHBondContact N-O 3.29Å; Q1381-N1384 PolarHBondContact O-N 2.87Å; Q1381-V1386 HydrophobicContact CB-CG1 4.12Å |
| 1382 | A | 77.7 | Confident | 86.6 | Confident | 63 Ų | 63 | 53.3 Ų | 53.3 | 52% | 0.521 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 31.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V1300 A1335 N1384 | V1300-A1382 HydrophobicContact CG1-CB 4.09Å; A1335-A1382 HydrophobicContact CB-CB 4.48Å; A1382-N1384 VanDerWaalsContact C-N 3.31Å; A1382-N1384 PolarHBondContact O-N 3.37Å |
| 1383 | G | 79.1 | Confident | 86.7 | Confident | 45 Ų | 45 | 48.8 Ų | 48.8 | 46% | 0.464 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | -21.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q1381 | Q1381-G1383 PolarHBondContact O-N 2.72Š|
| 1384 | N | 80.7 | Confident | 86.9 | Confident | 108 Ų | 108 | 53.7 Ų | 53.7 | 58% | 0.578 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 143.6 | 179.6 | -71.5 | -42.8 | 0 | 0 | 0 | 111.8 | P1302 K1380 Q1381 A1382 | P1302-N1384 HydrophobicContact CB-CB 4.49Å; P1302-N1384 HydrophobicContact CG-CB 4.1Å; K1380-N1384 CarbonylContact C-O 3.43Å; K1380-N1384 WeakPolarHBondContact CA-O 3.31Å; K1380-N1384 WeakPolarHBondContact CB-O 3.44Å; Q1381-N1384 PolarHBondContact N-O 3.29Å; Q1381-N1384 PolarHBondContact O-N 2.87Å; A1382-N1384 VanDerWaalsContact C-N 3.31Å; A1382-N1384 PolarHBondContact O-N 3.37Å |
| 1385 | H | 86.1 | Confident | 86.9 | Confident | 78 Ų | 78 | 50.7 Ų | 50.7 | 36% | 0.361 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 134.5 | 175.1 | -80.7 | -72.1 | 0 | 0 | 0 | 111.3 | E1378 K1380 S1389 | E1378-H1385 IonicContact OE2-CE1 3.63Å; K1380-H1385 WeakPolarHBondContact CE-CE1 3.27Å; K1380-H1385 VanDerWaalsContact CE-NE2 3.26Å; K1380-H1385 WeakPolarHBondContact CE-NE2 3.47Å; H1385-S1389 PolarHBondContact ND1-OG 3.15Å |
| 1386 | V | 90.6 | Very high | 86.7 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.03 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 167.8 | 173 | -53.1 | 0 | 0 | 0 | 0 | 111.5 | P1302 V1305 V1379 Q1381 R1388 S1389 | P1302-V1386 HydrophobicContact CB-CG1 4.37Å; P1302-V1386 VanDerWaalsContact O-CA 3.3Å; P1302-V1386 WeakPolarHBondContact O-CA 3.5Å; P1302-V1386 WeakPolarHBondContact O-CB 3.35Å; V1305-V1386 HydrophobicContact CB-CB 3.98Å; V1305-V1386 HydrophobicContact CB-CG1 3.8Å; V1305-V1386 HydrophobicContact CG1-CB 4.22Å; V1305-V1386 HydrophobicContact CG1-CG1 3.91Å; V1305-V1386 HydrophobicContact CG2-CG1 3.98Å; V1379-V1386 HydrophobicContact CB-CG2 3.62Å; V1379-V1386 HydrophobicContact CG1-CB 4.49Å; V1379-V1386 HydrophobicContact CG1-CG1 4.1Å; V1379-V1386 HydrophobicContact CG1-CG2 3.56Å; V1379-V1386 PolarHBondContact O-N 2.74Å; V1379-V1386 VanDerWaalsContact O-N 3.09Å; Q1381-V1386 HydrophobicContact CB-CG1 4.12Å; V1386-R1388 PolarHBondContact O-N 3.16Å; V1386-S1389 WeakPolarHBondContact O-CB 3.29Å; V1386-S1389 PolarHBondContact O-N 2.74Å |
| 1387 | A | 80 | Confident | 86.1 | Confident | 44 Ų | 44 | 51.1 Ų | 51.1 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | 125.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P1302 S1389 | P1302-A1387 PolarHBondContact O-N 2.8Å; A1387-S1389 VanDerWaalsContact C-N 3.27Å; A1387-S1389 PolarHBondContact O-N 2.77Å |
| 1388 | R | 86.2 | Confident | 85.3 | Confident | 216 Ų | 216 | 52.3 Ų | 52.3 | 82% | 0.815 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 1.1 | -178 | -43.7 | 176 | -166.1 | 174.1 | 4.8 | 116.7 | V1386 P1390 F1391 | V1386-R1388 PolarHBondContact O-N 3.16Å; R1388-P1390 CarbonylContact O-C 3.52Å; R1388-F1391 HydrophobicContact CB-CD1 4.32Å; R1388-F1391 HydrophobicContact CB-CE1 3.63Å; R1388-F1391 HydrophobicContact CB-CZ 4.03Å |
| 1389 | S | 89.8 | Confident | 84.7 | Confident | 18 Ų | 18 | 53.4 Ų | 53.4 | 13% | 0.126 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 145.5 | 168.7 | -179.2 | 0 | 0 | 0 | 0 | 111 | V1379 H1385 V1386 A1387 | V1379-S1389 PolarHBondContact N-OG 2.99Å; V1379-S1389 WeakPolarHBondContact O-CB 3.3Å; V1379-S1389 PolarHBondContact O-OG 2.83Å; H1385-S1389 PolarHBondContact ND1-OG 3.15Å; V1386-S1389 WeakPolarHBondContact O-CB 3.29Å; V1386-S1389 PolarHBondContact O-N 2.74Å; A1387-S1389 VanDerWaalsContact C-N 3.27Å; A1387-S1389 PolarHBondContact O-N 2.77Å |
| 1390 | P | 88.7 | Confident | 84.3 | Confident | 52 Ų | 52 | 55.2 Ų | 55.2 | 34% | 0.338 | 30% | 0.304 | S | S | . | . | S | Bend | cis | -72.9 | 128.1 | -7.1 | 29.5 | -34.3 | 0 | 0 | 0 | 113.4 | Q1376 I1377 E1378 R1388 | Q1376-P1390 HydrophobicContact CB-CB 4.41Å; I1377-P1390 CarbonylContact O-C 3.57Å; I1377-P1390 WeakPolarHBondContact O-CA 3.45Å; E1378-P1390 HydrophobicContact CG-CB 4.32Å; R1388-P1390 CarbonylContact O-C 3.52Å |
| 1391 | F | 90.2 | Very high | 84 | Confident | 30 Ų | 30 | 53.2 Ų | 53.2 | 13% | 0.132 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 136.9 | 173.3 | -57.2 | -91 | 0 | 0 | 0 | 109 | C1307 L1312 Q1376 I1377 V1379 R1388 | C1307-F1391 HydrophobicContact CB-CE1 4.39Å; C1307-F1391 HydrophobicContact CB-CE2 4.06Å; C1307-F1391 HydrophobicContact CB-CZ 3.63Å; L1312-F1391 HydrophobicContact CD1-CD1 4.14Å; L1312-F1391 HydrophobicContact CD1-CD2 4.42Å; L1312-F1391 HydrophobicContact CD1-CE1 4.08Å; L1312-F1391 HydrophobicContact CD1-CE2 4.38Å; L1312-F1391 HydrophobicContact CD1-CG 4.32Å; L1312-F1391 HydrophobicContact CD1-CZ 4.23Å; L1312-F1391 HydrophobicContact CD2-CB 3.95Å; L1312-F1391 HydrophobicContact CD2-CD1 4.35Å; L1312-F1391 HydrophobicContact CD2-CD2 4.18Å; L1312-F1391 HydrophobicContact CD2-CG 3.91Å; Q1376-F1391 CarbonylContact C-O 3.59Å; Q1376-F1391 WeakPolarHBondContact CA-O 3.35Å; I1377-F1391 HydrophobicContact CB-CB 4.36Å; I1377-F1391 HydrophobicContact CD1-CB 4.38Å; I1377-F1391 PolarHBondContact N-O 2.78Å; I1377-F1391 PolarHBondContact O-N 2.91Å; V1379-F1391 HydrophobicContact CB-CE2 4.31Å; V1379-F1391 HydrophobicContact CG2-CD2 4.25Å; V1379-F1391 HydrophobicContact CG2-CE2 3.93Å; R1388-F1391 HydrophobicContact CB-CD1 4.32Å; R1388-F1391 HydrophobicContact CB-CE1 3.63Å; R1388-F1391 HydrophobicContact CB-CZ 4.03Å |
| 1392 | T | 88.2 | Confident | 83.9 | Confident | 100 Ų | 100 | 60.1 Ų | 60.1 | 61% | 0.613 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 114.9 | 177.1 | -57.8 | 0 | 0 | 0 | 0 | 109.9 | Q1376 | Q1376-T1392 HydrophobicContact CG-CG2 4.39Å; Q1376-T1392 PolarHBondContact NE2-OG1 2.99Å |
| 1393 | Q | 85.7 | Confident | 84.4 | Confident | 8 Ų | 8 | 62.7 Ų | 62.7 | 4% | 0.037 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 142.7 | -171.8 | 178.3 | 62.4 | -65.8 | 0 | 0 | 110.8 | G1311 E1313 A1317 P1374 C1375 I1377 | G1311-Q1393 PolarHBondContact O-NE2 2.81Å; E1313-Q1393 PolarHBondContact O-NE2 2.95Å; E1313-Q1393 PolarHBondContact O-OE1 3.41Å; A1317-Q1393 HydrophobicContact CB-CG 3.89Å; P1374-Q1393 WeakPolarHBondContact CA-O 3.05Å; C1375-Q1393 PolarHBondContact N-O 3.19Å; C1375-Q1393 PolarHBondContact O-N 2.77Å; C1375-Q1393 VanDerWaalsContact O-O 3.1Å; I1377-Q1393 HydrophobicContact CD1-CB 3.52Å; I1377-Q1393 HydrophobicContact CD1-CG 4.36Å |
| 1394 | H | 85.4 | Confident | 84.8 | Confident | 117 Ų | 117 | 61 Ų | 61 | 54% | 0.542 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 98.1 | 176.9 | -158.5 | -49.4 | 0 | 0 | 0 | 110.3 | ||
| 1395 | V | 85.4 | Confident | 85.2 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 134.6 | -178.2 | -174.5 | 0 | 0 | 0 | 0 | 110 | A1317 A1319 P1369 G1373 C1375 | A1317-V1395 HydrophobicContact CB-CG2 4.41Å; A1317-V1395 WeakPolarHBondContact O-CA 3.34Å; A1319-V1395 HydrophobicContact CB-CG1 4.1Å; A1319-V1395 VanDerWaalsContact N-CG1 3.29Å; P1369-V1395 HydrophobicContact CB-CG1 3.98Å; P1369-V1395 HydrophobicContact CB-CG2 3.78Å; P1369-V1395 HydrophobicContact CG-CG1 3.65Å; P1369-V1395 HydrophobicContact CG-CG2 3.97Å; G1373-V1395 PolarHBondContact N-O 2.91Å; G1373-V1395 WeakPolarHBondContact O-CB 3.3Å; G1373-V1395 PolarHBondContact O-N 2.84Å; C1375-V1395 HydrophobicContact CB-CG2 3.84Å |
| 1396 | L | 83.8 | Confident | 85.4 | Confident | 42 Ų | 42 | 61.1 Ų | 61.1 | 22% | 0.22 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -92.5 | 163.2 | 175 | -74.4 | 179.1 | 0 | 0 | 0 | 111.9 | R1315 A1317 R1318 A1319 | R1315-L1396 HydrophobicContact CB-CD1 3.9Å; R1315-L1396 HydrophobicContact CB-CG 4.46Å; R1315-L1396 HydrophobicContact CG-CD1 4.28Å; A1317-L1396 PolarHBondContact O-N 2.99Å; R1318-L1396 CarbonylContact C-O 3.56Å; R1318-L1396 VanDerWaalsContact CA-O 3.31Å; R1318-L1396 WeakPolarHBondContact CA-O 3.34Å; R1318-L1396 HydrophobicContact CG-CB 3.66Å; A1319-L1396 PolarHBondContact N-O 3.1Å |
| 1397 | P | 77.4 | Confident | 85.2 | Confident | 53 Ų | 53 | 65.2 Ų | 65.2 | 34% | 0.344 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -59 | 154.3 | 171.8 | -23.8 | 35.1 | 0 | 0 | 0 | 112.8 | R1318 D1372 F1399 | R1318-P1397 WeakPolarHBondContact CD-O 3.22Å; R1318-P1397 WeakPolarHBondContact CG-O 3.45Å; R1318-P1397 PolarHBondContact NH1-O 2.93Å; D1372-P1397 HydrophobicContact CB-CG 4.46Å; P1397-F1399 PolarHBondContact O-N 3.37Å |
| 1398 | A | 75.3 | Confident | 85.4 | Confident | 25 Ų | 25 | 64.7 Ų | 64.7 | 21% | 0.207 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -55.3 | -50.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A1319 Q1321 G1435 | A1319-A1398 WeakPolarHBondContact O-CA 3.41Å; A1319-A1398 VanDerWaalsContact O-CB 3.28Å; A1319-A1398 WeakPolarHBondContact O-CB 3.41Å; Q1321-A1398 PolarHBondContact NE2-O 3.02Å; A1398-G1435 CarbonylContact O-C 3.49Å |
| 1399 | F | 80.3 | Confident | 85.2 | Confident | 68 Ų | 68 | 59 Ų | 59 | 30% | 0.298 | 30% | 0.304 | S | S | . | . | trans | -146.8 | 154.6 | 179 | 61.6 | -86.9 | 0 | 0 | 0 | 113.1 | P1397 P1401 A1434 G1435 Y1481 G1482 | P1397-F1399 PolarHBondContact O-N 3.37Å; F1399-P1401 HydrophobicContact CD2-CG 4.41Å; F1399-P1401 HydrophobicContact CE2-CG 4.48Å; F1399-A1434 CarbonylContact C-O 3.25Å; F1399-A1434 WeakPolarHBondContact CA-O 3.44Å; F1399-G1435 WeakPolarHBondContact CA-O 3.44Å; F1399-G1435 WeakPolarHBondContact CB-O 3.2Å; F1399-Y1481 HydrophobicContact CB-CD1 4.33Å; F1399-Y1481 HydrophobicContact CB-CE1 4.1Å; F1399-G1482 WeakPolarHBondContact CZ-O 3.48Å | ||
| 1400 | E | 85 | Confident | 85 | Confident | 38 Ų | 38 | 58.2 Ų | 58.2 | 18% | 0.178 | 30% | 0.298 | C | S | . | . | trans | -129.4 | 88 | 179.6 | -69.9 | 169.6 | 81.9 | 0 | 0 | 110.4 | R1318 Q1402 R1403 A1434 | R1318-E1400 IonicContact CZ-OE2 2.67Å; R1318-E1400 IonicContact NH1-OE2 2.88Å; R1318-E1400 PolarHBondContact NH1-OE2 3.17Å; R1318-E1400 IonicContact NH2-OE2 2.68Å; R1318-E1400 PolarHBondContact NH2-OE2 2.63Å; E1400-Q1402 VanDerWaalsContact C-N 3.3Å; E1400-Q1402 PolarHBondContact O-N 3.05Å; E1400-R1403 HydrophobicContact CB-CG 4.09Å; E1400-R1403 VanDerWaalsContact CD-NE 3.34Å; E1400-R1403 WeakPolarHBondContact O-CB 3.35Å; E1400-R1403 PolarHBondContact O-N 2.79Å; E1400-R1403 IonicContact OE1-CZ 2.68Å; E1400-R1403 IonicContact OE1-NE 3.58Å; E1400-R1403 PolarHBondContact OE1-NE 2.82Å; E1400-R1403 IonicContact OE1-NH2 3.65Å; E1400-R1403 PolarHBondContact OE1-NH2 2.87Å; E1400-R1403 IonicContact OE2-NE 3.43Å; E1400-R1403 IonicContact OE2-NH2 3.76Å; E1400-A1434 PolarHBondContact N-O 2.87Å; E1400-A1434 WeakPolarHBondContact O-CB 3.26Å | ||
| 1401 | P | 81.6 | Confident | 84.9 | Confident | 6 Ų | 6 | 56.1 Ų | 56.1 | 4% | 0.039 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -66.5 | -29 | -165.9 | 25.7 | -32 | 0 | 0 | 0 | 113.5 | F1399 R1403 V1404 Q1484 | F1399-P1401 HydrophobicContact CD2-CG 4.41Å; F1399-P1401 HydrophobicContact CE2-CG 4.48Å; P1401-R1403 PolarHBondContact O-N 2.84Å; P1401-R1403 VanDerWaalsContact O-N 3.14Å; P1401-V1404 PolarHBondContact O-N 2.84Å; P1401-Q1484 HydrophobicContact CB-CB 4.49Å; P1401-Q1484 HydrophobicContact CG-CB 4.33Å |
| 1402 | Q | 84.9 | Confident | 84.2 | Confident | 145 Ų | 145 | 59.5 Ų | 59.5 | 68% | 0.678 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -66.2 | -3.6 | 171.6 | 39.9 | -90.5 | -12 | 0 | 0 | 115.3 | E1400 | E1400-Q1402 VanDerWaalsContact C-N 3.3Å; E1400-Q1402 PolarHBondContact O-N 3.05Å |
| 1403 | R | 88.2 | Confident | 83.1 | Confident | 117 Ų | 117 | 58.8 Ų | 58.8 | 44% | 0.442 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -95.9 | -13.8 | 171.9 | -65.5 | -174.7 | -178.3 | -133.2 | 17.2 | 113.9 | E1400 P1401 D1433 A1434 | E1400-R1403 HydrophobicContact CB-CG 4.09Å; E1400-R1403 VanDerWaalsContact CD-NE 3.34Å; E1400-R1403 WeakPolarHBondContact O-CB 3.35Å; E1400-R1403 PolarHBondContact O-N 2.79Å; E1400-R1403 IonicContact OE1-CZ 2.68Å; E1400-R1403 IonicContact OE1-NE 3.58Å; E1400-R1403 PolarHBondContact OE1-NE 2.82Å; E1400-R1403 IonicContact OE1-NH2 3.65Å; E1400-R1403 PolarHBondContact OE1-NH2 2.87Å; E1400-R1403 IonicContact OE2-NE 3.43Å; E1400-R1403 IonicContact OE2-NH2 3.76Å; P1401-R1403 PolarHBondContact O-N 2.84Å; P1401-R1403 VanDerWaalsContact O-N 3.14Å; R1403-D1433 HydrophobicContact CB-CB 4.17Å; R1403-D1433 WeakPolarHBondContact CD-O 3.31Å; R1403-A1434 HydrophobicContact CB-CB 4Å |
| 1404 | V | 86.7 | Confident | 81.9 | Confident | 9 Ų | 9 | 63.1 Ų | 63.1 | 6% | 0.055 | 33% | 0.325 | C | S | . | . | trans | -66.9 | 135.5 | 175.7 | -180 | 0 | 0 | 0 | 0 | 109.7 | P1401 V1429 D1430 T1431 A1434 Y1481 I1486 | P1401-V1404 PolarHBondContact O-N 2.84Å; V1404-V1429 HydrophobicContact CG1-CG1 3.52Å; V1404-D1430 VanDerWaalsContact CA-O 3.32Å; V1404-D1430 WeakPolarHBondContact CA-O 3.24Å; V1404-T1431 HydrophobicContact CG1-CG2 4.14Å; V1404-T1431 HydrophobicContact CG2-CG2 4.14Å; V1404-A1434 HydrophobicContact CG2-CB 3.79Å; V1404-Y1481 HydrophobicContact CG2-CD1 3.47Å; V1404-Y1481 VanDerWaalsContact CG2-CD1 3.47Å; V1404-Y1481 HydrophobicContact CG2-CD2 4.11Å; V1404-Y1481 HydrophobicContact CG2-CE1 3.98Å; V1404-Y1481 HydrophobicContact CG2-CG 3.54Å; V1404-I1486 HydrophobicContact CB-CG2 3.96Å; V1404-I1486 HydrophobicContact CG1-CD1 4.22Å; V1404-I1486 HydrophobicContact CG1-CG2 4.15Å; V1404-I1486 HydrophobicContact CG2-CG2 4.39Å | ||
| 1405 | R | 89 | Confident | 80.8 | Confident | 160 Ų | 160 | 61.7 Ų | 61.7 | 60% | 0.604 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120 | 149.2 | 176.7 | -53.8 | -175.5 | -172.8 | -162.9 | 5.1 | 110.4 | V1429 D1430 | R1405-V1429 CarbonylContact O-C 3.53Å; R1405-V1429 WeakPolarHBondContact O-CA 3.36Å; R1405-D1430 HydrophobicContact CB-CB 4.37Å; R1405-D1430 PolarHBondContact N-O 2.95Å; R1405-D1430 PolarHBondContact O-N 2.99Å |
| 1406 | V | 90.7 | Very high | 80 | Confident | 29 Ų | 29 | 68 Ų | 68 | 18% | 0.176 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 131.4 | 175.6 | -170.2 | 0 | 0 | 0 | 0 | 110 | V1411 F1427 Q1428 V1429 V1479 I1486 F1491 | V1406-V1411 HydrophobicContact CG1-CG1 4.22Å; V1406-V1411 HydrophobicContact CG1-CG2 4.01Å; V1406-F1427 HydrophobicContact CG1-CD2 3.71Å; V1406-F1427 HydrophobicContact CG1-CE2 4.32Å; V1406-Q1428 CarbonylContact C-O 3.59Å; V1406-Q1428 VanDerWaalsContact CA-O 3.3Å; V1406-Q1428 WeakPolarHBondContact CA-O 3.43Å; V1406-V1429 HydrophobicContact CG1-CG2 4.31Å; V1406-V1429 HydrophobicContact CG2-CG1 4.26Å; V1406-V1429 HydrophobicContact CG2-CG2 4.15Å; V1406-V1479 HydrophobicContact CG2-CG1 4.24Å; V1406-V1479 HydrophobicContact CG2-CG2 4.38Å; V1406-I1486 HydrophobicContact CG2-CD1 3.34Å; V1406-F1491 HydrophobicContact CB-CZ 4.21Å; V1406-F1491 HydrophobicContact CG2-CZ 4.47Å |
| 1407 | T | 87.9 | Confident | 79.3 | Confident | 90 Ų | 90 | 73.4 Ų | 73.4 | 55% | 0.552 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 135 | -175.3 | 52.3 | 0 | 0 | 0 | 0 | 112 | Q1428 | T1407-Q1428 PolarHBondContact N-O 3.47Å; T1407-Q1428 PolarHBondContact O-N 3.06Å |
| 1408 | G | 83.9 | Confident | 79.3 | Confident | 33 Ų | 33 | 71.3 Ų | 71.3 | 34% | 0.34 | 37% | 0.372 | S | S | . | . | S | Bend | trans | 146.5 | 168.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G1410 V1411 | G1408-G1410 VanDerWaalsContact C-N 3.29Å; G1408-G1410 PolarHBondContact O-N 2.85Å; G1408-V1411 WeakPolarHBondContact O-CG2 3.25Å; G1408-V1411 PolarHBondContact O-N 3.21Å |
| 1409 | E | 81.3 | Confident | 79.8 | Confident | 98 Ų | 98 | 70.4 Ų | 70.4 | 46% | 0.458 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -68.5 | -27.9 | -178.3 | -69.6 | -154.5 | 123.3 | 0 | 0 | 113 | V1411 H1412 R1415 L1419 S1426 | E1409-V1411 PolarHBondContact O-N 3.05Å; E1409-V1411 VanDerWaalsContact O-N 3.07Å; E1409-H1412 PolarHBondContact O-N 3.38Å; E1409-R1415 IonicContact OE1-CZ 3.73Å; E1409-R1415 IonicContact OE1-NE 3.71Å; E1409-R1415 PolarHBondContact OE1-NE 2.91Å; E1409-R1415 IonicContact OE1-NH2 3.54Å; E1409-R1415 PolarHBondContact OE1-NH2 2.85Å; E1409-R1415 IonicContact OE2-CZ 2.85Å; E1409-R1415 VanDerWaalsContact OE2-CZ 3.3Å; E1409-R1415 IonicContact OE2-NE 2.71Å; E1409-R1415 IonicContact OE2-NH2 2.77Å; E1409-R1415 PolarHBondContact OE2-NH2 3.04Å; E1409-L1419 HydrophobicContact CB-CD2 4.46Å; E1409-S1426 PolarHBondContact N-O 3.17Å |
| 1410 | G | 85.1 | Confident | 80 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -64.9 | -6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | G1408 T1425 S1426 Y1467 | G1408-G1410 VanDerWaalsContact C-N 3.29Å; G1408-G1410 PolarHBondContact O-N 2.85Å; G1410-T1425 WeakPolarHBondContact CA-OG1 3.22Å; G1410-T1425 PolarHBondContact N-OG1 2.91Å; G1410-S1426 PolarHBondContact N-O 3.28Å; G1410-Y1467 WeakPolarHBondContact O-CE1 3.25Å; G1410-Y1467 PolarHBondContact O-OH 3.38Å; G1410-Y1467 VanDerWaalsContact O-OH 3.09Å |
| 1411 | V | 88 | Confident | 79.9 | Confident | 8 Ų | 8 | 67.1 Ų | 67.1 | 5% | 0.048 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -126 | -2.4 | 172.4 | -68.7 | 0 | 0 | 0 | 0 | 113.6 | V1406 G1408 E1409 P1413 F1427 V1477 F1491 | V1406-V1411 HydrophobicContact CG1-CG1 4.22Å; V1406-V1411 HydrophobicContact CG1-CG2 4.01Å; G1408-V1411 WeakPolarHBondContact O-CG2 3.25Å; G1408-V1411 PolarHBondContact O-N 3.21Å; E1409-V1411 PolarHBondContact O-N 3.05Å; E1409-V1411 VanDerWaalsContact O-N 3.07Å; V1411-P1413 VanDerWaalsContact O-CD 3.28Å; V1411-P1413 WeakPolarHBondContact O-CD 3.32Å; V1411-F1427 HydrophobicContact CG1-CB 4.03Å; V1411-F1427 HydrophobicContact CG1-CD1 3.84Å; V1411-F1427 HydrophobicContact CG1-CD2 3.99Å; V1411-F1427 HydrophobicContact CG1-CE1 4.25Å; V1411-F1427 HydrophobicContact CG1-CE2 4.38Å; V1411-F1427 HydrophobicContact CG1-CG 3.7Å; V1411-F1427 HydrophobicContact CG1-CZ 4.5Å; V1411-F1427 HydrophobicContact CG2-CB 4.07Å; V1411-V1477 HydrophobicContact CG1-CB 4.33Å; V1411-V1477 HydrophobicContact CG1-CG1 4.04Å; V1411-V1477 HydrophobicContact CG1-CG2 4.46Å; V1411-F1491 HydrophobicContact CB-CB 4.12Å; V1411-F1491 HydrophobicContact CB-CD1 4.09Å; V1411-F1491 HydrophobicContact CB-CD2 4.34Å; V1411-F1491 HydrophobicContact CB-CG 3.93Å; V1411-F1491 HydrophobicContact CG1-CB 4.32Å; V1411-F1491 HydrophobicContact CG1-CD2 4.06Å; V1411-F1491 HydrophobicContact CG1-CG 4.11Å |
| 1412 | H | 74 | Confident | 80 | Confident | 102 Ų | 102 | 67.1 Ų | 67.1 | 47% | 0.472 | 35% | 0.352 | S | S | . | . | trans | -77.1 | 110.7 | -164.8 | -160.1 | -85.1 | 0 | 0 | 0 | 112.3 | E1409 T1414 | E1409-H1412 PolarHBondContact O-N 3.38Å; H1412-T1414 PolarHBondContact CE1-OG1 3.3Å; H1412-T1414 PolarHBondContact ND1-OG1 3.37Å; H1412-T1414 PolarHBondContact O-N 2.97Å | ||
| 1413 | P | 65.2 | Low | 79.8 | Confident | 84 Ų | 84 | 64.1 Ų | 64.1 | 55% | 0.545 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -3.2 | -161.3 | 28.5 | -35.1 | 0 | 0 | 0 | 115.4 | V1411 | V1411-P1413 VanDerWaalsContact O-CD 3.28Å; V1411-P1413 WeakPolarHBondContact O-CD 3.32Å |
| 1414 | T | 61.8 | Low | 79.7 | Confident | 100 Ų | 100 | 63.4 Ų | 63.4 | 61% | 0.613 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.5 | 11 | -167.2 | 52.7 | 0 | 0 | 0 | 0 | 115.5 | H1412 P1416 | H1412-T1414 PolarHBondContact CE1-OG1 3.3Å; H1412-T1414 PolarHBondContact ND1-OG1 3.37Å; H1412-T1414 PolarHBondContact O-N 2.97Å; T1414-P1416 VanDerWaalsContact O-CD 3.27Å; T1414-P1416 WeakPolarHBondContact O-CD 3.48Å |
| 1415 | R | 62.2 | Low | 79.8 | Confident | 86 Ų | 86 | 63.7 Ų | 63.7 | 33% | 0.325 | 35% | 0.351 | S | S | . | . | trans | -65.9 | 114.8 | -177.7 | -152.7 | 179.5 | -160.9 | -127.8 | 10.4 | 111.2 | E1409 L1417 G1418 | E1409-R1415 IonicContact OE1-CZ 3.73Å; E1409-R1415 IonicContact OE1-NE 3.71Å; E1409-R1415 PolarHBondContact OE1-NE 2.91Å; E1409-R1415 IonicContact OE1-NH2 3.54Å; E1409-R1415 PolarHBondContact OE1-NH2 2.85Å; E1409-R1415 IonicContact OE2-CZ 2.85Å; E1409-R1415 VanDerWaalsContact OE2-CZ 3.3Å; E1409-R1415 IonicContact OE2-NE 2.71Å; E1409-R1415 IonicContact OE2-NH2 2.77Å; E1409-R1415 PolarHBondContact OE2-NH2 3.04Å; R1415-L1417 VanDerWaalsContact C-N 3.29Å; R1415-L1417 PolarHBondContact O-N 3.03Å; R1415-L1417 VanDerWaalsContact O-N 3.1Å; R1415-G1418 PolarHBondContact O-N 3.01Å | ||
| 1416 | P | 67 | Low | 79.9 | Confident | 134 Ų | 134 | 58.9 Ų | 58.9 | 87% | 0.87 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -22.2 | -164.3 | -26.9 | 36.1 | 0 | 0 | 0 | 116.9 | T1414 | T1414-P1416 VanDerWaalsContact O-CD 3.27Å; T1414-P1416 WeakPolarHBondContact O-CD 3.48Å |
| 1417 | L | 69.9 | Low | 80 | Confident | 156 Ų | 156 | 57.7 Ų | 57.7 | 82% | 0.817 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -3.3 | 179.7 | -71.9 | 163.6 | 0 | 0 | 0 | 113 | R1415 A1496 | R1415-L1417 VanDerWaalsContact C-N 3.29Å; R1415-L1417 PolarHBondContact O-N 3.03Å; R1415-L1417 VanDerWaalsContact O-N 3.1Å; L1417-A1496 WeakPolarHBondContact O-CB 3.42Å |
| 1418 | G | 77 | Confident | 80.2 | Confident | 9 Ų | 9 | 57 Ų | 57 | 9% | 0.093 | 32% | 0.324 | C | S | . | . | trans | 70.5 | -176.3 | -163.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R1415 P1494 | R1415-G1418 PolarHBondContact O-N 3.01Å; G1418-P1494 CarbonylContact C-O 3.51Å; G1418-P1494 WeakPolarHBondContact CA-O 3.48Å | ||
| 1419 | L | 85.2 | Confident | 80.6 | Confident | 7 Ų | 7 | 55.4 Ų | 55.4 | 4% | 0.037 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 140.4 | 166.1 | -63.8 | 176 | 0 | 0 | 0 | 109.8 | E1409 T1425 V1493 P1494 V1495 A1496 | E1409-L1419 HydrophobicContact CB-CD2 4.46Å; L1419-T1425 HydrophobicContact CD1-CG2 3.82Å; L1419-V1493 HydrophobicContact CD1-CG1 3.55Å; L1419-V1493 HydrophobicContact CG-CG1 4.23Å; L1419-P1494 PolarHBondContact N-O 3.18Å; L1419-V1495 HydrophobicContact CB-CG2 4.42Å; L1419-V1495 CarbonylContact O-C 3.56Å; L1419-V1495 VanDerWaalsContact O-CA 3.26Å; L1419-V1495 WeakPolarHBondContact O-CA 3.28Å; L1419-V1495 WeakPolarHBondContact O-CG1 3.11Å; L1419-A1496 PolarHBondContact O-N 2.89Å |
| 1420 | P | 85.3 | Confident | 81 | Confident | 37 Ų | 37 | 52.5 Ų | 52.5 | 24% | 0.24 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 129 | 174.8 | 26.9 | -31.3 | 0 | 0 | 0 | 111.5 | Q1423 | P1420-Q1423 HydrophobicContact CB-CG 4.29Å; P1420-Q1423 HydrophobicContact CG-CB 4.08Å; P1420-Q1423 HydrophobicContact CG-CG 4.1Å; P1420-Q1423 PolarHBondContact O-N 2.83Å |
| 1421 | A | 82.9 | Confident | 81.2 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 151.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q1423 P1469 V1472 V1495 A1496 S1498 | A1421-Q1423 PolarHBondContact O-N 3.2Å; A1421-Q1423 VanDerWaalsContact O-N 3.1Å; A1421-P1469 CarbonylContact C-O 3.45Å; A1421-P1469 VanDerWaalsContact CA-O 3.25Å; A1421-P1469 WeakPolarHBondContact CA-O 3.44Å; A1421-V1472 HydrophobicContact CB-CG2 4.23Å; A1421-V1495 HydrophobicContact CB-CG1 3.83Å; A1421-A1496 WeakPolarHBondContact CB-O 3.29Å; A1421-A1496 PolarHBondContact N-O 2.85Å; A1421-S1498 WeakPolarHBondContact O-CB 3.38Å; A1421-S1498 PolarHBondContact O-OG 2.68Å |
| 1422 | T | 83.3 | Confident | 81 | Confident | 6 Ų | 6 | 58.8 Ų | 58.8 | 4% | 0.037 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 9.7 | -176.4 | 70.1 | 0 | 0 | 0 | 0 | 115.9 | P1469 M1470 S1498 Q1533 T1535 | T1422-P1469 PolarHBondContact N-O 2.84Å; T1422-M1470 HydrophobicContact CG2-SD 4.22Å; T1422-S1498 PolarHBondContact OG1-OG 2.95Å; T1422-Q1533 HydrophobicContact CG2-CB 4.44Å; T1422-Q1533 PolarHBondContact OG1-N 3.39Å; T1422-T1535 HydrophobicContact CG2-CG2 4.08Å |
| 1423 | Q | 81.6 | Confident | 81.2 | Confident | 81 Ų | 81 | 58.1 Ų | 58.1 | 38% | 0.379 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -102.3 | 135.8 | 164.2 | -64 | -168.2 | -8.8 | 0 | 0 | 109.5 | P1420 A1421 P1469 | P1420-Q1423 HydrophobicContact CB-CG 4.29Å; P1420-Q1423 HydrophobicContact CG-CB 4.08Å; P1420-Q1423 HydrophobicContact CG-CG 4.1Å; P1420-Q1423 PolarHBondContact O-N 2.83Å; A1421-Q1423 PolarHBondContact O-N 3.2Å; A1421-Q1423 VanDerWaalsContact O-N 3.1Å; Q1423-P1469 WeakPolarHBondContact O-CD 3.4Å |
| 1424 | P | 86.2 | Confident | 82.1 | Confident | 102 Ų | 102 | 54.1 Ų | 54.1 | 66% | 0.662 | 29% | 0.294 | S | S | * | . | trans | -64.2 | 137.8 | 174.8 | 26.8 | -33.7 | 0 | 0 | 0 | 110.4 | T1468 | P1424-T1468 WeakPolarHBondContact CA-OG1 3.38Š| ||
| 1425 | T | 88.8 | Confident | 82.8 | Confident | 16 Ų | 16 | 49.9 Ų | 49.9 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 158.3 | 171.2 | -162.6 | 0 | 0 | 0 | 0 | 110.2 | G1410 L1419 H1466 Y1467 | G1410-T1425 WeakPolarHBondContact CA-OG1 3.22Å; G1410-T1425 PolarHBondContact N-OG1 2.91Å; L1419-T1425 HydrophobicContact CD1-CG2 3.82Å; T1425-H1466 WeakPolarHBondContact O-CA 3.32Å; T1425-Y1467 HydrophobicContact CG2-CD1 3.74Å; T1425-Y1467 HydrophobicContact CG2-CD2 4.21Å; T1425-Y1467 HydrophobicContact CG2-CE1 3.37Å; T1425-Y1467 HydrophobicContact CG2-CE2 3.87Å; T1425-Y1467 HydrophobicContact CG2-CG 4.14Å; T1425-Y1467 VanDerWaalsContact CG2-CZ 3.43Å; T1425-Y1467 WeakPolarHBondContact CG2-O 3.36Å; T1425-Y1467 PolarHBondContact N-O 2.88Å; T1425-Y1467 PolarHBondContact O-N 2.92Å |
| 1426 | S | 90.4 | Very high | 83.3 | Confident | 59 Ų | 59 | 51.5 Ų | 51.5 | 41% | 0.413 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 149.1 | -177 | 61.7 | 0 | 0 | 0 | 0 | 113.2 | E1409 G1410 C1465 H1466 | E1409-S1426 PolarHBondContact N-O 3.17Å; G1410-S1426 PolarHBondContact N-O 3.28Å; S1426-C1465 VanDerWaalsContact CA-O 3.26Å; S1426-C1465 WeakPolarHBondContact CA-O 3.49Å; S1426-H1466 VanDerWaalsContact CB-CE1 3.46Å; S1426-H1466 WeakPolarHBondContact CB-CE1 3.32Å; S1426-H1466 VanDerWaalsContact CB-ND1 3.33Å; S1426-H1466 WeakPolarHBondContact CB-ND1 3.36Å |
| 1427 | F | 93.3 | Very high | 83.7 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.018 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 156.1 | 163.7 | 65.2 | -90.7 | 0 | 0 | 0 | 109 | V1406 V1411 V1429 L1441 L1453 C1465 Y1467 V1477 | V1406-F1427 HydrophobicContact CG1-CD2 3.71Å; V1406-F1427 HydrophobicContact CG1-CE2 4.32Å; V1411-F1427 HydrophobicContact CG1-CB 4.03Å; V1411-F1427 HydrophobicContact CG1-CD1 3.84Å; V1411-F1427 HydrophobicContact CG1-CD2 3.99Å; V1411-F1427 HydrophobicContact CG1-CE1 4.25Å; V1411-F1427 HydrophobicContact CG1-CE2 4.38Å; V1411-F1427 HydrophobicContact CG1-CG 3.7Å; V1411-F1427 HydrophobicContact CG1-CZ 4.5Å; V1411-F1427 HydrophobicContact CG2-CB 4.07Å; F1427-V1429 HydrophobicContact CD2-CG2 4.08Å; F1427-V1429 HydrophobicContact CE2-CG2 3.84Å; F1427-L1441 HydrophobicContact CE2-CD2 4.23Å; F1427-L1441 HydrophobicContact CZ-CD2 4.38Å; F1427-L1453 HydrophobicContact CE1-CD1 4.03Å; F1427-L1453 HydrophobicContact CZ-CD1 4.19Å; F1427-L1453 HydrophobicContact CZ-CD2 4.47Å; F1427-C1465 HydrophobicContact CD1-CB 4.05Å; F1427-C1465 HydrophobicContact CD2-CB 3.81Å; F1427-C1465 HydrophobicContact CE1-CB 3.73Å; F1427-C1465 HydrophobicContact CE2-CB 3.49Å; F1427-C1465 VanDerWaalsContact CE2-CB 3.49Å; F1427-C1465 HydrophobicContact CG-CB 4.09Å; F1427-C1465 HydrophobicContact CZ-CB 3.44Å; F1427-C1465 VanDerWaalsContact CZ-CB 3.44Å; F1427-C1465 PolarHBondContact N-O 3.39Å; F1427-C1465 WeakPolarHBondContact O-CA 3.04Å; F1427-C1465 WeakPolarHBondContact O-CB 3.34Å; F1427-C1465 PolarHBondContact O-N 2.76Å; F1427-C1465 VanDerWaalsContact O-O 3.09Å; F1427-Y1467 HydrophobicContact CD1-CD1 4.37Å; F1427-Y1467 HydrophobicContact CD1-CE1 4.2Å; F1427-Y1467 HydrophobicContact CE1-CD1 4.04Å; F1427-Y1467 HydrophobicContact CE1-CE1 4.08Å; F1427-V1477 HydrophobicContact CE1-CG1 3.96Å; F1427-V1477 HydrophobicContact CE2-CG1 4.45Å; F1427-V1477 HydrophobicContact CZ-CG1 3.71Å |
| 1428 | Q | 91.4 | Very high | 84.1 | Confident | 74 Ų | 74 | 44.6 Ų | 44.6 | 35% | 0.346 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 138.9 | 179.7 | -166.4 | 173 | 10.7 | 0 | 0 | 109.3 | V1406 T1407 T1462 Y1463 V1464 | V1406-Q1428 CarbonylContact C-O 3.59Å; V1406-Q1428 VanDerWaalsContact CA-O 3.3Å; V1406-Q1428 WeakPolarHBondContact CA-O 3.43Å; T1407-Q1428 PolarHBondContact N-O 3.47Å; T1407-Q1428 PolarHBondContact O-N 3.06Å; Q1428-T1462 PolarHBondContact NE2-OG1 2.94Å; Q1428-Y1463 CarbonylContact C-O 3.56Å; Q1428-Y1463 VanDerWaalsContact CA-O 3.26Å; Q1428-Y1463 WeakPolarHBondContact CA-O 3.23Å; Q1428-V1464 HydrophobicContact CG-CG2 4Å |
| 1429 | V | 93.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 121.5 | 172.2 | -174.9 | 0 | 0 | 0 | 0 | 107.7 | V1404 R1405 V1406 F1427 T1431 L1439 L1441 T1462 Y1463 | V1404-V1429 HydrophobicContact CG1-CG1 3.52Å; R1405-V1429 CarbonylContact O-C 3.53Å; R1405-V1429 WeakPolarHBondContact O-CA 3.36Å; V1406-V1429 HydrophobicContact CG1-CG2 4.31Å; V1406-V1429 HydrophobicContact CG2-CG1 4.26Å; V1406-V1429 HydrophobicContact CG2-CG2 4.15Å; F1427-V1429 HydrophobicContact CD2-CG2 4.08Å; F1427-V1429 HydrophobicContact CE2-CG2 3.84Å; V1429-T1431 HydrophobicContact CG1-CG2 4Å; V1429-L1439 HydrophobicContact CG1-CD1 4.14Å; V1429-L1439 HydrophobicContact CG1-CD2 4.29Å; V1429-L1441 HydrophobicContact CG2-CD2 4.33Å; V1429-T1462 CarbonylContact O-C 3.59Å; V1429-T1462 VanDerWaalsContact O-CA 3.32Å; V1429-T1462 WeakPolarHBondContact O-CA 3.29Å; V1429-Y1463 PolarHBondContact N-O 3.38Å; V1429-Y1463 PolarHBondContact O-N 2.9Å |
| 1430 | D | 89 | Confident | 84.9 | Confident | 37 Ų | 37 | 50.6 Ų | 50.6 | 20% | 0.198 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 115.9 | 177.5 | -172.4 | -10.3 | 0 | 0 | 0 | 109.1 | V1404 R1405 R1432 T1462 | V1404-D1430 VanDerWaalsContact CA-O 3.32Å; V1404-D1430 WeakPolarHBondContact CA-O 3.24Å; R1405-D1430 HydrophobicContact CB-CB 4.37Å; R1405-D1430 PolarHBondContact N-O 2.95Å; R1405-D1430 PolarHBondContact O-N 2.99Å; D1430-R1432 WeakPolarHBondContact OD1-CB 3.36Å; D1430-R1432 VanDerWaalsContact OD1-CG 3.3Å; D1430-R1432 WeakPolarHBondContact OD1-CG 3.49Å; D1430-R1432 IonicContact OD1-CZ 3.28Å; D1430-R1432 PolarHBondContact OD1-N 3.07Å; D1430-R1432 IonicContact OD1-NE 2.62Å; D1430-R1432 PolarHBondContact OD1-NE 3.23Å; D1430-R1432 IonicContact OD1-NH2 2.91Å; D1430-R1432 IonicContact OD2-CZ 2.67Å; D1430-R1432 IonicContact OD2-NE 2.81Å; D1430-R1432 PolarHBondContact OD2-NE 3.37Å; D1430-R1432 IonicContact OD2-NH2 2.72Å; D1430-R1432 PolarHBondContact OD2-NH2 3.06Å; D1430-T1462 HydrophobicContact CB-CG2 4.07Å |
| 1431 | T | 89.5 | Confident | 85.1 | Confident | 7 Ų | 7 | 50.5 Ų | 50.5 | 4% | 0.043 | 27% | 0.268 | C | S | . | . | trans | -114.3 | 4.8 | -179.8 | 72.6 | 0 | 0 | 0 | 0 | 112.8 | V1404 V1429 D1433 A1434 G1435 G1461 Y1463 Y1481 | V1404-T1431 HydrophobicContact CG1-CG2 4.14Å; V1404-T1431 HydrophobicContact CG2-CG2 4.14Å; V1429-T1431 HydrophobicContact CG1-CG2 4Å; T1431-D1433 VanDerWaalsContact C-N 3.32Å; T1431-D1433 PolarHBondContact O-N 3.21Å; T1431-A1434 WeakPolarHBondContact O-CA 3.3Å; T1431-A1434 VanDerWaalsContact O-CB 3.27Å; T1431-A1434 WeakPolarHBondContact O-CB 3.32Å; T1431-A1434 PolarHBondContact O-N 2.96Å; T1431-G1435 PolarHBondContact O-N 2.97Å; T1431-G1461 PolarHBondContact N-O 3.17Å; T1431-G1461 PolarHBondContact OG1-O 2.98Å; T1431-Y1463 HydrophobicContact CG2-CD2 4.04Å; T1431-Y1463 HydrophobicContact CG2-CE2 3.82Å; T1431-Y1481 HydrophobicContact CG2-CD2 4.1Å; T1431-Y1481 HydrophobicContact CG2-CE2 3.58Å | ||
| 1432 | R | 83.6 | Confident | 85.5 | Confident | 133 Ų | 133 | 52.6 Ų | 52.6 | 50% | 0.502 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -42.2 | -169.5 | -66 | 179.7 | -69.6 | -169.9 | 2.6 | 113.6 | D1430 A1434 D1460 T1462 | D1430-R1432 WeakPolarHBondContact OD1-CB 3.36Å; D1430-R1432 VanDerWaalsContact OD1-CG 3.3Å; D1430-R1432 WeakPolarHBondContact OD1-CG 3.49Å; D1430-R1432 IonicContact OD1-CZ 3.28Å; D1430-R1432 PolarHBondContact OD1-N 3.07Å; D1430-R1432 IonicContact OD1-NE 2.62Å; D1430-R1432 PolarHBondContact OD1-NE 3.23Å; D1430-R1432 IonicContact OD1-NH2 2.91Å; D1430-R1432 IonicContact OD2-CZ 2.67Å; D1430-R1432 IonicContact OD2-NE 2.81Å; D1430-R1432 PolarHBondContact OD2-NE 3.37Å; D1430-R1432 IonicContact OD2-NH2 2.72Å; D1430-R1432 PolarHBondContact OD2-NH2 3.06Å; R1432-A1434 VanDerWaalsContact C-N 3.29Å; R1432-A1434 PolarHBondContact O-N 2.95Å; R1432-D1460 WeakPolarHBondContact CD-O 3.39Å; R1432-D1460 WeakPolarHBondContact CD-OD2 3.34Å; R1432-D1460 WeakPolarHBondContact CG-O 3.49Å; R1432-D1460 IonicContact CZ-OD2 2.74Å; R1432-D1460 IonicContact NE-OD2 3.73Å; R1432-D1460 IonicContact NH1-OD2 3.64Å; R1432-D1460 PolarHBondContact NH1-OD2 2.88Å; R1432-T1462 HydrophobicContact CG-CG2 4.32Å |
| 1433 | D | 79.4 | Confident | 85.8 | Confident | 89 Ų | 89 | 52.3 Ų | 52.3 | 48% | 0.476 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -13 | 176.6 | -82.5 | -33 | 0 | 0 | 0 | 113.6 | R1318 R1403 T1431 | R1318-D1433 PolarHBondContact NH2-O 3.22Å; R1403-D1433 HydrophobicContact CB-CB 4.17Å; R1403-D1433 WeakPolarHBondContact CD-O 3.31Å; T1431-D1433 VanDerWaalsContact C-N 3.32Å; T1431-D1433 PolarHBondContact O-N 3.21Å |
| 1434 | A | 82.4 | Confident | 86 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -37.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1318 F1399 E1400 R1403 V1404 T1431 R1432 Y1481 | R1318-A1434 PolarHBondContact NH1-O 2.78Å; R1318-A1434 PolarHBondContact NH2-O 3.35Å; F1399-A1434 CarbonylContact C-O 3.25Å; F1399-A1434 WeakPolarHBondContact CA-O 3.44Å; E1400-A1434 PolarHBondContact N-O 2.87Å; E1400-A1434 WeakPolarHBondContact O-CB 3.26Å; R1403-A1434 HydrophobicContact CB-CB 4Å; V1404-A1434 HydrophobicContact CG2-CB 3.79Å; T1431-A1434 WeakPolarHBondContact O-CA 3.3Å; T1431-A1434 VanDerWaalsContact O-CB 3.27Å; T1431-A1434 WeakPolarHBondContact O-CB 3.32Å; T1431-A1434 PolarHBondContact O-N 2.96Å; R1432-A1434 VanDerWaalsContact C-N 3.29Å; R1432-A1434 PolarHBondContact O-N 2.95Å; A1434-Y1481 HydrophobicContact CB-CD1 4.14Å; A1434-Y1481 HydrophobicContact CB-CE1 3.59Å |
| 1435 | G | 76.3 | Confident | 86 | Confident | 11 Ų | 11 | 48 Ų | 48 | 11% | 0.113 | 25% | 0.254 | C | S | . | . | trans | 76.5 | 149.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A1398 F1399 T1431 G1437 Y1481 | A1398-G1435 CarbonylContact O-C 3.49Å; F1399-G1435 WeakPolarHBondContact CA-O 3.44Å; F1399-G1435 WeakPolarHBondContact CB-O 3.2Å; T1431-G1435 PolarHBondContact O-N 2.97Å; G1435-G1437 PolarHBondContact O-N 2.85Å; G1435-Y1481 WeakPolarHBondContact O-CE1 3.22Å; G1435-Y1481 PolarHBondContact O-OH 2.84Å; G1435-Y1481 VanDerWaalsContact O-OH 3.07Å | ||
| 1436 | L | 74 | Confident | 85.6 | Confident | 119 Ų | 119 | 49.7 Ų | 49.7 | 62% | 0.623 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -46.8 | 107.9 | -168.3 | -79.7 | 76.1 | 0 | 0 | 0 | 114.7 | Q1321 | Q1321-L1436 HydrophobicContact CG-CB 4.09Å; Q1321-L1436 HydrophobicContact CG-CD1 4.47Å |
| 1437 | G | 74.7 | Confident | 85.1 | Confident | 15 Ų | 15 | 53.1 Ų | 53.1 | 16% | 0.155 | 28% | 0.278 | C | S | . | . | trans | -128.6 | 157.7 | 147.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | G1435 L1439 Y1481 | G1435-G1437 PolarHBondContact O-N 2.85Å; G1437-L1439 PolarHBondContact O-N 3.02Å; G1437-Y1481 PolarHBondContact N-OH 2.76Å; G1437-Y1481 WeakPolarHBondContact O-CD2 3.11Å; G1437-Y1481 WeakPolarHBondContact O-CE2 3.38Å; G1437-Y1481 VanDerWaalsContact O-CZ 3.32Å | ||
| 1438 | D | 79 | Confident | 84.3 | Confident | 130 Ų | 130 | 55.2 Ų | 55.2 | 70% | 0.695 | 30% | 0.301 | S | S | * | . | trans | -63 | 125.6 | -177.5 | -62 | -52.3 | 0 | 0 | 0 | 111.7 | E1440 Y1481 G1482 | D1438-E1440 PolarHBondContact O-N 2.67Å; D1438-Y1481 CarbonylContact O-C 3.59Å; D1438-Y1481 WeakPolarHBondContact O-CA 3.31Å; D1438-G1482 PolarHBondContact O-N 2.8Å | ||
| 1439 | L | 88.7 | Confident | 83.5 | Confident | 39 Ų | 39 | 57.7 Ų | 57.7 | 20% | 0.204 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 88.9 | 176 | 177.9 | 53.6 | 0 | 0 | 0 | 110 | V1429 G1437 L1441 Y1463 V1479 K1480 Y1481 | V1429-L1439 HydrophobicContact CG1-CD1 4.14Å; V1429-L1439 HydrophobicContact CG1-CD2 4.29Å; G1437-L1439 PolarHBondContact O-N 3.02Å; L1439-L1441 HydrophobicContact CD1-CD1 4.17Å; L1439-L1441 HydrophobicContact CD1-CD2 4.26Å; L1439-L1441 HydrophobicContact CD1-CG 3.87Å; L1439-L1441 HydrophobicContact CD2-CD1 3.88Å; L1439-L1441 HydrophobicContact CD2-CG 4.47Å; L1439-L1441 HydrophobicContact CG-CD1 3.8Å; L1439-L1441 HydrophobicContact CG-CG 3.89Å; L1439-L1441 PolarHBondContact O-N 3.12Å; L1439-Y1463 HydrophobicContact CD2-CD1 3.97Å; L1439-Y1463 HydrophobicContact CD2-CD2 3.29Å; L1439-Y1463 HydrophobicContact CD2-CE1 4.27Å; L1439-Y1463 HydrophobicContact CD2-CE2 3.66Å; L1439-Y1463 HydrophobicContact CD2-CG 3.48Å; L1439-Y1463 VanDerWaalsContact CD2-CG 3.48Å; L1439-V1479 HydrophobicContact CD1-CG1 4.05Å; L1439-K1480 WeakPolarHBondContact CD1-O 3.46Å; L1439-Y1481 HydrophobicContact CB-CD2 4.07Å; L1439-Y1481 HydrophobicContact CB-CE2 4.17Å; L1439-Y1481 HydrophobicContact CD1-CD2 4.24Å |
| 1440 | E | 89.4 | Confident | 82.9 | Confident | 103 Ų | 103 | 62.4 Ų | 62.4 | 48% | 0.481 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 108.7 | 173.5 | -106.5 | -174.8 | -133.3 | 0 | 0 | 109.6 | D1438 K1480 | D1438-E1440 PolarHBondContact O-N 2.67Å; E1440-K1480 HydrophobicContact CB-CB 3.68Å; E1440-K1480 HydrophobicContact CB-CD 3.83Å; E1440-K1480 HydrophobicContact CB-CG 4.42Å; E1440-K1480 HydrophobicContact CG-CD 4.47Å; E1440-K1480 PolarHBondContact N-O 2.92Å; E1440-K1480 VanDerWaalsContact N-O 3.14Å; E1440-K1480 PolarHBondContact O-N 3.14Å; E1440-K1480 IonicContact OE1-NZ 3.51Å; E1440-K1480 WeakPolarHBondContact OE2-CD 3.44Å; E1440-K1480 WeakPolarHBondContact OE2-CE 3.46Å; E1440-K1480 IonicContact OE2-NZ 3.6Å; E1440-K1480 PolarHBondContact OE2-NZ 2.88Å |
| 1441 | L | 90.8 | Very high | 82.6 | Confident | 35 Ų | 35 | 62.2 Ų | 62.2 | 18% | 0.183 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 140 | 176 | -74.8 | 166.5 | 0 | 0 | 0 | 111.1 | F1427 V1429 L1439 L1453 V1455 C1465 R1478 V1479 | F1427-L1441 HydrophobicContact CE2-CD2 4.23Å; F1427-L1441 HydrophobicContact CZ-CD2 4.38Å; V1429-L1441 HydrophobicContact CG2-CD2 4.33Å; L1439-L1441 HydrophobicContact CD1-CD1 4.17Å; L1439-L1441 HydrophobicContact CD1-CD2 4.26Å; L1439-L1441 HydrophobicContact CD1-CG 3.87Å; L1439-L1441 HydrophobicContact CD2-CD1 3.88Å; L1439-L1441 HydrophobicContact CD2-CG 4.47Å; L1439-L1441 HydrophobicContact CG-CD1 3.8Å; L1439-L1441 HydrophobicContact CG-CG 3.89Å; L1439-L1441 PolarHBondContact O-N 3.12Å; L1441-L1453 HydrophobicContact CB-CD2 3.59Å; L1441-L1453 HydrophobicContact CD1-CD2 4.19Å; L1441-L1453 HydrophobicContact CG-CD2 4.34Å; L1441-V1455 HydrophobicContact CD1-CG1 4.04Å; L1441-V1455 HydrophobicContact CD1-CG2 3.77Å; L1441-C1465 VanDerWaalsContact CD1-SG 3.59Å; L1441-R1478 WeakPolarHBondContact CA-O 3.36Å; L1441-V1479 HydrophobicContact CD2-CB 4.07Å; L1441-V1479 HydrophobicContact CD2-CG1 3.81Å; L1441-V1479 HydrophobicContact CD2-CG2 3.69Å |
| 1442 | S | 89.9 | Confident | 82.3 | Confident | 44 Ų | 44 | 70.5 Ų | 70.5 | 31% | 0.308 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 141.4 | 169.3 | 49.1 | 0 | 0 | 0 | 0 | 112.2 | V1477 R1478 | S1442-V1477 WeakPolarHBondContact O-CA 3.41Å; S1442-R1478 PolarHBondContact N-O 2.92Å; S1442-R1478 PolarHBondContact O-N 3.27Å; S1442-R1478 WeakPolarHBondContact OG-CB 3.48Å |
| 1443 | V | 90 | Very high | 82.5 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.006 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 134 | 170.3 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | P1450 L1451 L1453 Y1467 T1476 V1477 | V1443-P1450 CarbonylContact O-C 3.44Å; V1443-P1450 WeakPolarHBondContact O-CA 3.45Å; V1443-L1451 HydrophobicContact CB-CB 4.21Å; V1443-L1451 HydrophobicContact CG1-CB 4.15Å; V1443-L1451 HydrophobicContact CG1-CD1 4.1Å; V1443-L1451 PolarHBondContact O-N 2.99Å; V1443-L1453 HydrophobicContact CG2-CB 4.37Å; V1443-L1453 HydrophobicContact CG2-CD1 3.79Å; V1443-L1453 HydrophobicContact CG2-CD2 4.27Å; V1443-L1453 HydrophobicContact CG2-CG 4.38Å; V1443-Y1467 HydrophobicContact CG1-CD2 4.02Å; V1443-Y1467 HydrophobicContact CG1-CE2 4.07Å; V1443-Y1467 HydrophobicContact CG1-CG 4.35Å; V1443-Y1467 HydrophobicContact CG2-CD1 4.17Å; V1443-Y1467 HydrophobicContact CG2-CG 4.3Å; V1443-T1476 CarbonylContact C-O 3.54Å; V1443-T1476 WeakPolarHBondContact CA-O 3.45Å; V1443-V1477 HydrophobicContact CG1-CG2 4.3Å; V1443-V1477 HydrophobicContact CG2-CG1 4.21Å; V1443-V1477 HydrophobicContact CG2-CG2 4.08Å |
| 1444 | M | 86.3 | Confident | 82.7 | Confident | 77 Ų | 77 | 67.5 Ų | 67.5 | 38% | 0.379 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 139.2 | 173.7 | -61.5 | 176.2 | -173.5 | 0 | 0 | 110.3 | Q1449 H1475 T1476 | M1444-Q1449 WeakPolarHBondContact CA-O 3.13Å; M1444-H1475 CarbonylContact O-C 3.43Å; M1444-H1475 WeakPolarHBondContact O-CA 3.26Å; M1444-H1475 WeakPolarHBondContact O-CB 3.39Å; M1444-T1476 PolarHBondContact N-O 3.22Å; M1444-T1476 PolarHBondContact O-N 3.09Å |
| 1445 | D | 85.9 | Confident | 83 | Confident | 16 Ų | 16 | 70.4 Ų | 70.4 | 9% | 0.086 | 39% | 0.388 | C | S | . | . | trans | -77.6 | 177.1 | 171.3 | 86.4 | -1.5 | 0 | 0 | 0 | 111.7 | D1447 G1448 Q1449 L1451 | D1445-D1447 VanDerWaalsContact C-N 3.27Å; D1445-D1447 PolarHBondContact O-N 3.14Å; D1445-D1447 WeakPolarHBondContact OD1-CA 3.34Å; D1445-D1447 PolarHBondContact OD1-N 2.92Å; D1445-G1448 PolarHBondContact O-N 2.84Å; D1445-G1448 PolarHBondContact OD1-N 3.07Å; D1445-Q1449 PolarHBondContact N-O 2.94Å; D1445-Q1449 PolarHBondContact OD1-N 3.31Å; D1445-L1451 HydrophobicContact CB-CD1 3.81Å; D1445-L1451 HydrophobicContact CB-CG 4.13Å | ||
| 1446 | P | 80.9 | Confident | 83.3 | Confident | 51 Ų | 51 | 73 Ų | 73 | 33% | 0.331 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -20.7 | -177.5 | -18.3 | 32.7 | 0 | 0 | 0 | 114.7 | G1448 R1474 | P1446-G1448 VanDerWaalsContact C-N 3.32Å; P1446-R1474 WeakPolarHBondContact CA-O 3.38Å |
| 1447 | D | 80.2 | Confident | 83.7 | Confident | 131 Ų | 131 | 71.2 Ų | 71.2 | 70% | 0.701 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -0.3 | 177.1 | -70.4 | -31.8 | 0 | 0 | 0 | 111.6 | D1445 | D1445-D1447 VanDerWaalsContact C-N 3.27Å; D1445-D1447 PolarHBondContact O-N 3.14Å; D1445-D1447 WeakPolarHBondContact OD1-CA 3.34Å; D1445-D1447 PolarHBondContact OD1-N 2.92Å |
| 1448 | G | 76.2 | Confident | 83.9 | Confident | 48 Ų | 48 | 74.2 Ų | 74.2 | 50% | 0.495 | 41% | 0.408 | S | S | . | . | S | Bend | trans | 83.1 | 12.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D1445 P1446 | D1445-G1448 PolarHBondContact O-N 2.84Å; D1445-G1448 PolarHBondContact OD1-N 3.07Å; P1446-G1448 VanDerWaalsContact C-N 3.32Å |
| 1449 | Q | 74.5 | Confident | 83.6 | Confident | 125 Ų | 125 | 71.5 Ų | 71.5 | 58% | 0.584 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -78 | 140.7 | 171.3 | -62.7 | -61.8 | -56.9 | 0 | 0 | 110.3 | M1444 D1445 L1451 | M1444-Q1449 WeakPolarHBondContact CA-O 3.13Å; D1445-Q1449 PolarHBondContact N-O 2.94Å; D1445-Q1449 PolarHBondContact OD1-N 3.31Å; Q1449-L1451 PolarHBondContact O-N 2.93Å |
| 1450 | P | 79.7 | Confident | 83.1 | Confident | 100 Ų | 100 | 73.2 Ų | 73.2 | 65% | 0.649 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 127.6 | 170.1 | 29.3 | -32.8 | 0 | 0 | 0 | 109.8 | V1443 | V1443-P1450 CarbonylContact O-C 3.44Å; V1443-P1450 WeakPolarHBondContact O-CA 3.45Å |
| 1451 | L | 84.1 | Confident | 82.4 | Confident | 33 Ų | 33 | 69.1 Ų | 69.1 | 17% | 0.173 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 146.1 | 170.1 | -89.6 | 157 | 0 | 0 | 0 | 110.3 | V1443 D1445 Q1449 L1453 H1475 | V1443-L1451 HydrophobicContact CB-CB 4.21Å; V1443-L1451 HydrophobicContact CG1-CB 4.15Å; V1443-L1451 HydrophobicContact CG1-CD1 4.1Å; V1443-L1451 PolarHBondContact O-N 2.99Å; D1445-L1451 HydrophobicContact CB-CD1 3.81Å; D1445-L1451 HydrophobicContact CB-CG 4.13Å; Q1449-L1451 PolarHBondContact O-N 2.93Å; L1451-L1453 PolarHBondContact O-N 3.5Å; L1451-L1453 VanDerWaalsContact O-N 3.11Å; L1451-H1475 WeakPolarHBondContact CD1-CD2 3.47Å; L1451-H1475 WeakPolarHBondContact CD1-NE2 3.16Å |
| 1452 | Q | 81.8 | Confident | 82.2 | Confident | 181 Ų | 181 | 67.6 Ų | 67.6 | 85% | 0.846 | 40% | 0.397 | S | S | * | . | trans | -65.6 | 111.7 | 170.7 | -169.6 | 171.5 | 2 | 0 | 0 | 108.9 | ||||
| 1453 | L | 88.4 | Confident | 82.2 | Confident | 32 Ų | 32 | 67.7 Ų | 67.7 | 17% | 0.168 | 39% | 0.391 | C | S | . | . | trans | -99.8 | 114.4 | 173.1 | -177.9 | 70.6 | 0 | 0 | 0 | 107.5 | F1427 L1441 V1443 L1451 V1455 C1465 Y1467 | F1427-L1453 HydrophobicContact CE1-CD1 4.03Å; F1427-L1453 HydrophobicContact CZ-CD1 4.19Å; F1427-L1453 HydrophobicContact CZ-CD2 4.47Å; L1441-L1453 HydrophobicContact CB-CD2 3.59Å; L1441-L1453 HydrophobicContact CD1-CD2 4.19Å; L1441-L1453 HydrophobicContact CG-CD2 4.34Å; V1443-L1453 HydrophobicContact CG2-CB 4.37Å; V1443-L1453 HydrophobicContact CG2-CD1 3.79Å; V1443-L1453 HydrophobicContact CG2-CD2 4.27Å; V1443-L1453 HydrophobicContact CG2-CG 4.38Å; L1451-L1453 PolarHBondContact O-N 3.5Å; L1451-L1453 VanDerWaalsContact O-N 3.11Å; L1453-V1455 HydrophobicContact CD2-CG2 3.76Å; L1453-V1455 HydrophobicContact CG-CG2 3.81Å; L1453-C1465 HydrophobicContact CD1-CB 4.07Å; L1453-Y1467 HydrophobicContact CD1-CD1 4.16Å; L1453-Y1467 HydrophobicContact CD1-CG 4.45Å | ||
| 1454 | E | 84 | Confident | 82.1 | Confident | 127 Ų | 127 | 69.4 Ų | 69.4 | 59% | 0.593 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 117.7 | 171.4 | -172.8 | 169.2 | -123.1 | 0 | 0 | 107.8 | V1456 C1465 H1466 | E1454-V1456 HydrophobicContact CG-CG2 4.47Å; E1454-C1465 CarbonylContact O-C 3.56Å; E1454-C1465 WeakPolarHBondContact O-CA 3.1Å; E1454-H1466 HydrophobicContact CB-CB 4.26Å; E1454-H1466 PolarHBondContact N-O 3.09Å; E1454-H1466 PolarHBondContact O-N 2.88Å |
| 1455 | V | 88.3 | Confident | 82.4 | Confident | 61 Ų | 61 | 65.8 Ų | 65.8 | 37% | 0.37 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 98.6 | -178.3 | -177.2 | 0 | 0 | 0 | 0 | 107.9 | L1441 L1453 D1457 Y1463 | L1441-V1455 HydrophobicContact CD1-CG1 4.04Å; L1441-V1455 HydrophobicContact CD1-CG2 3.77Å; L1453-V1455 HydrophobicContact CD2-CG2 3.76Å; L1453-V1455 HydrophobicContact CG-CG2 3.81Å; V1455-D1457 PolarHBondContact O-N 2.86Å; V1455-Y1463 HydrophobicContact CG1-CD1 3.86Å; V1455-Y1463 HydrophobicContact CG1-CG 4.32Å |
| 1456 | V | 82.7 | Confident | 82.6 | Confident | 66 Ų | 66 | 68.2 Ų | 68.2 | 40% | 0.4 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 102.7 | 173.9 | -176.6 | 0 | 0 | 0 | 0 | 107.7 | E1454 V1458 Y1463 V1464 | E1454-V1456 HydrophobicContact CG-CG2 4.47Å; V1456-V1458 PolarHBondContact O-N 3.33Å; V1456-Y1463 CarbonylContact O-C 3.38Å; V1456-Y1463 WeakPolarHBondContact O-CA 3.36Å; V1456-V1464 HydrophobicContact CB-CB 4.37Å; V1456-V1464 WeakPolarHBondContact CB-O 3.05Å; V1456-V1464 PolarHBondContact N-O 2.79Å; V1456-V1464 PolarHBondContact O-N 3.08Å |
| 1457 | D | 82.6 | Confident | 83.1 | Confident | 81 Ų | 81 | 66 Ų | 66 | 43% | 0.433 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 122.7 | 161.9 | -165.7 | -27.6 | 0 | 0 | 0 | 107.9 | V1455 G1459 Y1463 | V1455-D1457 PolarHBondContact O-N 2.86Å; D1457-G1459 PolarHBondContact O-N 3.02Å; D1457-G1459 WeakPolarHBondContact OD1-CA 3.36Å; D1457-G1459 PolarHBondContact OD1-N 3.43Å; D1457-Y1463 HydrophobicContact CB-CD1 3.83Å; D1457-Y1463 HydrophobicContact CB-CE1 3.72Å; D1457-Y1463 WeakPolarHBondContact OD2-CE1 3.3Å; D1457-Y1463 PolarHBondContact OD2-OH 3.39Å |
| 1458 | V | 79.1 | Confident | 83.4 | Confident | 78 Ų | 78 | 61.7 Ų | 61.7 | 47% | 0.473 | 36% | 0.358 | S | S | . | . | trans | -77.7 | -8.6 | 179.3 | -175.8 | 0 | 0 | 0 | 0 | 110.7 | V1456 D1460 T1462 V1464 | V1456-V1458 PolarHBondContact O-N 3.33Å; V1458-D1460 PolarHBondContact O-N 3.02Å; V1458-T1462 VanDerWaalsContact CB-O 3.3Å; V1458-T1462 WeakPolarHBondContact CB-O 3.37Å; V1458-T1462 WeakPolarHBondContact CG2-O 3.47Å; V1458-T1462 PolarHBondContact N-O 2.79Å; V1458-V1464 HydrophobicContact CG2-CB 4.15Å; V1458-V1464 HydrophobicContact CG2-CG2 3.6Å | ||
| 1459 | G | 72 | Confident | 83.8 | Confident | 72 Ų | 72 | 59.4 Ų | 59.4 | 74% | 0.742 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 82.1 | -7.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D1457 | D1457-G1459 PolarHBondContact O-N 3.02Å; D1457-G1459 WeakPolarHBondContact OD1-CA 3.36Å; D1457-G1459 PolarHBondContact OD1-N 3.43Å |
| 1460 | D | 78 | Confident | 84.1 | Confident | 75 Ų | 75 | 56.9 Ų | 56.9 | 40% | 0.401 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -97.2 | -2.4 | 177.6 | 87.6 | -44 | 0 | 0 | 0 | 113.6 | R1432 V1458 T1462 | R1432-D1460 WeakPolarHBondContact CD-O 3.39Å; R1432-D1460 WeakPolarHBondContact CD-OD2 3.34Å; R1432-D1460 WeakPolarHBondContact CG-O 3.49Å; R1432-D1460 IonicContact CZ-OD2 2.74Å; R1432-D1460 IonicContact NE-OD2 3.73Å; R1432-D1460 IonicContact NH1-OD2 3.64Å; R1432-D1460 PolarHBondContact NH1-OD2 2.88Å; V1458-D1460 PolarHBondContact O-N 3.02Å; D1460-T1462 WeakPolarHBondContact OD1-CB 3.45Å; D1460-T1462 PolarHBondContact OD1-N 2.87Å; D1460-T1462 PolarHBondContact OD1-OG1 3.1Å |
| 1461 | G | 75.9 | Confident | 84.2 | Confident | 17 Ų | 17 | 54.2 Ų | 54.2 | 18% | 0.175 | 30% | 0.303 | C | S | . | . | S | Bend | trans | 90.6 | 9.2 | -170 | 0 | 0 | 0 | 0 | 0 | 114.2 | T1431 | T1431-G1461 PolarHBondContact N-O 3.17Å; T1431-G1461 PolarHBondContact OG1-O 2.98Å |
| 1462 | T | 85.1 | Confident | 84.2 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 142.2 | 158.3 | 71 | 0 | 0 | 0 | 0 | 111.3 | Q1428 V1429 D1430 R1432 V1458 D1460 | Q1428-T1462 PolarHBondContact NE2-OG1 2.94Å; V1429-T1462 CarbonylContact O-C 3.59Å; V1429-T1462 VanDerWaalsContact O-CA 3.32Å; V1429-T1462 WeakPolarHBondContact O-CA 3.29Å; D1430-T1462 HydrophobicContact CB-CG2 4.07Å; R1432-T1462 HydrophobicContact CG-CG2 4.32Å; V1458-T1462 VanDerWaalsContact CB-O 3.3Å; V1458-T1462 WeakPolarHBondContact CB-O 3.37Å; V1458-T1462 WeakPolarHBondContact CG2-O 3.47Å; V1458-T1462 PolarHBondContact N-O 2.79Å; D1460-T1462 WeakPolarHBondContact OD1-CB 3.45Å; D1460-T1462 PolarHBondContact OD1-N 2.87Å; D1460-T1462 PolarHBondContact OD1-OG1 3.1Å |
| 1463 | Y | 89.6 | Confident | 84.3 | Confident | 47 Ų | 47 | 47.7 Ų | 47.7 | 18% | 0.184 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 120.7 | 176.2 | -58.3 | -91.4 | 0 | 0 | 0 | 108.4 | Q1428 V1429 T1431 L1439 V1455 V1456 D1457 | Q1428-Y1463 CarbonylContact C-O 3.56Å; Q1428-Y1463 VanDerWaalsContact CA-O 3.26Å; Q1428-Y1463 WeakPolarHBondContact CA-O 3.23Å; V1429-Y1463 PolarHBondContact N-O 3.38Å; V1429-Y1463 PolarHBondContact O-N 2.9Å; T1431-Y1463 HydrophobicContact CG2-CD2 4.04Å; T1431-Y1463 HydrophobicContact CG2-CE2 3.82Å; L1439-Y1463 HydrophobicContact CD2-CD1 3.97Å; L1439-Y1463 HydrophobicContact CD2-CD2 3.29Å; L1439-Y1463 HydrophobicContact CD2-CE1 4.27Å; L1439-Y1463 HydrophobicContact CD2-CE2 3.66Å; L1439-Y1463 HydrophobicContact CD2-CG 3.48Å; L1439-Y1463 VanDerWaalsContact CD2-CG 3.48Å; V1455-Y1463 HydrophobicContact CG1-CD1 3.86Å; V1455-Y1463 HydrophobicContact CG1-CG 4.32Å; V1456-Y1463 CarbonylContact O-C 3.38Å; V1456-Y1463 WeakPolarHBondContact O-CA 3.36Å; D1457-Y1463 HydrophobicContact CB-CD1 3.83Å; D1457-Y1463 HydrophobicContact CB-CE1 3.72Å; D1457-Y1463 WeakPolarHBondContact OD2-CE1 3.3Å; D1457-Y1463 PolarHBondContact OD2-OH 3.39Å |
| 1464 | V | 89.7 | Confident | 84.3 | Confident | 37 Ų | 37 | 54.7 Ų | 54.7 | 22% | 0.224 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 104.1 | 171.8 | 168.8 | 0 | 0 | 0 | 0 | 107.6 | Q1428 V1456 V1458 H1466 | Q1428-V1464 HydrophobicContact CG-CG2 4Å; V1456-V1464 HydrophobicContact CB-CB 4.37Å; V1456-V1464 WeakPolarHBondContact CB-O 3.05Å; V1456-V1464 PolarHBondContact N-O 2.79Å; V1456-V1464 PolarHBondContact O-N 3.08Å; V1458-V1464 HydrophobicContact CG2-CB 4.15Å; V1458-V1464 HydrophobicContact CG2-CG2 3.6Å; V1464-H1466 WeakPolarHBondContact CG1-CE1 3.4Å |
| 1465 | C | 91.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 134 | -179.7 | -55 | 0 | 0 | 0 | 0 | 110 | S1426 F1427 L1441 L1453 E1454 | S1426-C1465 VanDerWaalsContact CA-O 3.26Å; S1426-C1465 WeakPolarHBondContact CA-O 3.49Å; F1427-C1465 HydrophobicContact CD1-CB 4.05Å; F1427-C1465 HydrophobicContact CD2-CB 3.81Å; F1427-C1465 HydrophobicContact CE1-CB 3.73Å; F1427-C1465 HydrophobicContact CE2-CB 3.49Å; F1427-C1465 VanDerWaalsContact CE2-CB 3.49Å; F1427-C1465 HydrophobicContact CG-CB 4.09Å; F1427-C1465 HydrophobicContact CZ-CB 3.44Å; F1427-C1465 VanDerWaalsContact CZ-CB 3.44Å; F1427-C1465 PolarHBondContact N-O 3.39Å; F1427-C1465 WeakPolarHBondContact O-CA 3.04Å; F1427-C1465 WeakPolarHBondContact O-CB 3.34Å; F1427-C1465 PolarHBondContact O-N 2.76Å; F1427-C1465 VanDerWaalsContact O-O 3.09Å; L1441-C1465 VanDerWaalsContact CD1-SG 3.59Å; L1453-C1465 HydrophobicContact CD1-CB 4.07Å; E1454-C1465 CarbonylContact O-C 3.56Å; E1454-C1465 WeakPolarHBondContact O-CA 3.1Å |
| 1466 | H | 89.9 | Confident | 84.7 | Confident | 68 Ų | 68 | 47.7 Ų | 47.7 | 32% | 0.315 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 130.7 | -179.5 | -74.5 | 4.7 | 0 | 0 | 0 | 109.7 | T1425 S1426 E1454 V1464 | T1425-H1466 WeakPolarHBondContact O-CA 3.32Å; S1426-H1466 VanDerWaalsContact CB-CE1 3.46Å; S1426-H1466 WeakPolarHBondContact CB-CE1 3.32Å; S1426-H1466 VanDerWaalsContact CB-ND1 3.33Å; S1426-H1466 WeakPolarHBondContact CB-ND1 3.36Å; E1454-H1466 HydrophobicContact CB-CB 4.26Å; E1454-H1466 PolarHBondContact N-O 3.09Å; E1454-H1466 PolarHBondContact O-N 2.88Å; V1464-H1466 WeakPolarHBondContact CG1-CE1 3.4Å |
| 1467 | Y | 91.3 | Very high | 85.1 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 147.8 | 168.2 | 75 | -85.3 | 0 | 0 | 0 | 110.8 | G1410 T1425 F1427 V1443 L1453 P1469 V1477 | G1410-Y1467 WeakPolarHBondContact O-CE1 3.25Å; G1410-Y1467 PolarHBondContact O-OH 3.38Å; G1410-Y1467 VanDerWaalsContact O-OH 3.09Å; T1425-Y1467 HydrophobicContact CG2-CD1 3.74Å; T1425-Y1467 HydrophobicContact CG2-CD2 4.21Å; T1425-Y1467 HydrophobicContact CG2-CE1 3.37Å; T1425-Y1467 HydrophobicContact CG2-CE2 3.87Å; T1425-Y1467 HydrophobicContact CG2-CG 4.14Å; T1425-Y1467 VanDerWaalsContact CG2-CZ 3.43Å; T1425-Y1467 WeakPolarHBondContact CG2-O 3.36Å; T1425-Y1467 PolarHBondContact N-O 2.88Å; T1425-Y1467 PolarHBondContact O-N 2.92Å; F1427-Y1467 HydrophobicContact CD1-CD1 4.37Å; F1427-Y1467 HydrophobicContact CD1-CE1 4.2Å; F1427-Y1467 HydrophobicContact CE1-CD1 4.04Å; F1427-Y1467 HydrophobicContact CE1-CE1 4.08Å; V1443-Y1467 HydrophobicContact CG1-CD2 4.02Å; V1443-Y1467 HydrophobicContact CG1-CE2 4.07Å; V1443-Y1467 HydrophobicContact CG1-CG 4.35Å; V1443-Y1467 HydrophobicContact CG2-CD1 4.17Å; V1443-Y1467 HydrophobicContact CG2-CG 4.3Å; L1453-Y1467 HydrophobicContact CD1-CD1 4.16Å; L1453-Y1467 HydrophobicContact CD1-CG 4.45Å; Y1467-P1469 HydrophobicContact CD2-CB 4.38Å; Y1467-P1469 HydrophobicContact CE2-CB 4.02Å; Y1467-P1469 HydrophobicContact CE2-CG 4.15Å; Y1467-V1477 HydrophobicContact CE1-CG2 4.38Å |
| 1468 | T | 87 | Confident | 85.6 | Confident | 41 Ų | 41 | 45.9 Ų | 45.9 | 25% | 0.252 | 25% | 0.252 | S | S | . | . | trans | -107 | 106.7 | 173.9 | -60.3 | 0 | 0 | 0 | 0 | 108 | P1424 M1470 | P1424-T1468 WeakPolarHBondContact CA-OG1 3.38Å; T1468-M1470 HydrophobicContact CG2-SD 3.71Å; T1468-M1470 PolarHBondContact O-N 2.8Å | ||
| 1469 | P | 85.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -68.5 | 100.7 | 175.2 | 27 | -33 | 0 | 0 | 0 | 110 | A1421 T1422 Q1423 Y1467 I1471 H1475 V1495 | A1421-P1469 CarbonylContact C-O 3.45Å; A1421-P1469 VanDerWaalsContact CA-O 3.25Å; A1421-P1469 WeakPolarHBondContact CA-O 3.44Å; T1422-P1469 PolarHBondContact N-O 2.84Å; Q1423-P1469 WeakPolarHBondContact O-CD 3.4Å; Y1467-P1469 HydrophobicContact CD2-CB 4.38Å; Y1467-P1469 HydrophobicContact CE2-CB 4.02Å; Y1467-P1469 HydrophobicContact CE2-CG 4.15Å; P1469-I1471 VanDerWaalsContact C-N 3.29Å; P1469-I1471 PolarHBondContact O-N 3.17Å; P1469-H1475 VanDerWaalsContact CB-NE2 3.35Å; P1469-H1475 WeakPolarHBondContact CB-NE2 3.25Å; P1469-V1495 HydrophobicContact CB-CB 4.37Å; P1469-V1495 HydrophobicContact CB-CG1 3.85Å; P1469-V1495 HydrophobicContact CB-CG2 3.66Å; P1469-V1495 HydrophobicContact CG-CG1 4.01Å; P1469-V1495 HydrophobicContact CG-CG2 3.99Å | ||
| 1470 | M | 81 | Confident | 87 | Confident | 72 Ų | 72 | 41.3 Ų | 41.3 | 36% | 0.355 | 21% | 0.205 | S | C | . | . | trans | -75.2 | -16 | -174.4 | -67 | -60.8 | -131.3 | 0 | 0 | 114 | T1422 T1468 T1535 G1578 | T1422-M1470 HydrophobicContact CG2-SD 4.22Å; T1468-M1470 HydrophobicContact CG2-SD 3.71Å; T1468-M1470 PolarHBondContact O-N 2.8Å; M1470-T1535 HydrophobicContact CE-CG2 3.68Å; M1470-T1535 HydrophobicContact SD-CG2 3.87Å; M1470-G1578 VanDerWaalsContact O-CA 3.25Å; M1470-G1578 WeakPolarHBondContact O-CA 3.33Å | ||
| 1471 | I | 81.3 | Confident | 87.6 | Confident | 44 Ų | 44 | 38 Ų | 38 | 23% | 0.226 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -127.3 | 153 | -171.9 | -51.3 | -176.6 | 0 | 0 | 0 | 109.3 | P1469 H1475 V1495 | P1469-I1471 VanDerWaalsContact C-N 3.29Å; P1469-I1471 PolarHBondContact O-N 3.17Å; I1471-H1475 PolarHBondContact O-CE1 2.98Å; I1471-H1475 VanDerWaalsContact O-CE1 3.23Å; I1471-V1495 WeakPolarHBondContact O-CG1 3.25Å |
| 1472 | V | 84.1 | Confident | 87.9 | Confident | 54 Ų | 54 | 38.2 Ų | 38.2 | 33% | 0.327 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -85.2 | 128.4 | -179.1 | -177.2 | 0 | 0 | 0 | 0 | 110.4 | A1421 P1497 | A1421-V1472 HydrophobicContact CB-CG2 4.23Å; V1472-P1497 HydrophobicContact CG1-CG 3.96Å; V1472-P1497 HydrophobicContact CG2-CB 3.93Å; V1472-P1497 HydrophobicContact CG2-CG 3.86Å |
| 1473 | G | 84.5 | Confident | 87.7 | Confident | 23 Ų | 23 | 40 Ų | 40 | 24% | 0.237 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 146.8 | -170.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | H1475 V1495 | G1473-H1475 PolarHBondContact O-ND1 2.89Å; G1473-H1475 VanDerWaalsContact O-ND1 3.15Å; G1473-V1495 PolarHBondContact N-O 3.28Å; G1473-V1495 VanDerWaalsContact N-O 3.1Å; G1473-V1495 WeakPolarHBondContact O-CB 3.27Å; G1473-V1495 PolarHBondContact O-N 3.49Å |
| 1474 | R | 87.5 | Confident | 87.3 | Confident | 178 Ų | 178 | 43.1 Ų | 43.1 | 67% | 0.672 | 22% | 0.224 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 124.1 | 176.1 | -84.9 | -173.7 | 170.4 | -168 | -4.8 | 111.2 | P1446 | P1446-R1474 WeakPolarHBondContact CA-O 3.38Å |
| 1475 | H | 89.9 | Confident | 87.2 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 155.9 | 173.6 | -67 | 50.7 | 0 | 0 | 0 | 109.9 | M1444 L1451 P1469 I1471 G1473 V1493 V1495 | M1444-H1475 CarbonylContact O-C 3.43Å; M1444-H1475 WeakPolarHBondContact O-CA 3.26Å; M1444-H1475 WeakPolarHBondContact O-CB 3.39Å; L1451-H1475 WeakPolarHBondContact CD1-CD2 3.47Å; L1451-H1475 WeakPolarHBondContact CD1-NE2 3.16Å; P1469-H1475 VanDerWaalsContact CB-NE2 3.35Å; P1469-H1475 WeakPolarHBondContact CB-NE2 3.25Å; I1471-H1475 PolarHBondContact O-CE1 2.98Å; I1471-H1475 VanDerWaalsContact O-CE1 3.23Å; G1473-H1475 PolarHBondContact O-ND1 2.89Å; G1473-H1475 VanDerWaalsContact O-ND1 3.15Å; H1475-V1493 PolarHBondContact N-O 2.9Å; H1475-V1493 PolarHBondContact O-N 3.02Å; H1475-V1495 VanDerWaalsContact ND1-CG2 3.33Å; H1475-V1495 WeakPolarHBondContact ND1-CG2 3.34Å |
| 1476 | T | 91 | Very high | 87.2 | Confident | 42 Ų | 42 | 45.7 Ų | 45.7 | 26% | 0.258 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 124.8 | 177.3 | -51.1 | 0 | 0 | 0 | 0 | 109.7 | V1443 M1444 P1490 L1492 | V1443-T1476 CarbonylContact C-O 3.54Å; V1443-T1476 WeakPolarHBondContact CA-O 3.45Å; M1444-T1476 PolarHBondContact N-O 3.22Å; M1444-T1476 PolarHBondContact O-N 3.09Å; T1476-P1490 HydrophobicContact CG2-CB 4Å; T1476-L1492 HydrophobicContact CG2-CD2 4.19Å |
| 1477 | V | 91.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 120 | 175.9 | -175.5 | 0 | 0 | 0 | 0 | 108.8 | V1411 F1427 S1442 V1443 Y1467 V1479 P1490 F1491 V1493 | V1411-V1477 HydrophobicContact CG1-CB 4.33Å; V1411-V1477 HydrophobicContact CG1-CG1 4.04Å; V1411-V1477 HydrophobicContact CG1-CG2 4.46Å; F1427-V1477 HydrophobicContact CE1-CG1 3.96Å; F1427-V1477 HydrophobicContact CE2-CG1 4.45Å; F1427-V1477 HydrophobicContact CZ-CG1 3.71Å; S1442-V1477 WeakPolarHBondContact O-CA 3.41Å; V1443-V1477 HydrophobicContact CG1-CG2 4.3Å; V1443-V1477 HydrophobicContact CG2-CG1 4.21Å; V1443-V1477 HydrophobicContact CG2-CG2 4.08Å; Y1467-V1477 HydrophobicContact CE1-CG2 4.38Å; V1477-V1479 HydrophobicContact CG1-CG2 4.39Å; V1477-P1490 CarbonylContact O-C 3.49Å; V1477-P1490 WeakPolarHBondContact O-CA 3.48Å; V1477-F1491 HydrophobicContact CB-CB 4.28Å; V1477-F1491 PolarHBondContact N-O 3.39Å; V1477-F1491 PolarHBondContact O-N 2.82Å; V1477-V1493 HydrophobicContact CG2-CG2 3.96Å |
| 1478 | R | 92.2 | Very high | 86.3 | Confident | 108 Ų | 108 | 54 Ų | 54 | 41% | 0.408 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 134 | 174.3 | -94.7 | -175.2 | 142.9 | 153 | -1.7 | 110.8 | L1441 S1442 E1485 P1490 | L1441-R1478 WeakPolarHBondContact CA-O 3.36Å; S1442-R1478 PolarHBondContact N-O 2.92Å; S1442-R1478 PolarHBondContact O-N 3.27Å; S1442-R1478 WeakPolarHBondContact OG-CB 3.48Å; R1478-E1485 IonicContact CZ-OE1 3.76Å; R1478-E1485 IonicContact NE-OE1 2.88Å; R1478-E1485 PolarHBondContact NE-OE1 2.78Å; R1478-E1485 IonicContact NH2-OE1 3.66Å; R1478-E1485 PolarHBondContact NH2-OE1 3.27Å; R1478-E1485 IonicContact NH2-OE2 3.54Å; R1478-P1490 HydrophobicContact CG-CB 3.71Å |
| 1479 | V | 92.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 132.9 | 174.4 | -169.1 | 0 | 0 | 0 | 0 | 108.9 | V1406 L1439 L1441 V1477 I1486 S1489 F1491 | V1406-V1479 HydrophobicContact CG2-CG1 4.24Å; V1406-V1479 HydrophobicContact CG2-CG2 4.38Å; L1439-V1479 HydrophobicContact CD1-CG1 4.05Å; L1441-V1479 HydrophobicContact CD2-CB 4.07Å; L1441-V1479 HydrophobicContact CD2-CG1 3.81Å; L1441-V1479 HydrophobicContact CD2-CG2 3.69Å; V1477-V1479 HydrophobicContact CG1-CG2 4.39Å; V1479-I1486 HydrophobicContact CB-CD1 3.73Å; V1479-I1486 HydrophobicContact CB-CG1 3.83Å; V1479-I1486 HydrophobicContact CG1-CD1 3.49Å; V1479-I1486 VanDerWaalsContact CG1-CD1 3.49Å; V1479-I1486 HydrophobicContact CG1-CG1 3.86Å; V1479-I1486 PolarHBondContact O-N 2.96Å; V1479-S1489 PolarHBondContact N-OG 3.41Å; V1479-S1489 VanDerWaalsContact O-CB 3.3Å; V1479-S1489 WeakPolarHBondContact O-CB 3.24Å; V1479-S1489 PolarHBondContact O-OG 2.99Å; V1479-F1491 HydrophobicContact CB-CE2 4.47Å; V1479-F1491 HydrophobicContact CG2-CD2 4.23Å; V1479-F1491 HydrophobicContact CG2-CE2 3.81Å |
| 1480 | K | 88.9 | Confident | 86.4 | Confident | 55 Ų | 55 | 55.7 Ų | 55.7 | 24% | 0.239 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 156.6 | 175.3 | -78.8 | 169.4 | 157.5 | -165.1 | 0 | 109.8 | L1439 E1440 G1483 Q1484 E1485 | L1439-K1480 WeakPolarHBondContact CD1-O 3.46Å; E1440-K1480 HydrophobicContact CB-CB 3.68Å; E1440-K1480 HydrophobicContact CB-CD 3.83Å; E1440-K1480 HydrophobicContact CB-CG 4.42Å; E1440-K1480 HydrophobicContact CG-CD 4.47Å; E1440-K1480 PolarHBondContact N-O 2.92Å; E1440-K1480 VanDerWaalsContact N-O 3.14Å; E1440-K1480 PolarHBondContact O-N 3.14Å; E1440-K1480 IonicContact OE1-NZ 3.51Å; E1440-K1480 WeakPolarHBondContact OE2-CD 3.44Å; E1440-K1480 WeakPolarHBondContact OE2-CE 3.46Å; E1440-K1480 IonicContact OE2-NZ 3.6Å; E1440-K1480 PolarHBondContact OE2-NZ 2.88Å; K1480-G1483 WeakPolarHBondContact CE-O 3.41Å; K1480-Q1484 CarbonylContact C-O 3.52Å; K1480-Q1484 WeakPolarHBondContact CA-O 3.49Å; K1480-Q1484 VanDerWaalsContact CB-O 3.29Å; K1480-Q1484 WeakPolarHBondContact CB-O 3.21Å; K1480-E1485 HydrophobicContact CG-CB 4.35Å; K1480-E1485 HydrophobicContact CG-CG 3.66Å |
| 1481 | Y | 88.8 | Confident | 86.8 | Confident | 6 Ų | 6 | 53 Ų | 53 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 122.8 | 175.7 | -157.2 | -117.2 | 0 | 0 | 0 | 110.8 | F1399 V1404 T1431 A1434 G1435 G1437 D1438 L1439 G1483 Q1484 | F1399-Y1481 HydrophobicContact CB-CD1 4.33Å; F1399-Y1481 HydrophobicContact CB-CE1 4.1Å; V1404-Y1481 HydrophobicContact CG2-CD1 3.47Å; V1404-Y1481 VanDerWaalsContact CG2-CD1 3.47Å; V1404-Y1481 HydrophobicContact CG2-CD2 4.11Å; V1404-Y1481 HydrophobicContact CG2-CE1 3.98Å; V1404-Y1481 HydrophobicContact CG2-CG 3.54Å; T1431-Y1481 HydrophobicContact CG2-CD2 4.1Å; T1431-Y1481 HydrophobicContact CG2-CE2 3.58Å; A1434-Y1481 HydrophobicContact CB-CD1 4.14Å; A1434-Y1481 HydrophobicContact CB-CE1 3.59Å; G1435-Y1481 WeakPolarHBondContact O-CE1 3.22Å; G1435-Y1481 PolarHBondContact O-OH 2.84Å; G1435-Y1481 VanDerWaalsContact O-OH 3.07Å; G1437-Y1481 PolarHBondContact N-OH 2.76Å; G1437-Y1481 WeakPolarHBondContact O-CD2 3.11Å; G1437-Y1481 WeakPolarHBondContact O-CE2 3.38Å; G1437-Y1481 VanDerWaalsContact O-CZ 3.32Å; D1438-Y1481 CarbonylContact O-C 3.59Å; D1438-Y1481 WeakPolarHBondContact O-CA 3.31Å; L1439-Y1481 HydrophobicContact CB-CD2 4.07Å; L1439-Y1481 HydrophobicContact CB-CE2 4.17Å; L1439-Y1481 HydrophobicContact CD1-CD2 4.24Å; Y1481-G1483 PolarHBondContact O-N 2.79Å; Y1481-Q1484 PolarHBondContact N-O 2.83Å; Y1481-Q1484 PolarHBondContact O-N 3.19Å |
| 1482 | G | 83.2 | Confident | 87.2 | Confident | 21 Ų | 21 | 54.9 Ų | 54.9 | 22% | 0.216 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 39.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1399 D1438 Q1484 | F1399-G1482 WeakPolarHBondContact CZ-O 3.48Å; D1438-G1482 PolarHBondContact O-N 2.8Å; G1482-Q1484 PolarHBondContact O-N 2.76Å |
| 1483 | G | 80.4 | Confident | 87.4 | Confident | 39 Ų | 39 | 52.3 Ų | 52.3 | 40% | 0.402 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | -15.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | K1480 Y1481 | K1480-G1483 WeakPolarHBondContact CE-O 3.41Å; Y1481-G1483 PolarHBondContact O-N 2.79Å |
| 1484 | Q | 82.3 | Confident | 87.6 | Confident | 113 Ų | 113 | 53.2 Ų | 53.2 | 53% | 0.528 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 139.5 | 176.9 | -63.3 | -170.5 | 2.6 | 0 | 0 | 111.4 | P1401 K1480 Y1481 G1482 I1486 | P1401-Q1484 HydrophobicContact CB-CB 4.49Å; P1401-Q1484 HydrophobicContact CG-CB 4.33Å; K1480-Q1484 CarbonylContact C-O 3.52Å; K1480-Q1484 WeakPolarHBondContact CA-O 3.49Å; K1480-Q1484 VanDerWaalsContact CB-O 3.29Å; K1480-Q1484 WeakPolarHBondContact CB-O 3.21Å; Y1481-Q1484 PolarHBondContact N-O 2.83Å; Y1481-Q1484 PolarHBondContact O-N 3.19Å; G1482-Q1484 PolarHBondContact O-N 2.76Å; Q1484-I1486 PolarHBondContact O-N 3.05Å |
| 1485 | E | 86 | Confident | 87.5 | Confident | 83 Ų | 83 | 45.2 Ų | 45.2 | 39% | 0.388 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 131 | 170.4 | -79.8 | 179.3 | 142.9 | 0 | 0 | 109.5 | R1478 K1480 | R1478-E1485 IonicContact CZ-OE1 3.76Å; R1478-E1485 IonicContact NE-OE1 2.88Å; R1478-E1485 PolarHBondContact NE-OE1 2.78Å; R1478-E1485 IonicContact NH2-OE1 3.66Å; R1478-E1485 PolarHBondContact NH2-OE1 3.27Å; R1478-E1485 IonicContact NH2-OE2 3.54Å; K1480-E1485 HydrophobicContact CG-CB 4.35Å; K1480-E1485 HydrophobicContact CG-CG 3.66Å |
| 1486 | I | 91.3 | Very high | 87.2 | Confident | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 165.5 | 176 | 64.3 | 156.4 | 0 | 0 | 0 | 110.4 | V1404 V1406 V1479 Q1484 S1489 | V1404-I1486 HydrophobicContact CB-CG2 3.96Å; V1404-I1486 HydrophobicContact CG1-CD1 4.22Å; V1404-I1486 HydrophobicContact CG1-CG2 4.15Å; V1404-I1486 HydrophobicContact CG2-CG2 4.39Å; V1406-I1486 HydrophobicContact CG2-CD1 3.34Å; V1479-I1486 HydrophobicContact CB-CD1 3.73Å; V1479-I1486 HydrophobicContact CB-CG1 3.83Å; V1479-I1486 HydrophobicContact CG1-CD1 3.49Å; V1479-I1486 VanDerWaalsContact CG1-CD1 3.49Å; V1479-I1486 HydrophobicContact CG1-CG1 3.86Å; V1479-I1486 PolarHBondContact O-N 2.96Å; Q1484-I1486 PolarHBondContact O-N 3.05Å; I1486-S1489 WeakPolarHBondContact O-CB 3.42Å; I1486-S1489 PolarHBondContact O-N 3Å |
| 1487 | P | 78.1 | Confident | 86.7 | Confident | 78 Ų | 78 | 48 Ų | 48 | 51% | 0.506 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 144.4 | 170 | -27.5 | 36.6 | 0 | 0 | 0 | 113 | S1489 | P1487-S1489 PolarHBondContact O-N 3.41Å; P1487-S1489 VanDerWaalsContact O-N 3.09Å |
| 1488 | E | 84.1 | Confident | 85.8 | Confident | 168 Ų | 168 | 48.5 Ų | 48.5 | 79% | 0.785 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | -8.9 | -179.1 | -52.7 | -169.3 | 174.9 | 0 | 0 | 117.5 | F1491 | E1488-F1491 HydrophobicContact CB-CD1 4.49Å; E1488-F1491 HydrophobicContact CB-CE1 3.59Å; E1488-F1491 HydrophobicContact CB-CZ 3.94Å |
| 1489 | S | 89.5 | Confident | 85.2 | Confident | 20 Ų | 20 | 45.5 Ų | 45.5 | 14% | 0.14 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 140.9 | 170.6 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | V1479 I1486 P1487 | V1479-S1489 PolarHBondContact N-OG 3.41Å; V1479-S1489 VanDerWaalsContact O-CB 3.3Å; V1479-S1489 WeakPolarHBondContact O-CB 3.24Å; V1479-S1489 PolarHBondContact O-OG 2.99Å; I1486-S1489 WeakPolarHBondContact O-CB 3.42Å; I1486-S1489 PolarHBondContact O-N 3Å; P1487-S1489 PolarHBondContact O-N 3.41Å; P1487-S1489 VanDerWaalsContact O-N 3.09Å |
| 1490 | P | 86.3 | Confident | 84.6 | Confident | 58 Ų | 58 | 53.5 Ų | 53.5 | 38% | 0.377 | 30% | 0.303 | S | S | . | . | S | Bend | cis | -83 | 141.4 | -5 | 33 | -35.4 | 0 | 0 | 0 | 114.1 | T1476 V1477 R1478 | T1476-P1490 HydrophobicContact CG2-CB 4Å; V1477-P1490 CarbonylContact O-C 3.49Å; V1477-P1490 WeakPolarHBondContact O-CA 3.48Å; R1478-P1490 HydrophobicContact CG-CB 3.71Å |
| 1491 | F | 90 | Very high | 84.2 | Confident | 16 Ų | 16 | 51.4 Ų | 51.4 | 7% | 0.07 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 140.3 | 174.4 | -49.8 | -90.3 | 0 | 0 | 0 | 110.8 | V1406 V1411 V1477 V1479 E1488 | V1406-F1491 HydrophobicContact CB-CZ 4.21Å; V1406-F1491 HydrophobicContact CG2-CZ 4.47Å; V1411-F1491 HydrophobicContact CB-CB 4.12Å; V1411-F1491 HydrophobicContact CB-CD1 4.09Å; V1411-F1491 HydrophobicContact CB-CD2 4.34Å; V1411-F1491 HydrophobicContact CB-CG 3.93Å; V1411-F1491 HydrophobicContact CG1-CB 4.32Å; V1411-F1491 HydrophobicContact CG1-CD2 4.06Å; V1411-F1491 HydrophobicContact CG1-CG 4.11Å; V1477-F1491 HydrophobicContact CB-CB 4.28Å; V1477-F1491 PolarHBondContact N-O 3.39Å; V1477-F1491 PolarHBondContact O-N 2.82Å; V1479-F1491 HydrophobicContact CB-CE2 4.47Å; V1479-F1491 HydrophobicContact CG2-CD2 4.23Å; V1479-F1491 HydrophobicContact CG2-CE2 3.81Å; E1488-F1491 HydrophobicContact CB-CD1 4.49Å; E1488-F1491 HydrophobicContact CB-CE1 3.59Å; E1488-F1491 HydrophobicContact CB-CZ 3.94Å |
| 1492 | L | 88.6 | Confident | 83.8 | Confident | 82 Ų | 82 | 56.4 Ų | 56.4 | 43% | 0.429 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 115.7 | 179.9 | -76.1 | 168.9 | 0 | 0 | 0 | 110.7 | T1476 | T1476-L1492 HydrophobicContact CG2-CD2 4.19Å |
| 1493 | V | 89.1 | Confident | 83.8 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 118.7 | -164.9 | -168.9 | 0 | 0 | 0 | 0 | 111.1 | L1419 H1475 V1477 | L1419-V1493 HydrophobicContact CD1-CG1 3.55Å; L1419-V1493 HydrophobicContact CG-CG1 4.23Å; H1475-V1493 PolarHBondContact N-O 2.9Å; H1475-V1493 PolarHBondContact O-N 3.02Å; V1477-V1493 HydrophobicContact CG2-CG2 3.96Å |
| 1494 | P | 88 | Confident | 83.9 | Confident | 42 Ų | 42 | 57.2 Ų | 57.2 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 133.5 | 179.3 | 30.6 | -31.1 | 0 | 0 | 0 | 112.6 | G1418 L1419 | G1418-P1494 CarbonylContact C-O 3.51Å; G1418-P1494 WeakPolarHBondContact CA-O 3.48Å; L1419-P1494 PolarHBondContact N-O 3.18Å |
| 1495 | V | 86.6 | Confident | 83.9 | Confident | 10 Ų | 10 | 60.6 Ų | 60.6 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 138.5 | 178.6 | -177.6 | 0 | 0 | 0 | 0 | 111 | L1419 A1421 P1469 I1471 G1473 H1475 | L1419-V1495 HydrophobicContact CB-CG2 4.42Å; L1419-V1495 CarbonylContact O-C 3.56Å; L1419-V1495 VanDerWaalsContact O-CA 3.26Å; L1419-V1495 WeakPolarHBondContact O-CA 3.28Å; L1419-V1495 WeakPolarHBondContact O-CG1 3.11Å; A1421-V1495 HydrophobicContact CB-CG1 3.83Å; P1469-V1495 HydrophobicContact CB-CB 4.37Å; P1469-V1495 HydrophobicContact CB-CG1 3.85Å; P1469-V1495 HydrophobicContact CB-CG2 3.66Å; P1469-V1495 HydrophobicContact CG-CG1 4.01Å; P1469-V1495 HydrophobicContact CG-CG2 3.99Å; I1471-V1495 WeakPolarHBondContact O-CG1 3.25Å; G1473-V1495 PolarHBondContact N-O 3.28Å; G1473-V1495 VanDerWaalsContact N-O 3.1Å; G1473-V1495 WeakPolarHBondContact O-CB 3.27Å; G1473-V1495 PolarHBondContact O-N 3.49Å; H1475-V1495 VanDerWaalsContact ND1-CG2 3.33Å; H1475-V1495 WeakPolarHBondContact ND1-CG2 3.34Å |
| 1496 | A | 83.6 | Confident | 84 | Confident | 31 Ų | 31 | 58 Ų | 58 | 26% | 0.256 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 157.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1417 L1419 A1421 | L1417-A1496 WeakPolarHBondContact O-CB 3.42Å; L1419-A1496 PolarHBondContact O-N 2.89Å; A1421-A1496 WeakPolarHBondContact CB-O 3.29Å; A1421-A1496 PolarHBondContact N-O 2.85Å |
| 1497 | P | 79 | Confident | 83.6 | Confident | 69 Ų | 69 | 61.3 Ų | 61.3 | 45% | 0.448 | 32% | 0.323 | S | S | . | . | trans | -66.3 | 155 | -179.6 | -9.1 | 22 | 0 | 0 | 0 | 112.9 | V1472 | V1472-P1497 HydrophobicContact CG1-CG 3.96Å; V1472-P1497 HydrophobicContact CG2-CB 3.93Å; V1472-P1497 HydrophobicContact CG2-CG 3.86Å | ||
| 1498 | S | 73.3 | Confident | 83.5 | Confident | 10 Ų | 10 | 61.7 Ų | 61.7 | 7% | 0.07 | 32% | 0.321 | C | S | . | . | trans | -121.1 | 134.7 | 174.3 | 60.3 | 0 | 0 | 0 | 0 | 112.4 | A1421 T1422 V1531 G1532 G1577 | A1421-S1498 WeakPolarHBondContact O-CB 3.38Å; A1421-S1498 PolarHBondContact O-OG 2.68Å; T1422-S1498 PolarHBondContact OG1-OG 2.95Å; S1498-V1531 CarbonylContact C-O 3.47Å; S1498-V1531 VanDerWaalsContact C-O 3.31Å; S1498-V1531 WeakPolarHBondContact CB-O 3.25Å; S1498-G1532 WeakPolarHBondContact OG-CA 3.42Å; S1498-G1577 PolarHBondContact N-O 3Å; S1498-G1577 WeakPolarHBondContact O-CA 3.17Å; S1498-G1577 VanDerWaalsContact OG-CA 3.27Å; S1498-G1577 WeakPolarHBondContact OG-CA 3.45Å | ||
| 1499 | G | 79.2 | Confident | 83 | Confident | 45 Ų | 45 | 54.2 Ų | 54.2 | 46% | 0.464 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 69.6 | -149.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | A1529 V1531 | G1499-A1529 CarbonylContact C-O 3.59Å; G1499-A1529 WeakPolarHBondContact CA-O 3.48Å; G1499-V1531 WeakPolarHBondContact CA-O 3.44Å; G1499-V1531 PolarHBondContact N-O 3.02Å |
| 1500 | R | 80.3 | Confident | 82.5 | Confident | 169 Ų | 169 | 57.8 Ų | 57.8 | 64% | 0.638 | 31% | 0.306 | S | S | * | . | trans | -138 | 83.5 | -173.2 | -69.5 | -174.7 | 177.7 | 178.2 | -0.1 | 111.2 | N1502 M1503 A1529 | R1500-N1502 PolarHBondContact O-N 2.93Å; R1500-N1502 VanDerWaalsContact O-N 3.09Å; R1500-M1503 HydrophobicContact CB-CB 4.49Å; R1500-M1503 HydrophobicContact CB-CG 3.9Å; R1500-M1503 WeakPolarHBondContact O-CB 3.5Å; R1500-M1503 PolarHBondContact O-N 2.86Å; R1500-A1529 PolarHBondContact N-O 2.82Å; R1500-A1529 WeakPolarHBondContact O-CB 3.44Å | ||
| 1501 | S | 79.6 | Confident | 81.8 | Confident | 11 Ų | 11 | 59.6 Ų | 59.6 | 8% | 0.077 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -43 | -39.6 | 175.6 | 58.7 | 0 | 0 | 0 | 0 | 114.6 | M1503 C1504 E1579 P1582 | S1501-M1503 PolarHBondContact O-N 3Å; S1501-C1504 PolarHBondContact O-N 3.27Å; S1501-E1579 PolarHBondContact OG-OE2 2.62Å; S1501-P1582 VanDerWaalsContact O-CD 3.3Å; S1501-P1582 WeakPolarHBondContact O-CD 3.47Å |
| 1502 | N | 80.6 | Confident | 81.2 | Confident | 111 Ų | 111 | 63.3 Ų | 63.3 | 59% | 0.594 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -69.9 | -7.9 | -178.9 | 70.2 | -24.2 | 0 | 0 | 0 | 115.5 | R1500 | R1500-N1502 PolarHBondContact O-N 2.93Å; R1500-N1502 VanDerWaalsContact O-N 3.09Å |
| 1503 | M | 84.2 | Confident | 80.6 | Confident | 73 Ų | 73 | 68.1 Ų | 68.1 | 36% | 0.36 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -97.3 | -8.4 | 176.2 | -59.7 | -64.1 | -63.8 | 0 | 0 | 113.2 | R1500 S1501 Q1528 A1529 | R1500-M1503 HydrophobicContact CB-CB 4.49Å; R1500-M1503 HydrophobicContact CB-CG 3.9Å; R1500-M1503 WeakPolarHBondContact O-CB 3.5Å; R1500-M1503 PolarHBondContact O-N 2.86Å; S1501-M1503 PolarHBondContact O-N 3Å; M1503-Q1528 HydrophobicContact CB-CB 4.25Å; M1503-Q1528 HydrophobicContact CE-CB 3.72Å; M1503-Q1528 VanDerWaalsContact CE-OE1 3.23Å; M1503-A1529 HydrophobicContact CB-CB 4.16Å |
| 1504 | C | 82.5 | Confident | 80.3 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 2% | 0.02 | 36% | 0.356 | C | S | . | . | trans | -76.6 | 147.1 | 176.4 | -65 | 0 | 0 | 0 | 0 | 111.9 | S1501 N1525 A1529 F1576 I1581 | S1501-C1504 PolarHBondContact O-N 3.27Å; C1504-N1525 WeakPolarHBondContact CA-O 3.29Å; C1504-A1529 WeakPolarHBondContact SG-CB 3.48Å; C1504-F1576 VanDerWaalsContact SG-CD2 3.5Å; C1504-F1576 WeakPolarHBondContact SG-CG 3.36Å; C1504-I1581 HydrophobicContact CB-CB 3.98Å; C1504-I1581 HydrophobicContact CB-CD1 4.33Å; C1504-I1581 HydrophobicContact CB-CG2 3.68Å | ||
| 1505 | R | 82.6 | Confident | 79.7 | Confident | 185 Ų | 185 | 68.5 Ų | 68.5 | 70% | 0.698 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 124.9 | -178.1 | -178.4 | 177.5 | 178.7 | -179.8 | 1 | 112.8 | V1524 N1525 | R1505-V1524 CarbonylContact O-C 3.59Å; R1505-V1524 WeakPolarHBondContact O-CA 3.35Å; R1505-V1524 WeakPolarHBondContact O-CG1 3.31Å; R1505-N1525 PolarHBondContact N-O 3.22Å; R1505-N1525 PolarHBondContact O-N 3.26Å |
| 1506 | I | 86.7 | Confident | 79.4 | Confident | 27 Ų | 27 | 68.9 Ų | 68.9 | 14% | 0.138 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 133.5 | 169.7 | -51.9 | 170 | 0 | 0 | 0 | 109.3 | I1522 V1524 I1574 I1581 N1583 F1586 | I1506-I1522 HydrophobicContact CG2-CG2 3.95Å; I1506-V1524 HydrophobicContact CG1-CG2 4.14Å; I1506-I1574 HydrophobicContact CD1-CD1 4.05Å; I1506-I1574 HydrophobicContact CG1-CD1 4.29Å; I1506-I1581 HydrophobicContact CG1-CD1 4.05Å; I1506-N1583 WeakPolarHBondContact CD1-O 3.46Å; I1506-F1586 HydrophobicContact CD1-CD1 4.1Å; I1506-F1586 HydrophobicContact CD1-CE1 3.63Å |
| 1507 | E | 82.6 | Confident | 78.8 | Confident | 78 Ų | 78 | 69.9 Ų | 69.9 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | -51.5 | 179.6 | -66.1 | -169.4 | 165 | 0 | 0 | 112.9 | S1523 N1525 R1557 | E1507-S1523 PolarHBondContact N-O 3.3Å; E1507-N1525 HydrophobicContact CG-CB 4.07Å; E1507-N1525 WeakPolarHBondContact OE1-CB 3.42Å; E1507-N1525 PolarHBondContact OE1-ND2 2.88Å; E1507-R1557 IonicContact OE2-CZ 2.72Å; E1507-R1557 IonicContact OE2-NE 2.75Å; E1507-R1557 PolarHBondContact OE2-NE 3.16Å; E1507-R1557 IonicContact OE2-NH2 3.48Å; E1507-R1557 PolarHBondContact OE2-NH2 2.68Å |
| 1508 | N | 77.6 | Confident | 78.5 | Confident | 87 Ų | 87 | 69.7 Ų | 69.7 | 47% | 0.465 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 163.6 | -175.3 | -68.3 | 6.4 | 0 | 0 | 0 | 111.3 | I1522 S1523 | N1508-I1522 CarbonylContact O-C 3.54Å; N1508-I1522 WeakPolarHBondContact O-CA 3.37Å; N1508-S1523 PolarHBondContact N-O 3.21Å; N1508-S1523 PolarHBondContact O-N 2.82Å |
| 1509 | G | 72 | Confident | 79 | Confident | 11 Ų | 11 | 75 Ų | 75 | 11% | 0.113 | 39% | 0.387 | C | S | . | . | trans | 90.7 | 6.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | D1511 V1521 I1522 Q1588 | G1509-D1511 WeakPolarHBondContact CA-OD2 3.2Å; G1509-D1511 PolarHBondContact O-N 2.81Å; G1509-V1521 WeakPolarHBondContact CA-O 3.3Å; G1509-I1522 WeakPolarHBondContact O-CG1 3.49Å; G1509-Q1588 PolarHBondContact O-NE2 2.88Å | ||
| 1510 | N | 79 | Confident | 79.3 | Confident | 94 Ų | 94 | 73.4 Ų | 73.4 | 50% | 0.503 | 37% | 0.369 | S | S | . | . | trans | -77.8 | 32.9 | 168.2 | 64 | -22.9 | 0 | 0 | 0 | 112.6 | F1586 | N1510-F1586 HydrophobicContact CB-CD2 3.92Å; N1510-F1586 HydrophobicContact CB-CE2 3.6Å; N1510-F1586 HydrophobicContact CB-CZ 4.05Å | ||
| 1511 | D | 73.3 | Confident | 79.7 | Confident | 97 Ų | 97 | 68 Ų | 68 | 52% | 0.519 | 35% | 0.354 | S | S | . | . | trans | -65.6 | 132.3 | -172.9 | -74.4 | -76 | 0 | 0 | 0 | 112.8 | G1509 R1513 Q1588 | G1509-D1511 WeakPolarHBondContact CA-OD2 3.2Å; G1509-D1511 PolarHBondContact O-N 2.81Å; D1511-R1513 PolarHBondContact O-N 3.24Å; D1511-Q1588 VanDerWaalsContact N-NE2 3.13Å; D1511-Q1588 WeakPolarHBondContact O-CG 3.49Å; D1511-Q1588 PolarHBondContact O-NE2 2.64Å | ||
| 1512 | S | 77.1 | Confident | 80.1 | Confident | 93 Ų | 93 | 67.5 Ų | 67.5 | 65% | 0.65 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -69.5 | -16.2 | -175 | 63.9 | 0 | 0 | 0 | 0 | 114.5 | K1589 | S1512-K1589 WeakPolarHBondContact O-CB 3.34Å; S1512-K1589 PolarHBondContact O-N 3.12Å |
| 1513 | R | 76.3 | Confident | 80.4 | Confident | 184 Ų | 184 | 62.5 Ų | 62.5 | 69% | 0.694 | 33% | 0.325 | S | S | * | . | trans | -132.8 | 135.5 | 174.5 | -74.6 | -170.5 | 176.6 | -155.7 | 0.1 | 110.5 | D1511 K1589 | D1511-R1513 PolarHBondContact O-N 3.24Å; R1513-K1589 VanDerWaalsContact CA-O 3.3Å; R1513-K1589 WeakPolarHBondContact CA-O 3.16Å | ||
| 1514 | I | 82.6 | Confident | 80.6 | Confident | 12 Ų | 12 | 59 Ų | 59 | 6% | 0.062 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 154.7 | -174.6 | 49.3 | -178.9 | 0 | 0 | 0 | 109.7 | C1520 Y1562 P1564 Q1588 K1589 A1590 V1591 | I1514-C1520 VanDerWaalsContact CB-SG 3.53Å; I1514-C1520 HydrophobicContact CG2-CB 4.15Å; I1514-Y1562 HydrophobicContact CD1-CE2 3.86Å; I1514-Y1562 WeakPolarHBondContact CD1-OH 3.4Å; I1514-P1564 HydrophobicContact CD1-CB 4.17Å; I1514-P1564 HydrophobicContact CD1-CG 3.75Å; I1514-P1564 HydrophobicContact CG1-CG 4.05Å; I1514-Q1588 HydrophobicContact CD1-CB 3.89Å; I1514-K1589 VanDerWaalsContact CG1-O 3.31Å; I1514-K1589 WeakPolarHBondContact CG1-O 3.37Å; I1514-K1589 PolarHBondContact N-O 2.79Å; I1514-A1590 HydrophobicContact CG1-CB 4.17Å; I1514-A1590 CarbonylContact O-C 3.53Å; I1514-A1590 WeakPolarHBondContact O-CA 3.28Å; I1514-V1591 WeakPolarHBondContact O-CG2 3.31Å; I1514-V1591 PolarHBondContact O-N 2.95Å |
| 1515 | P | 73.9 | Confident | 80.7 | Confident | 38 Ų | 38 | 60.8 Ų | 60.8 | 25% | 0.247 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 122.4 | 178.7 | 9.8 | 7.8 | 0 | 0 | 0 | 111.3 | G1517 Q1518 V1591 | P1515-G1517 PolarHBondContact O-N 3.13Å; P1515-Q1518 HydrophobicContact CB-CB 3.79Å; P1515-Q1518 HydrophobicContact CB-CG 4.03Å; P1515-Q1518 VanDerWaalsContact CB-OE1 3.28Å; P1515-Q1518 HydrophobicContact CG-CB 3.85Å; P1515-Q1518 HydrophobicContact CG-CG 4.43Å; P1515-Q1518 PolarHBondContact O-N 2.85Å; P1515-Q1518 VanDerWaalsContact O-O 3.09Å; P1515-V1591 CarbonylContact C-O 3.58Å; P1515-V1591 VanDerWaalsContact CA-O 3.29Å; P1515-V1591 WeakPolarHBondContact CA-O 3.29Å |
| 1516 | V | 80.7 | Confident | 80.9 | Confident | 19 Ų | 19 | 52.8 Ų | 52.8 | 12% | 0.115 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 127.7 | 170.4 | 88.3 | 0 | 0 | 0 | 0 | 109.8 | Q1518 P1564 I1566 R1567 A1590 V1591 P1593 | V1516-Q1518 PolarHBondContact O-N 3.11Å; V1516-P1564 WeakPolarHBondContact CA-O 3.28Å; V1516-P1564 WeakPolarHBondContact CG2-O 3.38Å; V1516-I1566 VanDerWaalsContact CG2-C 3.43Å; V1516-R1567 HydrophobicContact CB-CG 4.17Å; V1516-R1567 HydrophobicContact CG1-CG 4Å; V1516-R1567 HydrophobicContact CG2-CG 4.11Å; V1516-A1590 HydrophobicContact CB-CB 3.75Å; V1516-A1590 HydrophobicContact CG2-CB 3.86Å; V1516-V1591 WeakPolarHBondContact CA-O 3.44Å; V1516-V1591 WeakPolarHBondContact CB-O 3.45Å; V1516-V1591 VanDerWaalsContact CG1-O 3.3Å; V1516-V1591 WeakPolarHBondContact CG1-O 3.29Å; V1516-V1591 PolarHBondContact N-O 2.97Å; V1516-P1593 WeakPolarHBondContact O-CD 3.19Å; V1516-P1593 WeakPolarHBondContact O-CG 3.36Å |
| 1517 | G | 72.2 | Confident | 80.7 | Confident | 52 Ų | 52 | 57.7 Ų | 57.7 | 54% | 0.536 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 14 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | P1515 P1564 | P1515-G1517 PolarHBondContact O-N 3.13Å; G1517-P1564 PolarHBondContact N-O 2.81Å |
| 1518 | Q | 71.9 | Confident | 80.6 | Confident | 65 Ų | 65 | 60.6 Ų | 60.6 | 30% | 0.304 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -124.9 | 153.3 | 164.4 | -63.5 | -174.9 | -23.1 | 0 | 0 | 111.1 | P1515 V1516 C1520 P1564 P1593 | P1515-Q1518 HydrophobicContact CB-CB 3.79Å; P1515-Q1518 HydrophobicContact CB-CG 4.03Å; P1515-Q1518 VanDerWaalsContact CB-OE1 3.28Å; P1515-Q1518 HydrophobicContact CG-CB 3.85Å; P1515-Q1518 HydrophobicContact CG-CG 4.43Å; P1515-Q1518 PolarHBondContact O-N 2.85Å; P1515-Q1518 VanDerWaalsContact O-O 3.09Å; V1516-Q1518 PolarHBondContact O-N 3.11Å; Q1518-C1520 PolarHBondContact O-SG 3.3Å; Q1518-C1520 VanDerWaalsContact O-SG 3.35Å; Q1518-P1564 WeakPolarHBondContact O-CD 3.29Å; Q1518-P1593 HydrophobicContact CG-CG 4.39Å |
| 1519 | E | 83.7 | Confident | 80.5 | Confident | 122 Ų | 122 | 56.5 Ų | 56.5 | 57% | 0.57 | 30% | 0.302 | S | S | * | . | trans | -73.4 | 139.2 | -176.5 | -168.3 | -176.2 | -81.7 | 0 | 0 | 112.5 | Y1561 T1563 | E1519-Y1561 HydrophobicContact CG-CD1 4.02Å; E1519-Y1561 WeakPolarHBondContact OE2-CD1 3.16Å; E1519-T1563 WeakPolarHBondContact CA-OG1 3.12Å | ||
| 1520 | C | 85.9 | Confident | 80.6 | Confident | 11 Ų | 11 | 58.7 Ų | 58.7 | 7% | 0.074 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 137.3 | -174.6 | -56.5 | 0 | 0 | 0 | 0 | 109.1 | I1514 Q1518 Y1561 Y1562 | I1514-C1520 VanDerWaalsContact CB-SG 3.53Å; I1514-C1520 HydrophobicContact CG2-CB 4.15Å; Q1518-C1520 PolarHBondContact O-SG 3.3Å; Q1518-C1520 VanDerWaalsContact O-SG 3.35Å; C1520-Y1561 CarbonylContact O-C 3.59Å; C1520-Y1561 VanDerWaalsContact O-CA 3.3Å; C1520-Y1561 WeakPolarHBondContact O-CA 3.1Å; C1520-Y1562 HydrophobicContact CB-CD1 4.19Å; C1520-Y1562 HydrophobicContact CB-CE1 3.96Å; C1520-Y1562 WeakPolarHBondContact CB-O 3.23Å; C1520-Y1562 PolarHBondContact N-O 3.14Å; C1520-Y1562 PolarHBondContact O-N 3.01Å |
| 1521 | V | 88.5 | Confident | 80.3 | Confident | 56 Ų | 56 | 59.3 Ų | 59.3 | 34% | 0.339 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 133.9 | -175.1 | 68 | 0 | 0 | 0 | 0 | 112.9 | G1509 N1559 I1560 Y1561 | G1509-V1521 WeakPolarHBondContact CA-O 3.3Å; V1521-N1559 HydrophobicContact CG2-CB 3.69Å; V1521-I1560 CarbonylContact C-O 3.39Å; V1521-I1560 VanDerWaalsContact CA-O 3.28Å; V1521-I1560 WeakPolarHBondContact CA-O 3.28Å; V1521-Y1561 HydrophobicContact CB-CD1 3.75Å; V1521-Y1561 HydrophobicContact CB-CE1 3.75Å; V1521-Y1561 HydrophobicContact CB-CG 4.33Å; V1521-Y1561 HydrophobicContact CG2-CD1 3.77Å; V1521-Y1561 HydrophobicContact CG2-CD2 4.08Å; V1521-Y1561 HydrophobicContact CG2-CE1 3.58Å; V1521-Y1561 HydrophobicContact CG2-CE2 3.87Å; V1521-Y1561 HydrophobicContact CG2-CG 4.02Å |
| 1522 | I | 88.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 119 | 171.3 | -54.5 | 149.2 | 0 | 0 | 0 | 108.8 | I1506 N1508 G1509 V1524 I1560 Y1562 V1572 I1574 F1586 | I1506-I1522 HydrophobicContact CG2-CG2 3.95Å; N1508-I1522 CarbonylContact O-C 3.54Å; N1508-I1522 WeakPolarHBondContact O-CA 3.37Å; G1509-I1522 WeakPolarHBondContact O-CG1 3.49Å; I1522-V1524 HydrophobicContact CG2-CG2 4.32Å; I1522-I1560 HydrophobicContact CB-CB 4.19Å; I1522-I1560 HydrophobicContact CB-CD1 4.39Å; I1522-I1560 HydrophobicContact CG2-CD1 4.42Å; I1522-I1560 PolarHBondContact N-O 2.84Å; I1522-I1560 PolarHBondContact O-N 2.91Å; I1522-Y1562 HydrophobicContact CD1-CD1 4.32Å; I1522-Y1562 HydrophobicContact CD1-CE1 3.81Å; I1522-Y1562 HydrophobicContact CG1-CE1 4.31Å; I1522-V1572 HydrophobicContact CD1-CG1 4.12Å; I1522-V1572 HydrophobicContact CD1-CG2 4.48Å; I1522-I1574 HydrophobicContact CG2-CD1 4.27Å; I1522-F1586 HydrophobicContact CD1-CE2 4.44Å; I1522-F1586 HydrophobicContact CD1-CZ 3.92Å; I1522-F1586 HydrophobicContact CG1-CZ 4.28Å; I1522-F1586 HydrophobicContact CG2-CZ 4.18Å |
| 1523 | S | 86.1 | Confident | 80.3 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 131.7 | 175.9 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | E1507 N1508 V1558 N1559 | E1507-S1523 PolarHBondContact N-O 3.3Å; N1508-S1523 PolarHBondContact N-O 3.21Å; N1508-S1523 PolarHBondContact O-N 2.82Å; S1523-V1558 CarbonylContact C-O 3.44Å; S1523-V1558 WeakPolarHBondContact CA-O 3.42Å; S1523-N1559 WeakPolarHBondContact CB-OD1 3.34Å; S1523-N1559 PolarHBondContact OG-OD1 3.16Å |
| 1524 | V | 88 | Confident | 80.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 132.3 | 176.9 | -169.2 | 0 | 0 | 0 | 0 | 110.2 | R1505 I1506 I1522 L1534 V1558 I1560 I1574 I1581 | R1505-V1524 CarbonylContact O-C 3.59Å; R1505-V1524 WeakPolarHBondContact O-CA 3.35Å; R1505-V1524 WeakPolarHBondContact O-CG1 3.31Å; I1506-V1524 HydrophobicContact CG1-CG2 4.14Å; I1522-V1524 HydrophobicContact CG2-CG2 4.32Å; V1524-L1534 HydrophobicContact CB-CD1 3.83Å; V1524-L1534 HydrophobicContact CG1-CD1 3.65Å; V1524-L1534 HydrophobicContact CG2-CD1 4.27Å; V1524-V1558 PolarHBondContact N-O 2.83Å; V1524-V1558 PolarHBondContact O-N 3Å; V1524-I1560 HydrophobicContact CG2-CD1 3.72Å; V1524-I1574 HydrophobicContact CG2-CD1 4.13Å; V1524-I1581 HydrophobicContact CG1-CD1 3.72Å |
| 1525 | N | 86 | Confident | 80.9 | Confident | 40 Ų | 40 | 47.5 Ų | 47.5 | 21% | 0.214 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 127.2 | 175 | -167.1 | -39.6 | 0 | 0 | 0 | 110.3 | C1504 R1505 E1507 Q1527 G1556 | C1504-N1525 WeakPolarHBondContact CA-O 3.29Å; R1505-N1525 PolarHBondContact N-O 3.22Å; R1505-N1525 PolarHBondContact O-N 3.26Å; E1507-N1525 HydrophobicContact CG-CB 4.07Å; E1507-N1525 WeakPolarHBondContact OE1-CB 3.42Å; E1507-N1525 PolarHBondContact OE1-ND2 2.88Å; N1525-Q1527 VanDerWaalsContact OD1-CB 3.26Å; N1525-Q1527 WeakPolarHBondContact OD1-CB 3.49Å; N1525-Q1527 PolarHBondContact OD1-N 3.39Å; N1525-G1556 PolarHBondContact OD1-O 2.71Å |
| 1526 | T | 86.3 | Confident | 81.5 | Confident | 17 Ų | 17 | 46.9 Ų | 46.9 | 10% | 0.104 | 27% | 0.274 | C | S | . | . | trans | -115.9 | -0.5 | -179.9 | 57.2 | 0 | 0 | 0 | 0 | 112.6 | Q1528 A1529 L1534 G1556 V1558 F1576 | T1526-Q1528 PolarHBondContact O-N 2.96Å; T1526-A1529 WeakPolarHBondContact O-CB 3.43Å; T1526-A1529 PolarHBondContact O-N 3.34Å; T1526-L1534 HydrophobicContact CG2-CB 4.4Å; T1526-L1534 HydrophobicContact CG2-CD1 3.81Å; T1526-G1556 PolarHBondContact N-O 2.69Å; T1526-G1556 PolarHBondContact OG1-O 2.88Å; T1526-V1558 HydrophobicContact CG2-CB 4.46Å; T1526-V1558 HydrophobicContact CG2-CG2 3.69Å; T1526-F1576 HydrophobicContact CG2-CD2 3.89Å; T1526-F1576 HydrophobicContact CG2-CE2 3.79Å | ||
| 1527 | Q | 81.6 | Confident | 81.7 | Confident | 130 Ų | 130 | 53 Ų | 53 | 61% | 0.607 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -22.5 | -164.9 | -161.1 | -176.5 | 37.4 | 0 | 0 | 115.4 | N1525 N1555 G1556 | N1525-Q1527 VanDerWaalsContact OD1-CB 3.26Å; N1525-Q1527 WeakPolarHBondContact OD1-CB 3.49Å; N1525-Q1527 PolarHBondContact OD1-N 3.39Å; Q1527-N1555 PolarHBondContact NE2-O 3.15Å; Q1527-N1555 VanDerWaalsContact NE2-O 3.13Å; Q1527-G1556 PolarHBondContact N-O 3.02Å |
| 1528 | Q | 80.5 | Confident | 82.3 | Confident | 138 Ų | 138 | 50.5 Ų | 50.5 | 65% | 0.645 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 4 | 178 | -60.9 | -167 | 2.6 | 0 | 0 | 114.6 | M1503 T1526 | M1503-Q1528 HydrophobicContact CB-CB 4.25Å; M1503-Q1528 HydrophobicContact CE-CB 3.72Å; M1503-Q1528 VanDerWaalsContact CE-OE1 3.23Å; T1526-Q1528 PolarHBondContact O-N 2.96Å |
| 1529 | A | 75.9 | Confident | 82.7 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -88.1 | -14 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G1499 R1500 M1503 C1504 T1526 F1576 | G1499-A1529 CarbonylContact C-O 3.59Å; G1499-A1529 WeakPolarHBondContact CA-O 3.48Å; R1500-A1529 PolarHBondContact N-O 2.82Å; R1500-A1529 WeakPolarHBondContact O-CB 3.44Å; M1503-A1529 HydrophobicContact CB-CB 4.16Å; C1504-A1529 WeakPolarHBondContact SG-CB 3.48Å; T1526-A1529 WeakPolarHBondContact O-CB 3.43Å; T1526-A1529 PolarHBondContact O-N 3.34Å; A1529-F1576 HydrophobicContact CB-CD1 3.98Å; A1529-F1576 HydrophobicContact CB-CE1 3.45Å; A1529-F1576 VanDerWaalsContact CB-CE1 3.45Å; A1529-F1576 HydrophobicContact CB-CE2 4.16Å; A1529-F1576 HydrophobicContact CB-CZ 3.54Å |
| 1530 | G | 74.9 | Confident | 82.6 | Confident | 57 Ų | 57 | 43.6 Ų | 43.6 | 59% | 0.588 | 24% | 0.24 | S | C | * | . | trans | 77.7 | -152.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G1532 | G1530-G1532 PolarHBondContact O-N 2.93Š| ||
| 1531 | V | 71.9 | Confident | 82.2 | Confident | 108 Ų | 108 | 46 Ų | 46 | 66% | 0.655 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -85.7 | 105.2 | -172.9 | -173.2 | 0 | 0 | 0 | 0 | 111.1 | S1498 G1499 | S1498-V1531 CarbonylContact C-O 3.47Å; S1498-V1531 VanDerWaalsContact C-O 3.31Å; S1498-V1531 WeakPolarHBondContact CB-O 3.25Å; G1499-V1531 WeakPolarHBondContact CA-O 3.44Å; G1499-V1531 PolarHBondContact N-O 3.02Å |
| 1532 | G | 72.5 | Confident | 81.7 | Confident | 18 Ų | 18 | 47.5 Ų | 47.5 | 19% | 0.186 | 27% | 0.268 | C | S | . | . | trans | -173 | 157.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | S1498 G1530 F1576 | S1498-G1532 WeakPolarHBondContact OG-CA 3.42Å; G1530-G1532 PolarHBondContact O-N 2.93Å; G1532-F1576 WeakPolarHBondContact O-CE2 3.28Å; G1532-F1576 WeakPolarHBondContact O-CZ 3.45Å | ||
| 1533 | Q | 78.7 | Confident | 81 | Confident | 94 Ų | 94 | 50.2 Ų | 50.2 | 44% | 0.439 | 30% | 0.296 | S | S | . | . | trans | -98.5 | 148.6 | 179.4 | -145.7 | -179 | 26 | 0 | 0 | 111.2 | T1422 F1576 G1577 | T1422-Q1533 HydrophobicContact CG2-CB 4.44Å; T1422-Q1533 PolarHBondContact OG1-N 3.39Å; Q1533-F1576 WeakPolarHBondContact O-CA 3.07Å; Q1533-G1577 PolarHBondContact O-N 2.88Å | ||
| 1534 | L | 87.2 | Confident | 80 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 129.6 | 173.6 | -171.9 | 137.2 | 0 | 0 | 0 | 110.7 | V1524 T1526 I1550 V1558 I1560 I1574 R1575 F1576 | V1524-L1534 HydrophobicContact CB-CD1 3.83Å; V1524-L1534 HydrophobicContact CG1-CD1 3.65Å; V1524-L1534 HydrophobicContact CG2-CD1 4.27Å; T1526-L1534 HydrophobicContact CG2-CB 4.4Å; T1526-L1534 HydrophobicContact CG2-CD1 3.81Å; L1534-I1550 HydrophobicContact CD2-CD1 4.35Å; L1534-I1550 HydrophobicContact CD2-CG2 4.26Å; L1534-I1550 WeakPolarHBondContact O-CD1 3.15Å; L1534-V1558 HydrophobicContact CB-CG1 4.32Å; L1534-V1558 HydrophobicContact CD2-CG1 4.03Å; L1534-I1560 HydrophobicContact CD2-CD1 3.67Å; L1534-I1560 HydrophobicContact CD2-CG1 3.81Å; L1534-I1574 HydrophobicContact CD1-CG2 3.97Å; L1534-I1574 HydrophobicContact CD2-CG2 3.93Å; L1534-I1574 HydrophobicContact CG-CG2 3.95Å; L1534-R1575 WeakPolarHBondContact CA-O 3.15Å; L1534-F1576 HydrophobicContact CB-CD2 4.09Å |
| 1535 | T | 83.5 | Confident | 79.3 | Confident | 21 Ų | 21 | 56.3 Ų | 56.3 | 13% | 0.129 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 133.9 | -177.8 | 63.4 | 0 | 0 | 0 | 0 | 110.2 | T1422 M1470 R1575 | T1422-T1535 HydrophobicContact CG2-CG2 4.08Å; M1470-T1535 HydrophobicContact CE-CG2 3.68Å; M1470-T1535 HydrophobicContact SD-CG2 3.87Å; T1535-R1575 PolarHBondContact N-O 2.71Å; T1535-R1575 PolarHBondContact O-N 2.79Å; T1535-R1575 WeakPolarHBondContact OG1-CB 2.95Å |
| 1536 | C | 87.6 | Confident | 78.6 | Confident | 25 Ų | 25 | 55.1 Ų | 55.1 | 17% | 0.169 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 145.2 | 179.6 | -171 | 0 | 0 | 0 | 0 | 111.2 | V1548 I1550 I1560 E1573 | C1536-V1548 HydrophobicContact CB-CG1 3.98Å; C1536-I1550 HydrophobicContact CB-CD1 4.12Å; C1536-I1560 HydrophobicContact CB-CD1 4.24Å; C1536-I1560 HydrophobicContact CB-CG2 3.75Å; C1536-E1573 CarbonylContact C-O 3.56Å; C1536-E1573 WeakPolarHBondContact CA-O 3.31Å |
| 1537 | R | 84 | Confident | 78.1 | Confident | 148 Ų | 148 | 61.5 Ų | 61.5 | 56% | 0.558 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 119.7 | 170.3 | -179.9 | -176.1 | -178.1 | 177.3 | 4.6 | 108.2 | T1545 E1573 | R1537-T1545 HydrophobicContact CG-CG2 3.7Å; R1537-E1573 HydrophobicContact CB-CB 4.46Å; R1537-E1573 PolarHBondContact N-O 2.87Å; R1537-E1573 PolarHBondContact O-N 2.82Å |
| 1538 | I | 85.7 | Confident | 78.1 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 127.3 | 174.6 | -58.1 | -178.7 | 0 | 0 | 0 | 108.5 | T1545 A1546 V1548 Y1562 Y1570 L1571 V1572 | I1538-T1545 CarbonylContact O-C 3.53Å; I1538-T1545 WeakPolarHBondContact O-CA 3.41Å; I1538-A1546 HydrophobicContact CB-CB 4.35Å; I1538-A1546 HydrophobicContact CG2-CB 4.37Å; I1538-A1546 PolarHBondContact O-N 2.91Å; I1538-V1548 HydrophobicContact CB-CG2 4.12Å; I1538-V1548 HydrophobicContact CD1-CG1 4.4Å; I1538-V1548 HydrophobicContact CD1-CG2 3.91Å; I1538-V1548 HydrophobicContact CG1-CG2 3.82Å; I1538-Y1562 HydrophobicContact CD1-CD1 3.4Å; I1538-Y1562 HydrophobicContact CD1-CD2 3.8Å; I1538-Y1562 HydrophobicContact CD1-CE1 3.65Å; I1538-Y1562 HydrophobicContact CD1-CE2 4.03Å; I1538-Y1562 HydrophobicContact CD1-CG 3.45Å; I1538-Y1562 VanDerWaalsContact CD1-CG 3.45Å; I1538-Y1570 HydrophobicContact CG2-CD1 3.9Å; I1538-Y1570 HydrophobicContact CG2-CG 4.45Å; I1538-L1571 CarbonylContact C-O 3.52Å; I1538-L1571 WeakPolarHBondContact CA-O 3.34Å; I1538-V1572 HydrophobicContact CD1-CG2 4.2Å; I1538-V1572 HydrophobicContact CG1-CB 4.38Å; I1538-V1572 HydrophobicContact CG1-CG1 4.12Å; I1538-V1572 HydrophobicContact CG1-CG2 4.07Å; I1538-V1572 HydrophobicContact CG2-CG2 4.39Å |
| 1539 | V | 78.7 | Confident | 78.1 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 18% | 0.176 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 128.9 | 175.5 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | A1544 T1545 Y1570 L1571 | V1539-A1544 CarbonylContact C-O 3.53Å; V1539-A1544 WeakPolarHBondContact CA-O 3.24Å; V1539-T1545 HydrophobicContact CG2-CG2 4.25Å; V1539-Y1570 CarbonylContact O-C 3.58Å; V1539-Y1570 VanDerWaalsContact O-CA 3.28Å; V1539-Y1570 WeakPolarHBondContact O-CA 3.38Å; V1539-L1571 HydrophobicContact CB-CB 4.36Å; V1539-L1571 PolarHBondContact N-O 3.29Å; V1539-L1571 PolarHBondContact O-N 2.88Å |
| 1540 | T | 82.3 | Confident | 78.5 | Confident | 13 Ų | 13 | 59 Ų | 59 | 8% | 0.08 | 36% | 0.36 | C | S | . | . | trans | -84.7 | 170.8 | -175.3 | 78.2 | 0 | 0 | 0 | 0 | 112 | S1542 G1543 A1544 A1546 Y1570 | T1540-S1542 PolarHBondContact O-N 2.87Å; T1540-S1542 PolarHBondContact OG1-N 2.68Å; T1540-S1542 PolarHBondContact OG1-OG 3.33Å; T1540-G1543 PolarHBondContact O-N 2.88Å; T1540-A1544 WeakPolarHBondContact CG2-O 3.26Å; T1540-A1544 PolarHBondContact N-O 3.5Å; T1540-A1544 PolarHBondContact OG1-O 3.24Å; T1540-A1546 HydrophobicContact CG2-CB 3.7Å; T1540-Y1570 HydrophobicContact CG2-CD1 4Å; T1540-Y1570 HydrophobicContact CG2-CE1 3.63Å | ||
| 1541 | P | 78.1 | Confident | 78.7 | Confident | 60 Ų | 60 | 61.8 Ų | 61.8 | 39% | 0.39 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -17.4 | 177.4 | -21.7 | 31.5 | 0 | 0 | 0 | 114.8 | I1566 D1569 Y1570 | P1541-I1566 HydrophobicContact CG-CG1 4.46Å; P1541-D1569 WeakPolarHBondContact CG-O 3.33Å; P1541-Y1570 HydrophobicContact CG-CD2 4.12Å; P1541-Y1570 HydrophobicContact CG-CE2 3.85Å |
| 1542 | S | 77.6 | Confident | 78.7 | Confident | 88 Ų | 88 | 62.1 Ų | 62.1 | 62% | 0.615 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -1.4 | 176.1 | 62.2 | 0 | 0 | 0 | 0 | 113.9 | T1540 A1544 | T1540-S1542 PolarHBondContact O-N 2.87Å; T1540-S1542 PolarHBondContact OG1-N 2.68Å; T1540-S1542 PolarHBondContact OG1-OG 3.33Å; S1542-A1544 VanDerWaalsContact C-N 3.29Å; S1542-A1544 PolarHBondContact O-N 3.44Å |
| 1543 | G | 73.3 | Confident | 78.8 | Confident | 58 Ų | 58 | 63 Ų | 63 | 60% | 0.598 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 84.1 | -6.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | T1540 | T1540-G1543 PolarHBondContact O-N 2.88Š|
| 1544 | A | 66.5 | Low | 78.4 | Confident | 52 Ų | 52 | 65.6 Ų | 65.6 | 43% | 0.43 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 160.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | V1539 T1540 S1542 | V1539-A1544 CarbonylContact C-O 3.53Å; V1539-A1544 WeakPolarHBondContact CA-O 3.24Å; T1540-A1544 WeakPolarHBondContact CG2-O 3.26Å; T1540-A1544 PolarHBondContact N-O 3.5Å; T1540-A1544 PolarHBondContact OG1-O 3.24Å; S1542-A1544 VanDerWaalsContact C-N 3.29Å; S1542-A1544 PolarHBondContact O-N 3.44Å |
| 1545 | T | 72.9 | Confident | 77.8 | Confident | 81 Ų | 81 | 70 Ų | 70 | 50% | 0.497 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 143.4 | 166 | 36.9 | 0 | 0 | 0 | 0 | 111.2 | R1537 I1538 V1539 | R1537-T1545 HydrophobicContact CG-CG2 3.7Å; I1538-T1545 CarbonylContact O-C 3.53Å; I1538-T1545 WeakPolarHBondContact O-CA 3.41Å; V1539-T1545 HydrophobicContact CG2-CG2 4.25Å |
| 1546 | A | 71.8 | Confident | 77.2 | Confident | 15 Ų | 15 | 69.9 Ų | 69.9 | 12% | 0.124 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 153.4 | 167 | 0 | 0 | 0 | 0 | 0 | 110.4 | I1538 T1540 V1548 | I1538-A1546 HydrophobicContact CB-CB 4.35Å; I1538-A1546 HydrophobicContact CG2-CB 4.37Å; I1538-A1546 PolarHBondContact O-N 2.91Å; T1540-A1546 HydrophobicContact CG2-CB 3.7Å; A1546-V1548 WeakPolarHBondContact O-CG2 3.47Å |
| 1547 | D | 74.2 | Confident | 76.8 | Confident | 151 Ų | 151 | 71.9 Ų | 71.9 | 81% | 0.807 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 144.9 | 169 | -64 | -57.1 | 0 | 0 | 0 | 111.3 | Y1562 | D1547-Y1562 WeakPolarHBondContact O-CB 3.47Š|
| 1548 | V | 83.4 | Confident | 76.7 | Confident | 37 Ų | 37 | 64.9 Ų | 64.9 | 22% | 0.224 | 39% | 0.387 | C | S | . | . | trans | -145.4 | 117.4 | -174.5 | -165.4 | 0 | 0 | 0 | 0 | 109.7 | C1536 I1538 A1546 I1560 Y1561 | C1536-V1548 HydrophobicContact CB-CG1 3.98Å; I1538-V1548 HydrophobicContact CB-CG2 4.12Å; I1538-V1548 HydrophobicContact CD1-CG1 4.4Å; I1538-V1548 HydrophobicContact CD1-CG2 3.91Å; I1538-V1548 HydrophobicContact CG1-CG2 3.82Å; A1546-V1548 WeakPolarHBondContact O-CG2 3.47Å; V1548-I1560 HydrophobicContact CG1-CG2 3.19Å; V1548-Y1561 CarbonylContact C-O 3.55Å; V1548-Y1561 WeakPolarHBondContact CA-O 3.47Å; V1548-Y1561 WeakPolarHBondContact CG1-O 3.46Å | ||
| 1549 | E | 79.1 | Confident | 76.7 | Confident | 121 Ų | 121 | 66.4 Ų | 66.4 | 57% | 0.565 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 154 | 169.8 | -71.1 | -170.6 | 151.5 | 0 | 0 | 111 | I1560 Y1561 | E1549-I1560 CarbonylContact O-C 3.51Å; E1549-I1560 WeakPolarHBondContact O-CA 3.39Å; E1549-Y1561 PolarHBondContact N-O 2.92Å; E1549-Y1561 PolarHBondContact O-N 3.01Å |
| 1550 | I | 85.2 | Confident | 77.2 | Confident | 59 Ų | 59 | 65 Ų | 65 | 30% | 0.303 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 115 | -178.6 | -54.5 | -178.8 | 0 | 0 | 0 | 109.4 | L1534 C1536 V1558 N1559 I1560 | L1534-I1550 HydrophobicContact CD2-CD1 4.35Å; L1534-I1550 HydrophobicContact CD2-CG2 4.26Å; L1534-I1550 WeakPolarHBondContact O-CD1 3.15Å; C1536-I1550 HydrophobicContact CB-CD1 4.12Å; I1550-V1558 HydrophobicContact CG2-CG1 3.34Å; I1550-N1559 WeakPolarHBondContact CA-O 3.39Å; I1550-I1560 HydrophobicContact CG1-CG2 4.38Å |
| 1551 | H | 77.9 | Confident | 77.3 | Confident | 116 Ų | 116 | 66.9 Ų | 66.9 | 54% | 0.537 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 122.9 | 176.7 | -80.3 | 154.2 | 0 | 0 | 0 | 111.6 | V1558 N1559 Y1561 | H1551-V1558 CarbonylContact O-C 3.58Å; H1551-V1558 WeakPolarHBondContact O-CA 3.34Å; H1551-N1559 PolarHBondContact N-O 2.91Å; H1551-N1559 PolarHBondContact O-N 3.07Å; H1551-Y1561 HydrophobicContact CB-CE2 4.1Å; H1551-Y1561 AromaticContact ND1-CE2 3.79Å |
| 1552 | E | 73.5 | Confident | 77.8 | Confident | 115 Ų | 115 | 64.3 Ų | 64.3 | 54% | 0.537 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 125.4 | 172.2 | -53.8 | -156.4 | 124.9 | 0 | 0 | 111.1 | V1558 | E1552-V1558 HydrophobicContact CB-CG2 4.31Å; E1552-V1558 HydrophobicContact CG-CG1 4.1Å; E1552-V1558 HydrophobicContact CG-CG2 3.87Å; E1552-V1558 WeakPolarHBondContact OE1-CG2 3.48Å |
| 1553 | A | 72.9 | Confident | 78 | Confident | 37 Ų | 37 | 63.1 Ų | 63.1 | 31% | 0.306 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 145.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | N1555 G1556 R1557 | A1553-N1555 PolarHBondContact O-N 2.9Å; A1553-G1556 PolarHBondContact O-N 2.92Å; A1553-R1557 WeakPolarHBondContact CA-O 3.42Å; A1553-R1557 VanDerWaalsContact CB-O 3.27Å; A1553-R1557 WeakPolarHBondContact CB-O 3.22Å; A1553-R1557 PolarHBondContact N-O 3.5Å |
| 1554 | P | 71.5 | Confident | 78.4 | Confident | 148 Ų | 148 | 60.4 Ų | 60.4 | 96% | 0.961 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 4.6 | -168.4 | 26.7 | -36.3 | 0 | 0 | 0 | 115.8 | ||
| 1555 | N | 74.2 | Confident | 78.9 | Confident | 96 Ų | 96 | 62.1 Ų | 62.1 | 51% | 0.513 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | 5.3 | 172.7 | 61.4 | -4.4 | 0 | 0 | 0 | 113.8 | Q1527 A1553 R1557 | Q1527-N1555 PolarHBondContact NE2-O 3.15Å; Q1527-N1555 VanDerWaalsContact NE2-O 3.13Å; A1553-N1555 PolarHBondContact O-N 2.9Å; N1555-R1557 VanDerWaalsContact OD1-CB 3.28Å; N1555-R1557 WeakPolarHBondContact OD1-CB 3.18Å; N1555-R1557 PolarHBondContact OD1-N 3.34Å |
| 1556 | G | 70.9 | Confident | 79.1 | Confident | 19 Ų | 19 | 61.9 Ų | 61.9 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 24.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N1525 T1526 Q1527 A1553 | N1525-G1556 PolarHBondContact OD1-O 2.71Å; T1526-G1556 PolarHBondContact N-O 2.69Å; T1526-G1556 PolarHBondContact OG1-O 2.88Å; Q1527-G1556 PolarHBondContact N-O 3.02Å; A1553-G1556 PolarHBondContact O-N 2.92Å |
| 1557 | R | 79.8 | Confident | 79.4 | Confident | 67 Ų | 67 | 68.9 Ų | 68.9 | 25% | 0.253 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 130.6 | 172.7 | -161.6 | -172.4 | -141.5 | -142.7 | 1.2 | 108.7 | E1507 A1553 N1555 | E1507-R1557 IonicContact OE2-CZ 2.72Å; E1507-R1557 IonicContact OE2-NE 2.75Å; E1507-R1557 PolarHBondContact OE2-NE 3.16Å; E1507-R1557 IonicContact OE2-NH2 3.48Å; E1507-R1557 PolarHBondContact OE2-NH2 2.68Å; A1553-R1557 WeakPolarHBondContact CA-O 3.42Å; A1553-R1557 VanDerWaalsContact CB-O 3.27Å; A1553-R1557 WeakPolarHBondContact CB-O 3.22Å; A1553-R1557 PolarHBondContact N-O 3.5Å; N1555-R1557 VanDerWaalsContact OD1-CB 3.28Å; N1555-R1557 WeakPolarHBondContact OD1-CB 3.18Å; N1555-R1557 PolarHBondContact OD1-N 3.34Å |
| 1558 | V | 81.9 | Confident | 79.7 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 123 | -175.8 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | S1523 V1524 T1526 L1534 I1550 H1551 E1552 | S1523-V1558 CarbonylContact C-O 3.44Å; S1523-V1558 WeakPolarHBondContact CA-O 3.42Å; V1524-V1558 PolarHBondContact N-O 2.83Å; V1524-V1558 PolarHBondContact O-N 3Å; T1526-V1558 HydrophobicContact CG2-CB 4.46Å; T1526-V1558 HydrophobicContact CG2-CG2 3.69Å; L1534-V1558 HydrophobicContact CB-CG1 4.32Å; L1534-V1558 HydrophobicContact CD2-CG1 4.03Å; I1550-V1558 HydrophobicContact CG2-CG1 3.34Å; H1551-V1558 CarbonylContact O-C 3.58Å; H1551-V1558 WeakPolarHBondContact O-CA 3.34Å; E1552-V1558 HydrophobicContact CB-CG2 4.31Å; E1552-V1558 HydrophobicContact CG-CG1 4.1Å; E1552-V1558 HydrophobicContact CG-CG2 3.87Å; E1552-V1558 WeakPolarHBondContact OE1-CG2 3.48Å |
| 1559 | N | 86.1 | Confident | 79.7 | Confident | 32 Ų | 32 | 65 Ų | 65 | 17% | 0.171 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 122.9 | -179.7 | -75.5 | -9.3 | 0 | 0 | 0 | 109.6 | V1521 S1523 I1550 H1551 Y1561 | V1521-N1559 HydrophobicContact CG2-CB 3.69Å; S1523-N1559 WeakPolarHBondContact CB-OD1 3.34Å; S1523-N1559 PolarHBondContact OG-OD1 3.16Å; I1550-N1559 WeakPolarHBondContact CA-O 3.39Å; H1551-N1559 PolarHBondContact N-O 2.91Å; H1551-N1559 PolarHBondContact O-N 3.07Å; N1559-Y1561 HydrophobicContact CB-CD2 4.17Å; N1559-Y1561 HydrophobicContact CB-CE2 3.41Å; N1559-Y1561 VanDerWaalsContact CB-CE2 3.41Å; N1559-Y1561 PolarHBondContact ND2-OH 3.05Å |
| 1560 | I | 88.5 | Confident | 80.1 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 111.4 | -179.2 | -54.3 | 166.1 | 0 | 0 | 0 | 107.3 | V1521 I1522 V1524 L1534 C1536 V1548 E1549 I1550 I1574 | V1521-I1560 CarbonylContact C-O 3.39Å; V1521-I1560 VanDerWaalsContact CA-O 3.28Å; V1521-I1560 WeakPolarHBondContact CA-O 3.28Å; I1522-I1560 HydrophobicContact CB-CB 4.19Å; I1522-I1560 HydrophobicContact CB-CD1 4.39Å; I1522-I1560 HydrophobicContact CG2-CD1 4.42Å; I1522-I1560 PolarHBondContact N-O 2.84Å; I1522-I1560 PolarHBondContact O-N 2.91Å; V1524-I1560 HydrophobicContact CG2-CD1 3.72Å; L1534-I1560 HydrophobicContact CD2-CD1 3.67Å; L1534-I1560 HydrophobicContact CD2-CG1 3.81Å; C1536-I1560 HydrophobicContact CB-CD1 4.24Å; C1536-I1560 HydrophobicContact CB-CG2 3.75Å; V1548-I1560 HydrophobicContact CG1-CG2 3.19Å; E1549-I1560 CarbonylContact O-C 3.51Å; E1549-I1560 WeakPolarHBondContact O-CA 3.39Å; I1550-I1560 HydrophobicContact CG1-CG2 4.38Å; I1560-I1574 HydrophobicContact CD1-CD1 3.63Å; I1560-I1574 HydrophobicContact CD1-CG1 4.06Å; I1560-I1574 HydrophobicContact CD1-CG2 4.22Å |
| 1561 | Y | 84.9 | Confident | 80.3 | Confident | 52 Ų | 52 | 58.9 Ų | 58.9 | 20% | 0.204 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 140.2 | -178.6 | -63.8 | -99.5 | 0 | 0 | 0 | 110.6 | E1519 C1520 V1521 V1548 E1549 H1551 N1559 | E1519-Y1561 HydrophobicContact CG-CD1 4.02Å; E1519-Y1561 WeakPolarHBondContact OE2-CD1 3.16Å; C1520-Y1561 CarbonylContact O-C 3.59Å; C1520-Y1561 VanDerWaalsContact O-CA 3.3Å; C1520-Y1561 WeakPolarHBondContact O-CA 3.1Å; V1521-Y1561 HydrophobicContact CB-CD1 3.75Å; V1521-Y1561 HydrophobicContact CB-CE1 3.75Å; V1521-Y1561 HydrophobicContact CB-CG 4.33Å; V1521-Y1561 HydrophobicContact CG2-CD1 3.77Å; V1521-Y1561 HydrophobicContact CG2-CD2 4.08Å; V1521-Y1561 HydrophobicContact CG2-CE1 3.58Å; V1521-Y1561 HydrophobicContact CG2-CE2 3.87Å; V1521-Y1561 HydrophobicContact CG2-CG 4.02Å; V1548-Y1561 CarbonylContact C-O 3.55Å; V1548-Y1561 WeakPolarHBondContact CA-O 3.47Å; V1548-Y1561 WeakPolarHBondContact CG1-O 3.46Å; E1549-Y1561 PolarHBondContact N-O 2.92Å; E1549-Y1561 PolarHBondContact O-N 3.01Å; H1551-Y1561 HydrophobicContact CB-CE2 4.1Å; H1551-Y1561 AromaticContact ND1-CE2 3.79Å; N1559-Y1561 HydrophobicContact CB-CD2 4.17Å; N1559-Y1561 HydrophobicContact CB-CE2 3.41Å; N1559-Y1561 VanDerWaalsContact CB-CE2 3.41Å; N1559-Y1561 PolarHBondContact ND2-OH 3.05Å |
| 1562 | Y | 87.6 | Confident | 80.9 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 2% | 0.024 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 150.2 | 171.1 | 73.3 | -79.8 | 0 | 0 | 0 | 111.3 | I1514 C1520 I1522 I1538 D1547 P1564 Q1588 | I1514-Y1562 HydrophobicContact CD1-CE2 3.86Å; I1514-Y1562 WeakPolarHBondContact CD1-OH 3.4Å; C1520-Y1562 HydrophobicContact CB-CD1 4.19Å; C1520-Y1562 HydrophobicContact CB-CE1 3.96Å; C1520-Y1562 WeakPolarHBondContact CB-O 3.23Å; C1520-Y1562 PolarHBondContact N-O 3.14Å; C1520-Y1562 PolarHBondContact O-N 3.01Å; I1522-Y1562 HydrophobicContact CD1-CD1 4.32Å; I1522-Y1562 HydrophobicContact CD1-CE1 3.81Å; I1522-Y1562 HydrophobicContact CG1-CE1 4.31Å; I1538-Y1562 HydrophobicContact CD1-CD1 3.4Å; I1538-Y1562 HydrophobicContact CD1-CD2 3.8Å; I1538-Y1562 HydrophobicContact CD1-CE1 3.65Å; I1538-Y1562 HydrophobicContact CD1-CE2 4.03Å; I1538-Y1562 HydrophobicContact CD1-CG 3.45Å; I1538-Y1562 VanDerWaalsContact CD1-CG 3.45Å; D1547-Y1562 WeakPolarHBondContact O-CB 3.47Å; Y1562-P1564 HydrophobicContact CE2-CB 4.34Å; Y1562-P1564 HydrophobicContact CE2-CG 4.49Å; Y1562-Q1588 PolarHBondContact OH-OE1 2.82Å |
| 1563 | T | 82.4 | Confident | 81.6 | Confident | 63 Ų | 63 | 49.1 Ų | 49.1 | 39% | 0.387 | 27% | 0.268 | S | S | . | . | trans | -108.7 | 119.6 | 170.8 | -67.7 | 0 | 0 | 0 | 0 | 109.1 | E1519 P1565 | E1519-T1563 WeakPolarHBondContact CA-OG1 3.12Å; T1563-P1565 WeakPolarHBondContact O-CD 3.44Å | ||
| 1564 | P | 81.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -75.2 | 114 | 174.2 | 28.8 | -32.2 | 0 | 0 | 0 | 110.3 | I1514 V1516 G1517 Q1518 Y1562 Y1570 A1590 | I1514-P1564 HydrophobicContact CD1-CB 4.17Å; I1514-P1564 HydrophobicContact CD1-CG 3.75Å; I1514-P1564 HydrophobicContact CG1-CG 4.05Å; V1516-P1564 WeakPolarHBondContact CA-O 3.28Å; V1516-P1564 WeakPolarHBondContact CG2-O 3.38Å; G1517-P1564 PolarHBondContact N-O 2.81Å; Q1518-P1564 WeakPolarHBondContact O-CD 3.29Å; Y1562-P1564 HydrophobicContact CE2-CB 4.34Å; Y1562-P1564 HydrophobicContact CE2-CG 4.49Å; P1564-Y1570 HydrophobicContact CB-CD2 4.43Å; P1564-Y1570 HydrophobicContact CB-CE1 3.93Å; P1564-Y1570 HydrophobicContact CB-CE2 3.72Å; P1564-Y1570 VanDerWaalsContact CB-CZ 3.44Å; P1564-Y1570 WeakPolarHBondContact CB-OH 3.48Å; P1564-A1590 HydrophobicContact CB-CB 3.77Å; P1564-A1590 HydrophobicContact CG-CB 3.78Å | ||
| 1565 | P | 76.6 | Confident | 83.2 | Confident | 89 Ų | 89 | 44 Ų | 44 | 58% | 0.578 | 22% | 0.221 | S | C | * | . | trans | -79.8 | -22.3 | -174 | 31.1 | -36.4 | 0 | 0 | 0 | 114.1 | T1563 Y1570 | T1563-P1565 WeakPolarHBondContact O-CD 3.44Å; P1565-Y1570 WeakPolarHBondContact CD-OH 3.23Å | ||
| 1566 | I | 76.8 | Confident | 83.8 | Confident | 75 Ų | 75 | 39.5 Ų | 39.5 | 39% | 0.385 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -127.9 | 144.2 | -177.4 | 51.3 | 176.3 | 0 | 0 | 0 | 112.4 | V1516 P1541 G1568 Y1570 | V1516-I1566 VanDerWaalsContact CG2-C 3.43Å; P1541-I1566 HydrophobicContact CG-CG1 4.46Å; I1566-G1568 PolarHBondContact O-N 2.9Å; I1566-Y1570 WeakPolarHBondContact CG1-OH 3.42Å; I1566-Y1570 PolarHBondContact N-OH 2.69Å; I1566-Y1570 VanDerWaalsContact O-CE2 3.29Å; I1566-Y1570 WeakPolarHBondContact O-CE2 3.47Å; I1566-Y1570 PolarHBondContact O-OH 3.01Å |
| 1567 | R | 77.8 | Confident | 84.4 | Confident | 163 Ų | 163 | 38.6 Ų | 38.6 | 62% | 0.615 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -70 | 125.2 | 177.5 | -67.4 | -177.6 | 173 | 153.9 | -10.2 | 110.4 | V1516 A1590 S1592 | V1516-R1567 HydrophobicContact CB-CG 4.17Å; V1516-R1567 HydrophobicContact CG1-CG 4Å; V1516-R1567 HydrophobicContact CG2-CG 4.11Å; R1567-A1590 WeakPolarHBondContact CG-O 3.37Å; R1567-S1592 VanDerWaalsContact NH2-CB 3.27Å; R1567-S1592 PolarHBondContact NH2-OG 2.82Å |
| 1568 | G | 80.8 | Confident | 84.3 | Confident | 15 Ų | 15 | 35.6 Ų | 35.6 | 16% | 0.155 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 159.4 | -172.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1566 Y1570 K1589 A1590 | I1566-G1568 PolarHBondContact O-N 2.9Å; G1568-Y1570 WeakPolarHBondContact O-CD2 3.2Å; G1568-K1589 VanDerWaalsContact O-CA 3.3Å; G1568-K1589 WeakPolarHBondContact O-CA 3.39Å; G1568-K1589 WeakPolarHBondContact O-CG 3.14Å; G1568-A1590 PolarHBondContact O-N 3.08Å |
| 1569 | D | 82.8 | Confident | 84.3 | Confident | 90 Ų | 90 | 40 Ų | 40 | 48% | 0.481 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 127.7 | 179.7 | -53.7 | -75.5 | 0 | 0 | 0 | 111.6 | P1541 Q1588 K1589 | P1541-D1569 WeakPolarHBondContact CG-O 3.33Å; D1569-Q1588 CarbonylContact C-O 3.58Å; D1569-Q1588 WeakPolarHBondContact CA-O 3.24Å; D1569-K1589 WeakPolarHBondContact OD1-CD 3.24Å; D1569-K1589 WeakPolarHBondContact OD1-CG 3.19Å; D1569-K1589 IonicContact OD1-NZ 3.05Å; D1569-K1589 PolarHBondContact OD1-NZ 3.38Å; D1569-K1589 IonicContact OD2-NZ 2.74Å; D1569-K1589 PolarHBondContact OD2-NZ 3.03Å |
| 1570 | Y | 88.3 | Confident | 84.1 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 148.3 | -179.8 | -67.7 | -114.1 | 0 | 0 | 0 | 109.9 | I1538 V1539 T1540 P1541 P1564 P1565 I1566 G1568 N1587 Q1588 A1590 | I1538-Y1570 HydrophobicContact CG2-CD1 3.9Å; I1538-Y1570 HydrophobicContact CG2-CG 4.45Å; V1539-Y1570 CarbonylContact O-C 3.58Å; V1539-Y1570 VanDerWaalsContact O-CA 3.28Å; V1539-Y1570 WeakPolarHBondContact O-CA 3.38Å; T1540-Y1570 HydrophobicContact CG2-CD1 4Å; T1540-Y1570 HydrophobicContact CG2-CE1 3.63Å; P1541-Y1570 HydrophobicContact CG-CD2 4.12Å; P1541-Y1570 HydrophobicContact CG-CE2 3.85Å; P1564-Y1570 HydrophobicContact CB-CD2 4.43Å; P1564-Y1570 HydrophobicContact CB-CE1 3.93Å; P1564-Y1570 HydrophobicContact CB-CE2 3.72Å; P1564-Y1570 VanDerWaalsContact CB-CZ 3.44Å; P1564-Y1570 WeakPolarHBondContact CB-OH 3.48Å; P1565-Y1570 WeakPolarHBondContact CD-OH 3.23Å; I1566-Y1570 WeakPolarHBondContact CG1-OH 3.42Å; I1566-Y1570 PolarHBondContact N-OH 2.69Å; I1566-Y1570 VanDerWaalsContact O-CE2 3.29Å; I1566-Y1570 WeakPolarHBondContact O-CE2 3.47Å; I1566-Y1570 PolarHBondContact O-OH 3.01Å; G1568-Y1570 WeakPolarHBondContact O-CD2 3.2Å; Y1570-N1587 CarbonylContact O-C 3.52Å; Y1570-N1587 WeakPolarHBondContact O-CA 3.28Å; Y1570-N1587 VanDerWaalsContact O-CB 3.3Å; Y1570-N1587 WeakPolarHBondContact O-CB 3.4Å; Y1570-Q1588 PolarHBondContact N-O 3.04Å; Y1570-Q1588 PolarHBondContact O-N 2.74Å; Y1570-A1590 HydrophobicContact CE2-CB 4.24Å |
| 1571 | L | 89.2 | Confident | 84 | Confident | 51 Ų | 51 | 42.3 Ų | 42.3 | 27% | 0.267 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 118.5 | 174.4 | 166.9 | 67.5 | 0 | 0 | 0 | 110.1 | I1538 V1539 R1585 N1587 | I1538-L1571 CarbonylContact C-O 3.52Å; I1538-L1571 WeakPolarHBondContact CA-O 3.34Å; V1539-L1571 HydrophobicContact CB-CB 4.36Å; V1539-L1571 PolarHBondContact N-O 3.29Å; V1539-L1571 PolarHBondContact O-N 2.88Å; L1571-R1585 HydrophobicContact CD1-CG 3.88Å; L1571-N1587 VanDerWaalsContact CD1-OD1 3.26Å; L1571-N1587 WeakPolarHBondContact CD1-OD1 3.4Å |
| 1572 | V | 89.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 139.3 | 177.7 | -174.9 | 0 | 0 | 0 | 0 | 110.1 | I1522 I1538 I1574 R1585 F1586 | I1522-V1572 HydrophobicContact CD1-CG1 4.12Å; I1522-V1572 HydrophobicContact CD1-CG2 4.48Å; I1538-V1572 HydrophobicContact CD1-CG2 4.2Å; I1538-V1572 HydrophobicContact CG1-CB 4.38Å; I1538-V1572 HydrophobicContact CG1-CG1 4.12Å; I1538-V1572 HydrophobicContact CG1-CG2 4.07Å; I1538-V1572 HydrophobicContact CG2-CG2 4.39Å; V1572-I1574 HydrophobicContact CG1-CD1 4.22Å; V1572-I1574 HydrophobicContact CG1-CG1 3.93Å; V1572-R1585 VanDerWaalsContact O-CA 3.25Å; V1572-R1585 WeakPolarHBondContact O-CA 3.41Å; V1572-F1586 HydrophobicContact CB-CD1 4.27Å; V1572-F1586 HydrophobicContact CB-CD2 4.29Å; V1572-F1586 HydrophobicContact CB-CE1 3.99Å; V1572-F1586 HydrophobicContact CB-CE2 4.02Å; V1572-F1586 HydrophobicContact CB-CG 4.41Å; V1572-F1586 HydrophobicContact CB-CZ 3.87Å; V1572-F1586 HydrophobicContact CG1-CD1 4.45Å; V1572-F1586 HydrophobicContact CG1-CE1 3.75Å; V1572-F1586 HydrophobicContact CG1-CE2 4.29Å; V1572-F1586 HydrophobicContact CG1-CZ 3.67Å; V1572-F1586 HydrophobicContact CG2-CD2 4.23Å; V1572-F1586 HydrophobicContact CG2-CE2 3.82Å; V1572-F1586 HydrophobicContact CG2-CZ 4.05Å; V1572-F1586 PolarHBondContact N-O 3.34Å; V1572-F1586 PolarHBondContact O-N 3.32Å |
| 1573 | E | 88.7 | Confident | 83.1 | Confident | 26 Ų | 26 | 49.1 Ų | 49.1 | 12% | 0.121 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 122.8 | 168.4 | -84.3 | -177.6 | -147 | 0 | 0 | 111.1 | C1536 R1537 G1584 R1585 | C1536-E1573 CarbonylContact C-O 3.56Å; C1536-E1573 WeakPolarHBondContact CA-O 3.31Å; R1537-E1573 HydrophobicContact CB-CB 4.46Å; R1537-E1573 PolarHBondContact N-O 2.87Å; R1537-E1573 PolarHBondContact O-N 2.82Å; E1573-G1584 CarbonylContact C-O 3.59Å; E1573-G1584 VanDerWaalsContact CA-O 3.27Å; E1573-G1584 WeakPolarHBondContact CA-O 3.43Å; E1573-R1585 HydrophobicContact CG-CB 4.37Å; E1573-R1585 HydrophobicContact CG-CG 3.74Å; E1573-R1585 IonicContact OE1-CZ 3.31Å; E1573-R1585 IonicContact OE1-NE 3.92Å; E1573-R1585 PolarHBondContact OE1-NE 3.11Å; E1573-R1585 IonicContact OE1-NH2 3.66Å; E1573-R1585 PolarHBondContact OE1-NH2 2.81Å |
| 1574 | I | 90.2 | Very high | 83 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 133.3 | -178.5 | -52.1 | 172.2 | 0 | 0 | 0 | 110.2 | I1506 I1522 V1524 L1534 I1560 V1572 L1580 I1581 G1584 F1586 | I1506-I1574 HydrophobicContact CD1-CD1 4.05Å; I1506-I1574 HydrophobicContact CG1-CD1 4.29Å; I1522-I1574 HydrophobicContact CG2-CD1 4.27Å; V1524-I1574 HydrophobicContact CG2-CD1 4.13Å; L1534-I1574 HydrophobicContact CD1-CG2 3.97Å; L1534-I1574 HydrophobicContact CD2-CG2 3.93Å; L1534-I1574 HydrophobicContact CG-CG2 3.95Å; I1560-I1574 HydrophobicContact CD1-CD1 3.63Å; I1560-I1574 HydrophobicContact CD1-CG1 4.06Å; I1560-I1574 HydrophobicContact CD1-CG2 4.22Å; V1572-I1574 HydrophobicContact CG1-CD1 4.22Å; V1572-I1574 HydrophobicContact CG1-CG1 3.93Å; I1574-L1580 WeakPolarHBondContact O-CD2 3.31Å; I1574-I1581 HydrophobicContact CB-CD1 3.93Å; I1574-I1581 HydrophobicContact CB-CG1 4.02Å; I1574-I1581 HydrophobicContact CG2-CD1 3.54Å; I1574-I1581 HydrophobicContact CG2-CG1 3.99Å; I1574-I1581 PolarHBondContact O-N 3.35Å; I1574-I1581 VanDerWaalsContact O-N 3.14Å; I1574-G1584 PolarHBondContact N-O 2.91Å; I1574-F1586 HydrophobicContact CD1-CE1 3.91Å; I1574-F1586 HydrophobicContact CD1-CZ 4.38Å |
| 1575 | R | 88.9 | Confident | 83.3 | Confident | 76 Ų | 76 | 53.5 Ų | 53.5 | 29% | 0.287 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 159.3 | 178.8 | -67.9 | 169.9 | -179.6 | -105.3 | 1.2 | 110.7 | L1534 T1535 G1578 E1579 L1580 | L1534-R1575 WeakPolarHBondContact CA-O 3.15Å; T1535-R1575 PolarHBondContact N-O 2.71Å; T1535-R1575 PolarHBondContact O-N 2.79Å; T1535-R1575 WeakPolarHBondContact OG1-CB 2.95Å; R1575-G1578 PolarHBondContact NH1-O 2.87Å; R1575-E1579 CarbonylContact C-O 3.48Å; R1575-E1579 WeakPolarHBondContact CA-O 3.08Å; R1575-E1579 WeakPolarHBondContact CB-O 3.48Å; R1575-L1580 HydrophobicContact CG-CB 4.41Å; R1575-L1580 HydrophobicContact CG-CG 4.09Å |
| 1576 | F | 86.8 | Confident | 83.9 | Confident | 3 Ų | 3 | 51 Ų | 51 | 1% | 0.013 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 125.2 | 172.7 | -177.4 | -87.1 | 0 | 0 | 0 | 108.8 | C1504 T1526 A1529 G1532 Q1533 L1534 G1578 E1579 I1581 | C1504-F1576 VanDerWaalsContact SG-CD2 3.5Å; C1504-F1576 WeakPolarHBondContact SG-CG 3.36Å; T1526-F1576 HydrophobicContact CG2-CD2 3.89Å; T1526-F1576 HydrophobicContact CG2-CE2 3.79Å; A1529-F1576 HydrophobicContact CB-CD1 3.98Å; A1529-F1576 HydrophobicContact CB-CE1 3.45Å; A1529-F1576 VanDerWaalsContact CB-CE1 3.45Å; A1529-F1576 HydrophobicContact CB-CE2 4.16Å; A1529-F1576 HydrophobicContact CB-CZ 3.54Å; G1532-F1576 WeakPolarHBondContact O-CE2 3.28Å; G1532-F1576 WeakPolarHBondContact O-CZ 3.45Å; Q1533-F1576 WeakPolarHBondContact O-CA 3.07Å; L1534-F1576 HydrophobicContact CB-CD2 4.09Å; F1576-G1578 PolarHBondContact O-N 2.91Å; F1576-E1579 PolarHBondContact N-O 2.84Å; F1576-E1579 PolarHBondContact O-N 2.9Å; F1576-I1581 HydrophobicContact CB-CG2 3.59Å |
| 1577 | G | 83.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 26 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | S1498 Q1533 | S1498-G1577 PolarHBondContact N-O 3Å; S1498-G1577 WeakPolarHBondContact O-CA 3.17Å; S1498-G1577 VanDerWaalsContact OG-CA 3.27Å; S1498-G1577 WeakPolarHBondContact OG-CA 3.45Å; Q1533-G1577 PolarHBondContact O-N 2.88Å |
| 1578 | G | 77.1 | Confident | 84.8 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | -18 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | M1470 R1575 F1576 | M1470-G1578 VanDerWaalsContact O-CA 3.25Å; M1470-G1578 WeakPolarHBondContact O-CA 3.33Å; R1575-G1578 PolarHBondContact NH1-O 2.87Å; F1576-G1578 PolarHBondContact O-N 2.91Å |
| 1579 | E | 81.2 | Confident | 85 | Confident | 95 Ų | 95 | 48 Ų | 48 | 44% | 0.444 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 150.9 | 179.6 | -77.6 | -169.4 | 151.7 | 0 | 0 | 113.2 | S1501 R1575 F1576 | S1501-E1579 PolarHBondContact OG-OE2 2.62Å; R1575-E1579 CarbonylContact C-O 3.48Å; R1575-E1579 WeakPolarHBondContact CA-O 3.08Å; R1575-E1579 WeakPolarHBondContact CB-O 3.48Å; F1576-E1579 PolarHBondContact N-O 2.84Å; F1576-E1579 PolarHBondContact O-N 2.9Å |
| 1580 | L | 82.2 | Confident | 84.8 | Confident | 74 Ų | 74 | 43.9 Ų | 43.9 | 39% | 0.387 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 129.8 | -178.3 | -127 | 156.6 | 0 | 0 | 0 | 111.6 | I1574 R1575 | I1574-L1580 WeakPolarHBondContact O-CD2 3.31Å; R1575-L1580 HydrophobicContact CG-CB 4.41Å; R1575-L1580 HydrophobicContact CG-CG 4.09Å |
| 1581 | I | 87.9 | Confident | 84.1 | Confident | 6 Ų | 6 | 46.2 Ų | 46.2 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 156.8 | -179 | 72.6 | 169.3 | 0 | 0 | 0 | 111.9 | C1504 I1506 V1524 I1574 F1576 N1583 G1584 | C1504-I1581 HydrophobicContact CB-CB 3.98Å; C1504-I1581 HydrophobicContact CB-CD1 4.33Å; C1504-I1581 HydrophobicContact CB-CG2 3.68Å; I1506-I1581 HydrophobicContact CG1-CD1 4.05Å; V1524-I1581 HydrophobicContact CG1-CD1 3.72Å; I1574-I1581 HydrophobicContact CB-CD1 3.93Å; I1574-I1581 HydrophobicContact CB-CG1 4.02Å; I1574-I1581 HydrophobicContact CG2-CD1 3.54Å; I1574-I1581 HydrophobicContact CG2-CG1 3.99Å; I1574-I1581 PolarHBondContact O-N 3.35Å; I1574-I1581 VanDerWaalsContact O-N 3.14Å; F1576-I1581 HydrophobicContact CB-CG2 3.59Å; I1581-N1583 PolarHBondContact O-N 3.11Å; I1581-G1584 PolarHBondContact O-N 2.82Å |
| 1582 | P | 73.8 | Confident | 83.3 | Confident | 59 Ų | 59 | 45 Ų | 45 | 38% | 0.383 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 127.4 | 172.3 | -26.4 | 35.3 | 0 | 0 | 0 | 112.1 | S1501 G1584 | S1501-P1582 VanDerWaalsContact O-CD 3.3Å; S1501-P1582 WeakPolarHBondContact O-CD 3.47Å; P1582-G1584 PolarHBondContact O-N 2.93Å |
| 1583 | N | 78.9 | Confident | 81.4 | Confident | 142 Ų | 142 | 47.5 Ų | 47.5 | 76% | 0.759 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 57.7 | 17.6 | -173.3 | -56 | -28.9 | 0 | 0 | 0 | 115.3 | I1506 I1581 R1585 | I1506-N1583 WeakPolarHBondContact CD1-O 3.46Å; I1581-N1583 PolarHBondContact O-N 3.11Å; N1583-R1585 PolarHBondContact O-N 2.98Å |
| 1584 | G | 79.5 | Confident | 79.6 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 2.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | E1573 I1574 I1581 P1582 | E1573-G1584 CarbonylContact C-O 3.59Å; E1573-G1584 VanDerWaalsContact CA-O 3.27Å; E1573-G1584 WeakPolarHBondContact CA-O 3.43Å; I1574-G1584 PolarHBondContact N-O 2.91Å; I1581-G1584 PolarHBondContact O-N 2.82Å; P1582-G1584 PolarHBondContact O-N 2.93Å |
| 1585 | R | 89.1 | Confident | 77.5 | Confident | 154 Ų | 154 | 62 Ų | 62 | 58% | 0.581 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 113.8 | -175.1 | -165.2 | 175.9 | -154.1 | -149.3 | 10.8 | 112.1 | L1571 V1572 E1573 N1583 | L1571-R1585 HydrophobicContact CD1-CG 3.88Å; V1572-R1585 VanDerWaalsContact O-CA 3.25Å; V1572-R1585 WeakPolarHBondContact O-CA 3.41Å; E1573-R1585 HydrophobicContact CG-CB 4.37Å; E1573-R1585 HydrophobicContact CG-CG 3.74Å; E1573-R1585 IonicContact OE1-CZ 3.31Å; E1573-R1585 IonicContact OE1-NE 3.92Å; E1573-R1585 PolarHBondContact OE1-NE 3.11Å; E1573-R1585 IonicContact OE1-NH2 3.66Å; E1573-R1585 PolarHBondContact OE1-NH2 2.81Å; N1583-R1585 PolarHBondContact O-N 2.98Å |
| 1586 | F | 89.5 | Confident | 75.4 | Confident | 37 Ų | 37 | 63.3 Ų | 63.3 | 16% | 0.162 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 175.7 | -173 | 61.7 | -85.9 | 0 | 0 | 0 | 112.6 | I1506 N1510 I1522 V1572 I1574 Q1588 | I1506-F1586 HydrophobicContact CD1-CD1 4.1Å; I1506-F1586 HydrophobicContact CD1-CE1 3.63Å; N1510-F1586 HydrophobicContact CB-CD2 3.92Å; N1510-F1586 HydrophobicContact CB-CE2 3.6Å; N1510-F1586 HydrophobicContact CB-CZ 4.05Å; I1522-F1586 HydrophobicContact CD1-CE2 4.44Å; I1522-F1586 HydrophobicContact CD1-CZ 3.92Å; I1522-F1586 HydrophobicContact CG1-CZ 4.28Å; I1522-F1586 HydrophobicContact CG2-CZ 4.18Å; V1572-F1586 HydrophobicContact CB-CD1 4.27Å; V1572-F1586 HydrophobicContact CB-CD2 4.29Å; V1572-F1586 HydrophobicContact CB-CE1 3.99Å; V1572-F1586 HydrophobicContact CB-CE2 4.02Å; V1572-F1586 HydrophobicContact CB-CG 4.41Å; V1572-F1586 HydrophobicContact CB-CZ 3.87Å; V1572-F1586 HydrophobicContact CG1-CD1 4.45Å; V1572-F1586 HydrophobicContact CG1-CE1 3.75Å; V1572-F1586 HydrophobicContact CG1-CE2 4.29Å; V1572-F1586 HydrophobicContact CG1-CZ 3.67Å; V1572-F1586 HydrophobicContact CG2-CD2 4.23Å; V1572-F1586 HydrophobicContact CG2-CE2 3.82Å; V1572-F1586 HydrophobicContact CG2-CZ 4.05Å; V1572-F1586 PolarHBondContact N-O 3.34Å; V1572-F1586 PolarHBondContact O-N 3.32Å; I1574-F1586 HydrophobicContact CD1-CE1 3.91Å; I1574-F1586 HydrophobicContact CD1-CZ 4.38Å; F1586-Q1588 HydrophobicContact CD2-CG 4.15Å; F1586-Q1588 HydrophobicContact CE2-CG 4Å |
| 1587 | N | 85.3 | Confident | 72.9 | Confident | 102 Ų | 102 | 72.3 Ų | 72.3 | 55% | 0.545 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 151.3 | -174.2 | -61.5 | -9.3 | 0 | 0 | 0 | 114.4 | Y1570 L1571 | Y1570-N1587 CarbonylContact O-C 3.52Å; Y1570-N1587 WeakPolarHBondContact O-CA 3.28Å; Y1570-N1587 VanDerWaalsContact O-CB 3.3Å; Y1570-N1587 WeakPolarHBondContact O-CB 3.4Å; L1571-N1587 VanDerWaalsContact CD1-OD1 3.26Å; L1571-N1587 WeakPolarHBondContact CD1-OD1 3.4Å |
| 1588 | Q | 86.8 | Confident | 70.5 | Confident | 3 Ų | 3 | 79.2 Ų | 79.2 | 1% | 0.014 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 160.9 | 180 | -55.5 | -173.6 | -98.7 | 0 | 0 | 112.7 | G1509 D1511 I1514 Y1562 D1569 Y1570 F1586 | G1509-Q1588 PolarHBondContact O-NE2 2.88Å; D1511-Q1588 VanDerWaalsContact N-NE2 3.13Å; D1511-Q1588 WeakPolarHBondContact O-CG 3.49Å; D1511-Q1588 PolarHBondContact O-NE2 2.64Å; I1514-Q1588 HydrophobicContact CD1-CB 3.89Å; Y1562-Q1588 PolarHBondContact OH-OE1 2.82Å; D1569-Q1588 CarbonylContact C-O 3.58Å; D1569-Q1588 WeakPolarHBondContact CA-O 3.24Å; Y1570-Q1588 PolarHBondContact N-O 3.04Å; Y1570-Q1588 PolarHBondContact O-N 2.74Å; F1586-Q1588 HydrophobicContact CD2-CG 4.15Å; F1586-Q1588 HydrophobicContact CE2-CG 4Å |
| 1589 | K | 85 | Confident | 68.7 | Low | 84 Ų | 84 | 85.8 Ų | 85.8 | 37% | 0.365 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 132.6 | -168.9 | -162.4 | -169 | -160.1 | 81.3 | 0 | 117 | S1512 R1513 I1514 G1568 D1569 | S1512-K1589 WeakPolarHBondContact O-CB 3.34Å; S1512-K1589 PolarHBondContact O-N 3.12Å; R1513-K1589 VanDerWaalsContact CA-O 3.3Å; R1513-K1589 WeakPolarHBondContact CA-O 3.16Å; I1514-K1589 VanDerWaalsContact CG1-O 3.31Å; I1514-K1589 WeakPolarHBondContact CG1-O 3.37Å; I1514-K1589 PolarHBondContact N-O 2.79Å; G1568-K1589 VanDerWaalsContact O-CA 3.3Å; G1568-K1589 WeakPolarHBondContact O-CA 3.39Å; G1568-K1589 WeakPolarHBondContact O-CG 3.14Å; D1569-K1589 WeakPolarHBondContact OD1-CD 3.24Å; D1569-K1589 WeakPolarHBondContact OD1-CG 3.19Å; D1569-K1589 IonicContact OD1-NZ 3.05Å; D1569-K1589 PolarHBondContact OD1-NZ 3.38Å; D1569-K1589 IonicContact OD2-NZ 2.74Å; D1569-K1589 PolarHBondContact OD2-NZ 3.03Å |
| 1590 | A | 79.9 | Confident | 66.8 | Low | 4 Ų | 4 | 87.5 Ų | 87.5 | 3% | 0.033 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 142.2 | -166.3 | 0 | 0 | 0 | 0 | 0 | 119 | I1514 V1516 P1564 R1567 G1568 Y1570 | I1514-A1590 HydrophobicContact CG1-CB 4.17Å; I1514-A1590 CarbonylContact O-C 3.53Å; I1514-A1590 WeakPolarHBondContact O-CA 3.28Å; V1516-A1590 HydrophobicContact CB-CB 3.75Å; V1516-A1590 HydrophobicContact CG2-CB 3.86Å; P1564-A1590 HydrophobicContact CB-CB 3.77Å; P1564-A1590 HydrophobicContact CG-CB 3.78Å; R1567-A1590 WeakPolarHBondContact CG-O 3.37Å; G1568-A1590 PolarHBondContact O-N 3.08Å; Y1570-A1590 HydrophobicContact CE2-CB 4.24Å |
| 1591 | V | 73 | Confident | 65 | Low | 50 Ų | 50 | 90.6 Ų | 90.6 | 30% | 0.303 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 172.8 | -176 | -62 | 0 | 0 | 0 | 0 | 115.9 | I1514 P1515 V1516 | I1514-V1591 WeakPolarHBondContact O-CG2 3.31Å; I1514-V1591 PolarHBondContact O-N 2.95Å; P1515-V1591 CarbonylContact C-O 3.58Å; P1515-V1591 VanDerWaalsContact CA-O 3.29Å; P1515-V1591 WeakPolarHBondContact CA-O 3.29Å; V1516-V1591 WeakPolarHBondContact CA-O 3.44Å; V1516-V1591 WeakPolarHBondContact CB-O 3.45Å; V1516-V1591 VanDerWaalsContact CG1-O 3.3Å; V1516-V1591 WeakPolarHBondContact CG1-O 3.29Å; V1516-V1591 PolarHBondContact N-O 2.97Å |
| 1592 | S | 72.6 | Confident | 62.7 | Low | 27 Ų | 27 | 97.1 Ų | 97.1 | 19% | 0.189 | 51% | 0.507 | C | S | . | . | trans | -76.3 | 152.8 | -157.4 | 3.5 | 0 | 0 | 0 | 0 | 119.5 | R1567 E1595 | R1567-S1592 VanDerWaalsContact NH2-CB 3.27Å; R1567-S1592 PolarHBondContact NH2-OG 2.82Å; S1592-E1595 WeakPolarHBondContact CB-OE2 2.97Å; S1592-E1595 PolarHBondContact N-OE2 3.4Å; S1592-E1595 PolarHBondContact OG-OE2 2.86Å | ||
| 1593 | P | 49.5 | Very low | 61.1 | Low | 52 Ų | 52 | 100.6 Ų | 100.6 | 34% | 0.338 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -88.1 | -12.1 | 167.2 | -14.8 | 32.2 | 0 | 0 | 0 | 117.4 | V1516 Q1518 E1595 L1596 | V1516-P1593 WeakPolarHBondContact O-CD 3.19Å; V1516-P1593 WeakPolarHBondContact O-CG 3.36Å; Q1518-P1593 HydrophobicContact CG-CG 4.39Å; P1593-E1595 PolarHBondContact O-N 2.99Å; P1593-L1596 HydrophobicContact CB-CD1 4.47Å; P1593-L1596 WeakPolarHBondContact O-CB 3.44Å; P1593-L1596 VanDerWaalsContact O-CD1 3.24Å; P1593-L1596 WeakPolarHBondContact O-CD1 3.47Å; P1593-L1596 PolarHBondContact O-N 2.84Å |
| 1594 | E | 50.2 | Low | 59.2 | Low | 189 Ų | 189 | 103.9 Ų | 103.9 | 88% | 0.883 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -1.3 | 171.3 | -72.3 | -175.4 | 138.3 | 0 | 0 | 112.8 | L1596 | E1594-L1596 PolarHBondContact O-N 3.1Š|
| 1595 | E | 47.9 | Very low | 57.4 | Low | 141 Ų | 141 | 109.8 Ų | 109.8 | 66% | 0.659 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | 20.6 | 164 | -58.9 | 165.4 | 97.4 | 0 | 0 | 109.6 | S1592 P1593 | S1592-E1595 WeakPolarHBondContact CB-OE2 2.97Å; S1592-E1595 PolarHBondContact N-OE2 3.4Å; S1592-E1595 PolarHBondContact OG-OE2 2.86Å; P1593-E1595 PolarHBondContact O-N 2.99Å |
| 1596 | L | 44.6 | Very low | 55 | Low | 104 Ų | 104 | 110.2 Ų | 110.2 | 55% | 0.545 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -152.4 | 177.7 | 178.8 | -56.9 | 93.2 | 0 | 0 | 0 | 116.7 | P1593 E1594 | P1593-L1596 HydrophobicContact CB-CD1 4.47Å; P1593-L1596 WeakPolarHBondContact O-CB 3.44Å; P1593-L1596 VanDerWaalsContact O-CD1 3.24Å; P1593-L1596 WeakPolarHBondContact O-CD1 3.47Å; P1593-L1596 PolarHBondContact O-N 2.84Å; E1594-L1596 PolarHBondContact O-N 3.1Å |
| 1597 | M | 33.3 | Very low | 52.4 | Low | 192 Ų | 192 | 115.8 Ų | 115.8 | 95% | 0.946 | 59% | 0.591 | S | S | * | * | trans | -160.7 | -177.7 | -176.8 | -121.6 | -174.6 | 160.5 | 0 | 0 | 120.7 | ||||
| 1598 | N | 32.7 | Very low | 49.9 | Very low | 145 Ų | 145 | 117.3 Ų | 117.3 | 78% | 0.775 | 60% | 0.603 | S | S | * | * | trans | -112.7 | -159 | -162.7 | -53.5 | 14.8 | 0 | 0 | 0 | 118.5 | ||||
| 1599 | D | 38.8 | Very low | 47.8 | Very low | 140 Ų | 140 | 123.4 Ų | 123.4 | 75% | 0.749 | 64% | 0.641 | S | S | * | * | cis | -164.2 | -170.6 | 9.1 | -138.2 | -69.4 | 0 | 0 | 0 | 116.6 | ||||
| 1600 | V | 42.1 | Very low | 45.4 | Very low | 132 Ų | 132 | 125.8 Ų | 125.8 | 80% | 0.8 | 66% | 0.662 | S | S | * | * | trans | -135.4 | -160.1 | -157.6 | -161.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1601 | T | 45.5 | Very low | 43.5 | Very low | 139 Ų | 139 | 134.3 Ų | 134.3 | 85% | 0.853 | 70% | 0.701 | S | S | * | * | trans | -136.7 | 0 | -141.3 | -9.6 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1602 | D | 38.5 | Very low | 41.9 | Very low | 142 Ų | 142 | 136.7 Ų | 136.7 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | 0 | 0 | 0 | -150 | 20 | 0 | 0 | 0 | 130 | |||||
| 1603 | Q | 40.9 | Very low | 40 | Very low | 132 Ų | 132 | 141.7 Ų | 141.7 | 62% | 0.617 | 75% | 0.749 | S | S | * | * | 0 | 0 | 0 | -71.3 | 167.2 | 57.5 | 0 | 0 | 132 | |||||
| 1604 | R | 39 | Very low | 39.2 | Very low | 211 Ų | 211 | 147.9 Ų | 147.9 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | 0 | 0 | 0 | -89.2 | 173.5 | 177.3 | 164.1 | -11.6 | 116.3 | |||||
| 1605 | V | 41.1 | Very low | 38.5 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 76% | 0.758 | 76% | 0.762 | S | S | * | * | 0 | 0 | 0 | 163.4 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1606 | Q | 38.3 | Very low | 37.6 | Very low | 163 Ų | 163 | 143.3 Ų | 143.3 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | 0 | 0 | 0 | -122.1 | 164.6 | 1.4 | 0 | 0 | 116.6 | |||||
| 1607 | H | 34.7 | Very low | 36.9 | Very low | 155 Ų | 155 | 146.9 Ų | 146.9 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | 0 | 0 | 0 | -110.7 | -43.1 | 0 | 0 | 0 | 115.9 | |||||
| 1608 | V | 34.1 | Very low | 36.8 | Very low | 134 Ų | 134 | 142.3 Ų | 142.3 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | 0 | 0 | 0 | 119.2 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1609 | T | 41.2 | Very low | 36.8 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | 0 | 0 | 0 | -32.7 | 0 | 0 | 0 | 0 | 121 | |||||
| 1610 | V | 34.7 | Very low | 36.5 | Very low | 135 Ų | 135 | 140 Ų | 140 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | 0 | 0 | 0 | -148.8 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 1611 | Q | 40 | Very low | 36.1 | Very low | 183 Ų | 183 | 139.5 Ų | 139.5 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | 0 | 0 | 0 | -145.3 | -172.2 | 14.3 | 0 | 0 | 114.9 | |||||
| 1612 | S | 40.9 | Very low | 35.6 | Very low | 100 Ų | 100 | 138.2 Ų | 138.2 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | 0 | 0 | 0 | 63.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1613 | V | 31.7 | Very low | 35.7 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | 0 | 0 | 0 | -149.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1614 | Q | 32.4 | Very low | 36.4 | Very low | 182 Ų | 182 | 131.6 Ų | 131.6 | 85% | 0.85 | 74% | 0.743 | S | S | * | * | 0 | 0 | 0 | -135.8 | -170.6 | -13.5 | 0 | 0 | 114.2 | |||||
| 1615 | S | 37.1 | Very low | 37.1 | Very low | 91 Ų | 91 | 127.3 Ų | 127.3 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | 0 | 0 | 0 | 44.2 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 1616 | V | 29.2 | Very low | 37.8 | Very low | 144 Ų | 144 | 122.9 Ų | 122.9 | 87% | 0.873 | 70% | 0.699 | S | S | * | * | 0 | 0 | 0 | 171.6 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 1617 | Q | 29.7 | Very low | 38.7 | Very low | 178 Ų | 178 | 118.2 Ų | 118.2 | 83% | 0.832 | 68% | 0.682 | S | S | * | * | 0 | 0 | 0 | -110.8 | -160.3 | 21.5 | 0 | 0 | 113.2 | |||||
| 1618 | S | 29.8 | Very low | 40.2 | Very low | 96 Ų | 96 | 111.1 Ų | 111.1 | 67% | 0.671 | 65% | 0.65 | S | S | * | * | 0 | 0 | 0 | 54.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1619 | S | 33.5 | Very low | 41.8 | Very low | 103 Ų | 103 | 108.2 Ų | 108.2 | 72% | 0.72 | 63% | 0.63 | S | S | * | * | 0 | 0 | 0 | 60.8 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 1620 | T | 31.5 | Very low | 43.1 | Very low | 135 Ų | 135 | 102.4 Ų | 102.4 | 83% | 0.828 | 59% | 0.593 | S | S | * | * | 0 | 0 | 0 | 70.1 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 1621 | V | 34.3 | Very low | 44.9 | Very low | 120 Ų | 120 | 100.1 Ų | 100.1 | 73% | 0.727 | 57% | 0.573 | S | S | * | * | 0 | 148.4 | 0 | 150.7 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 1622 | T | 34.8 | Very low | 46.5 | Very low | 112 Ų | 112 | 91.5 Ų | 91.5 | 69% | 0.687 | 53% | 0.532 | S | S | * | . | trans | 69 | 162.7 | 163.2 | 45.3 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 1623 | T | 40.5 | Very low | 47.6 | Very low | 103 Ų | 103 | 90.9 Ų | 90.9 | 63% | 0.632 | 53% | 0.526 | S | S | * | . | cis | -152.3 | 176.9 | -3.6 | 3 | 0 | 0 | 0 | 0 | 113.5 | D1729 | T1623-D1729 VanDerWaalsContact CA-CG 3.45Å; T1623-D1729 WeakPolarHBondContact CA-OD1 3.41Å; T1623-D1729 WeakPolarHBondContact CA-OD2 3.43Å; T1623-D1729 PolarHBondContact N-OD1 2.69Å | ||
| 1624 | G | 55.4 | Low | 49.2 | Very low | 32 Ų | 32 | 85.7 Ų | 85.7 | 33% | 0.33 | 50% | 0.495 | S | S | . | . | cis | 178.9 | -2.9 | 4.4 | 0 | 0 | 0 | 0 | 0 | 128.9 | V1700 D1729 | G1624-V1700 VanDerWaalsContact C-CB 3.47Å; G1624-V1700 CarbonylContact C-O 3.59Å; G1624-V1700 VanDerWaalsContact O-O 3.04Å; G1624-D1729 PolarHBondContact N-OD2 3.39Å | ||
| 1625 | Y | 54.4 | Low | 50.4 | Low | 121 Ų | 121 | 78.4 Ų | 78.4 | 48% | 0.475 | 47% | 0.468 | S | S | . | . | trans | -171.1 | 149.5 | 156.4 | -134.6 | -88 | 0 | 0 | 0 | 119.5 | A1699 | Y1625-A1699 HydrophobicContact CD2-CB 4.27Å; Y1625-A1699 HydrophobicContact CE2-CB 3.55Å | ||
| 1626 | H | 55.5 | Low | 51.1 | Low | 33 Ų | 33 | 80.1 Ų | 80.1 | 15% | 0.153 | 48% | 0.477 | C | S | . | . | trans | -141.1 | 160.1 | -170.7 | -71.7 | -14.5 | 0 | 0 | 0 | 123.8 | V1700 I1726 R1728 | H1626-V1700 HydrophobicContact CB-CG2 3.85Å; H1626-V1700 VanDerWaalsContact CD2-CG2 3.43Å; H1626-V1700 WeakPolarHBondContact CD2-CG2 3.32Å; H1626-I1726 HydrophobicContact CB-CD1 4.22Å; H1626-R1728 PolarHBondContact CE1-NH1 2.79Å; H1626-R1728 WeakPolarHBondContact NE2-CD 3.25Å; H1626-R1728 PolarHBondContact NE2-NH1 3.19Å | ||
| 1627 | P | 57.2 | Low | 52.2 | Low | 64 Ų | 64 | 77.9 Ų | 77.9 | 42% | 0.416 | 46% | 0.464 | S | S | . | . | trans | -105.3 | 179.2 | 176.5 | 3.7 | 21.4 | 0 | 0 | 0 | 116.5 | ||||
| 1628 | V | 65.8 | Low | 53.1 | Low | 7 Ų | 7 | 72.6 Ų | 72.6 | 4% | 0.042 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 135.4 | -179.3 | -170.5 | 0 | 0 | 0 | 0 | 114.4 | F1630 F1669 P1671 F1695 V1697 Y1708 | V1628-F1630 HydrophobicContact CB-CE2 4.49Å; V1628-F1630 HydrophobicContact CG1-CD2 4.28Å; V1628-F1630 HydrophobicContact CG1-CE2 3.4Å; V1628-F1630 VanDerWaalsContact CG1-CE2 3.4Å; V1628-F1630 HydrophobicContact CG1-CZ 3.53Å; V1628-F1669 PolarHBondContact N-O 3Å; V1628-F1669 CarbonylContact O-C 3.4Å; V1628-F1669 PolarHBondContact O-N 3.17Å; V1628-P1671 HydrophobicContact CB-CG 4.47Å; V1628-P1671 HydrophobicContact CG2-CG 3.87Å; V1628-F1695 HydrophobicContact CB-CE2 4.48Å; V1628-F1695 HydrophobicContact CG1-CD2 4.13Å; V1628-F1695 HydrophobicContact CG1-CE2 4.35Å; V1628-V1697 HydrophobicContact CG2-CG2 4.21Å; V1628-Y1708 HydrophobicContact CG1-CD2 3.67Å; V1628-Y1708 HydrophobicContact CG1-CE2 4.39Å; V1628-Y1708 HydrophobicContact CG1-CG 3.84Å |
| 1629 | D | 69 | Low | 54.3 | Low | 73 Ų | 73 | 72 Ų | 72 | 39% | 0.39 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 148.2 | 176.4 | -75.1 | -6.1 | 0 | 0 | 0 | 112.8 | Q1668 | D1629-Q1668 HydrophobicContact CB-CG 4.5Å; D1629-Q1668 VanDerWaalsContact OD1-CA 3.24Å; D1629-Q1668 WeakPolarHBondContact OD1-CA 3.46Å; D1629-Q1668 WeakPolarHBondContact OD1-CB 3.35Å; D1629-Q1668 WeakPolarHBondContact OD1-CG 3.28Å; D1629-Q1668 PolarHBondContact OD2-NE2 2.81Å |
| 1630 | F | 66.8 | Low | 55.5 | Low | 7 Ų | 7 | 73 Ų | 73 | 3% | 0.031 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 116 | -178.7 | -63.7 | -87.4 | 0 | 0 | 0 | 113.7 | V1628 L1632 T1666 A1667 L1679 F1695 | V1628-F1630 HydrophobicContact CB-CE2 4.49Å; V1628-F1630 HydrophobicContact CG1-CD2 4.28Å; V1628-F1630 HydrophobicContact CG1-CE2 3.4Å; V1628-F1630 VanDerWaalsContact CG1-CE2 3.4Å; V1628-F1630 HydrophobicContact CG1-CZ 3.53Å; F1630-L1632 HydrophobicContact CB-CD1 4.19Å; F1630-L1632 HydrophobicContact CB-CG 4.33Å; F1630-T1666 CarbonylContact O-C 3.57Å; F1630-T1666 VanDerWaalsContact O-CA 3.26Å; F1630-T1666 WeakPolarHBondContact O-CA 3.24Å; F1630-A1667 HydrophobicContact CB-CB 4.44Å; F1630-A1667 PolarHBondContact N-O 3.23Å; F1630-A1667 PolarHBondContact O-N 2.68Å; F1630-L1679 HydrophobicContact CB-CD2 3.92Å; F1630-L1679 HydrophobicContact CD2-CD2 3.67Å; F1630-L1679 HydrophobicContact CE2-CD2 4.37Å; F1630-L1679 HydrophobicContact CG-CD2 3.78Å; F1630-F1695 HydrophobicContact CE1-CB 4.24Å; F1630-F1695 HydrophobicContact CE1-CG 4.47Å; F1630-F1695 HydrophobicContact CE2-CB 4.47Å; F1630-F1695 AromaticContact CE2-CD1 3.72Å; F1630-F1695 HydrophobicContact CE2-CD1 3.72Å; F1630-F1695 HydrophobicContact CE2-CD2 4.11Å; F1630-F1695 AromaticContact CE2-CE1 3.83Å; F1630-F1695 HydrophobicContact CE2-CE1 3.83Å; F1630-F1695 HydrophobicContact CE2-CE2 4.21Å; F1630-F1695 AromaticContact CE2-CG 3.87Å; F1630-F1695 HydrophobicContact CE2-CG 3.87Å; F1630-F1695 HydrophobicContact CE2-CZ 4.07Å; F1630-F1695 HydrophobicContact CZ-CB 3.54Å; F1630-F1695 AromaticContact CZ-CD1 3.54Å; F1630-F1695 HydrophobicContact CZ-CD1 3.54Å; F1630-F1695 AromaticContact CZ-CD2 3.94Å; F1630-F1695 HydrophobicContact CZ-CD2 3.94Å; F1630-F1695 HydrophobicContact CZ-CE1 4.15Å; F1630-F1695 HydrophobicContact CZ-CE2 4.49Å; F1630-F1695 AromaticContact CZ-CG 3.41Å; F1630-F1695 HydrophobicContact CZ-CG 3.41Å; F1630-F1695 VanDerWaalsContact CZ-CG 3.41Å |
| 1631 | K | 72.8 | Confident | 57.3 | Low | 88 Ų | 88 | 68.2 Ų | 68.2 | 38% | 0.383 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 125 | 170.1 | -172.5 | 172.5 | -178.2 | -179 | 0 | 110.6 | N1660 D1662 T1664 | K1631-N1660 WeakPolarHBondContact CE-ND2 3.42Å; K1631-D1662 VanDerWaalsContact CE-OD2 3.27Å; K1631-D1662 WeakPolarHBondContact CE-OD2 3.17Å; K1631-D1662 IonicContact NZ-OD2 2.75Å; K1631-D1662 PolarHBondContact NZ-OD2 2.99Å; K1631-T1664 WeakPolarHBondContact CE-OG1 3.46Å |
| 1632 | L | 73.7 | Confident | 59.4 | Low | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.005 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 132.5 | -166.6 | -66.5 | 168.5 | 0 | 0 | 0 | 112.5 | F1630 V1634 T1664 V1665 L1679 I1681 I1688 F1693 P1710 | F1630-L1632 HydrophobicContact CB-CD1 4.19Å; F1630-L1632 HydrophobicContact CB-CG 4.33Å; L1632-V1634 WeakPolarHBondContact O-CG2 3.11Å; L1632-T1664 CarbonylContact O-C 3.53Å; L1632-T1664 WeakPolarHBondContact O-CA 3.33Å; L1632-T1664 VanDerWaalsContact O-CB 3.26Å; L1632-T1664 WeakPolarHBondContact O-CB 3.5Å; L1632-V1665 PolarHBondContact N-O 2.88Å; L1632-V1665 PolarHBondContact O-N 2.99Å; L1632-L1679 HydrophobicContact CD1-CD2 4.04Å; L1632-I1681 HydrophobicContact CD1-CD1 3.54Å; L1632-I1681 HydrophobicContact CD1-CG1 4.47Å; L1632-I1688 HydrophobicContact CB-CD1 4.42Å; L1632-F1693 HydrophobicContact CD1-CD2 3.8Å; L1632-F1693 HydrophobicContact CD1-CE2 3.75Å; L1632-F1693 HydrophobicContact CD1-CG 4.4Å; L1632-F1693 HydrophobicContact CD1-CZ 4.29Å; L1632-F1693 HydrophobicContact CD2-CD1 4.04Å; L1632-F1693 HydrophobicContact CD2-CD2 4.33Å; L1632-F1693 HydrophobicContact CD2-CE1 3.74Å; L1632-F1693 HydrophobicContact CD2-CE2 4.08Å; L1632-F1693 HydrophobicContact CD2-CG 4.33Å; L1632-F1693 HydrophobicContact CD2-CZ 3.78Å; L1632-F1693 HydrophobicContact CG-CE2 4.48Å; L1632-P1710 HydrophobicContact CD2-CB 4.19Å |
| 1633 | P | 64.3 | Low | 61.4 | Low | 88 Ų | 88 | 63.3 Ų | 63.3 | 57% | 0.571 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 138.9 | -177.6 | 31.9 | -34.7 | 0 | 0 | 0 | 113.2 | T1664 | P1633-T1664 HydrophobicContact CB-CG2 4.26Å |
| 1634 | V | 64.8 | Low | 63.3 | Low | 22 Ų | 22 | 60.5 Ų | 60.5 | 13% | 0.133 | 34% | 0.341 | C | S | . | . | trans | -138.7 | -10 | -173.6 | -120.8 | 0 | 0 | 0 | 0 | 114.9 | L1632 F1638 V1641 G1663 V1665 Y1683 I1688 | L1632-V1634 WeakPolarHBondContact O-CG2 3.11Å; V1634-F1638 HydrophobicContact CB-CE1 3.68Å; V1634-F1638 HydrophobicContact CB-CZ 3.99Å; V1634-F1638 HydrophobicContact CG2-CE1 3.61Å; V1634-F1638 HydrophobicContact CG2-CZ 3.84Å; V1634-V1641 HydrophobicContact CG1-CG2 4.27Å; V1634-G1663 PolarHBondContact N-O 3.07Å; V1634-V1665 HydrophobicContact CG2-CB 3.89Å; V1634-V1665 HydrophobicContact CG2-CG2 3.68Å; V1634-Y1683 HydrophobicContact CG1-CD2 4.24Å; V1634-I1688 HydrophobicContact CG1-CD1 4.28Å; V1634-I1688 HydrophobicContact CG1-CG2 3.68Å | ||
| 1635 | G | 58.8 | Low | 64.6 | Low | 29 Ų | 29 | 59 Ų | 59 | 30% | 0.299 | 33% | 0.326 | S | S | . | . | trans | 99.3 | 172.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | T1637 F1638 G1663 | G1635-T1637 PolarHBondContact O-N 3.14Å; G1635-F1638 WeakPolarHBondContact O-CE2 3.17Å; G1635-F1638 WeakPolarHBondContact O-CZ 3.48Å; G1635-G1663 PolarHBondContact N-O 2.89Å | ||
| 1636 | P | 52.2 | Low | 65.7 | Low | 127 Ų | 127 | 57.9 Ų | 57.9 | 83% | 0.825 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -84.6 | 8.3 | -160.8 | 33.1 | -37.8 | 0 | 0 | 0 | 116.4 | ||
| 1637 | T | 50.3 | Low | 66.8 | Low | 97 Ų | 97 | 56.7 Ų | 56.7 | 60% | 0.595 | 32% | 0.316 | S | S | * | . | trans | -142.4 | 110.9 | -179 | 47.1 | 0 | 0 | 0 | 0 | 112.1 | G1635 Y1683 | G1635-T1637 PolarHBondContact O-N 3.14Å; T1637-Y1683 WeakPolarHBondContact O-CE2 3.28Å; T1637-Y1683 PolarHBondContact O-OH 3.02Å | ||
| 1638 | F | 50.6 | Low | 67.4 | Low | 67 Ų | 67 | 56.6 Ų | 56.6 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | trans | -102.6 | 140.6 | -175.7 | -68.6 | -85.9 | 0 | 0 | 0 | 113.3 | V1634 G1635 V1641 V1665 | V1634-F1638 HydrophobicContact CB-CE1 3.68Å; V1634-F1638 HydrophobicContact CB-CZ 3.99Å; V1634-F1638 HydrophobicContact CG2-CE1 3.61Å; V1634-F1638 HydrophobicContact CG2-CZ 3.84Å; G1635-F1638 WeakPolarHBondContact O-CE2 3.17Å; G1635-F1638 WeakPolarHBondContact O-CZ 3.48Å; F1638-V1641 HydrophobicContact CD1-CG2 3.84Å; F1638-V1641 HydrophobicContact CE1-CG2 4.08Å; F1638-V1665 HydrophobicContact CD1-CG2 4.43Å; F1638-V1665 HydrophobicContact CE1-CG2 3.68Å; F1638-V1665 HydrophobicContact CZ-CG2 4.24Å | ||
| 1639 | S | 53.7 | Low | 67.7 | Low | 83 Ų | 83 | 59.4 Ų | 59.4 | 58% | 0.58 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -150.6 | -37.9 | 167 | 52.6 | 0 | 0 | 0 | 0 | 113.9 | N1684 | S1639-N1684 PolarHBondContact OG-OD1 2.93Š|
| 1640 | H | 59.9 | Low | 67.8 | Low | 124 Ų | 124 | 58.9 Ų | 58.9 | 57% | 0.574 | 35% | 0.347 | S | S | * | . | trans | -142.7 | 112.3 | 172.4 | -70.6 | 85.3 | 0 | 0 | 0 | 110.1 | N1684 | H1640-N1684 PolarHBondContact O-N 2.92Š| ||
| 1641 | V | 68.6 | Low | 68 | Low | 34 Ų | 34 | 65.5 Ų | 65.5 | 21% | 0.206 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 128.1 | 166.1 | 177 | 0 | 0 | 0 | 0 | 107.4 | V1634 F1638 L1657 I1681 T1682 Y1683 | V1634-V1641 HydrophobicContact CG1-CG2 4.27Å; F1638-V1641 HydrophobicContact CD1-CG2 3.84Å; F1638-V1641 HydrophobicContact CE1-CG2 4.08Å; V1641-L1657 HydrophobicContact CG1-CD1 4.07Å; V1641-I1681 HydrophobicContact CG1-CG2 3.74Å; V1641-T1682 VanDerWaalsContact CA-O 3.31Å; V1641-T1682 WeakPolarHBondContact CA-O 3.29Å; V1641-Y1683 HydrophobicContact CG2-CD2 3.82Å |
| 1642 | E | 77.3 | Confident | 68.3 | Low | 125 Ų | 125 | 65.7 Ų | 65.7 | 58% | 0.584 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 143.7 | 178.4 | -67.5 | -170.1 | 169.3 | 0 | 0 | 110.8 | I1681 T1682 | E1642-I1681 WeakPolarHBondContact O-CA 3.49Å; E1642-T1682 PolarHBondContact N-O 2.79Å; E1642-T1682 PolarHBondContact O-N 3.22Å |
| 1643 | G | 77.1 | Confident | 68.4 | Low | 5 Ų | 5 | 68.5 Ų | 68.5 | 5% | 0.052 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 142.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | H1654 P1655 E1680 | G1643-H1654 PolarHBondContact O-ND1 3.13Å; G1643-P1655 WeakPolarHBondContact O-CD 3.5Å; G1643-E1680 CarbonylContact C-O 3.53Å; G1643-E1680 WeakPolarHBondContact CA-O 3.48Å |
| 1644 | L | 82.1 | Confident | 69.1 | Low | 44 Ų | 44 | 71.2 Ų | 71.2 | 23% | 0.23 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 121.8 | -172.7 | -64.6 | 161.7 | 0 | 0 | 0 | 109.3 | I1652 H1654 L1679 E1680 | L1644-I1652 HydrophobicContact CB-CG2 4.4Å; L1644-I1652 HydrophobicContact CD2-CG2 3.6Å; L1644-H1654 WeakPolarHBondContact CD2-CE1 3.46Å; L1644-L1679 CarbonylContact O-C 3.56Å; L1644-L1679 WeakPolarHBondContact O-CA 3.1Å; L1644-E1680 HydrophobicContact CB-CB 4.27Å; L1644-E1680 PolarHBondContact N-O 3.19Å; L1644-E1680 PolarHBondContact O-N 2.81Å |
| 1645 | V | 80.8 | Confident | 69.6 | Low | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.006 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 116.6 | 170.4 | 175 | 0 | 0 | 0 | 0 | 109.4 | L1653 P1655 F1669 H1677 E1678 L1679 F1695 | V1645-L1653 PolarHBondContact N-O 3Å; V1645-L1653 PolarHBondContact O-N 3.02Å; V1645-P1655 HydrophobicContact CG2-CB 3.94Å; V1645-P1655 HydrophobicContact CG2-CG 4.01Å; V1645-F1669 HydrophobicContact CB-CD2 4.18Å; V1645-F1669 HydrophobicContact CB-CE2 4.08Å; V1645-F1669 HydrophobicContact CG1-CD1 4.42Å; V1645-F1669 HydrophobicContact CG1-CD2 4.11Å; V1645-F1669 HydrophobicContact CG1-CE1 4.09Å; V1645-F1669 HydrophobicContact CG1-CE2 3.76Å; V1645-F1669 HydrophobicContact CG1-CG 4.43Å; V1645-F1669 HydrophobicContact CG1-CZ 3.75Å; V1645-F1669 HydrophobicContact CG2-CD2 4.04Å; V1645-F1669 HydrophobicContact CG2-CE2 4.45Å; V1645-F1669 HydrophobicContact CG2-CG 4.31Å; V1645-H1677 HydrophobicContact CG1-CB 4.12Å; V1645-E1678 CarbonylContact C-O 3.53Å; V1645-E1678 VanDerWaalsContact CA-O 3.31Å; V1645-E1678 WeakPolarHBondContact CA-O 3.39Å; V1645-L1679 HydrophobicContact CG2-CB 4.27Å; V1645-L1679 HydrophobicContact CG2-CD1 3.83Å; V1645-F1695 HydrophobicContact CG1-CE1 4.24Å; V1645-F1695 HydrophobicContact CG1-CZ 3.98Å; V1645-F1695 HydrophobicContact CG2-CE1 4.48Å; V1645-F1695 HydrophobicContact CG2-CZ 4.5Å |
| 1646 | R | 78.7 | Confident | 70.3 | Confident | 97 Ų | 97 | 73.2 Ų | 73.2 | 37% | 0.366 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 126.6 | 166.2 | -63.2 | 170.7 | -169.7 | -96.2 | -1.3 | 108.7 | R1651 I1652 H1677 E1678 E1680 | R1646-R1651 CarbonylContact C-O 3.52Å; R1646-R1651 WeakPolarHBondContact CA-O 3.08Å; R1646-I1652 HydrophobicContact CG-CG1 4.26Å; R1646-H1677 CarbonylContact O-C 3.52Å; R1646-H1677 WeakPolarHBondContact O-CA 3.44Å; R1646-E1678 HydrophobicContact CB-CB 4.26Å; R1646-E1678 PolarHBondContact N-O 2.98Å; R1646-E1678 PolarHBondContact O-N 3.44Å; R1646-E1680 IonicContact CZ-OE2 3.61Å; R1646-E1680 IonicContact NE-OE2 2.73Å; R1646-E1680 PolarHBondContact NE-OE2 3.17Å; R1646-E1680 IonicContact NH2-OE2 3.95Å; R1646-E1680 PolarHBondContact NH2-OE2 2.85Å |
| 1647 | T | 78.8 | Confident | 71.5 | Confident | 8 Ų | 8 | 69.8 Ų | 69.8 | 5% | 0.049 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -88.9 | 165.5 | 174.6 | 76.2 | 0 | 0 | 0 | 0 | 111.7 | S1649 G1650 R1651 L1653 F1669 E1673 | T1647-S1649 PolarHBondContact O-N 2.99Å; T1647-S1649 VanDerWaalsContact O-N 3.15Å; T1647-S1649 PolarHBondContact OG1-N 3.43Å; T1647-S1649 PolarHBondContact OG1-OG 2.86Å; T1647-G1650 WeakPolarHBondContact O-CA 3.4Å; T1647-G1650 PolarHBondContact O-N 2.85Å; T1647-R1651 HydrophobicContact CG2-CB 4.25Å; T1647-R1651 PolarHBondContact N-O 3.12Å; T1647-R1651 WeakPolarHBondContact OG1-CB 3.45Å; T1647-R1651 PolarHBondContact OG1-N 2.8Å; T1647-L1653 HydrophobicContact CG2-CD1 3.53Å; T1647-L1653 HydrophobicContact CG2-CG 3.98Å; T1647-F1669 HydrophobicContact CG2-CZ 4.46Å; T1647-E1673 PolarHBondContact OG1-OE2 3.47Å |
| 1648 | P | 69.2 | Low | 72.4 | Confident | 61 Ų | 61 | 68.9 Ų | 68.9 | 40% | 0.396 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -29.5 | 173.7 | -25.7 | 32.1 | 0 | 0 | 0 | 114.2 | G1650 L1676 H1677 | P1648-G1650 PolarHBondContact O-N 3.17Å; P1648-L1676 WeakPolarHBondContact CD-O 3.49Å; P1648-L1676 VanDerWaalsContact CG-O 3.32Å; P1648-L1676 WeakPolarHBondContact CG-O 3.29Å; P1648-H1677 WeakPolarHBondContact CD-CE1 3.34Å |
| 1649 | S | 72.6 | Confident | 73.3 | Confident | 67 Ų | 67 | 70.4 Ų | 70.4 | 47% | 0.469 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 7 | 175.4 | 63.7 | 0 | 0 | 0 | 0 | 114.1 | T1647 R1651 E1673 | T1647-S1649 PolarHBondContact O-N 2.99Å; T1647-S1649 VanDerWaalsContact O-N 3.15Å; T1647-S1649 PolarHBondContact OG1-N 3.43Å; T1647-S1649 PolarHBondContact OG1-OG 2.86Å; S1649-R1651 VanDerWaalsContact C-N 3.26Å; S1649-R1651 PolarHBondContact O-N 2.81Å; S1649-R1651 WeakPolarHBondContact OG-CD 3.36Å; S1649-R1651 WeakPolarHBondContact OG-CG 2.84Å; S1649-E1673 VanDerWaalsContact CB-OE2 3.27Å; S1649-E1673 WeakPolarHBondContact CB-OE2 3.43Å; S1649-E1673 PolarHBondContact OG-OE1 2.73Å; S1649-E1673 PolarHBondContact OG-OE2 3.5Å |
| 1650 | G | 71.5 | Confident | 73.9 | Confident | 62 Ų | 62 | 69.1 Ų | 69.1 | 64% | 0.639 | 37% | 0.366 | S | S | * | . | S | Bend | trans | 75 | 11.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1647 P1648 | T1647-G1650 WeakPolarHBondContact O-CA 3.4Å; T1647-G1650 PolarHBondContact O-N 2.85Å; P1648-G1650 PolarHBondContact O-N 3.17Å |
| 1651 | R | 71 | Confident | 73.8 | Confident | 146 Ų | 146 | 66.6 Ų | 66.6 | 55% | 0.551 | 37% | 0.373 | S | S | * | . | trans | -76.4 | 134.4 | 176.2 | -64.3 | 171 | 162.9 | 165.7 | -9 | 109.4 | R1646 T1647 S1649 E1673 | R1646-R1651 CarbonylContact C-O 3.52Å; R1646-R1651 WeakPolarHBondContact CA-O 3.08Å; T1647-R1651 HydrophobicContact CG2-CB 4.25Å; T1647-R1651 PolarHBondContact N-O 3.12Å; T1647-R1651 WeakPolarHBondContact OG1-CB 3.45Å; T1647-R1651 PolarHBondContact OG1-N 2.8Å; S1649-R1651 VanDerWaalsContact C-N 3.26Å; S1649-R1651 PolarHBondContact O-N 2.81Å; S1649-R1651 WeakPolarHBondContact OG-CD 3.36Å; S1649-R1651 WeakPolarHBondContact OG-CG 2.84Å; R1651-E1673 IonicContact CZ-OE1 3.24Å; R1651-E1673 IonicContact NH1-OE1 3.86Å; R1651-E1673 PolarHBondContact NH1-OE1 2.87Å | ||
| 1652 | I | 78.1 | Confident | 73.3 | Confident | 92 Ų | 92 | 69.2 Ų | 69.2 | 47% | 0.472 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 117.6 | 168.3 | -61 | 175.8 | 0 | 0 | 0 | 107.1 | L1644 R1646 | L1644-I1652 HydrophobicContact CB-CG2 4.4Å; L1644-I1652 HydrophobicContact CD2-CG2 3.6Å; R1646-I1652 HydrophobicContact CG-CG1 4.26Å |
| 1653 | L | 76.8 | Confident | 72.4 | Confident | 59 Ų | 59 | 63.9 Ų | 63.9 | 31% | 0.309 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 152.7 | 173.6 | -60.8 | 179.2 | 0 | 0 | 0 | 108.6 | V1645 T1647 F1669 | V1645-L1653 PolarHBondContact N-O 3Å; V1645-L1653 PolarHBondContact O-N 3.02Å; T1647-L1653 HydrophobicContact CG2-CD1 3.53Å; T1647-L1653 HydrophobicContact CG2-CG 3.98Å; L1653-F1669 HydrophobicContact CB-CE2 4.25Å; L1653-F1669 HydrophobicContact CD1-CE2 3.8Å; L1653-F1669 HydrophobicContact CD1-CZ 4.08Å |
| 1654 | H | 77.5 | Confident | 72 | Confident | 145 Ų | 145 | 64.8 Ų | 64.8 | 67% | 0.671 | 37% | 0.369 | S | S | * | . | trans | -96 | 124.2 | 170.9 | -68.5 | -80.2 | 0 | 0 | 0 | 109.3 | G1643 L1644 | G1643-H1654 PolarHBondContact O-ND1 3.13Å; L1644-H1654 WeakPolarHBondContact CD2-CE1 3.46Å | ||
| 1655 | P | 75.7 | Confident | 71.7 | Confident | 11 Ų | 11 | 63 Ų | 63 | 7% | 0.071 | 36% | 0.36 | C | S | . | . | trans | -70.1 | 160.1 | 168.7 | 34.2 | -35.2 | 0 | 0 | 0 | 109.5 | G1643 V1645 L1657 A1667 Q1668 L1679 | G1643-P1655 WeakPolarHBondContact O-CD 3.5Å; V1645-P1655 HydrophobicContact CG2-CB 3.94Å; V1645-P1655 HydrophobicContact CG2-CG 4.01Å; P1655-L1657 HydrophobicContact CG-CD2 4.18Å; P1655-L1657 PolarHBondContact O-N 3.28Å; P1655-A1667 HydrophobicContact CB-CB 4.19Å; P1655-A1667 HydrophobicContact CG-CB 4.28Å; P1655-Q1668 WeakPolarHBondContact CA-O 3.49Å; P1655-L1679 HydrophobicContact CG-CD1 3.79Å | ||
| 1656 | T | 73.9 | Confident | 71.5 | Confident | 83 Ų | 83 | 64 Ų | 64 | 51% | 0.509 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 108 | 173.7 | -52.5 | 0 | 0 | 0 | 0 | 108.5 | A1667 Q1668 | T1656-A1667 WeakPolarHBondContact O-CA 3.07Å; T1656-Q1668 PolarHBondContact N-O 2.86Å; T1656-Q1668 PolarHBondContact O-N 2.84Å |
| 1657 | L | 76.9 | Confident | 71.4 | Confident | 55 Ų | 55 | 59.4 Ų | 59.4 | 29% | 0.288 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 130 | 174 | -63.7 | -169.9 | 0 | 0 | 0 | 111.1 | V1641 P1655 V1665 T1666 A1667 I1681 | V1641-L1657 HydrophobicContact CG1-CD1 4.07Å; P1655-L1657 HydrophobicContact CG-CD2 4.18Å; P1655-L1657 PolarHBondContact O-N 3.28Å; L1657-V1665 HydrophobicContact CB-CG1 4.11Å; L1657-V1665 HydrophobicContact CD2-CG1 4.01Å; L1657-V1665 HydrophobicContact CG-CG1 4.44Å; L1657-T1666 CarbonylContact C-O 3.58Å; L1657-T1666 WeakPolarHBondContact CA-O 3.3Å; L1657-A1667 HydrophobicContact CD2-CB 3.55Å; L1657-I1681 HydrophobicContact CD2-CD1 4.09Å |
| 1658 | L | 69.6 | Low | 71.2 | Confident | 78 Ų | 78 | 62.5 Ų | 62.5 | 41% | 0.408 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 118.5 | 175.7 | -63.6 | 169.2 | 0 | 0 | 0 | 108.6 | N1660 V1665 T1666 Q1668 | L1658-N1660 PolarHBondContact O-N 2.9Å; L1658-V1665 CarbonylContact O-C 3.5Å; L1658-V1665 VanDerWaalsContact O-CA 3.3Å; L1658-V1665 WeakPolarHBondContact O-CA 3.44Å; L1658-T1666 PolarHBondContact N-O 3.11Å; L1658-T1666 PolarHBondContact O-N 2.95Å; L1658-Q1668 HydrophobicContact CD1-CG 4.32Å |
| 1659 | D | 69.7 | Low | 71.6 | Confident | 98 Ų | 98 | 60.3 Ų | 60.3 | 52% | 0.524 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 120.6 | 168.7 | -176.5 | -12.1 | 0 | 0 | 0 | 108.7 | G1661 | D1659-G1661 PolarHBondContact OD1-N 3Å |
| 1660 | N | 66.6 | Low | 71.9 | Confident | 57 Ų | 57 | 62.8 Ų | 62.8 | 31% | 0.305 | 35% | 0.351 | S | S | . | . | trans | -87.8 | -5.8 | -176.8 | -56.4 | -50.8 | 0 | 0 | 0 | 112.6 | K1631 L1658 D1662 T1664 V1665 T1666 | K1631-N1660 WeakPolarHBondContact CE-ND2 3.42Å; L1658-N1660 PolarHBondContact O-N 2.9Å; N1660-D1662 WeakPolarHBondContact CB-OD1 3.21Å; N1660-D1662 PolarHBondContact O-N 2.74Å; N1660-D1662 VanDerWaalsContact O-N 3.11Å; N1660-T1664 WeakPolarHBondContact CB-O 3.36Å; N1660-T1664 PolarHBondContact N-O 2.77Å; N1660-T1664 VanDerWaalsContact N-O 3.1Å; N1660-T1664 PolarHBondContact ND2-O 3.38Å; N1660-T1664 PolarHBondContact ND2-OG1 2.83Å; N1660-V1665 VanDerWaalsContact ND2-C 3.34Å; N1660-T1666 VanDerWaalsContact CG-OG1 3.27Å; N1660-T1666 PolarHBondContact ND2-N 3.06Å; N1660-T1666 PolarHBondContact ND2-OG1 2.8Å; N1660-T1666 PolarHBondContact OD1-OG1 3.01Å | ||
| 1661 | G | 57.2 | Low | 71.6 | Confident | 70 Ų | 70 | 60.1 Ų | 60.1 | 72% | 0.722 | 32% | 0.323 | S | S | * | . | S | Bend | trans | 71.1 | -2.8 | 179 | 0 | 0 | 0 | 0 | 0 | 115.9 | D1659 | D1659-G1661 PolarHBondContact OD1-N 3Š|
| 1662 | D | 59.5 | Low | 71.6 | Confident | 89 Ų | 89 | 58.3 Ų | 58.3 | 48% | 0.476 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -100.5 | 4.6 | -177.8 | 63.9 | 1.6 | 0 | 0 | 0 | 113.7 | K1631 N1660 T1664 | K1631-D1662 VanDerWaalsContact CE-OD2 3.27Å; K1631-D1662 WeakPolarHBondContact CE-OD2 3.17Å; K1631-D1662 IonicContact NZ-OD2 2.75Å; K1631-D1662 PolarHBondContact NZ-OD2 2.99Å; N1660-D1662 WeakPolarHBondContact CB-OD1 3.21Å; N1660-D1662 PolarHBondContact O-N 2.74Å; N1660-D1662 VanDerWaalsContact O-N 3.11Å; D1662-T1664 WeakPolarHBondContact OD1-CA 3.49Å; D1662-T1664 VanDerWaalsContact OD1-CB 3.26Å; D1662-T1664 WeakPolarHBondContact OD1-CB 3.48Å; D1662-T1664 WeakPolarHBondContact OD1-CG2 3.39Å; D1662-T1664 PolarHBondContact OD1-N 2.58Å; D1662-T1664 PolarHBondContact OD1-OG1 3.09Å; D1662-T1664 PolarHBondContact OD2-OG1 2.79Å |
| 1663 | G | 57.7 | Low | 70.9 | Confident | 14 Ų | 14 | 55.5 Ų | 55.5 | 14% | 0.144 | 31% | 0.309 | C | S | . | . | S | Bend | trans | 95.6 | 6.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | V1634 G1635 | V1634-G1663 PolarHBondContact N-O 3.07Å; G1635-G1663 PolarHBondContact N-O 2.89Å |
| 1664 | T | 68 | Low | 70.2 | Confident | 24 Ų | 24 | 56.9 Ų | 56.9 | 15% | 0.147 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 161 | 177.2 | 77.5 | 0 | 0 | 0 | 0 | 112.4 | K1631 L1632 P1633 N1660 D1662 | K1631-T1664 WeakPolarHBondContact CE-OG1 3.46Å; L1632-T1664 CarbonylContact O-C 3.53Å; L1632-T1664 WeakPolarHBondContact O-CA 3.33Å; L1632-T1664 VanDerWaalsContact O-CB 3.26Å; L1632-T1664 WeakPolarHBondContact O-CB 3.5Å; P1633-T1664 HydrophobicContact CB-CG2 4.26Å; N1660-T1664 WeakPolarHBondContact CB-O 3.36Å; N1660-T1664 PolarHBondContact N-O 2.77Å; N1660-T1664 VanDerWaalsContact N-O 3.1Å; N1660-T1664 PolarHBondContact ND2-O 3.38Å; N1660-T1664 PolarHBondContact ND2-OG1 2.83Å; D1662-T1664 WeakPolarHBondContact OD1-CA 3.49Å; D1662-T1664 VanDerWaalsContact OD1-CB 3.26Å; D1662-T1664 WeakPolarHBondContact OD1-CB 3.48Å; D1662-T1664 WeakPolarHBondContact OD1-CG2 3.39Å; D1662-T1664 PolarHBondContact OD1-N 2.58Å; D1662-T1664 PolarHBondContact OD1-OG1 3.09Å; D1662-T1664 PolarHBondContact OD2-OG1 2.79Å |
| 1665 | V | 75.8 | Confident | 69.6 | Low | 6 Ų | 6 | 50.2 Ų | 50.2 | 4% | 0.036 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 138.4 | 173.7 | 167.3 | 0 | 0 | 0 | 0 | 109.2 | L1632 V1634 F1638 L1657 L1658 N1660 | L1632-V1665 PolarHBondContact N-O 2.88Å; L1632-V1665 PolarHBondContact O-N 2.99Å; V1634-V1665 HydrophobicContact CG2-CB 3.89Å; V1634-V1665 HydrophobicContact CG2-CG2 3.68Å; F1638-V1665 HydrophobicContact CD1-CG2 4.43Å; F1638-V1665 HydrophobicContact CE1-CG2 3.68Å; F1638-V1665 HydrophobicContact CZ-CG2 4.24Å; L1657-V1665 HydrophobicContact CB-CG1 4.11Å; L1657-V1665 HydrophobicContact CD2-CG1 4.01Å; L1657-V1665 HydrophobicContact CG-CG1 4.44Å; L1658-V1665 CarbonylContact O-C 3.5Å; L1658-V1665 VanDerWaalsContact O-CA 3.3Å; L1658-V1665 WeakPolarHBondContact O-CA 3.44Å; N1660-V1665 VanDerWaalsContact ND2-C 3.34Å |
| 1666 | T | 77.7 | Confident | 69.7 | Low | 21 Ų | 21 | 53.5 Ų | 53.5 | 13% | 0.129 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 129.4 | 173.6 | -54.8 | 0 | 0 | 0 | 0 | 110.5 | F1630 L1657 L1658 N1660 Q1668 | F1630-T1666 CarbonylContact O-C 3.57Å; F1630-T1666 VanDerWaalsContact O-CA 3.26Å; F1630-T1666 WeakPolarHBondContact O-CA 3.24Å; L1657-T1666 CarbonylContact C-O 3.58Å; L1657-T1666 WeakPolarHBondContact CA-O 3.3Å; L1658-T1666 PolarHBondContact N-O 3.11Å; L1658-T1666 PolarHBondContact O-N 2.95Å; N1660-T1666 VanDerWaalsContact CG-OG1 3.27Å; N1660-T1666 PolarHBondContact ND2-N 3.06Å; N1660-T1666 PolarHBondContact ND2-OG1 2.8Å; N1660-T1666 PolarHBondContact OD1-OG1 3.01Å; T1666-Q1668 HydrophobicContact CG2-CG 4.19Å |
| 1667 | A | 75.1 | Confident | 69.9 | Low | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 108.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | F1630 P1655 T1656 L1657 L1679 I1681 | F1630-A1667 HydrophobicContact CB-CB 4.44Å; F1630-A1667 PolarHBondContact N-O 3.23Å; F1630-A1667 PolarHBondContact O-N 2.68Å; P1655-A1667 HydrophobicContact CB-CB 4.19Å; P1655-A1667 HydrophobicContact CG-CB 4.28Å; T1656-A1667 WeakPolarHBondContact O-CA 3.07Å; L1657-A1667 HydrophobicContact CD2-CB 3.55Å; A1667-L1679 HydrophobicContact CB-CD1 4.28Å; A1667-L1679 HydrophobicContact CB-CD2 3.92Å; A1667-I1681 HydrophobicContact CB-CD1 4.16Å |
| 1668 | Q | 75.3 | Confident | 70 | Confident | 73 Ų | 73 | 49.1 Ų | 49.1 | 34% | 0.341 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 137.2 | -179.3 | -55.3 | -166.9 | -70.2 | 0 | 0 | 112.2 | D1629 P1655 T1656 L1658 T1666 | D1629-Q1668 HydrophobicContact CB-CG 4.5Å; D1629-Q1668 VanDerWaalsContact OD1-CA 3.24Å; D1629-Q1668 WeakPolarHBondContact OD1-CA 3.46Å; D1629-Q1668 WeakPolarHBondContact OD1-CB 3.35Å; D1629-Q1668 WeakPolarHBondContact OD1-CG 3.28Å; D1629-Q1668 PolarHBondContact OD2-NE2 2.81Å; P1655-Q1668 WeakPolarHBondContact CA-O 3.49Å; T1656-Q1668 PolarHBondContact N-O 2.86Å; T1656-Q1668 PolarHBondContact O-N 2.84Å; L1658-Q1668 HydrophobicContact CD1-CG 4.32Å; T1666-Q1668 HydrophobicContact CG2-CG 4.19Å |
| 1669 | F | 77.3 | Confident | 70.6 | Confident | 15 Ų | 15 | 45.4 Ų | 45.4 | 7% | 0.066 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 107.4 | -177.6 | -176.3 | -102.7 | 0 | 0 | 0 | 113.2 | V1628 V1645 T1647 L1653 P1671 H1677 F1695 | V1628-F1669 PolarHBondContact N-O 3Å; V1628-F1669 CarbonylContact O-C 3.4Å; V1628-F1669 PolarHBondContact O-N 3.17Å; V1645-F1669 HydrophobicContact CB-CD2 4.18Å; V1645-F1669 HydrophobicContact CB-CE2 4.08Å; V1645-F1669 HydrophobicContact CG1-CD1 4.42Å; V1645-F1669 HydrophobicContact CG1-CD2 4.11Å; V1645-F1669 HydrophobicContact CG1-CE1 4.09Å; V1645-F1669 HydrophobicContact CG1-CE2 3.76Å; V1645-F1669 HydrophobicContact CG1-CG 4.43Å; V1645-F1669 HydrophobicContact CG1-CZ 3.75Å; V1645-F1669 HydrophobicContact CG2-CD2 4.04Å; V1645-F1669 HydrophobicContact CG2-CE2 4.45Å; V1645-F1669 HydrophobicContact CG2-CG 4.31Å; T1647-F1669 HydrophobicContact CG2-CZ 4.46Å; L1653-F1669 HydrophobicContact CB-CE2 4.25Å; L1653-F1669 HydrophobicContact CD1-CE2 3.8Å; L1653-F1669 HydrophobicContact CD1-CZ 4.08Å; F1669-P1671 HydrophobicContact CD1-CB 4.23Å; F1669-P1671 HydrophobicContact CD1-CG 3.88Å; F1669-P1671 HydrophobicContact CE1-CB 3.78Å; F1669-P1671 HydrophobicContact CE1-CG 3.96Å; F1669-P1671 WeakPolarHBondContact O-CD 3.38Å; F1669-H1677 AromaticContact CE1-CD2 3.46Å; F1669-H1677 VanDerWaalsContact CE1-CD2 3.46Å; F1669-H1677 WeakPolarHBondContact CE1-CD2 3.21Å; F1669-H1677 AromaticContact CE1-NE2 3.65Å; F1669-H1677 AromaticContact CZ-CD2 3.64Å; F1669-H1677 AromaticContact CZ-NE2 3.82Å; F1669-F1695 AromaticContact CD1-CE2 3.71Å; F1669-F1695 HydrophobicContact CD1-CE2 3.71Å; F1669-F1695 AromaticContact CD1-CZ 3.55Å; F1669-F1695 HydrophobicContact CD1-CZ 3.55Å; F1669-F1695 HydrophobicContact CE1-CE2 4.08Å; F1669-F1695 AromaticContact CE1-CZ 3.96Å; F1669-F1695 HydrophobicContact CE1-CZ 3.96Å; F1669-F1695 HydrophobicContact CG-CZ 4.23Å |
| 1670 | Q | 78.6 | Confident | 71.1 | Confident | 119 Ų | 119 | 43.1 Ų | 43.1 | 56% | 0.556 | 25% | 0.247 | S | C | * | . | trans | -79.3 | 111.7 | 168.7 | 174.9 | 60 | 74.3 | 0 | 0 | 109.9 | ||||
| 1671 | P | 66.8 | Low | 71.7 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 4% | 0.039 | 23% | 0.233 | C | C | . | . | trans | -81.9 | 157.4 | -178.4 | -8.5 | 28.5 | 0 | 0 | 0 | 111.5 | V1628 F1669 V1697 | V1628-P1671 HydrophobicContact CB-CG 4.47Å; V1628-P1671 HydrophobicContact CG2-CG 3.87Å; F1669-P1671 HydrophobicContact CD1-CB 4.23Å; F1669-P1671 HydrophobicContact CD1-CG 3.88Å; F1669-P1671 HydrophobicContact CE1-CB 3.78Å; F1669-P1671 HydrophobicContact CE1-CG 3.96Å; F1669-P1671 WeakPolarHBondContact O-CD 3.38Å; P1671-V1697 HydrophobicContact CB-CB 4.06Å; P1671-V1697 HydrophobicContact CB-CG1 3.73Å; P1671-V1697 HydrophobicContact CB-CG2 3.77Å; P1671-V1697 HydrophobicContact CG-CB 4.23Å; P1671-V1697 HydrophobicContact CG-CG1 3.8Å; P1671-V1697 HydrophobicContact CG-CG2 3.58Å | ||
| 1672 | N | 70.2 | Confident | 72.5 | Confident | 108 Ų | 108 | 38.4 Ų | 38.4 | 58% | 0.578 | 21% | 0.207 | S | C | * | . | trans | -142.4 | -2 | -175.9 | 58.2 | 2.2 | 0 | 0 | 0 | 113.8 | ||||
| 1673 | E | 63.5 | Low | 73.1 | Confident | 34 Ų | 34 | 37.2 Ų | 37.2 | 16% | 0.159 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -131.8 | 132.8 | 178.9 | -68.6 | 173.4 | -170 | 0 | 0 | 107.1 | T1647 S1649 R1651 H1677 | T1647-E1673 PolarHBondContact OG1-OE2 3.47Å; S1649-E1673 VanDerWaalsContact CB-OE2 3.27Å; S1649-E1673 WeakPolarHBondContact CB-OE2 3.43Å; S1649-E1673 PolarHBondContact OG-OE1 2.73Å; S1649-E1673 PolarHBondContact OG-OE2 3.5Å; R1651-E1673 IonicContact CZ-OE1 3.24Å; R1651-E1673 IonicContact NH1-OE1 3.86Å; R1651-E1673 PolarHBondContact NH1-OE1 2.87Å; E1673-H1677 PolarHBondContact O-CE1 2.78Å |
| 1674 | P | 61.2 | Low | 73.6 | Confident | 87 Ų | 87 | 40.5 Ų | 40.5 | 57% | 0.565 | 21% | 0.21 | S | C | * | . | trans | -76.7 | 143 | 176 | 31 | -33.8 | 0 | 0 | 0 | 111.2 | V1697 | P1674-V1697 CarbonylContact C-O 3.54Å; P1674-V1697 VanDerWaalsContact CA-O 3.25Å; P1674-V1697 WeakPolarHBondContact CA-O 3.21Å | ||
| 1675 | G | 64.9 | Low | 73.5 | Confident | 6 Ų | 6 | 42 Ų | 42 | 6% | 0.062 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 130.1 | -173.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | H1677 V1697 | G1675-H1677 PolarHBondContact O-ND1 2.83Å; G1675-V1697 PolarHBondContact N-O 2.9Å; G1675-V1697 PolarHBondContact O-N 3.33Å; G1675-V1697 VanDerWaalsContact O-N 3.14Å |
| 1676 | L | 77.6 | Confident | 72.9 | Confident | 79 Ų | 79 | 48.6 Ų | 48.6 | 41% | 0.414 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 124.5 | 179.5 | -176.7 | 68.1 | 0 | 0 | 0 | 112.5 | P1648 R1694 Y1696 | P1648-L1676 WeakPolarHBondContact CD-O 3.49Å; P1648-L1676 VanDerWaalsContact CG-O 3.32Å; P1648-L1676 WeakPolarHBondContact CG-O 3.29Å; L1676-R1694 HydrophobicContact CD1-CB 4.17Å; L1676-Y1696 HydrophobicContact CB-CD2 3.77Å; L1676-Y1696 HydrophobicContact CB-CE2 3.85Å; L1676-Y1696 HydrophobicContact CD1-CD2 4.17Å |
| 1677 | H | 79.3 | Confident | 72.5 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 149.2 | 171.5 | -66.4 | 70.5 | 0 | 0 | 0 | 110.4 | V1645 R1646 P1648 F1669 E1673 G1675 F1695 | V1645-H1677 HydrophobicContact CG1-CB 4.12Å; R1646-H1677 CarbonylContact O-C 3.52Å; R1646-H1677 WeakPolarHBondContact O-CA 3.44Å; P1648-H1677 WeakPolarHBondContact CD-CE1 3.34Å; F1669-H1677 AromaticContact CE1-CD2 3.46Å; F1669-H1677 VanDerWaalsContact CE1-CD2 3.46Å; F1669-H1677 WeakPolarHBondContact CE1-CD2 3.21Å; F1669-H1677 AromaticContact CE1-NE2 3.65Å; F1669-H1677 AromaticContact CZ-CD2 3.64Å; F1669-H1677 AromaticContact CZ-NE2 3.82Å; E1673-H1677 PolarHBondContact O-CE1 2.78Å; G1675-H1677 PolarHBondContact O-ND1 2.83Å; H1677-F1695 HydrophobicContact CB-CD1 3.92Å; H1677-F1695 HydrophobicContact CB-CD2 4.06Å; H1677-F1695 HydrophobicContact CB-CE1 3.51Å; H1677-F1695 HydrophobicContact CB-CE2 3.67Å; H1677-F1695 HydrophobicContact CB-CG 4.18Å; H1677-F1695 HydrophobicContact CB-CZ 3.39Å; H1677-F1695 AromaticContact CG-CE2 3.97Å; H1677-F1695 AromaticContact CG-CZ 3.96Å; H1677-F1695 PolarHBondContact N-O 3.19Å; H1677-F1695 PolarHBondContact O-N 3.29Å |
| 1678 | E | 78.9 | Confident | 72.3 | Confident | 46 Ų | 46 | 51.7 Ų | 51.7 | 22% | 0.215 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 115.4 | 176.3 | -49.6 | -169.2 | 119.2 | 0 | 0 | 110.7 | V1645 R1646 P1692 R1694 | V1645-E1678 CarbonylContact C-O 3.53Å; V1645-E1678 VanDerWaalsContact CA-O 3.31Å; V1645-E1678 WeakPolarHBondContact CA-O 3.39Å; R1646-E1678 HydrophobicContact CB-CB 4.26Å; R1646-E1678 PolarHBondContact N-O 2.98Å; R1646-E1678 PolarHBondContact O-N 3.44Å; E1678-P1692 HydrophobicContact CB-CB 4.45Å; E1678-R1694 HydrophobicContact CG-CG 4.25Å; E1678-R1694 IonicContact OE1-CZ 3.82Å; E1678-R1694 IonicContact OE1-NE 2.72Å; E1678-R1694 PolarHBondContact OE1-NE 2.83Å; E1678-R1694 IonicContact OE1-NH2 3.72Å; E1678-R1694 PolarHBondContact OE1-NH2 3.31Å |
| 1679 | L | 82.8 | Confident | 71.5 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 98.5 | 175.5 | 170.7 | 59.1 | 0 | 0 | 0 | 110.4 | F1630 L1632 L1644 V1645 P1655 A1667 I1681 P1692 F1693 F1695 | F1630-L1679 HydrophobicContact CB-CD2 3.92Å; F1630-L1679 HydrophobicContact CD2-CD2 3.67Å; F1630-L1679 HydrophobicContact CE2-CD2 4.37Å; F1630-L1679 HydrophobicContact CG-CD2 3.78Å; L1632-L1679 HydrophobicContact CD1-CD2 4.04Å; L1644-L1679 CarbonylContact O-C 3.56Å; L1644-L1679 WeakPolarHBondContact O-CA 3.1Å; V1645-L1679 HydrophobicContact CG2-CB 4.27Å; V1645-L1679 HydrophobicContact CG2-CD1 3.83Å; P1655-L1679 HydrophobicContact CG-CD1 3.79Å; A1667-L1679 HydrophobicContact CB-CD1 4.28Å; A1667-L1679 HydrophobicContact CB-CD2 3.92Å; L1679-I1681 HydrophobicContact CD1-CD1 4.13Å; L1679-I1681 HydrophobicContact CD1-CG1 3.84Å; L1679-I1681 HydrophobicContact CD2-CD1 4.4Å; L1679-I1681 HydrophobicContact CG-CD1 4.32Å; L1679-I1681 HydrophobicContact CG-CG1 4.09Å; L1679-P1692 CarbonylContact O-C 3.56Å; L1679-P1692 VanDerWaalsContact O-CA 3.3Å; L1679-P1692 WeakPolarHBondContact O-CA 3.35Å; L1679-F1693 HydrophobicContact CB-CB 4.3Å; L1679-F1693 HydrophobicContact CG-CD2 4.46Å; L1679-F1693 PolarHBondContact N-O 2.8Å; L1679-F1693 WeakPolarHBondContact O-CD2 3.41Å; L1679-F1693 PolarHBondContact O-N 2.98Å; L1679-F1695 HydrophobicContact CB-CD1 4.49Å; L1679-F1695 HydrophobicContact CB-CE1 4.08Å |
| 1680 | E | 79.7 | Confident | 70.4 | Confident | 50 Ų | 50 | 55.1 Ų | 55.1 | 23% | 0.234 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 123.8 | 172.7 | -169.1 | 174 | -179.2 | 0 | 0 | 109.2 | G1643 L1644 R1646 S1691 P1692 | G1643-E1680 CarbonylContact C-O 3.53Å; G1643-E1680 WeakPolarHBondContact CA-O 3.48Å; L1644-E1680 HydrophobicContact CB-CB 4.27Å; L1644-E1680 PolarHBondContact N-O 3.19Å; L1644-E1680 PolarHBondContact O-N 2.81Å; R1646-E1680 IonicContact CZ-OE2 3.61Å; R1646-E1680 IonicContact NE-OE2 2.73Å; R1646-E1680 PolarHBondContact NE-OE2 3.17Å; R1646-E1680 IonicContact NH2-OE2 3.95Å; R1646-E1680 PolarHBondContact NH2-OE2 2.85Å; E1680-S1691 WeakPolarHBondContact CA-OG 3.28Å; E1680-P1692 HydrophobicContact CB-CB 4.01Å; E1680-P1692 HydrophobicContact CG-CB 4.44Å |
| 1681 | I | 79.6 | Confident | 70 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 131.5 | 173 | -61 | -166.6 | 0 | 0 | 0 | 110.3 | L1632 V1641 E1642 L1657 A1667 L1679 I1688 S1691 | L1632-I1681 HydrophobicContact CD1-CD1 3.54Å; L1632-I1681 HydrophobicContact CD1-CG1 4.47Å; V1641-I1681 HydrophobicContact CG1-CG2 3.74Å; E1642-I1681 WeakPolarHBondContact O-CA 3.49Å; L1657-I1681 HydrophobicContact CD2-CD1 4.09Å; A1667-I1681 HydrophobicContact CB-CD1 4.16Å; L1679-I1681 HydrophobicContact CD1-CD1 4.13Å; L1679-I1681 HydrophobicContact CD1-CG1 3.84Å; L1679-I1681 HydrophobicContact CD2-CD1 4.4Å; L1679-I1681 HydrophobicContact CG-CD1 4.32Å; L1679-I1681 HydrophobicContact CG-CG1 4.09Å; I1681-I1688 HydrophobicContact CB-CD1 4.07Å; I1681-I1688 HydrophobicContact CB-CG1 4.24Å; I1681-I1688 HydrophobicContact CG2-CD1 3.88Å; I1681-I1688 HydrophobicContact CG2-CG1 4.29Å; I1681-I1688 HydrophobicContact CG2-CG2 4.3Å; I1681-I1688 PolarHBondContact O-N 2.93Å; I1681-I1688 VanDerWaalsContact O-N 3.09Å; I1681-S1691 PolarHBondContact N-OG 2.72Å; I1681-S1691 WeakPolarHBondContact O-CB 3.31Å; I1681-S1691 PolarHBondContact O-OG 3.38Å; I1681-S1691 VanDerWaalsContact O-OG 3.13Å |
| 1682 | T | 73.5 | Confident | 70.1 | Confident | 27 Ų | 27 | 53 Ų | 53 | 17% | 0.166 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 146.3 | 176.1 | 71.3 | 0 | 0 | 0 | 0 | 111.7 | V1641 E1642 Q1686 | V1641-T1682 VanDerWaalsContact CA-O 3.31Å; V1641-T1682 WeakPolarHBondContact CA-O 3.29Å; E1642-T1682 PolarHBondContact N-O 2.79Å; E1642-T1682 PolarHBondContact O-N 3.22Å; T1682-Q1686 CarbonylContact C-O 3.57Å; T1682-Q1686 WeakPolarHBondContact CA-O 3.39Å; T1682-Q1686 WeakPolarHBondContact CB-O 3.33Å |
| 1683 | Y | 71.6 | Confident | 70 | Confident | 63 Ų | 63 | 48 Ų | 48 | 25% | 0.247 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 121.4 | 171.8 | 172.9 | -93.2 | 0 | 0 | 0 | 108.2 | V1634 T1637 V1641 G1685 Q1686 | V1634-Y1683 HydrophobicContact CG1-CD2 4.24Å; T1637-Y1683 WeakPolarHBondContact O-CE2 3.28Å; T1637-Y1683 PolarHBondContact O-OH 3.02Å; V1641-Y1683 HydrophobicContact CG2-CD2 3.82Å; Y1683-G1685 PolarHBondContact O-N 3.22Å; Y1683-Q1686 PolarHBondContact N-O 3.11Å; Y1683-Q1686 PolarHBondContact O-N 2.91Å |
| 1684 | N | 67.6 | Low | 70.4 | Confident | 83 Ų | 83 | 53.8 Ų | 53.8 | 44% | 0.444 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 33.9 | -174.3 | -65 | -37.8 | 0 | 0 | 0 | 114.2 | S1639 H1640 | S1639-N1684 PolarHBondContact OG-OD1 2.93Å; H1640-N1684 PolarHBondContact O-N 2.92Å |
| 1685 | G | 67.1 | Low | 70.8 | Confident | 57 Ų | 57 | 49.8 Ų | 49.8 | 59% | 0.588 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 11.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y1683 | Y1683-G1685 PolarHBondContact O-N 3.22Š|
| 1686 | Q | 61.8 | Low | 70.9 | Confident | 143 Ų | 143 | 53.5 Ų | 53.5 | 67% | 0.668 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 137.8 | 166.4 | -68.2 | -73.9 | -78.8 | 0 | 0 | 109.3 | T1682 Y1683 | T1682-Q1686 CarbonylContact C-O 3.57Å; T1682-Q1686 WeakPolarHBondContact CA-O 3.39Å; T1682-Q1686 WeakPolarHBondContact CB-O 3.33Å; Y1683-Q1686 PolarHBondContact N-O 3.11Å; Y1683-Q1686 PolarHBondContact O-N 2.91Å |
| 1687 | P | 69.4 | Low | 70.2 | Confident | 77 Ų | 77 | 50.2 Ų | 50.2 | 50% | 0.5 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 138.5 | 171.4 | -22.9 | 33.9 | 0 | 0 | 0 | 111.3 | ||
| 1688 | I | 72.2 | Confident | 69.4 | Low | 10 Ų | 10 | 52.9 Ų | 52.9 | 5% | 0.051 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 152.1 | 173.9 | 73 | 171 | 0 | 0 | 0 | 109.8 | L1632 V1634 I1681 G1690 S1691 F1693 | L1632-I1688 HydrophobicContact CB-CD1 4.42Å; V1634-I1688 HydrophobicContact CG1-CD1 4.28Å; V1634-I1688 HydrophobicContact CG1-CG2 3.68Å; I1681-I1688 HydrophobicContact CB-CD1 4.07Å; I1681-I1688 HydrophobicContact CB-CG1 4.24Å; I1681-I1688 HydrophobicContact CG2-CD1 3.88Å; I1681-I1688 HydrophobicContact CG2-CG1 4.29Å; I1681-I1688 HydrophobicContact CG2-CG2 4.3Å; I1681-I1688 PolarHBondContact O-N 2.93Å; I1681-I1688 VanDerWaalsContact O-N 3.09Å; I1688-G1690 PolarHBondContact O-N 3.03Å; I1688-G1690 VanDerWaalsContact O-N 3.15Å; I1688-S1691 VanDerWaalsContact O-CB 3.28Å; I1688-S1691 WeakPolarHBondContact O-CB 3.42Å; I1688-S1691 PolarHBondContact O-N 3.39Å; I1688-F1693 HydrophobicContact CD1-CE2 3.86Å; I1688-F1693 HydrophobicContact CD1-CZ 3.95Å; I1688-F1693 HydrophobicContact CG1-CE2 3.89Å; I1688-F1693 HydrophobicContact CG1-CZ 3.98Å |
| 1689 | P | 56.9 | Low | 68.1 | Low | 122 Ų | 122 | 52.3 Ų | 52.3 | 79% | 0.792 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 122.5 | 177.2 | -26.8 | 35.8 | 0 | 0 | 0 | 111.6 | ||
| 1690 | G | 55.7 | Low | 66.5 | Low | 39 Ų | 39 | 53.1 Ų | 53.1 | 40% | 0.402 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.1 | -11.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | I1688 P1692 F1693 | I1688-G1690 PolarHBondContact O-N 3.03Å; I1688-G1690 VanDerWaalsContact O-N 3.15Å; G1690-P1692 CarbonylContact O-C 3.57Å; G1690-F1693 VanDerWaalsContact C-CE1 3.44Å; G1690-F1693 VanDerWaalsContact C-CZ 3.48Å; G1690-F1693 WeakPolarHBondContact O-CD1 3.2Å; G1690-F1693 WeakPolarHBondContact O-CE1 3.14Å |
| 1691 | S | 69.5 | Low | 65.1 | Low | 20 Ų | 20 | 53 Ų | 53 | 14% | 0.14 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 136.1 | 176.7 | 175.2 | 0 | 0 | 0 | 0 | 112.3 | E1680 I1681 I1688 | E1680-S1691 WeakPolarHBondContact CA-OG 3.28Å; I1681-S1691 PolarHBondContact N-OG 2.72Å; I1681-S1691 WeakPolarHBondContact O-CB 3.31Å; I1681-S1691 PolarHBondContact O-OG 3.38Å; I1681-S1691 VanDerWaalsContact O-OG 3.13Å; I1688-S1691 VanDerWaalsContact O-CB 3.28Å; I1688-S1691 WeakPolarHBondContact O-CB 3.42Å; I1688-S1691 PolarHBondContact O-N 3.39Å |
| 1692 | P | 68.7 | Low | 63.8 | Low | 59 Ų | 59 | 55 Ų | 55 | 38% | 0.383 | 33% | 0.325 | S | S | . | . | S | Bend | cis | -84.1 | 132.7 | 1.9 | 32.6 | -34.5 | 0 | 0 | 0 | 113.9 | E1678 L1679 E1680 G1690 | E1678-P1692 HydrophobicContact CB-CB 4.45Å; L1679-P1692 CarbonylContact O-C 3.56Å; L1679-P1692 VanDerWaalsContact O-CA 3.3Å; L1679-P1692 WeakPolarHBondContact O-CA 3.35Å; E1680-P1692 HydrophobicContact CB-CB 4.01Å; E1680-P1692 HydrophobicContact CG-CB 4.44Å; G1690-P1692 CarbonylContact O-C 3.57Å |
| 1693 | F | 68.3 | Low | 62.9 | Low | 5 Ų | 5 | 55.2 Ų | 55.2 | 2% | 0.022 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 129.1 | 177.7 | -54 | -85.2 | 0 | 0 | 0 | 110.4 | L1632 L1679 I1688 G1690 | L1632-F1693 HydrophobicContact CD1-CD2 3.8Å; L1632-F1693 HydrophobicContact CD1-CE2 3.75Å; L1632-F1693 HydrophobicContact CD1-CG 4.4Å; L1632-F1693 HydrophobicContact CD1-CZ 4.29Å; L1632-F1693 HydrophobicContact CD2-CD1 4.04Å; L1632-F1693 HydrophobicContact CD2-CD2 4.33Å; L1632-F1693 HydrophobicContact CD2-CE1 3.74Å; L1632-F1693 HydrophobicContact CD2-CE2 4.08Å; L1632-F1693 HydrophobicContact CD2-CG 4.33Å; L1632-F1693 HydrophobicContact CD2-CZ 3.78Å; L1632-F1693 HydrophobicContact CG-CE2 4.48Å; L1679-F1693 HydrophobicContact CB-CB 4.3Å; L1679-F1693 HydrophobicContact CG-CD2 4.46Å; L1679-F1693 PolarHBondContact N-O 2.8Å; L1679-F1693 WeakPolarHBondContact O-CD2 3.41Å; L1679-F1693 PolarHBondContact O-N 2.98Å; I1688-F1693 HydrophobicContact CD1-CE2 3.86Å; I1688-F1693 HydrophobicContact CD1-CZ 3.95Å; I1688-F1693 HydrophobicContact CG1-CE2 3.89Å; I1688-F1693 HydrophobicContact CG1-CZ 3.98Å; G1690-F1693 VanDerWaalsContact C-CE1 3.44Å; G1690-F1693 VanDerWaalsContact C-CZ 3.48Å; G1690-F1693 WeakPolarHBondContact O-CD1 3.2Å; G1690-F1693 WeakPolarHBondContact O-CE1 3.14Å |
| 1694 | R | 71.8 | Confident | 62.2 | Low | 155 Ų | 155 | 55.6 Ų | 55.6 | 59% | 0.585 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 139 | -174.3 | -73.4 | -176.6 | 168.6 | 140.7 | 2.3 | 112.2 | L1676 E1678 | L1676-R1694 HydrophobicContact CD1-CB 4.17Å; E1678-R1694 HydrophobicContact CG-CG 4.25Å; E1678-R1694 IonicContact OE1-CZ 3.82Å; E1678-R1694 IonicContact OE1-NE 2.72Å; E1678-R1694 PolarHBondContact OE1-NE 2.83Å; E1678-R1694 IonicContact OE1-NH2 3.72Å; E1678-R1694 PolarHBondContact OE1-NH2 3.31Å |
| 1695 | F | 70.5 | Confident | 62.5 | Low | 3 Ų | 3 | 51.7 Ų | 51.7 | 1% | 0.013 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 151.7 | 177.4 | 67.6 | -81.4 | 0 | 0 | 0 | 112.8 | V1628 F1630 V1645 F1669 H1677 L1679 V1697 | V1628-F1695 HydrophobicContact CB-CE2 4.48Å; V1628-F1695 HydrophobicContact CG1-CD2 4.13Å; V1628-F1695 HydrophobicContact CG1-CE2 4.35Å; F1630-F1695 HydrophobicContact CE1-CB 4.24Å; F1630-F1695 HydrophobicContact CE1-CG 4.47Å; F1630-F1695 HydrophobicContact CE2-CB 4.47Å; F1630-F1695 AromaticContact CE2-CD1 3.72Å; F1630-F1695 HydrophobicContact CE2-CD1 3.72Å; F1630-F1695 HydrophobicContact CE2-CD2 4.11Å; F1630-F1695 AromaticContact CE2-CE1 3.83Å; F1630-F1695 HydrophobicContact CE2-CE1 3.83Å; F1630-F1695 HydrophobicContact CE2-CE2 4.21Å; F1630-F1695 AromaticContact CE2-CG 3.87Å; F1630-F1695 HydrophobicContact CE2-CG 3.87Å; F1630-F1695 HydrophobicContact CE2-CZ 4.07Å; F1630-F1695 HydrophobicContact CZ-CB 3.54Å; F1630-F1695 AromaticContact CZ-CD1 3.54Å; F1630-F1695 HydrophobicContact CZ-CD1 3.54Å; F1630-F1695 AromaticContact CZ-CD2 3.94Å; F1630-F1695 HydrophobicContact CZ-CD2 3.94Å; F1630-F1695 HydrophobicContact CZ-CE1 4.15Å; F1630-F1695 HydrophobicContact CZ-CE2 4.49Å; F1630-F1695 AromaticContact CZ-CG 3.41Å; F1630-F1695 HydrophobicContact CZ-CG 3.41Å; F1630-F1695 VanDerWaalsContact CZ-CG 3.41Å; V1645-F1695 HydrophobicContact CG1-CE1 4.24Å; V1645-F1695 HydrophobicContact CG1-CZ 3.98Å; V1645-F1695 HydrophobicContact CG2-CE1 4.48Å; V1645-F1695 HydrophobicContact CG2-CZ 4.5Å; F1669-F1695 AromaticContact CD1-CE2 3.71Å; F1669-F1695 HydrophobicContact CD1-CE2 3.71Å; F1669-F1695 AromaticContact CD1-CZ 3.55Å; F1669-F1695 HydrophobicContact CD1-CZ 3.55Å; F1669-F1695 HydrophobicContact CE1-CE2 4.08Å; F1669-F1695 AromaticContact CE1-CZ 3.96Å; F1669-F1695 HydrophobicContact CE1-CZ 3.96Å; F1669-F1695 HydrophobicContact CG-CZ 4.23Å; H1677-F1695 HydrophobicContact CB-CD1 3.92Å; H1677-F1695 HydrophobicContact CB-CD2 4.06Å; H1677-F1695 HydrophobicContact CB-CE1 3.51Å; H1677-F1695 HydrophobicContact CB-CE2 3.67Å; H1677-F1695 HydrophobicContact CB-CG 4.18Å; H1677-F1695 HydrophobicContact CB-CZ 3.39Å; H1677-F1695 AromaticContact CG-CE2 3.97Å; H1677-F1695 AromaticContact CG-CZ 3.96Å; H1677-F1695 PolarHBondContact N-O 3.19Å; H1677-F1695 PolarHBondContact O-N 3.29Å; L1679-F1695 HydrophobicContact CB-CD1 4.49Å; L1679-F1695 HydrophobicContact CB-CE1 4.08Å; F1695-V1697 HydrophobicContact CD2-CG2 3.99Å; F1695-V1697 HydrophobicContact CE2-CG2 4.05Å |
| 1696 | Y | 66.1 | Low | 62.5 | Low | 83 Ų | 83 | 49.6 Ų | 49.6 | 33% | 0.325 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 146.1 | -175.7 | -146.8 | -84.9 | 0 | 0 | 0 | 110.5 | L1676 P1781 | L1676-Y1696 HydrophobicContact CB-CD2 3.77Å; L1676-Y1696 HydrophobicContact CB-CE2 3.85Å; L1676-Y1696 HydrophobicContact CD1-CD2 4.17Å; Y1696-P1781 HydrophobicContact CD1-CB 3.68Å; Y1696-P1781 HydrophobicContact CD2-CB 4.4Å; Y1696-P1781 HydrophobicContact CE1-CB 3.81Å; Y1696-P1781 HydrophobicContact CG-CB 3.99Å |
| 1697 | V | 63.9 | Low | 63.3 | Low | 10 Ų | 10 | 42.9 Ų | 42.9 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 143.3 | 179.8 | -169.5 | 0 | 0 | 0 | 0 | 111.4 | V1628 P1671 P1674 G1675 F1695 | V1628-V1697 HydrophobicContact CG2-CG2 4.21Å; P1671-V1697 HydrophobicContact CB-CB 4.06Å; P1671-V1697 HydrophobicContact CB-CG1 3.73Å; P1671-V1697 HydrophobicContact CB-CG2 3.77Å; P1671-V1697 HydrophobicContact CG-CB 4.23Å; P1671-V1697 HydrophobicContact CG-CG1 3.8Å; P1671-V1697 HydrophobicContact CG-CG2 3.58Å; P1674-V1697 CarbonylContact C-O 3.54Å; P1674-V1697 VanDerWaalsContact CA-O 3.25Å; P1674-V1697 WeakPolarHBondContact CA-O 3.21Å; G1675-V1697 PolarHBondContact N-O 2.9Å; G1675-V1697 PolarHBondContact O-N 3.33Å; G1675-V1697 VanDerWaalsContact O-N 3.14Å; F1695-V1697 HydrophobicContact CD2-CG2 3.99Å; F1695-V1697 HydrophobicContact CE2-CG2 4.05Å |
| 1698 | E | 61.3 | Low | 63.3 | Low | 56 Ų | 56 | 41.6 Ų | 41.6 | 26% | 0.262 | 25% | 0.248 | S | C | . | . | trans | -145.7 | 170.2 | 177.3 | -163.5 | 154.2 | -158.5 | 0 | 0 | 111.6 | I1704 T1706 | E1698-I1704 WeakPolarHBondContact OE2-CD1 3.44Å; E1698-I1704 WeakPolarHBondContact OE2-CG2 3.37Å; E1698-T1706 HydrophobicContact CB-CG2 4.16Å | ||
| 1699 | A | 51.2 | Low | 63.2 | Low | 35 Ų | 35 | 41.5 Ų | 41.5 | 29% | 0.289 | 25% | 0.25 | S | S | . | . | trans | -68.2 | 141.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y1625 S1702 | Y1625-A1699 HydrophobicContact CD2-CB 4.27Å; Y1625-A1699 HydrophobicContact CE2-CB 3.55Å; A1699-S1702 WeakPolarHBondContact O-CB 3.43Å; A1699-S1702 PolarHBondContact O-N 2.78Å; A1699-S1702 VanDerWaalsContact O-N 3.13Å; A1699-S1702 PolarHBondContact O-OG 2.82Å | ||
| 1700 | V | 50.8 | Low | 63.6 | Low | 16 Ų | 16 | 37.6 Ų | 37.6 | 10% | 0.097 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 136.8 | 162.1 | -176.3 | 0 | 0 | 0 | 0 | 106.4 | G1624 H1626 R1728 D1729 | G1624-V1700 VanDerWaalsContact C-CB 3.47Å; G1624-V1700 CarbonylContact C-O 3.59Å; G1624-V1700 VanDerWaalsContact O-O 3.04Å; H1626-V1700 HydrophobicContact CB-CG2 3.85Å; H1626-V1700 VanDerWaalsContact CD2-CG2 3.43Å; H1626-V1700 WeakPolarHBondContact CD2-CG2 3.32Å; V1700-R1728 HydrophobicContact CG1-CB 3.88Å; V1700-R1728 HydrophobicContact CG1-CG 4.29Å; V1700-D1729 HydrophobicContact CG1-CB 4.43Å; V1700-D1729 WeakPolarHBondContact CG1-OD2 3.33Å |
| 1701 | G | 50.3 | Low | 64.4 | Low | 47 Ų | 47 | 35.8 Ų | 35.8 | 49% | 0.485 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | 4.1 | -158 | 0 | 0 | 0 | 0 | 0 | 113.9 | G1703 D1729 | G1701-G1703 VanDerWaalsContact C-N 3.3Å; G1701-D1729 VanDerWaalsContact CA-OD2 3.28Å; G1701-D1729 WeakPolarHBondContact CA-OD2 3.32Å; G1701-D1729 PolarHBondContact N-OD2 2.67Å |
| 1702 | S | 52.5 | Low | 64.8 | Low | 44 Ų | 44 | 35.3 Ų | 35.3 | 31% | 0.308 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -70 | -27.2 | 163.2 | 59.8 | 0 | 0 | 0 | 0 | 112.8 | A1699 I1704 | A1699-S1702 WeakPolarHBondContact O-CB 3.43Å; A1699-S1702 PolarHBondContact O-N 2.78Å; A1699-S1702 VanDerWaalsContact O-N 3.13Å; A1699-S1702 PolarHBondContact O-OG 2.82Å; S1702-I1704 VanDerWaalsContact C-N 3.31Å; S1702-I1704 PolarHBondContact OG-N 2.79Å; S1702-I1704 VanDerWaalsContact OG-N 3.17Å |
| 1703 | G | 53.6 | Low | 64.7 | Low | 32 Ų | 32 | 33.7 Ų | 33.7 | 33% | 0.33 | 19% | 0.192 | S | C | . | . | trans | 80.5 | 6.6 | -171 | 0 | 0 | 0 | 0 | 0 | 114.5 | G1701 | G1701-G1703 VanDerWaalsContact C-N 3.3Š| ||
| 1704 | I | 57.4 | Low | 64.7 | Low | 71 Ų | 71 | 34.8 Ų | 34.8 | 36% | 0.364 | 20% | 0.2 | S | C | . | . | trans | -108.5 | 129.5 | -176.1 | -64.4 | 166 | 0 | 0 | 0 | 110 | E1698 S1702 P1781 | E1698-I1704 WeakPolarHBondContact OE2-CD1 3.44Å; E1698-I1704 WeakPolarHBondContact OE2-CG2 3.37Å; S1702-I1704 VanDerWaalsContact C-N 3.31Å; S1702-I1704 PolarHBondContact OG-N 2.79Å; S1702-I1704 VanDerWaalsContact OG-N 3.17Å; I1704-P1781 HydrophobicContact CG2-CG 3.68Å | ||
| 1705 | V | 72.7 | Confident | 64.6 | Low | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | trans | -72.5 | 139.2 | 174.4 | 174.3 | 0 | 0 | 0 | 0 | 109.5 | I1726 T1727 A1730 L1735 F1775 I1780 | V1705-I1726 WeakPolarHBondContact CA-O 3.34Å; V1705-I1726 WeakPolarHBondContact CG1-O 3.41Å; V1705-T1727 HydrophobicContact CG1-CG2 4.35Å; V1705-T1727 HydrophobicContact CG2-CG2 4.41Å; V1705-A1730 HydrophobicContact CG2-CB 3.61Å; V1705-L1735 HydrophobicContact CG1-CD1 4.06Å; V1705-F1775 HydrophobicContact CB-CB 4.15Å; V1705-F1775 HydrophobicContact CB-CG 4.28Å; V1705-F1775 HydrophobicContact CG2-CB 3.89Å; V1705-F1775 HydrophobicContact CG2-CD1 3.94Å; V1705-F1775 HydrophobicContact CG2-CD2 3.6Å; V1705-F1775 HydrophobicContact CG2-CE1 4.39Å; V1705-F1775 HydrophobicContact CG2-CE2 4.09Å; V1705-F1775 HydrophobicContact CG2-CG 3.51Å; V1705-F1775 HydrophobicContact CG2-CZ 4.46Å; V1705-I1780 HydrophobicContact CB-CG2 3.81Å; V1705-I1780 HydrophobicContact CG1-CG2 3.98Å; V1705-I1780 WeakPolarHBondContact O-CB 3.34Å | ||
| 1706 | T | 68.7 | Low | 64.5 | Low | 13 Ų | 13 | 35.3 Ų | 35.3 | 8% | 0.08 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 161 | 179.7 | 46.3 | 0 | 0 | 0 | 0 | 111.7 | E1698 L1725 I1726 | E1698-T1706 HydrophobicContact CB-CG2 4.16Å; T1706-L1725 CarbonylContact O-C 3.51Å; T1706-L1725 WeakPolarHBondContact O-CA 3.39Å; T1706-I1726 PolarHBondContact N-O 2.85Å; T1706-I1726 PolarHBondContact O-N 2.94Å |
| 1707 | A | 77 | Confident | 64.6 | Low | 2 Ų | 2 | 32.9 Ų | 32.9 | 2% | 0.017 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 143.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1712 T1724 L1725 I1773 I1780 F1785 | A1707-L1712 HydrophobicContact CB-CD1 3.83Å; A1707-T1724 WeakPolarHBondContact CA-O 3.11Å; A1707-L1725 HydrophobicContact CB-CD2 3.44Å; A1707-L1725 VanDerWaalsContact CB-CD2 3.44Å; A1707-I1773 HydrophobicContact CB-CD1 4.03Å; A1707-I1780 HydrophobicContact CB-CD1 3.6Å; A1707-F1785 HydrophobicContact CB-CE2 4.11Å; A1707-F1785 HydrophobicContact CB-CZ 3.99Å |
| 1708 | Y | 71.1 | Confident | 64.5 | Low | 49 Ų | 49 | 34.8 Ų | 34.8 | 19% | 0.192 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 142.8 | 175.7 | 67.4 | -82.2 | 0 | 0 | 0 | 111.9 | V1628 T1724 I1726 | V1628-Y1708 HydrophobicContact CG1-CD2 3.67Å; V1628-Y1708 HydrophobicContact CG1-CE2 4.39Å; V1628-Y1708 HydrophobicContact CG1-CG 3.84Å; Y1708-T1724 HydrophobicContact CE1-CG2 3.86Å; Y1708-T1724 PolarHBondContact N-O 2.87Å; Y1708-T1724 PolarHBondContact O-N 2.83Å; Y1708-I1726 HydrophobicContact CD1-CD1 4.26Å; Y1708-I1726 HydrophobicContact CD1-CG1 4.36Å; Y1708-I1726 HydrophobicContact CE1-CD1 3.87Å; Y1708-I1726 HydrophobicContact CE1-CG1 3.86Å |
| 1709 | G | 69.7 | Low | 65 | Low | 9 Ų | 9 | 36.6 Ų | 36.6 | 9% | 0.093 | 24% | 0.237 | C | C | . | . | S | Bend | trans | 143.3 | 161.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G1711 L1712 | G1709-G1711 VanDerWaalsContact C-N 3.31Å; G1709-G1711 PolarHBondContact O-N 2.82Å; G1709-L1712 WeakPolarHBondContact O-CB 3.2Å; G1709-L1712 PolarHBondContact O-N 2.68Å |
| 1710 | P | 64.7 | Low | 66.1 | Low | 39 Ų | 39 | 38.8 Ų | 38.8 | 25% | 0.253 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -62.7 | -33.2 | -169.9 | 24.2 | -33.8 | 0 | 0 | 0 | 113.7 | L1632 L1712 S1713 C1714 N1722 | L1632-P1710 HydrophobicContact CD2-CB 4.19Å; P1710-L1712 PolarHBondContact O-N 3.07Å; P1710-L1712 VanDerWaalsContact O-N 3.07Å; P1710-S1713 WeakPolarHBondContact O-CA 3.33Å; P1710-S1713 PolarHBondContact O-N 2.83Å; P1710-S1713 PolarHBondContact O-OG 3.39Å; P1710-C1714 PolarHBondContact O-N 2.83Å; P1710-N1722 WeakPolarHBondContact CD-O 3.43Å |
| 1711 | G | 73.1 | Confident | 67.5 | Low | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -61.3 | -15.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | G1709 S1713 N1722 Y1761 A1787 | G1709-G1711 VanDerWaalsContact C-N 3.31Å; G1709-G1711 PolarHBondContact O-N 2.82Å; G1711-S1713 PolarHBondContact O-N 2.64Å; G1711-N1722 WeakPolarHBondContact CA-O 3.19Å; G1711-N1722 PolarHBondContact N-O 3.03Å; G1711-Y1761 VanDerWaalsContact O-CE1 3.25Å; G1711-Y1761 WeakPolarHBondContact O-CE1 3.31Å; G1711-Y1761 PolarHBondContact O-OH 2.74Å; G1711-A1787 WeakPolarHBondContact O-CB 3.5Å |
| 1712 | L | 78 | Confident | 69 | Low | 10 Ų | 10 | 40 Ų | 40 | 5% | 0.052 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -75.8 | -1.4 | 170.1 | -58.8 | 175.7 | 0 | 0 | 0 | 113.3 | A1707 G1709 P1710 F1723 I1771 I1773 F1785 T1786 | A1707-L1712 HydrophobicContact CB-CD1 3.83Å; G1709-L1712 WeakPolarHBondContact O-CB 3.2Å; G1709-L1712 PolarHBondContact O-N 2.68Å; P1710-L1712 PolarHBondContact O-N 3.07Å; P1710-L1712 VanDerWaalsContact O-N 3.07Å; L1712-F1723 HydrophobicContact CD1-CB 4.31Å; L1712-F1723 HydrophobicContact CD1-CD2 4.31Å; L1712-F1723 HydrophobicContact CD1-CG 4.4Å; L1712-F1723 HydrophobicContact CD2-CB 4.26Å; L1712-F1723 HydrophobicContact CD2-CD1 3.77Å; L1712-F1723 HydrophobicContact CD2-CD2 3.66Å; L1712-F1723 HydrophobicContact CD2-CE1 3.92Å; L1712-F1723 HydrophobicContact CD2-CE2 3.83Å; L1712-F1723 HydrophobicContact CD2-CG 3.63Å; L1712-F1723 HydrophobicContact CD2-CZ 3.94Å; L1712-F1723 HydrophobicContact CG-CB 3.8Å; L1712-F1723 HydrophobicContact CG-CD1 4.18Å; L1712-F1723 HydrophobicContact CG-CD2 4.03Å; L1712-F1723 HydrophobicContact CG-CG 3.75Å; L1712-I1771 HydrophobicContact CD2-CB 4.38Å; L1712-I1771 HydrophobicContact CD2-CG2 3.99Å; L1712-I1773 HydrophobicContact CD2-CD1 3.85Å; L1712-F1785 HydrophobicContact CB-CB 4.12Å; L1712-F1785 HydrophobicContact CB-CD1 4.07Å; L1712-F1785 HydrophobicContact CB-CG 4.16Å; L1712-F1785 HydrophobicContact CD1-CD1 4.11Å; L1712-F1785 HydrophobicContact CD1-CE1 4.03Å; L1712-F1785 HydrophobicContact CD1-CG 4.41Å; L1712-F1785 HydrophobicContact CD1-CZ 4.26Å; L1712-F1785 HydrophobicContact CD2-CB 4.2Å; L1712-F1785 HydrophobicContact CD2-CD1 4.48Å; L1712-F1785 HydrophobicContact CD2-CD2 3.96Å; L1712-F1785 HydrophobicContact CD2-CE2 4.46Å; L1712-F1785 HydrophobicContact CD2-CG 3.97Å; L1712-F1785 HydrophobicContact CG-CD1 4.45Å; L1712-F1785 HydrophobicContact CG-CG 4.4Å; L1712-T1786 CarbonylContact O-C 3.57Å |
| 1713 | S | 65.6 | Low | 70.6 | Confident | 25 Ų | 25 | 38.2 Ų | 38.2 | 18% | 0.175 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -145.9 | -27.7 | -169.7 | 63.4 | 0 | 0 | 0 | 0 | 116.1 | P1710 G1711 T1786 A1787 H1788 | P1710-S1713 WeakPolarHBondContact O-CA 3.33Å; P1710-S1713 PolarHBondContact O-N 2.83Å; P1710-S1713 PolarHBondContact O-OG 3.39Å; G1711-S1713 PolarHBondContact O-N 2.64Å; S1713-T1786 WeakPolarHBondContact CA-O 3.39Å; S1713-A1787 VanDerWaalsContact C-CA 3.43Å; S1713-A1787 WeakPolarHBondContact O-CA 3.29Å; S1713-H1788 PolarHBondContact O-N 2.92Å; S1713-H1788 VanDerWaalsContact O-N 3.16Å |
| 1714 | C | 68.4 | Low | 71.7 | Confident | 29 Ų | 29 | 38 Ų | 38 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 166.1 | 179 | 58.9 | 0 | 0 | 0 | 0 | 113.7 | P1710 H1788 | P1710-C1714 PolarHBondContact O-N 2.83Å; C1714-H1788 VanDerWaalsContact CA-O 3.31Å; C1714-H1788 WeakPolarHBondContact CA-O 3.34Å |
| 1715 | G | 69.5 | Low | 72.9 | Confident | 25 Ų | 25 | 34.7 Ų | 34.7 | 26% | 0.258 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.1 | -164.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | H1788 I1789 A1790 | G1715-H1788 PolarHBondContact N-O 2.84Å; G1715-H1788 VanDerWaalsContact N-O 3.12Å; G1715-I1789 VanDerWaalsContact CA-CD1 3.49Å; G1715-I1789 WeakPolarHBondContact O-CA 3.23Å; G1715-A1790 PolarHBondContact O-N 3.11Å |
| 1716 | R | 69.5 | Low | 72.9 | Confident | 144 Ų | 144 | 35.3 Ų | 35.3 | 54% | 0.543 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 143.6 | -177.9 | -82.6 | 173.5 | 165.3 | -164.1 | -0.5 | 112.2 | G1718 E1719 I1789 A1790 | R1716-G1718 PolarHBondContact O-N 2.88Å; R1716-E1719 HydrophobicContact CB-CB 4.04Å; R1716-E1719 HydrophobicContact CB-CG 4.12Å; R1716-E1719 VanDerWaalsContact CD-OE1 3.25Å; R1716-E1719 WeakPolarHBondContact CD-OE1 3.3Å; R1716-E1719 WeakPolarHBondContact CD-OE2 3.43Å; R1716-E1719 IonicContact CZ-OE1 2.79Å; R1716-E1719 IonicContact NH1-OE1 3.62Å; R1716-E1719 PolarHBondContact NH1-OE1 3.4Å; R1716-E1719 IonicContact NH1-OE2 3.54Å; R1716-E1719 PolarHBondContact O-N 2.91Å; R1716-E1719 VanDerWaalsContact O-N 3.09Å; R1716-E1719 VanDerWaalsContact O-O 3.08Å; R1716-I1789 VanDerWaalsContact C-CG2 3.44Å; R1716-A1790 CarbonylContact C-O 3.54Å; R1716-A1790 WeakPolarHBondContact CA-O 3.33Å |
| 1717 | A | 67.8 | Low | 73.1 | Confident | 31 Ų | 31 | 36.6 Ų | 36.6 | 26% | 0.256 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | 116.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | P1763 I1789 A1790 | A1717-P1763 CarbonylContact C-O 3.54Å; A1717-P1763 WeakPolarHBondContact CA-O 3.13Å; A1717-I1789 HydrophobicContact CB-CG2 4.17Å; A1717-I1789 VanDerWaalsContact N-CG2 3.33Å; A1717-A1790 PolarHBondContact N-O 2.74Å |
| 1718 | G | 61.5 | Low | 72.1 | Confident | 50 Ų | 50 | 41.6 Ų | 41.6 | 52% | 0.515 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | 0.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | R1716 P1763 | R1716-G1718 PolarHBondContact O-N 2.88Å; G1718-P1763 PolarHBondContact N-O 2.95Å |
| 1719 | E | 72.3 | Confident | 71.2 | Confident | 95 Ų | 95 | 41.2 Ų | 41.2 | 44% | 0.444 | 24% | 0.236 | S | C | . | . | B | Isolated β-bridge | trans | -116.9 | 139 | 172.7 | -62 | 177 | -162.5 | 0 | 0 | 109.7 | R1716 | R1716-E1719 HydrophobicContact CB-CB 4.04Å; R1716-E1719 HydrophobicContact CB-CG 4.12Å; R1716-E1719 VanDerWaalsContact CD-OE1 3.25Å; R1716-E1719 WeakPolarHBondContact CD-OE1 3.3Å; R1716-E1719 WeakPolarHBondContact CD-OE2 3.43Å; R1716-E1719 IonicContact CZ-OE1 2.79Å; R1716-E1719 IonicContact NH1-OE1 3.62Å; R1716-E1719 PolarHBondContact NH1-OE1 3.4Å; R1716-E1719 IonicContact NH1-OE2 3.54Å; R1716-E1719 PolarHBondContact O-N 2.91Å; R1716-E1719 VanDerWaalsContact O-N 3.09Å; R1716-E1719 VanDerWaalsContact O-O 3.08Å |
| 1720 | P | 73.7 | Confident | 70.4 | Confident | 80 Ų | 80 | 41.9 Ų | 41.9 | 52% | 0.519 | 24% | 0.24 | S | C | . | . | trans | -72.9 | 130 | -178 | 27.5 | -33.3 | 0 | 0 | 0 | 113.2 | Y1761 | P1720-Y1761 WeakPolarHBondContact CA-O 3.39Š| ||
| 1721 | S | 81.2 | Confident | 69.5 | Low | 6 Ų | 6 | 42.2 Ų | 42.2 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 119 | 177.9 | -68.7 | 0 | 0 | 0 | 0 | 111.2 | S1760 Y1761 | S1721-S1760 CarbonylContact O-C 3.56Å; S1721-S1760 WeakPolarHBondContact O-CA 3.49Å; S1721-Y1761 VanDerWaalsContact CB-CE1 3.5Å; S1721-Y1761 PolarHBondContact N-O 2.86Å; S1721-Y1761 WeakPolarHBondContact O-CD1 3.49Å; S1721-Y1761 PolarHBondContact O-N 3.1Å |
| 1722 | N | 80.8 | Confident | 68.4 | Low | 84 Ų | 84 | 47.6 Ų | 47.6 | 45% | 0.449 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 143.3 | -168.4 | -60.3 | -19.9 | 0 | 0 | 0 | 114.1 | P1710 G1711 V1759 S1760 | P1710-N1722 WeakPolarHBondContact CD-O 3.43Å; G1711-N1722 WeakPolarHBondContact CA-O 3.19Å; G1711-N1722 PolarHBondContact N-O 3.03Å; N1722-V1759 CarbonylContact C-O 3.59Å; N1722-V1759 WeakPolarHBondContact CA-O 3.21Å; N1722-S1760 WeakPolarHBondContact OD1-CB 3.22Å |
| 1723 | F | 85.9 | Confident | 67.1 | Low | 5 Ų | 5 | 48.7 Ų | 48.7 | 2% | 0.022 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 176.1 | 169.7 | 68.4 | -90.1 | 0 | 0 | 0 | 111.6 | L1712 L1725 L1737 V1759 Y1761 I1771 I1773 | L1712-F1723 HydrophobicContact CD1-CB 4.31Å; L1712-F1723 HydrophobicContact CD1-CD2 4.31Å; L1712-F1723 HydrophobicContact CD1-CG 4.4Å; L1712-F1723 HydrophobicContact CD2-CB 4.26Å; L1712-F1723 HydrophobicContact CD2-CD1 3.77Å; L1712-F1723 HydrophobicContact CD2-CD2 3.66Å; L1712-F1723 HydrophobicContact CD2-CE1 3.92Å; L1712-F1723 HydrophobicContact CD2-CE2 3.83Å; L1712-F1723 HydrophobicContact CD2-CG 3.63Å; L1712-F1723 HydrophobicContact CD2-CZ 3.94Å; L1712-F1723 HydrophobicContact CG-CB 3.8Å; L1712-F1723 HydrophobicContact CG-CD1 4.18Å; L1712-F1723 HydrophobicContact CG-CD2 4.03Å; L1712-F1723 HydrophobicContact CG-CG 3.75Å; F1723-L1725 HydrophobicContact CD2-CD2 4.34Å; F1723-L1725 HydrophobicContact CE2-CD2 3.82Å; F1723-L1725 HydrophobicContact CE2-CG 4.03Å; F1723-L1737 HydrophobicContact CZ-CD1 4.2Å; F1723-L1737 HydrophobicContact CZ-CD2 4.16Å; F1723-V1759 HydrophobicContact CD1-CB 4.22Å; F1723-V1759 HydrophobicContact CD1-CG1 4.44Å; F1723-V1759 HydrophobicContact CD2-CB 4.06Å; F1723-V1759 HydrophobicContact CD2-CG2 4.26Å; F1723-V1759 HydrophobicContact CE1-CB 3.91Å; F1723-V1759 HydrophobicContact CE1-CG1 3.7Å; F1723-V1759 HydrophobicContact CE2-CB 3.72Å; F1723-V1759 HydrophobicContact CE2-CG1 4.05Å; F1723-V1759 HydrophobicContact CE2-CG2 3.76Å; F1723-V1759 HydrophobicContact CG-CB 4.31Å; F1723-V1759 HydrophobicContact CZ-CB 3.65Å; F1723-V1759 HydrophobicContact CZ-CG1 3.47Å; F1723-V1759 VanDerWaalsContact CZ-CG1 3.47Å; F1723-V1759 HydrophobicContact CZ-CG2 4.07Å; F1723-V1759 PolarHBondContact N-O 3.12Å; F1723-V1759 WeakPolarHBondContact O-CA 3.45Å; F1723-V1759 PolarHBondContact O-N 3.22Å; F1723-Y1761 HydrophobicContact CD1-CE1 4.47Å; F1723-Y1761 HydrophobicContact CE1-CD1 4.19Å; F1723-Y1761 HydrophobicContact CE1-CE1 4.33Å; F1723-I1771 HydrophobicContact CE1-CG2 3.99Å; F1723-I1771 HydrophobicContact CZ-CG2 3.87Å; F1723-I1773 HydrophobicContact CE2-CD1 3.7Å; F1723-I1773 HydrophobicContact CE2-CG1 4.32Å; F1723-I1773 HydrophobicContact CZ-CD1 3.94Å; F1723-I1773 HydrophobicContact CZ-CG1 4.33Å |
| 1724 | T | 76.3 | Confident | 66.7 | Low | 29 Ų | 29 | 49.7 Ų | 49.7 | 18% | 0.178 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 138.6 | -176.6 | -54.5 | 0 | 0 | 0 | 0 | 111.1 | A1707 Y1708 C1757 | A1707-T1724 WeakPolarHBondContact CA-O 3.11Å; Y1708-T1724 HydrophobicContact CE1-CG2 3.86Å; Y1708-T1724 PolarHBondContact N-O 2.87Å; Y1708-T1724 PolarHBondContact O-N 2.83Å; T1724-C1757 WeakPolarHBondContact CA-O 3.29Å |
| 1725 | L | 83 | Confident | 66.7 | Low | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 145.1 | 171.9 | -64.2 | -178.5 | 0 | 0 | 0 | 111.2 | T1706 A1707 F1723 L1735 L1737 T1756 C1757 V1759 I1773 I1780 | T1706-L1725 CarbonylContact O-C 3.51Å; T1706-L1725 WeakPolarHBondContact O-CA 3.39Å; A1707-L1725 HydrophobicContact CB-CD2 3.44Å; A1707-L1725 VanDerWaalsContact CB-CD2 3.44Å; F1723-L1725 HydrophobicContact CD2-CD2 4.34Å; F1723-L1725 HydrophobicContact CE2-CD2 3.82Å; F1723-L1725 HydrophobicContact CE2-CG 4.03Å; L1725-L1735 HydrophobicContact CD1-CD1 4.12Å; L1725-L1735 HydrophobicContact CD1-CD2 3.83Å; L1725-L1735 HydrophobicContact CD1-CG 4.39Å; L1725-L1737 HydrophobicContact CD1-CD1 3.75Å; L1725-T1756 CarbonylContact O-C 3.56Å; L1725-T1756 WeakPolarHBondContact O-CA 3.3Å; L1725-T1756 WeakPolarHBondContact O-CB 3.45Å; L1725-C1757 HydrophobicContact CB-CB 4.21Å; L1725-C1757 PolarHBondContact N-O 2.84Å; L1725-C1757 PolarHBondContact O-N 3.49Å; L1725-V1759 HydrophobicContact CD1-CG2 3.98Å; L1725-V1759 HydrophobicContact CG-CG2 3.87Å; L1725-I1773 HydrophobicContact CD1-CG2 4.22Å; L1725-I1773 HydrophobicContact CD2-CD1 4Å; L1725-I1773 HydrophobicContact CD2-CG1 4.25Å; L1725-I1773 HydrophobicContact CD2-CG2 3.93Å; L1725-I1780 HydrophobicContact CD2-CD1 4.38Å |
| 1726 | I | 72.7 | Confident | 66.8 | Low | 15 Ų | 15 | 52.7 Ų | 52.7 | 8% | 0.077 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 116.9 | 170.6 | -59.6 | 179.3 | 0 | 0 | 0 | 108.6 | H1626 V1705 T1706 Y1708 R1728 T1756 | H1626-I1726 HydrophobicContact CB-CD1 4.22Å; V1705-I1726 WeakPolarHBondContact CA-O 3.34Å; V1705-I1726 WeakPolarHBondContact CG1-O 3.41Å; T1706-I1726 PolarHBondContact N-O 2.85Å; T1706-I1726 PolarHBondContact O-N 2.94Å; Y1708-I1726 HydrophobicContact CD1-CD1 4.26Å; Y1708-I1726 HydrophobicContact CD1-CG1 4.36Å; Y1708-I1726 HydrophobicContact CE1-CD1 3.87Å; Y1708-I1726 HydrophobicContact CE1-CG1 3.86Å; I1726-R1728 HydrophobicContact CG2-CB 4.46Å; I1726-T1756 HydrophobicContact CG1-CG2 4.1Å |
| 1727 | T | 73 | Confident | 67.4 | Low | 40 Ų | 40 | 47.6 Ų | 47.6 | 25% | 0.245 | 32% | 0.319 | C | S | . | . | trans | -112.8 | -2.8 | -178.1 | 53.5 | 0 | 0 | 0 | 0 | 113.4 | V1705 D1729 A1730 L1735 G1755 | V1705-T1727 HydrophobicContact CG1-CG2 4.35Å; V1705-T1727 HydrophobicContact CG2-CG2 4.41Å; T1727-D1729 PolarHBondContact O-N 2.87Å; T1727-A1730 VanDerWaalsContact O-CB 3.3Å; T1727-A1730 WeakPolarHBondContact O-CB 3.19Å; T1727-A1730 PolarHBondContact O-N 2.77Å; T1727-L1735 HydrophobicContact CG2-CD2 4.07Å; T1727-G1755 PolarHBondContact N-O 3.4Å; T1727-G1755 PolarHBondContact OG1-O 3.32Å | ||
| 1728 | R | 56.4 | Low | 68 | Low | 107 Ų | 107 | 48 Ų | 48 | 40% | 0.404 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 130.5 | -178.2 | -141.1 | 170.9 | -162.7 | 153.2 | 7.1 | 111.5 | H1626 V1700 I1726 A1730 N1754 G1755 | H1626-R1728 PolarHBondContact CE1-NH1 2.79Å; H1626-R1728 WeakPolarHBondContact NE2-CD 3.25Å; H1626-R1728 PolarHBondContact NE2-NH1 3.19Å; V1700-R1728 HydrophobicContact CG1-CB 3.88Å; V1700-R1728 HydrophobicContact CG1-CG 4.29Å; I1726-R1728 HydrophobicContact CG2-CB 4.46Å; R1728-A1730 PolarHBondContact O-N 2.95Å; R1728-N1754 PolarHBondContact NE-O 2.94Å; R1728-N1754 PolarHBondContact NH1-O 3.18Å; R1728-N1754 PolarHBondContact NH2-O 3.29Å; R1728-G1755 PolarHBondContact N-O 2.67Å; R1728-G1755 VanDerWaalsContact N-O 3.11Å |
| 1729 | D | 51.4 | Low | 69 | Low | 42 Ų | 42 | 46.2 Ų | 46.2 | 23% | 0.225 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 2.1 | -171.3 | -60.2 | -32.7 | 0 | 0 | 0 | 117.5 | T1623 G1624 V1700 G1701 T1727 | T1623-D1729 VanDerWaalsContact CA-CG 3.45Å; T1623-D1729 WeakPolarHBondContact CA-OD1 3.41Å; T1623-D1729 WeakPolarHBondContact CA-OD2 3.43Å; T1623-D1729 PolarHBondContact N-OD1 2.69Å; G1624-D1729 PolarHBondContact N-OD2 3.39Å; V1700-D1729 HydrophobicContact CG1-CB 4.43Å; V1700-D1729 WeakPolarHBondContact CG1-OD2 3.33Å; G1701-D1729 VanDerWaalsContact CA-OD2 3.28Å; G1701-D1729 WeakPolarHBondContact CA-OD2 3.32Å; G1701-D1729 PolarHBondContact N-OD2 2.67Å; T1727-D1729 PolarHBondContact O-N 2.87Å |
| 1730 | A | 52.6 | Low | 68.7 | Low | 22 Ų | 22 | 47 Ų | 47 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | trans | -77.3 | 133.8 | 165 | 0 | 0 | 0 | 0 | 0 | 109.5 | V1705 T1727 R1728 F1775 | V1705-A1730 HydrophobicContact CG2-CB 3.61Å; T1727-A1730 VanDerWaalsContact O-CB 3.3Å; T1727-A1730 WeakPolarHBondContact O-CB 3.19Å; T1727-A1730 PolarHBondContact O-N 2.77Å; R1728-A1730 PolarHBondContact O-N 2.95Å; A1730-F1775 HydrophobicContact CB-CE1 3.9Å; A1730-F1775 HydrophobicContact CB-CE2 4.04Å; A1730-F1775 HydrophobicContact CB-CZ 3.57Å | ||
| 1731 | G | 47.3 | Very low | 68.4 | Low | 46 Ų | 46 | 45 Ų | 45 | 47% | 0.474 | 30% | 0.296 | S | S | . | . | trans | -70.3 | 173.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G1733 F1775 | G1731-G1733 PolarHBondContact O-N 2.91Å; G1731-F1775 VanDerWaalsContact O-CZ 3.29Å; G1731-F1775 WeakPolarHBondContact O-CZ 3.3Å | ||
| 1732 | A | 49.7 | Very low | 67.2 | Low | 114 Ų | 114 | 48 Ų | 48 | 94% | 0.942 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -64.4 | 101.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 1733 | G | 50 | Low | 66.3 | Low | 34 Ų | 34 | 44.8 Ų | 44.8 | 35% | 0.351 | 30% | 0.3 | S | S | . | . | trans | -162.2 | 156 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | G1731 L1735 F1775 | G1731-G1733 PolarHBondContact O-N 2.91Å; G1733-L1735 PolarHBondContact O-N 3.2Å; G1733-L1735 VanDerWaalsContact O-N 3.14Å; G1733-F1775 WeakPolarHBondContact O-CE2 3.28Å | ||
| 1734 | G | 58.4 | Low | 65 | Low | 46 Ų | 46 | 53.9 Ų | 53.9 | 47% | 0.474 | 34% | 0.34 | S | S | . | . | trans | -62 | 115.4 | -174 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1775 M1776 | G1734-F1775 WeakPolarHBondContact O-CA 3.49Å; G1734-M1776 PolarHBondContact O-N 3Å | ||
| 1735 | L | 67.2 | Low | 64.5 | Low | 63 Ų | 63 | 53 Ų | 53 | 33% | 0.33 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 117.1 | 158.4 | -179.6 | 69.9 | 0 | 0 | 0 | 107 | V1705 L1725 T1727 G1733 I1773 F1775 | V1705-L1735 HydrophobicContact CG1-CD1 4.06Å; L1725-L1735 HydrophobicContact CD1-CD1 4.12Å; L1725-L1735 HydrophobicContact CD1-CD2 3.83Å; L1725-L1735 HydrophobicContact CD1-CG 4.39Å; T1727-L1735 HydrophobicContact CG2-CD2 4.07Å; G1733-L1735 PolarHBondContact O-N 3.2Å; G1733-L1735 VanDerWaalsContact O-N 3.14Å; L1735-I1773 HydrophobicContact CD1-CG2 4.25Å; L1735-F1775 HydrophobicContact CB-CD2 4.44Å; L1735-F1775 HydrophobicContact CD1-CD2 4.49Å |
| 1736 | S | 73 | Confident | 63.8 | Low | 54 Ų | 54 | 57.3 Ų | 57.3 | 38% | 0.378 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 138.4 | 179.5 | 178.3 | 0 | 0 | 0 | 0 | 109.2 | K1774 | S1736-K1774 PolarHBondContact N-O 2.74Å; S1736-K1774 PolarHBondContact O-N 2.85Å; S1736-K1774 VanDerWaalsContact O-O 3.13Å |
| 1737 | L | 80.4 | Confident | 64.2 | Low | 37 Ų | 37 | 59.5 Ų | 59.5 | 19% | 0.194 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 116.4 | -171 | -141.7 | 172.7 | 0 | 0 | 0 | 109.5 | F1723 L1725 V1739 V1759 I1771 S1772 I1773 | F1723-L1737 HydrophobicContact CZ-CD1 4.2Å; F1723-L1737 HydrophobicContact CZ-CD2 4.16Å; L1725-L1737 HydrophobicContact CD1-CD1 3.75Å; L1737-V1739 HydrophobicContact CD2-CG2 4.42Å; L1737-V1759 HydrophobicContact CD1-CB 4.47Å; L1737-V1759 HydrophobicContact CD1-CG1 3.7Å; L1737-V1759 HydrophobicContact CD1-CG2 3.93Å; L1737-I1771 HydrophobicContact CD2-CG2 4.22Å; L1737-S1772 WeakPolarHBondContact CA-O 3.21Å; L1737-I1773 HydrophobicContact CD1-CG1 4.36Å; L1737-I1773 HydrophobicContact CD2-CG1 3.93Å; L1737-I1773 HydrophobicContact CG-CG1 3.79Å |
| 1738 | S | 82.2 | Confident | 64.2 | Low | 38 Ų | 38 | 63.2 Ų | 63.2 | 27% | 0.266 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 151.3 | 171.4 | 62.5 | 0 | 0 | 0 | 0 | 111.7 | E1740 I1771 S1772 | S1738-E1740 PolarHBondContact OG-OE1 2.93Å; S1738-E1740 VanDerWaalsContact OG-OE1 3.13Å; S1738-I1771 CarbonylContact O-C 3.51Å; S1738-S1772 PolarHBondContact N-O 3.1Å; S1738-S1772 PolarHBondContact O-N 3.24Å; S1738-S1772 VanDerWaalsContact OG-CB 3.29Å; S1738-S1772 WeakPolarHBondContact OG-CB 3.49Å |
| 1739 | V | 80.7 | Confident | 65.3 | Low | 13 Ų | 13 | 61 Ų | 61 | 8% | 0.079 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 111.5 | 175.5 | 175.1 | 0 | 0 | 0 | 0 | 106.6 | L1737 A1745 I1747 Y1761 Y1769 T1770 I1771 | L1737-V1739 HydrophobicContact CD2-CG2 4.42Å; V1739-A1745 HydrophobicContact CB-CB 4.46Å; V1739-A1745 HydrophobicContact CG1-CB 4.02Å; V1739-I1747 HydrophobicContact CB-CD1 3.91Å; V1739-I1747 HydrophobicContact CB-CG1 4.21Å; V1739-I1747 HydrophobicContact CG2-CD1 3.72Å; V1739-I1747 HydrophobicContact CG2-CG1 3.98Å; V1739-Y1761 HydrophobicContact CG1-CD1 4.49Å; V1739-Y1761 HydrophobicContact CG1-CD2 3.73Å; V1739-Y1761 HydrophobicContact CG1-CE2 3.96Å; V1739-Y1761 HydrophobicContact CG1-CG 4.02Å; V1739-Y1761 HydrophobicContact CG2-CD1 4.04Å; V1739-Y1761 HydrophobicContact CG2-CG 4.04Å; V1739-Y1769 HydrophobicContact CG1-CD1 3.9Å; V1739-T1770 WeakPolarHBondContact CA-O 3.45Å; V1739-I1771 HydrophobicContact CG1-CG1 4.39Å; V1739-I1771 HydrophobicContact CG2-CB 4.45Å; V1739-I1771 HydrophobicContact CG2-CG1 4.01Å; V1739-I1771 HydrophobicContact CG2-CG2 4.11Å |
| 1740 | E | 66.7 | Low | 66.2 | Low | 111 Ų | 111 | 63.9 Ų | 63.9 | 52% | 0.519 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 130.4 | -172 | -72.4 | 159.9 | -159.2 | 0 | 0 | 109.2 | S1738 Y1769 T1770 | S1738-E1740 PolarHBondContact OG-OE1 2.93Å; S1738-E1740 VanDerWaalsContact OG-OE1 3.13Å; E1740-Y1769 CarbonylContact O-C 3.58Å; E1740-Y1769 VanDerWaalsContact O-CA 3.28Å; E1740-Y1769 WeakPolarHBondContact O-CA 3.27Å; E1740-T1770 PolarHBondContact N-O 3.4Å; E1740-T1770 PolarHBondContact O-N 2.88Å |
| 1741 | G | 67 | Low | 67.1 | Low | 38 Ų | 38 | 67.4 Ų | 67.4 | 39% | 0.392 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -178.9 | -173.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1743 | G1741-S1743 PolarHBondContact O-N 3.29Š|
| 1742 | P | 57.1 | Low | 68.3 | Low | 70 Ų | 70 | 68.1 Ų | 68.1 | 46% | 0.455 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -65 | -5.3 | -175.4 | 25.1 | -35.2 | 0 | 0 | 0 | 115.3 | V1765 E1768 Y1769 | P1742-V1765 HydrophobicContact CB-CG1 4.09Å; P1742-V1765 HydrophobicContact CG-CG1 4.46Å; P1742-E1768 WeakPolarHBondContact CD-O 3.38Å; P1742-Y1769 HydrophobicContact CG-CD2 4.37Å; P1742-Y1769 HydrophobicContact CG-CE2 3.69Å |
| 1743 | S | 60.9 | Low | 68.7 | Low | 17 Ų | 17 | 71.7 Ų | 71.7 | 12% | 0.119 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -137 | 154 | 155.7 | 80 | 0 | 0 | 0 | 0 | 110.4 | G1741 A1745 L1764 Y1769 | G1741-S1743 PolarHBondContact O-N 3.29Å; S1743-A1745 PolarHBondContact O-N 2.63Å; S1743-L1764 PolarHBondContact OG-N 2.87Å; S1743-Y1769 PolarHBondContact N-OH 3.22Å; S1743-Y1769 VanDerWaalsContact O-CE1 3.24Å; S1743-Y1769 WeakPolarHBondContact O-CE1 3.19Å; S1743-Y1769 PolarHBondContact OG-OH 3.14Å |
| 1744 | K | 58.7 | Low | 69.1 | Low | 196 Ų | 196 | 73.4 Ų | 73.4 | 85% | 0.852 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 117.7 | 169 | -161.7 | 173.8 | -172.7 | 176.3 | 0 | 108.9 | ||
| 1745 | A | 65.3 | Low | 69.2 | Low | 11 Ų | 11 | 72 Ų | 72 | 9% | 0.091 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -92 | 133.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | V1739 S1743 Y1761 L1762 Y1769 | V1739-A1745 HydrophobicContact CB-CB 4.46Å; V1739-A1745 HydrophobicContact CG1-CB 4.02Å; S1743-A1745 PolarHBondContact O-N 2.63Å; A1745-Y1761 HydrophobicContact CB-CD2 3.96Å; A1745-L1762 WeakPolarHBondContact CA-O 3.49Å; A1745-L1762 WeakPolarHBondContact CB-O 3.3Å; A1745-Y1769 HydrophobicContact CB-CE1 4.46Å |
| 1746 | D | 68.9 | Low | 69.4 | Low | 90 Ų | 90 | 69.8 Ų | 69.8 | 48% | 0.481 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 125.7 | 168.6 | -120.7 | 23.1 | 0 | 0 | 0 | 107.8 | Y1761 L1762 R2148 | D1746-Y1761 CarbonylContact O-C 3.57Å; D1746-Y1761 VanDerWaalsContact O-CA 3.22Å; D1746-Y1761 WeakPolarHBondContact O-CA 3.41Å; D1746-L1762 PolarHBondContact O-N 3.24Å; D1746-R2148 IonicContact OD2-CZ 2.7Å; D1746-R2148 VanDerWaalsContact OD2-CZ 3.29Å; D1746-R2148 IonicContact OD2-NH1 3.92Å; D1746-R2148 PolarHBondContact OD2-NH1 2.95Å; D1746-R2148 IonicContact OD2-NH2 3.72Å; D1746-R2148 PolarHBondContact OD2-NH2 2.85Å |
| 1747 | I | 81.2 | Confident | 69.5 | Low | 61 Ų | 61 | 67.6 Ų | 67.6 | 31% | 0.313 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 133.8 | -177.1 | -52.1 | 167.8 | 0 | 0 | 0 | 109.2 | V1739 V1759 S1760 | V1739-I1747 HydrophobicContact CB-CD1 3.91Å; V1739-I1747 HydrophobicContact CB-CG1 4.21Å; V1739-I1747 HydrophobicContact CG2-CD1 3.72Å; V1739-I1747 HydrophobicContact CG2-CG1 3.98Å; I1747-V1759 HydrophobicContact CG2-CG1 3.93Å; I1747-S1760 WeakPolarHBondContact CA-O 3.16Å |
| 1748 | Q | 73.1 | Confident | 69.5 | Low | 118 Ų | 118 | 67.8 Ų | 67.8 | 55% | 0.551 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 141.4 | 168.3 | -48.2 | 175.3 | -75.7 | 0 | 0 | 109.1 | V1759 S1760 | Q1748-V1759 VanDerWaalsContact O-CA 3.28Å; Q1748-V1759 WeakPolarHBondContact O-CA 3.46Å; Q1748-V1759 WeakPolarHBondContact O-CG1 3.36Å; Q1748-S1760 WeakPolarHBondContact CB-OG 3.07Å; Q1748-S1760 PolarHBondContact N-O 3.12Å; Q1748-S1760 PolarHBondContact O-N 3.13Å; Q1748-S1760 PolarHBondContact OE1-OG 2.83Å |
| 1749 | C | 79.5 | Confident | 69.4 | Low | 59 Ų | 59 | 66.2 Ų | 66.2 | 40% | 0.399 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 104.5 | 172.5 | -164.3 | 0 | 0 | 0 | 0 | 108.8 | C1757 S1758 V1759 | C1749-C1757 WeakPolarHBondContact CA-SG 3.37Å; C1749-C1757 WeakPolarHBondContact CB-SG 3.4Å; C1749-C1757 WeakPolarHBondContact SG-CB 3.41Å; C1749-C1757 CovalentContact SG-SG 2.05Å; C1749-C1757 PolarHBondContact SG-SG 3.1Å; C1749-S1758 CarbonylContact C-O 3.42Å; C1749-S1758 VanDerWaalsContact CA-O 3.3Å; C1749-S1758 WeakPolarHBondContact CA-O 3.43Å; C1749-V1759 HydrophobicContact CB-CG2 4.45Å |
| 1750 | D | 70.7 | Confident | 69.5 | Low | 103 Ų | 103 | 66.3 Ų | 66.3 | 55% | 0.551 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 110.9 | 177.6 | -68.6 | -56.7 | 0 | 0 | 0 | 110.6 | N1752 C1757 S1758 | D1750-N1752 PolarHBondContact O-N 3.22Å; D1750-C1757 PolarHBondContact N-SG 2.95Å; D1750-C1757 VanDerWaalsContact N-SG 3.4Å; D1750-C1757 CarbonylContact O-C 3.57Å; D1750-C1757 VanDerWaalsContact O-CA 3.28Å; D1750-C1757 WeakPolarHBondContact O-CA 3.08Å; D1750-C1757 PolarHBondContact O-SG 3.1Å; D1750-S1758 PolarHBondContact N-O 3.21Å; D1750-S1758 PolarHBondContact O-N 2.82Å |
| 1751 | D | 71.7 | Confident | 70.3 | Confident | 96 Ų | 96 | 61 Ų | 61 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 109.9 | 168.1 | 175.8 | 15 | 0 | 0 | 0 | 109.4 | K1753 | D1751-K1753 PolarHBondContact O-N 2.86Å; D1751-K1753 WeakPolarHBondContact OD1-CA 3.46Å; D1751-K1753 PolarHBondContact OD1-N 2.99Å |
| 1752 | N | 71.1 | Confident | 70.8 | Confident | 62 Ų | 62 | 62.1 Ų | 62.1 | 33% | 0.332 | 33% | 0.33 | S | S | . | . | trans | -69.8 | 3 | 178.5 | -61.1 | -50.1 | 0 | 0 | 0 | 112.5 | D1750 N1754 T1756 S1758 | D1750-N1752 PolarHBondContact O-N 3.22Å; N1752-N1754 WeakPolarHBondContact CB-OD1 3.33Å; N1752-N1754 PolarHBondContact O-N 2.95Å; N1752-T1756 WeakPolarHBondContact CB-O 3.41Å; N1752-T1756 PolarHBondContact N-O 2.97Å; N1752-T1756 PolarHBondContact ND2-O 2.83Å; N1752-T1756 PolarHBondContact ND2-OG1 3.17Å; N1752-S1758 VanDerWaalsContact CG-OG 3.28Å; N1752-S1758 PolarHBondContact ND2-N 2.91Å; N1752-S1758 PolarHBondContact ND2-OG 2.86Å; N1752-S1758 PolarHBondContact OD1-OG 2.81Å | ||
| 1753 | K | 58.3 | Low | 71.5 | Confident | 188 Ų | 188 | 58.8 Ų | 58.8 | 82% | 0.817 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 57.8 | 18.6 | 178.6 | -66.8 | 160.1 | -170.7 | 165.7 | 0 | 113.8 | D1751 | D1751-K1753 PolarHBondContact O-N 2.86Å; D1751-K1753 WeakPolarHBondContact OD1-CA 3.46Å; D1751-K1753 PolarHBondContact OD1-N 2.99Å |
| 1754 | N | 59.8 | Low | 71.7 | Confident | 71 Ų | 71 | 63.1 Ų | 63.1 | 38% | 0.38 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -122.4 | 9.5 | -178.3 | 69.1 | 12.9 | 0 | 0 | 0 | 112.2 | R1728 N1752 T1756 | R1728-N1754 PolarHBondContact NE-O 2.94Å; R1728-N1754 PolarHBondContact NH1-O 3.18Å; R1728-N1754 PolarHBondContact NH2-O 3.29Å; N1752-N1754 WeakPolarHBondContact CB-OD1 3.33Å; N1752-N1754 PolarHBondContact O-N 2.95Å; N1754-T1756 WeakPolarHBondContact OD1-CB 3.39Å; N1754-T1756 PolarHBondContact OD1-N 2.81Å; N1754-T1756 VanDerWaalsContact OD1-N 3.08Å; N1754-T1756 PolarHBondContact OD1-OG1 2.93Å |
| 1755 | G | 60.5 | Low | 71.7 | Confident | 17 Ų | 17 | 56.8 Ų | 56.8 | 18% | 0.175 | 31% | 0.307 | C | S | . | . | S | Bend | trans | 86.4 | 23.1 | -174 | 0 | 0 | 0 | 0 | 0 | 114.5 | T1727 R1728 | T1727-G1755 PolarHBondContact N-O 3.4Å; T1727-G1755 PolarHBondContact OG1-O 3.32Å; R1728-G1755 PolarHBondContact N-O 2.67Å; R1728-G1755 VanDerWaalsContact N-O 3.11Å |
| 1756 | T | 69.8 | Low | 71.8 | Confident | 15 Ų | 15 | 59.4 Ų | 59.4 | 9% | 0.092 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 146.8 | 172.2 | 67 | 0 | 0 | 0 | 0 | 110.6 | L1725 I1726 N1752 N1754 | L1725-T1756 CarbonylContact O-C 3.56Å; L1725-T1756 WeakPolarHBondContact O-CA 3.3Å; L1725-T1756 WeakPolarHBondContact O-CB 3.45Å; I1726-T1756 HydrophobicContact CG1-CG2 4.1Å; N1752-T1756 WeakPolarHBondContact CB-O 3.41Å; N1752-T1756 PolarHBondContact N-O 2.97Å; N1752-T1756 PolarHBondContact ND2-O 2.83Å; N1752-T1756 PolarHBondContact ND2-OG1 3.17Å; N1754-T1756 WeakPolarHBondContact OD1-CB 3.39Å; N1754-T1756 PolarHBondContact OD1-N 2.81Å; N1754-T1756 VanDerWaalsContact OD1-N 3.08Å; N1754-T1756 PolarHBondContact OD1-OG1 2.93Å |
| 1757 | C | 75.9 | Confident | 71.4 | Confident | 9 Ų | 9 | 56.5 Ų | 56.5 | 6% | 0.061 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 125.4 | 168.1 | -158.2 | 0 | 0 | 0 | 0 | 108.6 | T1724 L1725 C1749 D1750 | T1724-C1757 WeakPolarHBondContact CA-O 3.29Å; L1725-C1757 HydrophobicContact CB-CB 4.21Å; L1725-C1757 PolarHBondContact N-O 2.84Å; L1725-C1757 PolarHBondContact O-N 3.49Å; C1749-C1757 WeakPolarHBondContact CA-SG 3.37Å; C1749-C1757 WeakPolarHBondContact CB-SG 3.4Å; C1749-C1757 WeakPolarHBondContact SG-CB 3.41Å; C1749-C1757 CovalentContact SG-SG 2.05Å; C1749-C1757 PolarHBondContact SG-SG 3.1Å; D1750-C1757 PolarHBondContact N-SG 2.95Å; D1750-C1757 VanDerWaalsContact N-SG 3.4Å; D1750-C1757 CarbonylContact O-C 3.57Å; D1750-C1757 VanDerWaalsContact O-CA 3.28Å; D1750-C1757 WeakPolarHBondContact O-CA 3.08Å; D1750-C1757 PolarHBondContact O-SG 3.1Å |
| 1758 | S | 80.2 | Confident | 71 | Confident | 41 Ų | 41 | 58.7 Ų | 58.7 | 29% | 0.287 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 133.7 | 166 | -61.7 | 0 | 0 | 0 | 0 | 108.2 | C1749 D1750 N1752 | C1749-S1758 CarbonylContact C-O 3.42Å; C1749-S1758 VanDerWaalsContact CA-O 3.3Å; C1749-S1758 WeakPolarHBondContact CA-O 3.43Å; D1750-S1758 PolarHBondContact N-O 3.21Å; D1750-S1758 PolarHBondContact O-N 2.82Å; N1752-S1758 VanDerWaalsContact CG-OG 3.28Å; N1752-S1758 PolarHBondContact ND2-N 2.91Å; N1752-S1758 PolarHBondContact ND2-OG 2.86Å; N1752-S1758 PolarHBondContact OD1-OG 2.81Å |
| 1759 | V | 80.8 | Confident | 71.3 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.024 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 128.3 | -175.1 | -167.5 | 0 | 0 | 0 | 0 | 110.4 | N1722 F1723 L1725 L1737 I1747 Q1748 C1749 | N1722-V1759 CarbonylContact C-O 3.59Å; N1722-V1759 WeakPolarHBondContact CA-O 3.21Å; F1723-V1759 HydrophobicContact CD1-CB 4.22Å; F1723-V1759 HydrophobicContact CD1-CG1 4.44Å; F1723-V1759 HydrophobicContact CD2-CB 4.06Å; F1723-V1759 HydrophobicContact CD2-CG2 4.26Å; F1723-V1759 HydrophobicContact CE1-CB 3.91Å; F1723-V1759 HydrophobicContact CE1-CG1 3.7Å; F1723-V1759 HydrophobicContact CE2-CB 3.72Å; F1723-V1759 HydrophobicContact CE2-CG1 4.05Å; F1723-V1759 HydrophobicContact CE2-CG2 3.76Å; F1723-V1759 HydrophobicContact CG-CB 4.31Å; F1723-V1759 HydrophobicContact CZ-CB 3.65Å; F1723-V1759 HydrophobicContact CZ-CG1 3.47Å; F1723-V1759 VanDerWaalsContact CZ-CG1 3.47Å; F1723-V1759 HydrophobicContact CZ-CG2 4.07Å; F1723-V1759 PolarHBondContact N-O 3.12Å; F1723-V1759 WeakPolarHBondContact O-CA 3.45Å; F1723-V1759 PolarHBondContact O-N 3.22Å; L1725-V1759 HydrophobicContact CD1-CG2 3.98Å; L1725-V1759 HydrophobicContact CG-CG2 3.87Å; L1737-V1759 HydrophobicContact CD1-CB 4.47Å; L1737-V1759 HydrophobicContact CD1-CG1 3.7Å; L1737-V1759 HydrophobicContact CD1-CG2 3.93Å; I1747-V1759 HydrophobicContact CG2-CG1 3.93Å; Q1748-V1759 VanDerWaalsContact O-CA 3.28Å; Q1748-V1759 WeakPolarHBondContact O-CA 3.46Å; Q1748-V1759 WeakPolarHBondContact O-CG1 3.36Å; C1749-V1759 HydrophobicContact CB-CG2 4.45Å |
| 1760 | S | 81.9 | Confident | 71.3 | Confident | 15 Ų | 15 | 52.4 Ų | 52.4 | 11% | 0.105 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 153 | 168.8 | 72.1 | 0 | 0 | 0 | 0 | 109.8 | S1721 N1722 I1747 Q1748 | S1721-S1760 CarbonylContact O-C 3.56Å; S1721-S1760 WeakPolarHBondContact O-CA 3.49Å; N1722-S1760 WeakPolarHBondContact OD1-CB 3.22Å; I1747-S1760 WeakPolarHBondContact CA-O 3.16Å; Q1748-S1760 WeakPolarHBondContact CB-OG 3.07Å; Q1748-S1760 PolarHBondContact N-O 3.12Å; Q1748-S1760 PolarHBondContact O-N 3.13Å; Q1748-S1760 PolarHBondContact OE1-OG 2.83Å |
| 1761 | Y | 84.4 | Confident | 72 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 145.3 | 160.6 | 67.8 | -90.7 | 0 | 0 | 0 | 111.3 | G1711 P1720 S1721 F1723 V1739 A1745 D1746 P1763 I1771 A1787 I1789 | G1711-Y1761 VanDerWaalsContact O-CE1 3.25Å; G1711-Y1761 WeakPolarHBondContact O-CE1 3.31Å; G1711-Y1761 PolarHBondContact O-OH 2.74Å; P1720-Y1761 WeakPolarHBondContact CA-O 3.39Å; S1721-Y1761 VanDerWaalsContact CB-CE1 3.5Å; S1721-Y1761 PolarHBondContact N-O 2.86Å; S1721-Y1761 WeakPolarHBondContact O-CD1 3.49Å; S1721-Y1761 PolarHBondContact O-N 3.1Å; F1723-Y1761 HydrophobicContact CD1-CE1 4.47Å; F1723-Y1761 HydrophobicContact CE1-CD1 4.19Å; F1723-Y1761 HydrophobicContact CE1-CE1 4.33Å; V1739-Y1761 HydrophobicContact CG1-CD1 4.49Å; V1739-Y1761 HydrophobicContact CG1-CD2 3.73Å; V1739-Y1761 HydrophobicContact CG1-CE2 3.96Å; V1739-Y1761 HydrophobicContact CG1-CG 4.02Å; V1739-Y1761 HydrophobicContact CG2-CD1 4.04Å; V1739-Y1761 HydrophobicContact CG2-CG 4.04Å; A1745-Y1761 HydrophobicContact CB-CD2 3.96Å; D1746-Y1761 CarbonylContact O-C 3.57Å; D1746-Y1761 VanDerWaalsContact O-CA 3.22Å; D1746-Y1761 WeakPolarHBondContact O-CA 3.41Å; Y1761-P1763 HydrophobicContact CD2-CB 4.47Å; Y1761-P1763 HydrophobicContact CD2-CG 4.32Å; Y1761-P1763 HydrophobicContact CE2-CB 4.32Å; Y1761-P1763 HydrophobicContact CE2-CG 4.08Å; Y1761-P1763 VanDerWaalsContact O-CD 3.22Å; Y1761-P1763 WeakPolarHBondContact O-CD 3.19Å; Y1761-I1771 HydrophobicContact CE1-CD1 4.4Å; Y1761-I1771 HydrophobicContact CE1-CG1 4.01Å; Y1761-A1787 VanDerWaalsContact OH-CB 3.29Å; Y1761-A1787 WeakPolarHBondContact OH-CB 3.23Å; Y1761-I1789 HydrophobicContact CE2-CD1 4.48Å |
| 1762 | L | 77.7 | Confident | 72.4 | Confident | 62 Ų | 62 | 43.6 Ų | 43.6 | 33% | 0.325 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 97 | 179.9 | -176 | 63.1 | 0 | 0 | 0 | 111.3 | A1745 D1746 L1764 | A1745-L1762 WeakPolarHBondContact CA-O 3.49Å; A1745-L1762 WeakPolarHBondContact CB-O 3.3Å; D1746-L1762 PolarHBondContact O-N 3.24Å; L1762-L1764 HydrophobicContact CD2-CD2 4.06Å; L1762-L1764 HydrophobicContact CG-CD2 3.98Å |
| 1763 | P | 71.4 | Confident | 73.1 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -76.8 | 132.2 | 172.2 | 32.9 | -33.2 | 0 | 0 | 0 | 110 | A1717 G1718 Y1761 Y1769 I1789 | A1717-P1763 CarbonylContact C-O 3.54Å; A1717-P1763 WeakPolarHBondContact CA-O 3.13Å; G1718-P1763 PolarHBondContact N-O 2.95Å; Y1761-P1763 HydrophobicContact CD2-CB 4.47Å; Y1761-P1763 HydrophobicContact CD2-CG 4.32Å; Y1761-P1763 HydrophobicContact CE2-CB 4.32Å; Y1761-P1763 HydrophobicContact CE2-CG 4.08Å; Y1761-P1763 VanDerWaalsContact O-CD 3.22Å; Y1761-P1763 WeakPolarHBondContact O-CD 3.19Å; P1763-Y1769 HydrophobicContact CB-CD1 4.35Å; P1763-Y1769 HydrophobicContact CB-CE1 3.71Å; P1763-Y1769 HydrophobicContact CB-CE2 3.93Å; P1763-Y1769 VanDerWaalsContact CB-CZ 3.48Å; P1763-I1789 HydrophobicContact CB-CD1 4.4Å; P1763-I1789 HydrophobicContact CB-CG1 4.01Å; P1763-I1789 HydrophobicContact CB-CG2 3.98Å; P1763-I1789 HydrophobicContact CG-CD1 3.88Å; P1763-I1789 HydrophobicContact CG-CG1 3.99Å; P1763-I1789 HydrophobicContact CG-CG2 3.81Å | ||
| 1764 | L | 65.3 | Low | 73.9 | Confident | 108 Ų | 108 | 34.6 Ų | 34.6 | 57% | 0.565 | 20% | 0.203 | S | C | * | . | trans | -102.1 | -13.5 | -176.2 | -62 | 177.1 | 0 | 0 | 0 | 113.3 | S1743 L1762 | S1743-L1764 PolarHBondContact OG-N 2.87Å; L1762-L1764 HydrophobicContact CD2-CD2 4.06Å; L1762-L1764 HydrophobicContact CG-CD2 3.98Å | ||
| 1765 | V | 57.8 | Low | 74.5 | Confident | 62 Ų | 62 | 32.6 Ų | 32.6 | 38% | 0.376 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -130.4 | 139.4 | -177.2 | 176 | 0 | 0 | 0 | 0 | 109 | P1742 Y1769 | P1742-V1765 HydrophobicContact CB-CG1 4.09Å; P1742-V1765 HydrophobicContact CG-CG1 4.46Å; V1765-Y1769 VanDerWaalsContact O-CE2 3.32Å; V1765-Y1769 WeakPolarHBondContact O-CE2 3.37Å; V1765-Y1769 PolarHBondContact O-OH 2.83Å |
| 1766 | P | 67.2 | Low | 74.6 | Confident | 66 Ų | 66 | 36.4 Ų | 36.4 | 43% | 0.429 | 21% | 0.205 | S | C | . | . | trans | -70.9 | 149 | 176.2 | 29.1 | -35.4 | 0 | 0 | 0 | 112.5 | I1789 | P1766-I1789 CarbonylContact C-O 3.57Å; P1766-I1789 VanDerWaalsContact CA-O 3.31Å; P1766-I1789 WeakPolarHBondContact CA-O 3.45Å; P1766-I1789 WeakPolarHBondContact CB-O 3.3Å | ||
| 1767 | G | 60.8 | Low | 74.5 | Confident | 30 Ų | 30 | 42 Ų | 42 | 31% | 0.309 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 144.1 | -159.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1789 | G1767-I1789 PolarHBondContact N-O 3.45Å; G1767-I1789 PolarHBondContact O-N 3.22Å |
| 1768 | E | 74.1 | Confident | 73.9 | Confident | 106 Ų | 106 | 47.2 Ų | 47.2 | 50% | 0.495 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 131.8 | -175.7 | -168.9 | 169.4 | 145.2 | 0 | 0 | 111.3 | P1742 T1786 H1788 | P1742-E1768 WeakPolarHBondContact CD-O 3.38Å; E1768-T1786 HydrophobicContact CG-CG2 3.53Å; E1768-T1786 WeakPolarHBondContact OE1-CG2 3.39Å; E1768-H1788 IonicContact OE2-CE1 2.72Å; E1768-H1788 PolarHBondContact OE2-CE1 3.49Å; E1768-H1788 VanDerWaalsContact OE2-CE1 3.22Å; E1768-H1788 IonicContact OE2-ND1 2.64Å |
| 1769 | Y | 78.6 | Confident | 73.7 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 128.8 | -177.5 | -75.9 | -108.8 | 0 | 0 | 0 | 110.1 | V1739 E1740 P1742 S1743 A1745 P1763 V1765 T1786 A1787 I1789 | V1739-Y1769 HydrophobicContact CG1-CD1 3.9Å; E1740-Y1769 CarbonylContact O-C 3.58Å; E1740-Y1769 VanDerWaalsContact O-CA 3.28Å; E1740-Y1769 WeakPolarHBondContact O-CA 3.27Å; P1742-Y1769 HydrophobicContact CG-CD2 4.37Å; P1742-Y1769 HydrophobicContact CG-CE2 3.69Å; S1743-Y1769 PolarHBondContact N-OH 3.22Å; S1743-Y1769 VanDerWaalsContact O-CE1 3.24Å; S1743-Y1769 WeakPolarHBondContact O-CE1 3.19Å; S1743-Y1769 PolarHBondContact OG-OH 3.14Å; A1745-Y1769 HydrophobicContact CB-CE1 4.46Å; P1763-Y1769 HydrophobicContact CB-CD1 4.35Å; P1763-Y1769 HydrophobicContact CB-CE1 3.71Å; P1763-Y1769 HydrophobicContact CB-CE2 3.93Å; P1763-Y1769 VanDerWaalsContact CB-CZ 3.48Å; V1765-Y1769 VanDerWaalsContact O-CE2 3.32Å; V1765-Y1769 WeakPolarHBondContact O-CE2 3.37Å; V1765-Y1769 PolarHBondContact O-OH 2.83Å; Y1769-T1786 CarbonylContact O-C 3.51Å; Y1769-T1786 WeakPolarHBondContact O-CA 3.48Å; Y1769-A1787 PolarHBondContact N-O 3.08Å; Y1769-A1787 PolarHBondContact O-N 3.32Å; Y1769-I1789 HydrophobicContact CD2-CB 4.05Å; Y1769-I1789 HydrophobicContact CD2-CG1 3.29Å; Y1769-I1789 HydrophobicContact CE2-CB 3.94Å; Y1769-I1789 HydrophobicContact CE2-CG1 3.57Å; Y1769-I1789 HydrophobicContact CE2-CG2 4.47Å; Y1769-I1789 HydrophobicContact CG-CG1 4.06Å |
| 1770 | T | 80.2 | Confident | 73.6 | Confident | 46 Ų | 46 | 49.5 Ų | 49.5 | 28% | 0.282 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 116.8 | 179.1 | -54.7 | 0 | 0 | 0 | 0 | 109.7 | V1739 E1740 P1784 F1785 | V1739-T1770 WeakPolarHBondContact CA-O 3.45Å; E1740-T1770 PolarHBondContact N-O 3.4Å; E1740-T1770 PolarHBondContact O-N 2.88Å; T1770-P1784 HydrophobicContact CG2-CB 3.59Å; T1770-P1784 HydrophobicContact CG2-CG 4.3Å; T1770-F1785 CarbonylContact C-O 3.57Å; T1770-F1785 WeakPolarHBondContact CA-O 3.34Å |
| 1771 | I | 84.8 | Confident | 72.5 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 98.7 | -179.5 | -56.5 | 89.7 | 0 | 0 | 0 | 109.1 | L1712 F1723 L1737 S1738 V1739 Y1761 I1773 P1784 F1785 A1787 | L1712-I1771 HydrophobicContact CD2-CB 4.38Å; L1712-I1771 HydrophobicContact CD2-CG2 3.99Å; F1723-I1771 HydrophobicContact CE1-CG2 3.99Å; F1723-I1771 HydrophobicContact CZ-CG2 3.87Å; L1737-I1771 HydrophobicContact CD2-CG2 4.22Å; S1738-I1771 CarbonylContact O-C 3.51Å; V1739-I1771 HydrophobicContact CG1-CG1 4.39Å; V1739-I1771 HydrophobicContact CG2-CB 4.45Å; V1739-I1771 HydrophobicContact CG2-CG1 4.01Å; V1739-I1771 HydrophobicContact CG2-CG2 4.11Å; Y1761-I1771 HydrophobicContact CE1-CD1 4.4Å; Y1761-I1771 HydrophobicContact CE1-CG1 4.01Å; I1771-I1773 HydrophobicContact CG2-CD1 3.85Å; I1771-I1773 HydrophobicContact CG2-CG1 4.08Å; I1771-I1773 PolarHBondContact O-N 2.78Å; I1771-P1784 WeakPolarHBondContact O-CA 3.1Å; I1771-F1785 HydrophobicContact CB-CB 4.31Å; I1771-F1785 PolarHBondContact N-O 3.01Å; I1771-F1785 PolarHBondContact O-N 2.79Å; I1771-A1787 HydrophobicContact CD1-CB 3.6Å |
| 1772 | S | 80.7 | Confident | 71.5 | Confident | 14 Ų | 14 | 52.3 Ų | 52.3 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 100.5 | 178 | -88.5 | 0 | 0 | 0 | 0 | 110.5 | L1737 S1738 | L1737-S1772 WeakPolarHBondContact CA-O 3.21Å; S1738-S1772 PolarHBondContact N-O 3.1Å; S1738-S1772 PolarHBondContact O-N 3.24Å; S1738-S1772 VanDerWaalsContact OG-CB 3.29Å; S1738-S1772 WeakPolarHBondContact OG-CB 3.49Å |
| 1773 | I | 84.9 | Confident | 71.1 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 123.6 | 169.7 | -59.2 | 136.5 | 0 | 0 | 0 | 109.1 | A1707 L1712 F1723 L1725 L1735 L1737 I1771 I1780 S1783 F1785 | A1707-I1773 HydrophobicContact CB-CD1 4.03Å; L1712-I1773 HydrophobicContact CD2-CD1 3.85Å; F1723-I1773 HydrophobicContact CE2-CD1 3.7Å; F1723-I1773 HydrophobicContact CE2-CG1 4.32Å; F1723-I1773 HydrophobicContact CZ-CD1 3.94Å; F1723-I1773 HydrophobicContact CZ-CG1 4.33Å; L1725-I1773 HydrophobicContact CD1-CG2 4.22Å; L1725-I1773 HydrophobicContact CD2-CD1 4Å; L1725-I1773 HydrophobicContact CD2-CG1 4.25Å; L1725-I1773 HydrophobicContact CD2-CG2 3.93Å; L1735-I1773 HydrophobicContact CD1-CG2 4.25Å; L1737-I1773 HydrophobicContact CD1-CG1 4.36Å; L1737-I1773 HydrophobicContact CD2-CG1 3.93Å; L1737-I1773 HydrophobicContact CG-CG1 3.79Å; I1771-I1773 HydrophobicContact CG2-CD1 3.85Å; I1771-I1773 HydrophobicContact CG2-CG1 4.08Å; I1771-I1773 PolarHBondContact O-N 2.78Å; I1773-I1780 HydrophobicContact CB-CD1 3.84Å; I1773-I1780 HydrophobicContact CB-CG1 3.92Å; I1773-I1780 HydrophobicContact CD1-CD1 4.26Å; I1773-I1780 HydrophobicContact CG2-CD1 3.53Å; I1773-I1780 HydrophobicContact CG2-CG1 3.85Å; I1773-I1780 HydrophobicContact CG2-CG2 4.12Å; I1773-I1780 PolarHBondContact O-N 2.78Å; I1773-S1783 PolarHBondContact N-OG 2.86Å; I1773-S1783 WeakPolarHBondContact O-CB 3.41Å; I1773-S1783 PolarHBondContact O-OG 2.94Å; I1773-F1785 HydrophobicContact CD1-CD2 3.83Å; I1773-F1785 HydrophobicContact CD1-CE2 3.76Å |
| 1774 | K | 75.2 | Confident | 71.3 | Confident | 61 Ų | 61 | 53.3 Ų | 53.3 | 27% | 0.265 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 148.7 | 177.2 | -69.7 | 176.3 | 174.6 | -178.5 | 0 | 110.9 | S1736 N1778 H1779 | S1736-K1774 PolarHBondContact N-O 2.74Å; S1736-K1774 PolarHBondContact O-N 2.85Å; S1736-K1774 VanDerWaalsContact O-O 3.13Å; K1774-N1778 CarbonylContact C-O 3.5Å; K1774-N1778 WeakPolarHBondContact CA-O 3.36Å; K1774-H1779 WeakPolarHBondContact CE-NE2 3.42Å |
| 1775 | F | 71.5 | Confident | 71.8 | Confident | 29 Ų | 29 | 49.2 Ų | 49.2 | 13% | 0.127 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 125.1 | 171.6 | 178.5 | -103 | 0 | 0 | 0 | 109.6 | V1705 A1730 G1731 G1733 G1734 L1735 E1777 N1778 I1780 | V1705-F1775 HydrophobicContact CB-CB 4.15Å; V1705-F1775 HydrophobicContact CB-CG 4.28Å; V1705-F1775 HydrophobicContact CG2-CB 3.89Å; V1705-F1775 HydrophobicContact CG2-CD1 3.94Å; V1705-F1775 HydrophobicContact CG2-CD2 3.6Å; V1705-F1775 HydrophobicContact CG2-CE1 4.39Å; V1705-F1775 HydrophobicContact CG2-CE2 4.09Å; V1705-F1775 HydrophobicContact CG2-CG 3.51Å; V1705-F1775 HydrophobicContact CG2-CZ 4.46Å; A1730-F1775 HydrophobicContact CB-CE1 3.9Å; A1730-F1775 HydrophobicContact CB-CE2 4.04Å; A1730-F1775 HydrophobicContact CB-CZ 3.57Å; G1731-F1775 VanDerWaalsContact O-CZ 3.29Å; G1731-F1775 WeakPolarHBondContact O-CZ 3.3Å; G1733-F1775 WeakPolarHBondContact O-CE2 3.28Å; G1734-F1775 WeakPolarHBondContact O-CA 3.49Å; L1735-F1775 HydrophobicContact CB-CD2 4.44Å; L1735-F1775 HydrophobicContact CD1-CD2 4.49Å; F1775-E1777 PolarHBondContact O-N 3.34Å; F1775-N1778 PolarHBondContact N-O 2.83Å; F1775-N1778 PolarHBondContact O-N 2.75Å; F1775-I1780 HydrophobicContact CB-CG2 4.08Å |
| 1776 | M | 64.4 | Low | 72.7 | Confident | 96 Ų | 96 | 49.2 Ų | 49.2 | 47% | 0.473 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 55.3 | -168.2 | -64.3 | -173 | 176 | 0 | 0 | 111.9 | G1734 N1778 | G1734-M1776 PolarHBondContact O-N 3Å; M1776-N1778 PolarHBondContact O-N 3.45Å; M1776-N1778 PolarHBondContact O-ND2 2.84Å |
| 1777 | E | 67.7 | Low | 73.1 | Confident | 134 Ų | 134 | 46 Ų | 46 | 63% | 0.626 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | -7.5 | -176 | -60.3 | -49.9 | 129.4 | 0 | 0 | 117.6 | F1775 | F1775-E1777 PolarHBondContact O-N 3.34Š|
| 1778 | N | 63 | Low | 73.7 | Confident | 117 Ų | 117 | 50 Ų | 50 | 63% | 0.626 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 139.5 | -179.2 | -69.9 | -90.8 | 0 | 0 | 0 | 110.8 | K1774 F1775 M1776 | K1774-N1778 CarbonylContact C-O 3.5Å; K1774-N1778 WeakPolarHBondContact CA-O 3.36Å; F1775-N1778 PolarHBondContact N-O 2.83Å; F1775-N1778 PolarHBondContact O-N 2.75Å; M1776-N1778 PolarHBondContact O-N 3.45Å; M1776-N1778 PolarHBondContact O-ND2 2.84Å |
| 1779 | H | 76 | Confident | 73.7 | Confident | 85 Ų | 85 | 45.4 Ų | 45.4 | 39% | 0.394 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 137.4 | 173.8 | -75.4 | -96.5 | 0 | 0 | 0 | 110.9 | K1774 S1783 | K1774-H1779 WeakPolarHBondContact CE-NE2 3.42Å; H1779-S1783 PolarHBondContact ND1-OG 3.27Å |
| 1780 | I | 78.4 | Confident | 72.7 | Confident | 9 Ų | 9 | 48.2 Ų | 48.2 | 5% | 0.046 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 161.7 | 173.3 | 67.1 | 162.2 | 0 | 0 | 0 | 111.4 | V1705 A1707 L1725 I1773 F1775 G1782 S1783 F1785 | V1705-I1780 HydrophobicContact CB-CG2 3.81Å; V1705-I1780 HydrophobicContact CG1-CG2 3.98Å; V1705-I1780 WeakPolarHBondContact O-CB 3.34Å; A1707-I1780 HydrophobicContact CB-CD1 3.6Å; L1725-I1780 HydrophobicContact CD2-CD1 4.38Å; I1773-I1780 HydrophobicContact CB-CD1 3.84Å; I1773-I1780 HydrophobicContact CB-CG1 3.92Å; I1773-I1780 HydrophobicContact CD1-CD1 4.26Å; I1773-I1780 HydrophobicContact CG2-CD1 3.53Å; I1773-I1780 HydrophobicContact CG2-CG1 3.85Å; I1773-I1780 HydrophobicContact CG2-CG2 4.12Å; I1773-I1780 PolarHBondContact O-N 2.78Å; F1775-I1780 HydrophobicContact CB-CG2 4.08Å; I1780-G1782 PolarHBondContact O-N 2.96Å; I1780-G1782 VanDerWaalsContact O-N 3.11Å; I1780-S1783 VanDerWaalsContact O-CB 3.27Å; I1780-S1783 WeakPolarHBondContact O-CB 3.39Å; I1780-S1783 PolarHBondContact O-N 2.61Å; I1780-F1785 HydrophobicContact CD1-CE2 4.1Å; I1780-F1785 HydrophobicContact CD1-CZ 4.47Å; I1780-F1785 HydrophobicContact CG1-CE2 4.26Å |
| 1781 | P | 59.1 | Low | 71.3 | Confident | 31 Ų | 31 | 48.4 Ų | 48.4 | 20% | 0.201 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 118.8 | 176 | -26.2 | 35.6 | 0 | 0 | 0 | 112.5 | Y1696 I1704 | Y1696-P1781 HydrophobicContact CD1-CB 3.68Å; Y1696-P1781 HydrophobicContact CD2-CB 4.4Å; Y1696-P1781 HydrophobicContact CE1-CB 3.81Å; Y1696-P1781 HydrophobicContact CG-CB 3.99Å; I1704-P1781 HydrophobicContact CG2-CG 3.68Å |
| 1782 | G | 62.6 | Low | 69.2 | Low | 43 Ų | 43 | 58.1 Ų | 58.1 | 44% | 0.443 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.6 | -9.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | I1780 P1784 F1785 | I1780-G1782 PolarHBondContact O-N 2.96Å; I1780-G1782 VanDerWaalsContact O-N 3.11Å; G1782-P1784 CarbonylContact O-C 3.56Å; G1782-F1785 VanDerWaalsContact C-CZ 3.44Å; G1782-F1785 WeakPolarHBondContact O-CD1 3.28Å; G1782-F1785 WeakPolarHBondContact O-CD2 2.99Å; G1782-F1785 WeakPolarHBondContact O-CE1 3.11Å; G1782-F1785 WeakPolarHBondContact O-CG 3.5Å |
| 1783 | S | 69.9 | Low | 66.7 | Low | 16 Ų | 16 | 62.5 Ų | 62.5 | 11% | 0.112 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -87.1 | 141.8 | 175.7 | 176.7 | 0 | 0 | 0 | 0 | 111.7 | I1773 H1779 I1780 | I1773-S1783 PolarHBondContact N-OG 2.86Å; I1773-S1783 WeakPolarHBondContact O-CB 3.41Å; I1773-S1783 PolarHBondContact O-OG 2.94Å; H1779-S1783 PolarHBondContact ND1-OG 3.27Å; I1780-S1783 VanDerWaalsContact O-CB 3.27Å; I1780-S1783 WeakPolarHBondContact O-CB 3.39Å; I1780-S1783 PolarHBondContact O-N 2.61Å |
| 1784 | P | 75.9 | Confident | 64.2 | Low | 67 Ų | 67 | 70.7 Ų | 70.7 | 44% | 0.435 | 39% | 0.387 | S | S | . | . | S | Bend | cis | -70.2 | 139.3 | -5.9 | 29.9 | -34.4 | 0 | 0 | 0 | 112.5 | T1770 I1771 G1782 | T1770-P1784 HydrophobicContact CG2-CB 3.59Å; T1770-P1784 HydrophobicContact CG2-CG 4.3Å; I1771-P1784 WeakPolarHBondContact O-CA 3.1Å; G1782-P1784 CarbonylContact O-C 3.56Å |
| 1785 | F | 75 | Confident | 62.3 | Low | 21 Ų | 21 | 78.3 Ų | 78.3 | 9% | 0.092 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 164.3 | 172.9 | -58.7 | -98.2 | 0 | 0 | 0 | 110.1 | A1707 L1712 T1770 I1771 I1773 I1780 G1782 | A1707-F1785 HydrophobicContact CB-CE2 4.11Å; A1707-F1785 HydrophobicContact CB-CZ 3.99Å; L1712-F1785 HydrophobicContact CB-CB 4.12Å; L1712-F1785 HydrophobicContact CB-CD1 4.07Å; L1712-F1785 HydrophobicContact CB-CG 4.16Å; L1712-F1785 HydrophobicContact CD1-CD1 4.11Å; L1712-F1785 HydrophobicContact CD1-CE1 4.03Å; L1712-F1785 HydrophobicContact CD1-CG 4.41Å; L1712-F1785 HydrophobicContact CD1-CZ 4.26Å; L1712-F1785 HydrophobicContact CD2-CB 4.2Å; L1712-F1785 HydrophobicContact CD2-CD1 4.48Å; L1712-F1785 HydrophobicContact CD2-CD2 3.96Å; L1712-F1785 HydrophobicContact CD2-CE2 4.46Å; L1712-F1785 HydrophobicContact CD2-CG 3.97Å; L1712-F1785 HydrophobicContact CG-CD1 4.45Å; L1712-F1785 HydrophobicContact CG-CG 4.4Å; T1770-F1785 CarbonylContact C-O 3.57Å; T1770-F1785 WeakPolarHBondContact CA-O 3.34Å; I1771-F1785 HydrophobicContact CB-CB 4.31Å; I1771-F1785 PolarHBondContact N-O 3.01Å; I1771-F1785 PolarHBondContact O-N 2.79Å; I1773-F1785 HydrophobicContact CD1-CD2 3.83Å; I1773-F1785 HydrophobicContact CD1-CE2 3.76Å; I1780-F1785 HydrophobicContact CD1-CE2 4.1Å; I1780-F1785 HydrophobicContact CD1-CZ 4.47Å; I1780-F1785 HydrophobicContact CG1-CE2 4.26Å; G1782-F1785 VanDerWaalsContact C-CZ 3.44Å; G1782-F1785 WeakPolarHBondContact O-CD1 3.28Å; G1782-F1785 WeakPolarHBondContact O-CD2 2.99Å; G1782-F1785 WeakPolarHBondContact O-CE1 3.11Å; G1782-F1785 WeakPolarHBondContact O-CG 3.5Å |
| 1786 | T | 76.8 | Confident | 60.4 | Low | 62 Ų | 62 | 82.3 Ų | 82.3 | 38% | 0.38 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 122.1 | -176.7 | -58.5 | 0 | 0 | 0 | 0 | 110.7 | L1712 S1713 E1768 Y1769 | L1712-T1786 CarbonylContact O-C 3.57Å; S1713-T1786 WeakPolarHBondContact CA-O 3.39Å; E1768-T1786 HydrophobicContact CG-CG2 3.53Å; E1768-T1786 WeakPolarHBondContact OE1-CG2 3.39Å; Y1769-T1786 CarbonylContact O-C 3.51Å; Y1769-T1786 WeakPolarHBondContact O-CA 3.48Å |
| 1787 | A | 76.1 | Confident | 59.2 | Low | 0 Ų | 0 | 80.3 Ų | 80.3 | 0% | 0 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 136.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | G1711 S1713 Y1761 Y1769 I1771 | G1711-A1787 WeakPolarHBondContact O-CB 3.5Å; S1713-A1787 VanDerWaalsContact C-CA 3.43Å; S1713-A1787 WeakPolarHBondContact O-CA 3.29Å; Y1761-A1787 VanDerWaalsContact OH-CB 3.29Å; Y1761-A1787 WeakPolarHBondContact OH-CB 3.23Å; Y1769-A1787 PolarHBondContact N-O 3.08Å; Y1769-A1787 PolarHBondContact O-N 3.32Å; I1771-A1787 HydrophobicContact CD1-CB 3.6Å |
| 1788 | H | 73.6 | Confident | 58.2 | Low | 113 Ų | 113 | 79.6 Ų | 79.6 | 52% | 0.523 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 128.5 | 175.5 | -56.5 | -70.8 | 0 | 0 | 0 | 111.7 | S1713 C1714 G1715 E1768 | S1713-H1788 PolarHBondContact O-N 2.92Å; S1713-H1788 VanDerWaalsContact O-N 3.16Å; C1714-H1788 VanDerWaalsContact CA-O 3.31Å; C1714-H1788 WeakPolarHBondContact CA-O 3.34Å; G1715-H1788 PolarHBondContact N-O 2.84Å; G1715-H1788 VanDerWaalsContact N-O 3.12Å; E1768-H1788 IonicContact OE2-CE1 2.72Å; E1768-H1788 PolarHBondContact OE2-CE1 3.49Å; E1768-H1788 VanDerWaalsContact OE2-CE1 3.22Å; E1768-H1788 IonicContact OE2-ND1 2.64Å |
| 1789 | I | 73.9 | Confident | 57.3 | Low | 9 Ų | 9 | 75.8 Ų | 75.8 | 5% | 0.046 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 133.2 | -174.5 | -52.9 | -54.8 | 0 | 0 | 0 | 110.3 | G1715 R1716 A1717 Y1761 P1763 P1766 G1767 Y1769 | G1715-I1789 VanDerWaalsContact CA-CD1 3.49Å; G1715-I1789 WeakPolarHBondContact O-CA 3.23Å; R1716-I1789 VanDerWaalsContact C-CG2 3.44Å; A1717-I1789 HydrophobicContact CB-CG2 4.17Å; A1717-I1789 VanDerWaalsContact N-CG2 3.33Å; Y1761-I1789 HydrophobicContact CE2-CD1 4.48Å; P1763-I1789 HydrophobicContact CB-CD1 4.4Å; P1763-I1789 HydrophobicContact CB-CG1 4.01Å; P1763-I1789 HydrophobicContact CB-CG2 3.98Å; P1763-I1789 HydrophobicContact CG-CD1 3.88Å; P1763-I1789 HydrophobicContact CG-CG1 3.99Å; P1763-I1789 HydrophobicContact CG-CG2 3.81Å; P1766-I1789 CarbonylContact C-O 3.57Å; P1766-I1789 VanDerWaalsContact CA-O 3.31Å; P1766-I1789 WeakPolarHBondContact CA-O 3.45Å; P1766-I1789 WeakPolarHBondContact CB-O 3.3Å; G1767-I1789 PolarHBondContact N-O 3.45Å; G1767-I1789 PolarHBondContact O-N 3.22Å; Y1769-I1789 HydrophobicContact CD2-CB 4.05Å; Y1769-I1789 HydrophobicContact CD2-CG1 3.29Å; Y1769-I1789 HydrophobicContact CE2-CB 3.94Å; Y1769-I1789 HydrophobicContact CE2-CG1 3.57Å; Y1769-I1789 HydrophobicContact CE2-CG2 4.47Å; Y1769-I1789 HydrophobicContact CG-CG1 4.06Å |
| 1790 | A | 57.2 | Low | 55.8 | Low | 60 Ų | 60 | 75.5 Ų | 75.5 | 50% | 0.496 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 161.4 | -179 | 0 | 0 | 0 | 0 | 0 | 113.7 | G1715 R1716 A1717 | G1715-A1790 PolarHBondContact O-N 3.11Å; R1716-A1790 CarbonylContact C-O 3.54Å; R1716-A1790 WeakPolarHBondContact CA-O 3.33Å; A1717-A1790 PolarHBondContact N-O 2.74Å |
| 1791 | G | 51.4 | Low | 54.2 | Low | 49 Ų | 49 | 77 Ų | 77 | 51% | 0.505 | 42% | 0.417 | S | S | . | . | trans | -162.4 | 170.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1792 | E | 39 | Very low | 53.5 | Low | 205 Ų | 205 | 77.9 Ų | 77.9 | 96% | 0.958 | 43% | 0.432 | S | S | * | . | trans | -102.7 | -175.1 | -176.4 | -67.1 | -164.5 | 146.1 | 0 | 0 | 114.1 | ||||
| 1793 | S | 29.7 | Very low | 52.7 | Low | 106 Ų | 106 | 79.6 Ų | 79.6 | 74% | 0.741 | 43% | 0.434 | S | S | * | . | trans | -116.1 | 138.4 | -149.5 | -68.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1794 | R | 31.3 | Very low | 51.7 | Low | 171 Ų | 171 | 82 Ų | 82 | 65% | 0.645 | 45% | 0.448 | S | S | * | . | trans | 80 | 135 | 152.2 | -67 | 169 | 176 | -131.7 | -21.7 | 121.3 | F1796 E1921 | R1794-F1796 HydrophobicContact CB-CE2 4.23Å; R1794-E1921 IonicContact CZ-OE2 3.15Å; R1794-E1921 VanDerWaalsContact CZ-OE2 3.28Å; R1794-E1921 IonicContact NE-OE2 3.91Å; R1794-E1921 IonicContact NH1-OE2 2.88Å; R1794-E1921 IonicContact NH2-OE2 2.71Å; R1794-E1921 PolarHBondContact NH2-OE2 3.01Å | ||
| 1795 | R | 35.7 | Very low | 50.5 | Low | 221 Ų | 221 | 80.9 Ų | 80.9 | 83% | 0.834 | 44% | 0.442 | S | S | * | . | trans | -139.1 | 156.9 | 152.1 | -70.9 | -174.2 | 174.7 | -163.4 | -4.3 | 108 | ||||
| 1796 | F | 31 | Very low | 49.7 | Very low | 114 Ų | 114 | 84.7 Ų | 84.7 | 50% | 0.5 | 46% | 0.46 | S | S | . | . | trans | -129.2 | 159.7 | -173 | -65.2 | -90.7 | 0 | 0 | 0 | 112.7 | R1794 E1921 | R1794-F1796 HydrophobicContact CB-CE2 4.23Å; F1796-E1921 HydrophobicContact CD1-CG 3.82Å; F1796-E1921 HydrophobicContact CE1-CG 3.79Å | ||
| 1797 | N | 40.7 | Very low | 49 | Very low | 54 Ų | 54 | 84.9 Ų | 84.9 | 29% | 0.289 | 46% | 0.457 | S | S | . | . | trans | -128.7 | 135.5 | 167.1 | -159.1 | 13.1 | 0 | 0 | 0 | 109 | S1919 A1926 | N1797-S1919 WeakPolarHBondContact O-CA 3.38Å; N1797-S1919 WeakPolarHBondContact O-CB 3.22Å; N1797-A1926 PolarHBondContact ND2-O 2.79Å | ||
| 1798 | Q | 46.5 | Very low | 48.3 | Very low | 118 Ų | 118 | 88.3 Ų | 88.3 | 55% | 0.551 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 141.4 | -171.8 | -92.6 | -180 | 18.4 | 0 | 0 | 113.3 | L1918 | Q1798-L1918 CarbonylContact C-O 3.31Å; Q1798-L1918 WeakPolarHBondContact CA-O 3.46Å |
| 1799 | V | 43.7 | Very low | 48 | Very low | 38 Ų | 38 | 83.1 Ų | 83.1 | 23% | 0.23 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 129.2 | 175.4 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | V1801 N1917 L1918 I1928 C1930 | V1799-V1801 HydrophobicContact CG1-CG2 4.21Å; V1799-N1917 WeakPolarHBondContact O-CA 3.41Å; V1799-L1918 HydrophobicContact CB-CB 4.44Å; V1799-L1918 PolarHBondContact N-O 3.04Å; V1799-L1918 PolarHBondContact O-N 2.81Å; V1799-I1928 HydrophobicContact CG2-CB 4.02Å; V1799-I1928 HydrophobicContact CG2-CG2 4.13Å; V1799-C1930 HydrophobicContact CG1-CB 4.48Å |
| 1800 | C | 43.8 | Very low | 47.5 | Very low | 79 Ų | 79 | 93.2 Ų | 93.2 | 53% | 0.534 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 132 | 176.5 | -76.4 | 0 | 0 | 0 | 0 | 113 | L1916 N1917 | C1800-L1916 CarbonylContact C-O 3.59Å; C1800-L1916 VanDerWaalsContact CA-O 3.29Å; C1800-L1916 WeakPolarHBondContact CA-O 3.43Å; C1800-N1917 VanDerWaalsContact SG-CG 3.53Å |
| 1801 | V | 44.6 | Very low | 47.9 | Very low | 41 Ų | 41 | 91 Ų | 91 | 25% | 0.248 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 134.2 | 179.6 | -171.8 | 0 | 0 | 0 | 0 | 109.8 | V1799 L1916 C1930 | V1799-V1801 HydrophobicContact CG1-CG2 4.21Å; V1801-L1916 PolarHBondContact N-O 2.99Å; V1801-L1916 WeakPolarHBondContact O-CB 3.49Å; V1801-L1916 PolarHBondContact O-N 3.45Å; V1801-C1930 HydrophobicContact CG2-CB 4.06Å |
| 1802 | G | 44.7 | Very low | 48.2 | Very low | 49 Ų | 49 | 94.4 Ų | 94.4 | 51% | 0.505 | 48% | 0.484 | S | S | . | . | trans | 177.6 | 152.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1803 | T | 45.8 | Very low | 49.2 | Very low | 78 Ų | 78 | 87.1 Ų | 87.1 | 48% | 0.479 | 45% | 0.45 | S | S | . | . | trans | -86.2 | 144.2 | 179.2 | 37.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1804 | T | 48.6 | Very low | 50.4 | Low | 68 Ų | 68 | 87.2 Ų | 87.2 | 42% | 0.417 | 45% | 0.446 | S | S | . | . | trans | -115.2 | 157.8 | 179.7 | 66.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1805 | S | 51.7 | Low | 51.8 | Low | 43 Ų | 43 | 83 Ų | 83 | 30% | 0.301 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 117.7 | 173.3 | -74.9 | 0 | 0 | 0 | 0 | 110.8 | S1846 F1847 | S1805-S1846 WeakPolarHBondContact O-CA 3.33Å; S1805-F1847 PolarHBondContact N-O 3.34Å; S1805-F1847 PolarHBondContact O-N 2.89Å |
| 1806 | E | 58.8 | Low | 53.3 | Low | 101 Ų | 101 | 73.8 Ų | 73.8 | 47% | 0.472 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 122.7 | 170.7 | -58.7 | -159.5 | 143.3 | 0 | 0 | 110.6 | K1836 I1845 | E1806-K1836 WeakPolarHBondContact OE1-CD 3.35Å; E1806-K1836 IonicContact OE1-NZ 2.73Å; E1806-K1836 PolarHBondContact OE1-NZ 3.45Å; E1806-K1836 IonicContact OE2-NZ 2.7Å; E1806-I1845 WeakPolarHBondContact CA-O 3.48Å |
| 1807 | M | 60.7 | Low | 54.5 | Low | 65 Ų | 65 | 73.5 Ų | 73.5 | 32% | 0.32 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 131.3 | 177.4 | -152.3 | -171.6 | 87.6 | 0 | 0 | 113.1 | G1844 I1845 I1873 | M1807-G1844 CarbonylContact O-C 3.56Å; M1807-G1844 VanDerWaalsContact O-CA 3.26Å; M1807-G1844 WeakPolarHBondContact O-CA 3.25Å; M1807-I1845 HydrophobicContact CB-CG2 4.47Å; M1807-I1845 PolarHBondContact N-O 2.79Å; M1807-I1845 PolarHBondContact O-N 2.87Å; M1807-I1873 HydrophobicContact CB-CD1 4.48Å; M1807-I1873 HydrophobicContact CE-CD1 3.73Å; M1807-I1873 HydrophobicContact CE-CG1 3.62Å; M1807-I1873 HydrophobicContact SD-CB 4.38Å; M1807-I1873 HydrophobicContact SD-CD1 3.93Å; M1807-I1873 HydrophobicContact SD-CG1 3.96Å; M1807-I1873 HydrophobicContact SD-CG2 3.81Å |
| 1808 | P | 62.9 | Low | 55.5 | Low | 73 Ų | 73 | 75 Ų | 75 | 47% | 0.474 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 126.8 | 179.2 | 27.8 | -35 | 0 | 0 | 0 | 113.4 | L1838 | P1808-L1838 HydrophobicContact CB-CD1 3.63Å |
| 1809 | L | 65.8 | Low | 56.7 | Low | 4 Ų | 4 | 69.6 Ų | 69.6 | 2% | 0.021 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 123.6 | 170.1 | -57.5 | 178.5 | 0 | 0 | 0 | 109.3 | I1811 L1835 L1843 I1845 V1857 V1859 F1871 | L1809-I1811 HydrophobicContact CB-CD1 3.67Å; L1809-I1811 HydrophobicContact CB-CG1 4.12Å; L1809-I1811 HydrophobicContact CD1-CD1 4.02Å; L1809-I1811 PolarHBondContact O-N 2.92Å; L1809-L1835 HydrophobicContact CD1-CD2 4.02Å; L1809-L1843 CarbonylContact C-O 3.52Å; L1809-L1843 WeakPolarHBondContact CA-O 3.44Å; L1809-L1843 PolarHBondContact N-O 2.86Å; L1809-I1845 HydrophobicContact CD1-CB 4.12Å; L1809-I1845 HydrophobicContact CD1-CG2 4.14Å; L1809-I1845 HydrophobicContact CD2-CG2 4.14Å; L1809-I1845 HydrophobicContact CG-CB 4.49Å; L1809-I1845 HydrophobicContact CG-CG2 4.1Å; L1809-V1857 HydrophobicContact CD1-CG1 4.2Å; L1809-V1859 HydrophobicContact CD1-CG2 4.23Å; L1809-F1871 HydrophobicContact CD1-CD2 4.45Å; L1809-F1871 HydrophobicContact CD2-CB 4.01Å; L1809-F1871 HydrophobicContact CD2-CD1 4.43Å; L1809-F1871 HydrophobicContact CD2-CD2 4.25Å; L1809-F1871 HydrophobicContact CD2-CG 3.98Å |
| 1810 | R | 63.8 | Low | 57.8 | Low | 220 Ų | 220 | 71.6 Ų | 71.6 | 83% | 0.83 | 40% | 0.395 | S | S | * | . | trans | -74.5 | 68.1 | -179.2 | -67.2 | -173.3 | -177.3 | -178.2 | 1.4 | 112.4 | ||||
| 1811 | I | 65.3 | Low | 59.4 | Low | 14 Ų | 14 | 68 Ų | 68 | 7% | 0.072 | 37% | 0.371 | C | S | . | . | trans | -119.6 | 139.5 | 177.9 | -52.2 | 157.8 | 0 | 0 | 0 | 107.4 | L1809 E1813 H1842 L1843 I1866 F1871 | L1809-I1811 HydrophobicContact CB-CD1 3.67Å; L1809-I1811 HydrophobicContact CB-CG1 4.12Å; L1809-I1811 HydrophobicContact CD1-CD1 4.02Å; L1809-I1811 PolarHBondContact O-N 2.92Å; I1811-E1813 HydrophobicContact CG2-CB 3.99Å; I1811-E1813 HydrophobicContact CG2-CG 3.55Å; I1811-H1842 PolarHBondContact O-ND1 2.99Å; I1811-L1843 HydrophobicContact CB-CB 4.37Å; I1811-L1843 HydrophobicContact CB-CD1 3.92Å; I1811-L1843 HydrophobicContact CD1-CB 4.22Å; I1811-L1843 HydrophobicContact CD1-CD1 4.09Å; I1811-L1843 HydrophobicContact CG2-CD1 3.75Å; I1811-I1866 HydrophobicContact CD1-CD1 3.73Å; I1811-I1866 HydrophobicContact CG1-CD1 4.18Å; I1811-I1866 HydrophobicContact CG2-CD1 4.05Å; I1811-F1871 HydrophobicContact CD1-CE1 4.43Å; I1811-F1871 HydrophobicContact CD1-CE2 3.88Å; I1811-F1871 HydrophobicContact CD1-CZ 3.63Å; I1811-F1871 HydrophobicContact CG1-CE1 4.11Å; I1811-F1871 HydrophobicContact CG1-CE2 4.37Å; I1811-F1871 HydrophobicContact CG1-CZ 3.61Å | ||
| 1812 | T | 57.7 | Low | 60.9 | Low | 120 Ų | 120 | 67 Ų | 67 | 74% | 0.736 | 37% | 0.365 | S | S | * | . | trans | -125.3 | 79.8 | 172.6 | 52.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1813 | E | 59.6 | Low | 62.6 | Low | 52 Ų | 52 | 65 Ų | 65 | 24% | 0.243 | 34% | 0.342 | C | S | . | . | trans | -111.6 | 143.1 | 178.9 | -82.2 | -77.5 | -169.3 | 0 | 0 | 109.4 | I1811 L1843 R1861 | I1811-E1813 HydrophobicContact CG2-CB 3.99Å; I1811-E1813 HydrophobicContact CG2-CG 3.55Å; E1813-L1843 HydrophobicContact CB-CD1 4.35Å; E1813-R1861 VanDerWaalsContact CD-NH2 3.28Å; E1813-R1861 IonicContact OE1-CZ 3.1Å; E1813-R1861 IonicContact OE1-NH1 3.5Å; E1813-R1861 PolarHBondContact OE1-NH1 2.93Å; E1813-R1861 IonicContact OE1-NH2 3.58Å; E1813-R1861 IonicContact OE2-CZ 3.4Å; E1813-R1861 VanDerWaalsContact OE2-CZ 3.28Å; E1813-R1861 IonicContact OE2-NH1 3.83Å; E1813-R1861 PolarHBondContact OE2-NH1 2.85Å; E1813-R1861 IonicContact OE2-NH2 2.7Å; E1813-R1861 PolarHBondContact OE2-NH2 3.38Å | ||
| 1814 | T | 55.5 | Low | 64.1 | Low | 108 Ų | 108 | 66.4 Ų | 66.4 | 66% | 0.663 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -89.5 | -46.1 | 178.9 | 49.8 | 0 | 0 | 0 | 0 | 111.4 | I1816 | T1814-I1816 PolarHBondContact O-N 2.8Š|
| 1815 | D | 60 | Low | 65.3 | Low | 83 Ų | 83 | 64 Ų | 64 | 44% | 0.444 | 33% | 0.325 | S | S | . | . | trans | -88.2 | 86.2 | 179.5 | -67.7 | -31.9 | 0 | 0 | 0 | 111.3 | Y1817 R1861 | D1815-Y1817 VanDerWaalsContact C-N 3.33Å; D1815-R1861 PolarHBondContact O-NH2 2.72Å | ||
| 1816 | I | 68.1 | Low | 66.3 | Low | 28 Ų | 28 | 65 Ų | 65 | 14% | 0.144 | 33% | 0.33 | C | S | . | . | trans | -70.6 | -32 | 171.8 | -58.4 | 177.9 | 0 | 0 | 0 | 110.8 | T1814 N1818 L1819 R1837 L1843 | T1814-I1816 PolarHBondContact O-N 2.8Å; I1816-N1818 PolarHBondContact O-N 2.78Å; I1816-N1818 VanDerWaalsContact O-N 3.07Å; I1816-L1819 WeakPolarHBondContact O-CB 3.48Å; I1816-L1819 PolarHBondContact O-N 2.75Å; I1816-R1837 HydrophobicContact CD1-CB 3.97Å; I1816-R1837 HydrophobicContact CD1-CG 4.03Å; I1816-L1843 HydrophobicContact CD1-CD2 3.93Å; I1816-L1843 HydrophobicContact CG1-CD2 4.13Å; I1816-L1843 HydrophobicContact CG2-CD2 4.21Å | ||
| 1817 | Y | 56.5 | Low | 67 | Low | 108 Ų | 108 | 63.9 Ų | 63.9 | 42% | 0.424 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -36.3 | -176.3 | -55.5 | -81.8 | 0 | 0 | 0 | 114.5 | D1815 V2227 Q2231 | D1815-Y1817 VanDerWaalsContact C-N 3.33Å; Y1817-V2227 HydrophobicContact CD1-CG1 3.71Å; Y1817-V2227 HydrophobicContact CE1-CB 4.45Å; Y1817-V2227 HydrophobicContact CE1-CG1 3.51Å; Y1817-Q2231 PolarHBondContact OH-OE1 3.17Å |
| 1818 | N | 61.7 | Low | 67.3 | Low | 86 Ų | 86 | 61.8 Ų | 61.8 | 46% | 0.46 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 16.5 | -177.9 | -66.4 | -50.5 | 0 | 0 | 0 | 113.8 | I1816 R1861 | I1816-N1818 PolarHBondContact O-N 2.78Å; I1816-N1818 VanDerWaalsContact O-N 3.07Å; N1818-R1861 HydrophobicContact CB-CG 4.36Å |
| 1819 | L | 71.9 | Confident | 67.4 | Low | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 140.6 | -178.8 | -57.8 | -177.2 | 0 | 0 | 0 | 113.2 | I1816 L1835 L1843 F1860 R1861 I1866 R2235 | I1816-L1819 WeakPolarHBondContact O-CB 3.48Å; I1816-L1819 PolarHBondContact O-N 2.75Å; L1819-L1835 HydrophobicContact CB-CD1 3.81Å; L1819-L1835 HydrophobicContact CD1-CD1 4.45Å; L1819-L1843 HydrophobicContact CD1-CD1 4.1Å; L1819-F1860 WeakPolarHBondContact CA-O 3.47Å; L1819-R1861 HydrophobicContact CD2-CB 3.66Å; L1819-R1861 HydrophobicContact CD2-CG 4.11Å; L1819-I1866 HydrophobicContact CD2-CG2 3.9Å; L1819-R2235 PolarHBondContact O-NH2 2.96Å |
| 1820 | V | 65.6 | Low | 67.6 | Low | 80 Ų | 80 | 68.8 Ų | 68.8 | 49% | 0.485 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 137.9 | 174.4 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | V1859 F1860 | V1820-V1859 WeakPolarHBondContact O-CA 3.27Å; V1820-F1860 PolarHBondContact N-O 2.8Å; V1820-F1860 PolarHBondContact O-N 2.8Å |
| 1821 | A | 78 | Confident | 67.4 | Low | 4 Ų | 4 | 63.4 Ų | 63.4 | 3% | 0.033 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 148.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1833 L1835 I1845 N1858 V1859 | A1821-S1833 PolarHBondContact O-N 3.05Å; A1821-L1835 HydrophobicContact CB-CD1 3.91Å; A1821-L1835 HydrophobicContact CB-CD2 4.03Å; A1821-L1835 HydrophobicContact CB-CG 3.68Å; A1821-I1845 HydrophobicContact CB-CD1 4.34Å; A1821-N1858 CarbonylContact C-O 3.59Å; A1821-N1858 VanDerWaalsContact CA-O 3.25Å; A1821-N1858 WeakPolarHBondContact CA-O 3.49Å; A1821-V1859 HydrophobicContact CB-CG2 4.08Å |
| 1822 | T | 76 | Confident | 67.4 | Low | 20 Ų | 20 | 67.7 Ų | 67.7 | 12% | 0.123 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 149.4 | 170.7 | 51.8 | 0 | 0 | 0 | 0 | 109.9 | E1830 Q1831 V1857 N1858 | T1822-E1830 WeakPolarHBondContact CB-OE1 3.48Å; T1822-E1830 HydrophobicContact CG2-CG 4.2Å; T1822-E1830 PolarHBondContact OG1-OE1 3.15Å; T1822-Q1831 CarbonylContact C-O 3.5Å; T1822-Q1831 WeakPolarHBondContact CA-O 3.42Å; T1822-Q1831 VanDerWaalsContact CB-O 3.29Å; T1822-Q1831 WeakPolarHBondContact CB-O 3.36Å; T1822-V1857 CarbonylContact O-C 3.6Å; T1822-V1857 WeakPolarHBondContact O-CA 3.28Å; T1822-N1858 PolarHBondContact N-O 3.13Å; T1822-N1858 PolarHBondContact O-N 2.9Å; T1822-N1858 WeakPolarHBondContact OG1-CB 3.34Å; T1822-N1858 PolarHBondContact OG1-ND2 2.85Å |
| 1823 | V | 80 | Confident | 67.7 | Low | 6 Ų | 6 | 62.8 Ų | 62.8 | 4% | 0.036 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 132 | 169.6 | 176.6 | 0 | 0 | 0 | 0 | 107.7 | E1830 Q1831 I1845 F1847 H1855 F1856 V1857 | V1823-E1830 WeakPolarHBondContact O-CA 3.31Å; V1823-Q1831 PolarHBondContact N-O 2.84Å; V1823-Q1831 PolarHBondContact O-N 2.78Å; V1823-I1845 HydrophobicContact CG2-CD1 3.85Å; V1823-F1847 HydrophobicContact CG1-CD2 3.95Å; V1823-F1847 HydrophobicContact CG1-CE2 4.09Å; V1823-F1847 HydrophobicContact CG1-CG 4.34Å; V1823-F1847 HydrophobicContact CG2-CB 4.13Å; V1823-F1847 HydrophobicContact CG2-CD1 4.31Å; V1823-F1847 HydrophobicContact CG2-CG 4.08Å; V1823-H1855 HydrophobicContact CG1-CB 4.29Å; V1823-F1856 CarbonylContact C-O 3.49Å; V1823-V1857 HydrophobicContact CG2-CG2 4.16Å |
| 1824 | R | 78.2 | Confident | 67.7 | Low | 109 Ų | 109 | 62.8 Ų | 62.8 | 41% | 0.411 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 125.7 | 176.4 | -171.1 | 173.5 | -175.8 | -117.9 | -4.3 | 110.5 | G1828 H1829 E1830 H1855 F1856 | R1824-G1828 PolarHBondContact NE-O 2.95Å; R1824-G1828 PolarHBondContact NH2-O 3.24Å; R1824-H1829 CarbonylContact C-O 3.56Å; R1824-H1829 VanDerWaalsContact CA-O 3.25Å; R1824-H1829 WeakPolarHBondContact CA-O 3.29Å; R1824-E1830 HydrophobicContact CB-CB 4.32Å; R1824-E1830 HydrophobicContact CB-CG 4.26Å; R1824-E1830 HydrophobicContact CG-CB 4.21Å; R1824-H1855 CarbonylContact O-C 3.57Å; R1824-H1855 VanDerWaalsContact O-CA 3.29Å; R1824-H1855 WeakPolarHBondContact O-CA 3.19Å; R1824-F1856 HydrophobicContact CB-CB 4.34Å; R1824-F1856 PolarHBondContact N-O 3.09Å; R1824-F1856 PolarHBondContact O-N 2.58Å |
| 1825 | S | 74.4 | Confident | 68.4 | Low | 18 Ų | 18 | 58.2 Ų | 58.2 | 13% | 0.126 | 31% | 0.313 | C | S | . | . | trans | -71.3 | 165 | -178.9 | 64.9 | 0 | 0 | 0 | 0 | 113.1 | S1827 G1828 H1829 E1851 | S1825-S1827 VanDerWaalsContact C-N 3.26Å; S1825-S1827 PolarHBondContact O-N 3.15Å; S1825-S1827 PolarHBondContact OG-OG 3.49Å; S1825-G1828 WeakPolarHBondContact O-CA 3.25Å; S1825-G1828 PolarHBondContact O-N 2.83Å; S1825-G1828 PolarHBondContact OG-N 2.8Å; S1825-H1829 PolarHBondContact N-O 3.06Å; S1825-H1829 WeakPolarHBondContact OG-CB 3.36Å; S1825-H1829 PolarHBondContact OG-N 3.09Å; S1825-H1829 PolarHBondContact OG-O 3.04Å; S1825-E1851 WeakPolarHBondContact CB-OE2 3.03Å | ||
| 1826 | P | 72.7 | Confident | 68.6 | Low | 62 Ų | 62 | 58.7 Ų | 58.7 | 40% | 0.403 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -38.2 | 165.8 | -26.8 | 33.7 | 0 | 0 | 0 | 113.7 | G1828 E1851 H1855 | P1826-G1828 PolarHBondContact O-N 2.84Å; P1826-E1851 WeakPolarHBondContact CD-OE2 3.22Å; P1826-E1851 HydrophobicContact CG-CB 4.36Å; P1826-H1855 VanDerWaalsContact CD-CE1 3.45Å; P1826-H1855 WeakPolarHBondContact CD-CE1 3.26Å |
| 1827 | S | 71.9 | Confident | 68.6 | Low | 78 Ų | 78 | 64 Ų | 64 | 55% | 0.545 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -10.1 | 171.7 | 63.6 | 0 | 0 | 0 | 0 | 114.3 | S1825 E1851 | S1825-S1827 VanDerWaalsContact C-N 3.26Å; S1825-S1827 PolarHBondContact O-N 3.15Å; S1825-S1827 PolarHBondContact OG-OG 3.49Å; S1827-E1851 WeakPolarHBondContact CB-OE1 3.44Å; S1827-E1851 WeakPolarHBondContact CB-OE2 3.13Å; S1827-E1851 PolarHBondContact N-OE2 2.82Å; S1827-E1851 VanDerWaalsContact OG-CD 3.23Å; S1827-E1851 PolarHBondContact OG-OE1 3.28Å; S1827-E1851 PolarHBondContact OG-OE2 2.88Å |
| 1828 | G | 67.6 | Low | 68.7 | Low | 21 Ų | 21 | 60.3 Ų | 60.3 | 22% | 0.216 | 32% | 0.317 | C | S | . | . | trans | 90.1 | 7 | 175 | 0 | 0 | 0 | 0 | 0 | 115.1 | R1824 S1825 P1826 | R1824-G1828 PolarHBondContact NE-O 2.95Å; R1824-G1828 PolarHBondContact NH2-O 3.24Å; S1825-G1828 WeakPolarHBondContact O-CA 3.25Å; S1825-G1828 PolarHBondContact O-N 2.83Å; S1825-G1828 PolarHBondContact OG-N 2.8Å; P1826-G1828 PolarHBondContact O-N 2.84Å | ||
| 1829 | H | 64.4 | Low | 68.2 | Low | 136 Ų | 136 | 63.1 Ų | 63.1 | 63% | 0.63 | 34% | 0.34 | S | S | * | . | trans | -76 | 133.3 | 176.6 | -136.7 | -77 | 0 | 0 | 0 | 110.2 | R1824 S1825 | R1824-H1829 CarbonylContact C-O 3.56Å; R1824-H1829 VanDerWaalsContact CA-O 3.25Å; R1824-H1829 WeakPolarHBondContact CA-O 3.29Å; S1825-H1829 PolarHBondContact N-O 3.06Å; S1825-H1829 WeakPolarHBondContact OG-CB 3.36Å; S1825-H1829 PolarHBondContact OG-N 3.09Å; S1825-H1829 PolarHBondContact OG-O 3.04Å | ||
| 1830 | E | 69.9 | Low | 67.5 | Low | 88 Ų | 88 | 68 Ų | 68 | 41% | 0.411 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 128.3 | -172.8 | -170.1 | 165.5 | 172.3 | 0 | 0 | 111.4 | T1822 V1823 R1824 N1858 | T1822-E1830 WeakPolarHBondContact CB-OE1 3.48Å; T1822-E1830 HydrophobicContact CG2-CG 4.2Å; T1822-E1830 PolarHBondContact OG1-OE1 3.15Å; V1823-E1830 WeakPolarHBondContact O-CA 3.31Å; R1824-E1830 HydrophobicContact CB-CB 4.32Å; R1824-E1830 HydrophobicContact CB-CG 4.26Å; R1824-E1830 HydrophobicContact CG-CB 4.21Å; E1830-N1858 VanDerWaalsContact CD-ND2 3.33Å; E1830-N1858 PolarHBondContact OE1-ND2 2.69Å |
| 1831 | Q | 60.6 | Low | 67.1 | Low | 108 Ų | 108 | 65.8 Ų | 65.8 | 51% | 0.505 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 141.8 | -174.9 | -68.2 | -180 | -21.5 | 0 | 0 | 110.8 | T1822 V1823 | T1822-Q1831 CarbonylContact C-O 3.5Å; T1822-Q1831 WeakPolarHBondContact CA-O 3.42Å; T1822-Q1831 VanDerWaalsContact CB-O 3.29Å; T1822-Q1831 WeakPolarHBondContact CB-O 3.36Å; V1823-Q1831 PolarHBondContact N-O 2.84Å; V1823-Q1831 PolarHBondContact O-N 2.78Å |
| 1832 | P | 64.1 | Low | 66.6 | Low | 104 Ų | 104 | 68.3 Ų | 68.3 | 68% | 0.675 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 145.1 | 169 | -21.6 | 33.7 | 0 | 0 | 0 | 112 | ||
| 1833 | S | 65.2 | Low | 66.2 | Low | 17 Ų | 17 | 67.5 Ų | 67.5 | 12% | 0.119 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 157.1 | 179.8 | 178.9 | 0 | 0 | 0 | 0 | 112.6 | A1821 I1845 S1846 | A1821-S1833 PolarHBondContact O-N 3.05Å; S1833-I1845 WeakPolarHBondContact OG-CD1 3.28Å; S1833-I1845 WeakPolarHBondContact OG-CG1 3.35Å; S1833-S1846 PolarHBondContact OG-O 3.23Å |
| 1834 | T | 59.7 | Low | 65.7 | Low | 51 Ų | 51 | 67.2 Ų | 67.2 | 31% | 0.313 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 124.5 | -163 | -56.3 | 0 | 0 | 0 | 0 | 112.2 | I1845 S1846 H2225 | T1834-I1845 WeakPolarHBondContact O-CA 3.38Å; T1834-S1846 PolarHBondContact O-N 3.04Å; T1834-H2225 WeakPolarHBondContact CG2-CE1 3.4Å; T1834-H2225 WeakPolarHBondContact CG2-ND1 3.23Å |
| 1835 | L | 69.6 | Low | 65.4 | Low | 12 Ų | 12 | 62 Ų | 62 | 6% | 0.063 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 123.8 | 171.5 | -73.5 | 174.8 | 0 | 0 | 0 | 111.1 | L1809 L1819 A1821 L1843 G1844 V1859 H2225 | L1809-L1835 HydrophobicContact CD1-CD2 4.02Å; L1819-L1835 HydrophobicContact CB-CD1 3.81Å; L1819-L1835 HydrophobicContact CD1-CD1 4.45Å; A1821-L1835 HydrophobicContact CB-CD1 3.91Å; A1821-L1835 HydrophobicContact CB-CD2 4.03Å; A1821-L1835 HydrophobicContact CB-CG 3.68Å; L1835-L1843 HydrophobicContact CB-CD2 4.17Å; L1835-L1843 HydrophobicContact CD2-CD2 4.43Å; L1835-G1844 WeakPolarHBondContact CA-O 3.46Å; L1835-V1859 HydrophobicContact CD1-CG1 3.95Å; L1835-V1859 HydrophobicContact CD2-CG2 4.29Å; L1835-H2225 PolarHBondContact O-NE2 3.12Å |
| 1836 | K | 64 | Low | 65 | Low | 93 Ų | 93 | 62.2 Ų | 62.2 | 40% | 0.404 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 148.6 | 179.9 | -177.4 | 176.2 | 173.8 | -175.3 | 0 | 109.7 | E1806 L1843 G1844 | E1806-K1836 WeakPolarHBondContact OE1-CD 3.35Å; E1806-K1836 IonicContact OE1-NZ 2.73Å; E1806-K1836 PolarHBondContact OE1-NZ 3.45Å; E1806-K1836 IonicContact OE2-NZ 2.7Å; K1836-L1843 CarbonylContact O-C 3.53Å; K1836-L1843 WeakPolarHBondContact O-CA 3.48Å; K1836-G1844 PolarHBondContact N-O 2.77Å; K1836-G1844 PolarHBondContact O-N 3Å |
| 1837 | R | 69.2 | Low | 64.8 | Low | 141 Ų | 141 | 60.5 Ų | 60.5 | 53% | 0.532 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 128.2 | 171.1 | -152.9 | 179.8 | -160.6 | 176.3 | 9.9 | 109.3 | I1816 | I1816-R1837 HydrophobicContact CD1-CB 3.97Å; I1816-R1837 HydrophobicContact CD1-CG 4.03Å |
| 1838 | L | 58.2 | Low | 64.5 | Low | 30 Ų | 30 | 58.8 Ų | 58.8 | 16% | 0.157 | 32% | 0.319 | C | S | . | . | trans | -90.1 | 156.4 | -179.4 | -63.6 | 175.2 | 0 | 0 | 0 | 110.8 | P1808 N1840 G1841 H1842 | P1808-L1838 HydrophobicContact CB-CD1 3.63Å; L1838-N1840 WeakPolarHBondContact CB-OD1 3.31Å; L1838-N1840 PolarHBondContact O-N 2.81Å; L1838-G1841 PolarHBondContact O-N 2.8Å; L1838-H1842 PolarHBondContact N-O 3.44Å | ||
| 1839 | P | 51.5 | Low | 64.2 | Low | 145 Ų | 145 | 58.1 Ų | 58.1 | 94% | 0.942 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -14.7 | -177.6 | -26.8 | 35.9 | 0 | 0 | 0 | 115.7 | G1841 | P1839-G1841 VanDerWaalsContact C-N 3.34Š|
| 1840 | N | 57.6 | Low | 64.3 | Low | 104 Ų | 104 | 57.7 Ų | 57.7 | 56% | 0.556 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 8 | 174.7 | 63.4 | 11.7 | 0 | 0 | 0 | 113.8 | L1838 H1842 | L1838-N1840 WeakPolarHBondContact CB-OD1 3.31Å; L1838-N1840 PolarHBondContact O-N 2.81Å; N1840-H1842 VanDerWaalsContact C-N 3.29Å; N1840-H1842 PolarHBondContact O-N 2.84Å; N1840-H1842 WeakPolarHBondContact OD1-CB 3.34Å; N1840-H1842 PolarHBondContact OD1-N 2.96Å |
| 1841 | G | 55.8 | Low | 64.1 | Low | 35 Ų | 35 | 56.6 Ų | 56.6 | 36% | 0.361 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 83.9 | -10.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1838 P1839 | L1838-G1841 PolarHBondContact O-N 2.8Å; P1839-G1841 VanDerWaalsContact C-N 3.34Å |
| 1842 | H | 67.1 | Low | 64.5 | Low | 57 Ų | 57 | 55.8 Ų | 55.8 | 26% | 0.264 | 30% | 0.301 | S | S | . | . | trans | -79.9 | 161.1 | 174.8 | -72.3 | -53.9 | 0 | 0 | 0 | 112.6 | I1811 L1838 N1840 | I1811-H1842 PolarHBondContact O-ND1 2.99Å; L1838-H1842 PolarHBondContact N-O 3.44Å; N1840-H1842 VanDerWaalsContact C-N 3.29Å; N1840-H1842 PolarHBondContact O-N 2.84Å; N1840-H1842 WeakPolarHBondContact OD1-CB 3.34Å; N1840-H1842 PolarHBondContact OD1-N 2.96Å | ||
| 1843 | L | 68.4 | Low | 64.8 | Low | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 151.8 | 166.8 | -80.9 | 151.9 | 0 | 0 | 0 | 110.4 | L1809 I1811 E1813 I1816 L1819 L1835 K1836 | L1809-L1843 CarbonylContact C-O 3.52Å; L1809-L1843 WeakPolarHBondContact CA-O 3.44Å; L1809-L1843 PolarHBondContact N-O 2.86Å; I1811-L1843 HydrophobicContact CB-CB 4.37Å; I1811-L1843 HydrophobicContact CB-CD1 3.92Å; I1811-L1843 HydrophobicContact CD1-CB 4.22Å; I1811-L1843 HydrophobicContact CD1-CD1 4.09Å; I1811-L1843 HydrophobicContact CG2-CD1 3.75Å; E1813-L1843 HydrophobicContact CB-CD1 4.35Å; I1816-L1843 HydrophobicContact CD1-CD2 3.93Å; I1816-L1843 HydrophobicContact CG1-CD2 4.13Å; I1816-L1843 HydrophobicContact CG2-CD2 4.21Å; L1819-L1843 HydrophobicContact CD1-CD1 4.1Å; L1835-L1843 HydrophobicContact CB-CD2 4.17Å; L1835-L1843 HydrophobicContact CD2-CD2 4.43Å; K1836-L1843 CarbonylContact O-C 3.53Å; K1836-L1843 WeakPolarHBondContact O-CA 3.48Å |
| 1844 | G | 69.8 | Low | 65.4 | Low | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 161.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | M1807 L1835 K1836 | M1807-G1844 CarbonylContact O-C 3.56Å; M1807-G1844 VanDerWaalsContact O-CA 3.26Å; M1807-G1844 WeakPolarHBondContact O-CA 3.25Å; L1835-G1844 WeakPolarHBondContact CA-O 3.46Å; K1836-G1844 PolarHBondContact N-O 2.77Å; K1836-G1844 PolarHBondContact O-N 3Å |
| 1845 | I | 72.7 | Confident | 66.3 | Low | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 142.6 | -179.8 | -169.5 | 165.5 | 0 | 0 | 0 | 111.5 | E1806 M1807 L1809 A1821 V1823 S1833 T1834 V1857 I1873 | E1806-I1845 WeakPolarHBondContact CA-O 3.48Å; M1807-I1845 HydrophobicContact CB-CG2 4.47Å; M1807-I1845 PolarHBondContact N-O 2.79Å; M1807-I1845 PolarHBondContact O-N 2.87Å; L1809-I1845 HydrophobicContact CD1-CB 4.12Å; L1809-I1845 HydrophobicContact CD1-CG2 4.14Å; L1809-I1845 HydrophobicContact CD2-CG2 4.14Å; L1809-I1845 HydrophobicContact CG-CB 4.49Å; L1809-I1845 HydrophobicContact CG-CG2 4.1Å; A1821-I1845 HydrophobicContact CB-CD1 4.34Å; V1823-I1845 HydrophobicContact CG2-CD1 3.85Å; S1833-I1845 WeakPolarHBondContact OG-CD1 3.28Å; S1833-I1845 WeakPolarHBondContact OG-CG1 3.35Å; T1834-I1845 WeakPolarHBondContact O-CA 3.38Å; I1845-V1857 HydrophobicContact CD1-CB 4.27Å; I1845-V1857 HydrophobicContact CD1-CG1 3.32Å; I1845-V1857 HydrophobicContact CD1-CG2 3.92Å; I1845-V1857 HydrophobicContact CG2-CG2 4.43Å; I1845-I1873 HydrophobicContact CG2-CD1 4.15Å |
| 1846 | S | 65.1 | Low | 66.9 | Low | 21 Ų | 21 | 54.5 Ų | 54.5 | 15% | 0.147 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126.4 | -179.8 | -52.4 | 0 | 0 | 0 | 0 | 110.9 | S1805 S1833 T1834 | S1805-S1846 WeakPolarHBondContact O-CA 3.33Å; S1833-S1846 PolarHBondContact OG-O 3.23Å; T1834-S1846 PolarHBondContact O-N 3.04Å |
| 1847 | F | 69.5 | Low | 67.7 | Low | 26 Ų | 26 | 50.1 Ų | 50.1 | 11% | 0.114 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 163.3 | 172.3 | 75.3 | -71.5 | 0 | 0 | 0 | 112 | S1805 V1823 P1849 H1855 I1873 V1875 | S1805-F1847 PolarHBondContact N-O 3.34Å; S1805-F1847 PolarHBondContact O-N 2.89Å; V1823-F1847 HydrophobicContact CG1-CD2 3.95Å; V1823-F1847 HydrophobicContact CG1-CE2 4.09Å; V1823-F1847 HydrophobicContact CG1-CG 4.34Å; V1823-F1847 HydrophobicContact CG2-CB 4.13Å; V1823-F1847 HydrophobicContact CG2-CD1 4.31Å; V1823-F1847 HydrophobicContact CG2-CG 4.08Å; F1847-P1849 HydrophobicContact CD2-CB 4.5Å; F1847-P1849 HydrophobicContact CE2-CB 3.97Å; F1847-H1855 AromaticContact CE2-CD2 3.88Å; F1847-I1873 HydrophobicContact CE1-CD1 3.76Å; F1847-I1873 HydrophobicContact CE1-CG2 4.14Å; F1847-I1873 HydrophobicContact CZ-CD1 4.34Å; F1847-I1873 HydrophobicContact CZ-CG2 3.94Å; F1847-V1875 HydrophobicContact CZ-CG2 4.44Å |
| 1848 | T | 63.8 | Low | 68.3 | Low | 43 Ų | 43 | 44.1 Ų | 44.1 | 26% | 0.264 | 24% | 0.242 | S | C | . | . | trans | -108.5 | 116.8 | 174.1 | -53.7 | 0 | 0 | 0 | 0 | 108.6 | H1850 | T1848-H1850 PolarHBondContact O-CE1 3.32Å; T1848-H1850 PolarHBondContact O-ND1 3.28Å | ||
| 1849 | P | 62.9 | Low | 69.4 | Low | 7 Ų | 7 | 42.7 Ų | 42.7 | 5% | 0.045 | 24% | 0.235 | C | C | . | . | trans | -83.2 | 139.8 | -175.9 | 33.9 | -35.2 | 0 | 0 | 0 | 112 | F1847 V1875 | F1847-P1849 HydrophobicContact CD2-CB 4.5Å; F1847-P1849 HydrophobicContact CE2-CB 3.97Å; P1849-V1875 HydrophobicContact CB-CB 4.25Å; P1849-V1875 HydrophobicContact CB-CG1 3.7Å; P1849-V1875 HydrophobicContact CB-CG2 3.64Å; P1849-V1875 HydrophobicContact CG-CG1 3.77Å; P1849-V1875 HydrophobicContact CG-CG2 4.24Å | ||
| 1850 | H | 65 | Low | 70.5 | Confident | 127 Ų | 127 | 38.1 Ų | 38.1 | 59% | 0.588 | 20% | 0.2 | S | C | * | . | trans | -120 | -6.1 | -178.7 | -64.8 | 77.7 | 0 | 0 | 0 | 112.9 | T1848 | T1848-H1850 PolarHBondContact O-CE1 3.32Å; T1848-H1850 PolarHBondContact O-ND1 3.28Å | ||
| 1851 | E | 66.3 | Low | 71.4 | Confident | 64 Ų | 64 | 36.3 Ų | 36.3 | 30% | 0.299 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -130.9 | 150.5 | -179.4 | -68.9 | 179.6 | -167.7 | 0 | 0 | 110 | S1825 P1826 S1827 H1855 | S1825-E1851 WeakPolarHBondContact CB-OE2 3.03Å; P1826-E1851 WeakPolarHBondContact CD-OE2 3.22Å; P1826-E1851 HydrophobicContact CG-CB 4.36Å; S1827-E1851 WeakPolarHBondContact CB-OE1 3.44Å; S1827-E1851 WeakPolarHBondContact CB-OE2 3.13Å; S1827-E1851 PolarHBondContact N-OE2 2.82Å; S1827-E1851 VanDerWaalsContact OG-CD 3.23Å; S1827-E1851 PolarHBondContact OG-OE1 3.28Å; S1827-E1851 PolarHBondContact OG-OE2 2.88Å; E1851-H1855 PolarHBondContact O-CE1 2.74Å |
| 1852 | I | 69.8 | Low | 71.9 | Confident | 91 Ų | 91 | 41.2 Ų | 41.2 | 47% | 0.467 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -86.1 | 128.8 | 173.4 | -56.4 | 161.2 | 0 | 0 | 0 | 108.2 | E1877 I1880 | I1852-E1877 HydrophobicContact CD1-CG 3.73Å; I1852-E1877 HydrophobicContact CG1-CG 4.46Å; I1852-I1880 HydrophobicContact CD1-CD1 4.49Å; I1852-I1880 HydrophobicContact CG1-CD1 3.55Å |
| 1853 | G | 69.6 | Low | 71.6 | Confident | 10 Ų | 10 | 41.8 Ų | 41.8 | 10% | 0.103 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 127.2 | -161.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | H1855 V1875 | G1853-H1855 PolarHBondContact O-N 3.11Å; G1853-H1855 PolarHBondContact O-ND1 3.27Å; G1853-V1875 PolarHBondContact N-O 2.82Å; G1853-V1875 PolarHBondContact O-N 2.84Å |
| 1854 | E | 77.4 | Confident | 71.4 | Confident | 77 Ų | 77 | 51.5 Ų | 51.5 | 36% | 0.36 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 110.1 | -168.9 | -163.8 | -176.1 | -127.6 | 0 | 0 | 113 | F1856 K1872 I1873 Y1874 | E1854-F1856 HydrophobicContact CG-CE2 4.35Å; E1854-F1856 WeakPolarHBondContact OE2-CZ 3.33Å; E1854-K1872 HydrophobicContact CG-CB 4.3Å; E1854-K1872 HydrophobicContact CG-CG 4.28Å; E1854-K1872 WeakPolarHBondContact OE1-CD 3.3Å; E1854-K1872 IonicContact OE1-NZ 2.82Å; E1854-K1872 PolarHBondContact OE1-NZ 2.93Å; E1854-K1872 IonicContact OE2-NZ 2.84Å; E1854-K1872 PolarHBondContact OE2-NZ 2.82Å; E1854-I1873 CarbonylContact C-O 3.6Å; E1854-I1873 VanDerWaalsContact CA-O 3.26Å; E1854-I1873 WeakPolarHBondContact CA-O 3.41Å; E1854-Y1874 HydrophobicContact CB-CD2 4.39Å |
| 1855 | H | 78.4 | Confident | 71.7 | Confident | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.037 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 150 | 174 | -66.5 | 64.4 | 0 | 0 | 0 | 110.8 | V1823 R1824 P1826 F1847 E1851 G1853 K1872 I1873 | V1823-H1855 HydrophobicContact CG1-CB 4.29Å; R1824-H1855 CarbonylContact O-C 3.57Å; R1824-H1855 VanDerWaalsContact O-CA 3.29Å; R1824-H1855 WeakPolarHBondContact O-CA 3.19Å; P1826-H1855 VanDerWaalsContact CD-CE1 3.45Å; P1826-H1855 WeakPolarHBondContact CD-CE1 3.26Å; F1847-H1855 AromaticContact CE2-CD2 3.88Å; E1851-H1855 PolarHBondContact O-CE1 2.74Å; G1853-H1855 PolarHBondContact O-N 3.11Å; G1853-H1855 PolarHBondContact O-ND1 3.27Å; H1855-K1872 WeakPolarHBondContact O-CA 3.2Å; H1855-I1873 HydrophobicContact CB-CB 4.39Å; H1855-I1873 PolarHBondContact N-O 3.35Å; H1855-I1873 PolarHBondContact O-N 3.13Å |
| 1856 | F | 81.8 | Confident | 72 | Confident | 63 Ų | 63 | 56.8 Ų | 56.8 | 28% | 0.276 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 122.3 | 179.3 | -71.6 | -101.7 | 0 | 0 | 0 | 111.3 | V1823 R1824 E1854 P1870 F1871 K1872 | V1823-F1856 CarbonylContact C-O 3.49Å; R1824-F1856 HydrophobicContact CB-CB 4.34Å; R1824-F1856 PolarHBondContact N-O 3.09Å; R1824-F1856 PolarHBondContact O-N 2.58Å; E1854-F1856 HydrophobicContact CG-CE2 4.35Å; E1854-F1856 WeakPolarHBondContact OE2-CZ 3.33Å; F1856-P1870 HydrophobicContact CB-CB 4.5Å; F1856-P1870 HydrophobicContact CD1-CB 4.45Å; F1856-P1870 HydrophobicContact CD1-CG 4.29Å; F1856-F1871 CarbonylContact C-O 3.57Å; F1856-F1871 WeakPolarHBondContact CA-O 3.33Å; F1856-K1872 HydrophobicContact CD1-CG 4.08Å; F1856-K1872 HydrophobicContact CE1-CD 4.38Å; F1856-K1872 HydrophobicContact CE1-CG 3.77Å; F1856-K1872 HydrophobicContact CZ-CG 4.21Å |
| 1857 | V | 82.2 | Confident | 72.1 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 106.2 | 175.6 | 176.5 | 0 | 0 | 0 | 0 | 109.7 | L1809 T1822 V1823 I1845 V1859 P1870 F1871 I1873 | L1809-V1857 HydrophobicContact CD1-CG1 4.2Å; T1822-V1857 CarbonylContact O-C 3.6Å; T1822-V1857 WeakPolarHBondContact O-CA 3.28Å; V1823-V1857 HydrophobicContact CG2-CG2 4.16Å; I1845-V1857 HydrophobicContact CD1-CB 4.27Å; I1845-V1857 HydrophobicContact CD1-CG1 3.32Å; I1845-V1857 HydrophobicContact CD1-CG2 3.92Å; I1845-V1857 HydrophobicContact CG2-CG2 4.43Å; V1857-V1859 HydrophobicContact CG1-CG2 3.97Å; V1857-P1870 CarbonylContact O-C 3.6Å; V1857-P1870 WeakPolarHBondContact O-CA 3.39Å; V1857-P1870 VanDerWaalsContact O-CB 3.31Å; V1857-P1870 WeakPolarHBondContact O-CB 3.4Å; V1857-F1871 HydrophobicContact CB-CB 4.28Å; V1857-F1871 HydrophobicContact CG1-CD2 4.44Å; V1857-F1871 PolarHBondContact N-O 3.07Å; V1857-F1871 PolarHBondContact O-N 3Å; V1857-I1873 HydrophobicContact CG2-CD1 3.47Å; V1857-I1873 VanDerWaalsContact CG2-CD1 3.47Å; V1857-I1873 HydrophobicContact CG2-CG1 3.97Å |
| 1858 | N | 81.2 | Confident | 72.1 | Confident | 16 Ų | 16 | 64.4 Ų | 64.4 | 9% | 0.086 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 122.7 | 170.2 | -49.9 | -61.5 | 0 | 0 | 0 | 108.9 | A1821 T1822 E1830 F1860 P1870 | A1821-N1858 CarbonylContact C-O 3.59Å; A1821-N1858 VanDerWaalsContact CA-O 3.25Å; A1821-N1858 WeakPolarHBondContact CA-O 3.49Å; T1822-N1858 PolarHBondContact N-O 3.13Å; T1822-N1858 PolarHBondContact O-N 2.9Å; T1822-N1858 WeakPolarHBondContact OG1-CB 3.34Å; T1822-N1858 PolarHBondContact OG1-ND2 2.85Å; E1830-N1858 VanDerWaalsContact CD-ND2 3.33Å; E1830-N1858 PolarHBondContact OE1-ND2 2.69Å; N1858-F1860 HydrophobicContact CB-CD2 4.31Å; N1858-F1860 HydrophobicContact CB-CE1 4.43Å; N1858-F1860 HydrophobicContact CB-CE2 3.43Å; N1858-F1860 VanDerWaalsContact CB-CE2 3.43Å; N1858-F1860 HydrophobicContact CB-CZ 3.51Å; N1858-P1870 VanDerWaalsContact OD1-CB 3.3Å; N1858-P1870 WeakPolarHBondContact OD1-CB 3.44Å |
| 1859 | V | 81 | Confident | 72.8 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 130.1 | 167.3 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | L1809 V1820 A1821 L1835 V1857 H1865 I1866 S1869 F1871 | L1809-V1859 HydrophobicContact CD1-CG2 4.23Å; V1820-V1859 WeakPolarHBondContact O-CA 3.27Å; A1821-V1859 HydrophobicContact CB-CG2 4.08Å; L1835-V1859 HydrophobicContact CD1-CG1 3.95Å; L1835-V1859 HydrophobicContact CD2-CG2 4.29Å; V1857-V1859 HydrophobicContact CG1-CG2 3.97Å; V1859-H1865 WeakPolarHBondContact O-CA 3.45Å; V1859-I1866 HydrophobicContact CB-CD1 3.82Å; V1859-I1866 HydrophobicContact CB-CG1 3.89Å; V1859-I1866 HydrophobicContact CG1-CD1 3.51Å; V1859-I1866 HydrophobicContact CG1-CG1 3.9Å; V1859-I1866 PolarHBondContact O-N 3.26Å; V1859-I1866 VanDerWaalsContact O-N 3.13Å; V1859-S1869 PolarHBondContact N-OG 2.91Å; V1859-S1869 WeakPolarHBondContact O-CB 3.19Å; V1859-S1869 PolarHBondContact O-OG 3.09Å; V1859-F1871 HydrophobicContact CB-CE2 4.32Å; V1859-F1871 HydrophobicContact CG2-CD2 4.28Å; V1859-F1871 HydrophobicContact CG2-CE2 3.96Å |
| 1860 | F | 75.6 | Confident | 73.4 | Confident | 49 Ų | 49 | 65.6 Ų | 65.6 | 22% | 0.215 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 144.9 | -175.9 | -52.2 | -89.1 | 0 | 0 | 0 | 112.1 | L1819 V1820 N1858 R1864 H1865 | L1819-F1860 WeakPolarHBondContact CA-O 3.47Å; V1820-F1860 PolarHBondContact N-O 2.8Å; V1820-F1860 PolarHBondContact O-N 2.8Å; N1858-F1860 HydrophobicContact CB-CD2 4.31Å; N1858-F1860 HydrophobicContact CB-CE1 4.43Å; N1858-F1860 HydrophobicContact CB-CE2 3.43Å; N1858-F1860 VanDerWaalsContact CB-CE2 3.43Å; N1858-F1860 HydrophobicContact CB-CZ 3.51Å; F1860-R1864 CarbonylContact C-O 3.45Å; F1860-R1864 WeakPolarHBondContact CA-O 3.42Å; F1860-H1865 AromaticContact CE1-CD2 3.76Å; F1860-H1865 AromaticContact CE1-CE1 3.6Å; F1860-H1865 AromaticContact CE1-ND1 3.98Å; F1860-H1865 AromaticContact CE1-NE2 3.45Å; F1860-H1865 WeakPolarHBondContact CE1-NE2 3.47Å; F1860-H1865 AromaticContact CZ-CE1 3.95Å |
| 1861 | R | 76.2 | Confident | 74 | Confident | 65 Ų | 65 | 60.9 Ų | 60.9 | 25% | 0.245 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 125.3 | 162.9 | -174.7 | 173.8 | -85 | 152.8 | -7.9 | 108.4 | E1813 D1815 N1818 L1819 G1863 R1864 I1866 | E1813-R1861 VanDerWaalsContact CD-NH2 3.28Å; E1813-R1861 IonicContact OE1-CZ 3.1Å; E1813-R1861 IonicContact OE1-NH1 3.5Å; E1813-R1861 PolarHBondContact OE1-NH1 2.93Å; E1813-R1861 IonicContact OE1-NH2 3.58Å; E1813-R1861 IonicContact OE2-CZ 3.4Å; E1813-R1861 VanDerWaalsContact OE2-CZ 3.28Å; E1813-R1861 IonicContact OE2-NH1 3.83Å; E1813-R1861 PolarHBondContact OE2-NH1 2.85Å; E1813-R1861 IonicContact OE2-NH2 2.7Å; E1813-R1861 PolarHBondContact OE2-NH2 3.38Å; D1815-R1861 PolarHBondContact O-NH2 2.72Å; N1818-R1861 HydrophobicContact CB-CG 4.36Å; L1819-R1861 HydrophobicContact CD2-CB 3.66Å; L1819-R1861 HydrophobicContact CD2-CG 4.11Å; R1861-G1863 PolarHBondContact O-N 3.12Å; R1861-G1863 VanDerWaalsContact O-N 3.09Å; R1861-R1864 PolarHBondContact N-O 3.16Å; R1861-R1864 PolarHBondContact O-N 2.95Å; R1861-I1866 HydrophobicContact CB-CG2 3.93Å |
| 1862 | N | 66.8 | Low | 74.6 | Confident | 138 Ų | 138 | 63.5 Ų | 63.5 | 74% | 0.738 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46 | 41.3 | 179.6 | -59.6 | -2.8 | 0 | 0 | 0 | 114.1 | ||
| 1863 | G | 59.2 | Low | 74.7 | Confident | 70 Ų | 70 | 59.8 Ų | 59.8 | 72% | 0.722 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 13.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | R1861 | R1861-G1863 PolarHBondContact O-N 3.12Å; R1861-G1863 VanDerWaalsContact O-N 3.09Å |
| 1864 | R | 66 | Low | 75 | Confident | 206 Ų | 206 | 67.2 Ų | 67.2 | 78% | 0.777 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 142.7 | 173.3 | -66.2 | -175.5 | 175.9 | -170.8 | -1 | 111.4 | F1860 R1861 | F1860-R1864 CarbonylContact C-O 3.45Å; F1860-R1864 WeakPolarHBondContact CA-O 3.42Å; R1861-R1864 PolarHBondContact N-O 3.16Å; R1861-R1864 PolarHBondContact O-N 2.95Å |
| 1865 | H | 75.5 | Confident | 74.6 | Confident | 94 Ų | 94 | 63.8 Ų | 63.8 | 44% | 0.435 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 138.5 | 173.1 | -71.6 | -94.9 | 0 | 0 | 0 | 111.3 | V1859 F1860 S1869 | V1859-H1865 WeakPolarHBondContact O-CA 3.45Å; F1860-H1865 AromaticContact CE1-CD2 3.76Å; F1860-H1865 AromaticContact CE1-CE1 3.6Å; F1860-H1865 AromaticContact CE1-ND1 3.98Å; F1860-H1865 AromaticContact CE1-NE2 3.45Å; F1860-H1865 WeakPolarHBondContact CE1-NE2 3.47Å; F1860-H1865 AromaticContact CZ-CE1 3.95Å; H1865-S1869 PolarHBondContact ND1-OG 3.3Å |
| 1866 | I | 79.5 | Confident | 74.1 | Confident | 18 Ų | 18 | 64.5 Ų | 64.5 | 9% | 0.092 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 173.9 | 168.7 | 64.3 | 166.8 | 0 | 0 | 0 | 111.3 | I1811 L1819 V1859 R1861 N1868 S1869 | I1811-I1866 HydrophobicContact CD1-CD1 3.73Å; I1811-I1866 HydrophobicContact CG1-CD1 4.18Å; I1811-I1866 HydrophobicContact CG2-CD1 4.05Å; L1819-I1866 HydrophobicContact CD2-CG2 3.9Å; V1859-I1866 HydrophobicContact CB-CD1 3.82Å; V1859-I1866 HydrophobicContact CB-CG1 3.89Å; V1859-I1866 HydrophobicContact CG1-CD1 3.51Å; V1859-I1866 HydrophobicContact CG1-CG1 3.9Å; V1859-I1866 PolarHBondContact O-N 3.26Å; V1859-I1866 VanDerWaalsContact O-N 3.13Å; R1861-I1866 HydrophobicContact CB-CG2 3.93Å; I1866-N1868 PolarHBondContact O-N 2.66Å; I1866-S1869 VanDerWaalsContact O-CB 3.29Å; I1866-S1869 WeakPolarHBondContact O-CB 3.43Å; I1866-S1869 PolarHBondContact O-N 2.99Å |
| 1867 | A | 67.3 | Low | 73.2 | Confident | 78 Ų | 78 | 68.9 Ų | 68.9 | 65% | 0.645 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 137.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S1869 | A1867-S1869 PolarHBondContact O-N 3.15Š|
| 1868 | N | 68.3 | Low | 72.1 | Confident | 128 Ų | 128 | 76.2 Ų | 76.2 | 68% | 0.684 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 7 | -176.8 | -52.2 | -36.8 | 0 | 0 | 0 | 116.3 | I1866 P1870 F1871 | I1866-N1868 PolarHBondContact O-N 2.66Å; N1868-P1870 CarbonylContact O-C 3.49Å; N1868-F1871 HydrophobicContact CB-CD1 4.38Å; N1868-F1871 HydrophobicContact CB-CE1 3.59Å; N1868-F1871 HydrophobicContact CB-CZ 4.03Å; N1868-F1871 WeakPolarHBondContact O-CD1 3.28Å; N1868-F1871 WeakPolarHBondContact O-CE1 3.38Å |
| 1869 | S | 78.8 | Confident | 71.2 | Confident | 18 Ų | 18 | 79.3 Ų | 79.3 | 13% | 0.126 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -85.6 | 134 | 171.2 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | V1859 H1865 I1866 A1867 | V1859-S1869 PolarHBondContact N-OG 2.91Å; V1859-S1869 WeakPolarHBondContact O-CB 3.19Å; V1859-S1869 PolarHBondContact O-OG 3.09Å; H1865-S1869 PolarHBondContact ND1-OG 3.3Å; I1866-S1869 VanDerWaalsContact O-CB 3.29Å; I1866-S1869 WeakPolarHBondContact O-CB 3.43Å; I1866-S1869 PolarHBondContact O-N 2.99Å; A1867-S1869 PolarHBondContact O-N 3.15Å |
| 1870 | P | 74.6 | Confident | 70.5 | Confident | 57 Ų | 57 | 81.8 Ų | 81.8 | 37% | 0.37 | 42% | 0.422 | S | S | . | . | S | Bend | cis | -82.7 | 149.3 | 0.7 | 31 | -33.8 | 0 | 0 | 0 | 115.6 | F1856 V1857 N1858 N1868 | F1856-P1870 HydrophobicContact CB-CB 4.5Å; F1856-P1870 HydrophobicContact CD1-CB 4.45Å; F1856-P1870 HydrophobicContact CD1-CG 4.29Å; V1857-P1870 CarbonylContact O-C 3.6Å; V1857-P1870 WeakPolarHBondContact O-CA 3.39Å; V1857-P1870 VanDerWaalsContact O-CB 3.31Å; V1857-P1870 WeakPolarHBondContact O-CB 3.4Å; N1858-P1870 VanDerWaalsContact OD1-CB 3.3Å; N1858-P1870 WeakPolarHBondContact OD1-CB 3.44Å; N1868-P1870 CarbonylContact O-C 3.49Å |
| 1871 | F | 78.6 | Confident | 70 | Confident | 28 Ų | 28 | 80 Ų | 80 | 12% | 0.123 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 145.8 | 176.7 | -50.4 | -94.2 | 0 | 0 | 0 | 110.6 | L1809 I1811 F1856 V1857 V1859 N1868 | L1809-F1871 HydrophobicContact CD1-CD2 4.45Å; L1809-F1871 HydrophobicContact CD2-CB 4.01Å; L1809-F1871 HydrophobicContact CD2-CD1 4.43Å; L1809-F1871 HydrophobicContact CD2-CD2 4.25Å; L1809-F1871 HydrophobicContact CD2-CG 3.98Å; I1811-F1871 HydrophobicContact CD1-CE1 4.43Å; I1811-F1871 HydrophobicContact CD1-CE2 3.88Å; I1811-F1871 HydrophobicContact CD1-CZ 3.63Å; I1811-F1871 HydrophobicContact CG1-CE1 4.11Å; I1811-F1871 HydrophobicContact CG1-CE2 4.37Å; I1811-F1871 HydrophobicContact CG1-CZ 3.61Å; F1856-F1871 CarbonylContact C-O 3.57Å; F1856-F1871 WeakPolarHBondContact CA-O 3.33Å; V1857-F1871 HydrophobicContact CB-CB 4.28Å; V1857-F1871 HydrophobicContact CG1-CD2 4.44Å; V1857-F1871 PolarHBondContact N-O 3.07Å; V1857-F1871 PolarHBondContact O-N 3Å; V1859-F1871 HydrophobicContact CB-CE2 4.32Å; V1859-F1871 HydrophobicContact CG2-CD2 4.28Å; V1859-F1871 HydrophobicContact CG2-CE2 3.96Å; N1868-F1871 HydrophobicContact CB-CD1 4.38Å; N1868-F1871 HydrophobicContact CB-CE1 3.59Å; N1868-F1871 HydrophobicContact CB-CZ 4.03Å; N1868-F1871 WeakPolarHBondContact O-CD1 3.28Å; N1868-F1871 WeakPolarHBondContact O-CE1 3.38Å |
| 1872 | K | 78 | Confident | 69.9 | Low | 119 Ų | 119 | 79.8 Ų | 79.8 | 52% | 0.517 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 139.8 | 178.6 | -74.6 | 157.2 | 164.1 | -81.6 | 0 | 111.5 | E1854 H1855 F1856 | E1854-K1872 HydrophobicContact CG-CB 4.3Å; E1854-K1872 HydrophobicContact CG-CG 4.28Å; E1854-K1872 WeakPolarHBondContact OE1-CD 3.3Å; E1854-K1872 IonicContact OE1-NZ 2.82Å; E1854-K1872 PolarHBondContact OE1-NZ 2.93Å; E1854-K1872 IonicContact OE2-NZ 2.84Å; E1854-K1872 PolarHBondContact OE2-NZ 2.82Å; H1855-K1872 WeakPolarHBondContact O-CA 3.2Å; F1856-K1872 HydrophobicContact CD1-CG 4.08Å; F1856-K1872 HydrophobicContact CE1-CD 4.38Å; F1856-K1872 HydrophobicContact CE1-CG 3.77Å; F1856-K1872 HydrophobicContact CZ-CG 4.21Å |
| 1873 | I | 73.7 | Confident | 70.4 | Confident | 14 Ų | 14 | 73.3 Ų | 73.3 | 7% | 0.072 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 148.1 | 174.7 | -53.9 | -167.6 | 0 | 0 | 0 | 108.1 | M1807 I1845 F1847 E1854 H1855 V1857 | M1807-I1873 HydrophobicContact CB-CD1 4.48Å; M1807-I1873 HydrophobicContact CE-CD1 3.73Å; M1807-I1873 HydrophobicContact CE-CG1 3.62Å; M1807-I1873 HydrophobicContact SD-CB 4.38Å; M1807-I1873 HydrophobicContact SD-CD1 3.93Å; M1807-I1873 HydrophobicContact SD-CG1 3.96Å; M1807-I1873 HydrophobicContact SD-CG2 3.81Å; I1845-I1873 HydrophobicContact CG2-CD1 4.15Å; F1847-I1873 HydrophobicContact CE1-CD1 3.76Å; F1847-I1873 HydrophobicContact CE1-CG2 4.14Å; F1847-I1873 HydrophobicContact CZ-CD1 4.34Å; F1847-I1873 HydrophobicContact CZ-CG2 3.94Å; E1854-I1873 CarbonylContact C-O 3.6Å; E1854-I1873 VanDerWaalsContact CA-O 3.26Å; E1854-I1873 WeakPolarHBondContact CA-O 3.41Å; H1855-I1873 HydrophobicContact CB-CB 4.39Å; H1855-I1873 PolarHBondContact N-O 3.35Å; H1855-I1873 PolarHBondContact O-N 3.13Å; V1857-I1873 HydrophobicContact CG2-CD1 3.47Å; V1857-I1873 VanDerWaalsContact CG2-CD1 3.47Å; V1857-I1873 HydrophobicContact CG2-CG1 3.97Å |
| 1874 | Y | 74 | Confident | 71.3 | Confident | 166 Ų | 166 | 73.9 Ų | 73.9 | 65% | 0.651 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 138.9 | 176.7 | -170.9 | -82.3 | 0 | 0 | 0 | 110.4 | E1854 | E1854-Y1874 HydrophobicContact CB-CD2 4.39Å |
| 1875 | V | 70.4 | Confident | 72 | Confident | 4 Ų | 4 | 69.5 Ų | 69.5 | 2% | 0.024 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 138.2 | -177.7 | -176.9 | 0 | 0 | 0 | 0 | 110.7 | F1847 P1849 G1853 E1879 | F1847-V1875 HydrophobicContact CZ-CG2 4.44Å; P1849-V1875 HydrophobicContact CB-CB 4.25Å; P1849-V1875 HydrophobicContact CB-CG1 3.7Å; P1849-V1875 HydrophobicContact CB-CG2 3.64Å; P1849-V1875 HydrophobicContact CG-CG1 3.77Å; P1849-V1875 HydrophobicContact CG-CG2 4.24Å; G1853-V1875 PolarHBondContact N-O 2.82Å; G1853-V1875 PolarHBondContact O-N 2.84Å; V1875-E1879 WeakPolarHBondContact CA-OE2 3.4Å; V1875-E1879 HydrophobicContact CG1-CB 4.01Å |
| 1876 | G | 66.5 | Low | 72.2 | Confident | 24 Ų | 24 | 65.3 Ų | 65.3 | 25% | 0.247 | 35% | 0.348 | C | S | . | . | trans | -106 | 167.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | N1878 E1879 | G1876-N1878 VanDerWaalsContact C-N 3.28Å; G1876-N1878 PolarHBondContact O-N 3.34Å; G1876-E1879 PolarHBondContact N-OE2 2.74Å; G1876-E1879 PolarHBondContact O-N 3.04Å; G1876-E1879 VanDerWaalsContact O-N 3.12Å | ||
| 1877 | E | 63.9 | Low | 72.3 | Confident | 155 Ų | 155 | 72.6 Ų | 72.6 | 72% | 0.724 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -58.2 | -31 | -174.7 | -72.9 | -178.8 | 138.8 | 0 | 0 | 115.2 | I1852 E1879 | I1852-E1877 HydrophobicContact CD1-CG 3.73Å; I1852-E1877 HydrophobicContact CG1-CG 4.46Å; E1877-E1879 VanDerWaalsContact C-N 3.28Å; E1877-E1879 PolarHBondContact O-N 2.77Å |
| 1878 | N | 58.2 | Low | 73.3 | Confident | 154 Ų | 154 | 70.2 Ų | 70.2 | 82% | 0.824 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -81.3 | -6 | -178.1 | -67.4 | -40.1 | 0 | 0 | 0 | 113.6 | G1876 | G1876-N1878 VanDerWaalsContact C-N 3.28Å; G1876-N1878 PolarHBondContact O-N 3.34Å |
| 1879 | E | 62.7 | Low | 74 | Confident | 81 Ų | 81 | 69.8 Ų | 69.8 | 38% | 0.379 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -97.8 | 5.2 | -174.3 | -62.7 | 168.4 | 156.6 | 0 | 0 | 112.3 | V1875 G1876 E1877 | V1875-E1879 WeakPolarHBondContact CA-OE2 3.4Å; V1875-E1879 HydrophobicContact CG1-CB 4.01Å; G1876-E1879 PolarHBondContact N-OE2 2.74Å; G1876-E1879 PolarHBondContact O-N 3.04Å; G1876-E1879 VanDerWaalsContact O-N 3.12Å; E1877-E1879 VanDerWaalsContact C-N 3.28Å; E1877-E1879 PolarHBondContact O-N 2.77Å |
| 1880 | I | 66.1 | Low | 74 | Confident | 51 Ų | 51 | 70.3 Ų | 70.3 | 26% | 0.262 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -111.1 | 129.8 | -178.3 | -59.7 | 176.2 | 0 | 0 | 0 | 109.9 | I1852 | I1852-I1880 HydrophobicContact CD1-CD1 4.49Å; I1852-I1880 HydrophobicContact CG1-CD1 3.55Å |
| 1881 | G | 65.9 | Low | 74 | Confident | 12 Ų | 12 | 73.6 Ų | 73.6 | 12% | 0.124 | 36% | 0.363 | C | S | . | . | trans | -67.5 | 144.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | A1911 Y1913 | G1881-A1911 CarbonylContact C-O 3.58Å; G1881-A1911 WeakPolarHBondContact CA-O 3.46Å; G1881-Y1913 VanDerWaalsContact CA-O 3.23Å; G1881-Y1913 WeakPolarHBondContact CA-O 3.32Å; G1881-Y1913 PolarHBondContact N-O 3.14Å | ||
| 1882 | N | 73.6 | Confident | 74 | Confident | 60 Ų | 60 | 72.3 Ų | 72.3 | 32% | 0.321 | 36% | 0.358 | S | S | . | . | trans | -135.8 | 105.1 | -176.4 | -177.1 | -26.1 | 0 | 0 | 0 | 111.4 | S1884 K1885 A1911 | N1882-S1884 PolarHBondContact O-N 2.81Å; N1882-S1884 WeakPolarHBondContact OD1-CB 3.48Å; N1882-S1884 PolarHBondContact OD1-N 2.72Å; N1882-S1884 VanDerWaalsContact OD1-N 3.07Å; N1882-S1884 PolarHBondContact OD1-OG 2.8Å; N1882-K1885 PolarHBondContact O-N 2.78Å; N1882-A1911 PolarHBondContact N-O 2.9Å | ||
| 1883 | A | 76.9 | Confident | 74.2 | Confident | 2 Ų | 2 | 67.5 Ų | 67.5 | 2% | 0.017 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -57.2 | -30.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K1885 V1886 Q1959 V1961 P1962 | A1883-K1885 PolarHBondContact O-N 2.77Å; A1883-V1886 PolarHBondContact O-N 2.9Å; A1883-V1886 VanDerWaalsContact O-N 3.1Å; A1883-Q1959 HydrophobicContact CB-CB 3.75Å; A1883-Q1959 WeakPolarHBondContact CB-O 3.39Å; A1883-V1961 HydrophobicContact CB-CG1 4.22Å; A1883-P1962 WeakPolarHBondContact O-CD 3.34Å |
| 1884 | S | 77.9 | Confident | 74.4 | Confident | 83 Ų | 83 | 75.9 Ų | 75.9 | 58% | 0.58 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -65.7 | -12.8 | -177.3 | 72.4 | 0 | 0 | 0 | 0 | 114.4 | N1882 | N1882-S1884 PolarHBondContact O-N 2.81Å; N1882-S1884 WeakPolarHBondContact OD1-CB 3.48Å; N1882-S1884 PolarHBondContact OD1-N 2.72Å; N1882-S1884 VanDerWaalsContact OD1-N 3.07Å; N1882-S1884 PolarHBondContact OD1-OG 2.8Å |
| 1885 | K | 80.4 | Confident | 74.5 | Confident | 114 Ų | 114 | 74.3 Ų | 74.3 | 50% | 0.496 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -100.9 | -5.2 | 177.3 | -61.3 | -176 | -175.8 | 174.7 | 0 | 114.1 | N1882 A1883 N1910 A1911 | N1882-K1885 PolarHBondContact O-N 2.78Å; A1883-K1885 PolarHBondContact O-N 2.77Å; K1885-N1910 HydrophobicContact CB-CB 4.45Å; K1885-N1910 WeakPolarHBondContact CD-O 3.27Å; K1885-A1911 HydrophobicContact CB-CB 4.32Å |
| 1886 | V | 81.2 | Confident | 74.6 | Confident | 6 Ų | 6 | 75.1 Ų | 75.1 | 4% | 0.036 | 38% | 0.376 | C | S | . | . | trans | -76.2 | 141.8 | 173.5 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | A1883 I1888 V1906 D1907 T1908 A1911 Y1956 V1961 | A1883-V1886 PolarHBondContact O-N 2.9Å; A1883-V1886 VanDerWaalsContact O-N 3.1Å; V1886-I1888 HydrophobicContact CG1-CG1 4.28Å; V1886-V1906 HydrophobicContact CG1-CG1 3.62Å; V1886-D1907 WeakPolarHBondContact CA-O 3.31Å; V1886-T1908 HydrophobicContact CG1-CG2 4.35Å; V1886-T1908 HydrophobicContact CG2-CG2 4.48Å; V1886-A1911 HydrophobicContact CG2-CB 3.66Å; V1886-Y1956 HydrophobicContact CG2-CD1 3.76Å; V1886-Y1956 HydrophobicContact CG2-CD2 4.01Å; V1886-Y1956 HydrophobicContact CG2-CE1 4.3Å; V1886-Y1956 HydrophobicContact CG2-CG 3.59Å; V1886-V1961 HydrophobicContact CB-CB 4.4Å; V1886-V1961 HydrophobicContact CB-CG1 3.97Å; V1886-V1961 HydrophobicContact CG1-CG1 4.04Å; V1886-V1961 HydrophobicContact CG2-CG1 4.36Å | ||
| 1887 | R | 81 | Confident | 74.8 | Confident | 170 Ų | 170 | 78.3 Ų | 78.3 | 64% | 0.642 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 143.1 | 176.1 | -63.5 | 177.2 | 175.6 | 176.8 | -1.9 | 109.9 | D1907 | R1887-D1907 HydrophobicContact CB-CB 4.33Å; R1887-D1907 PolarHBondContact N-O 3.43Å; R1887-D1907 PolarHBondContact O-N 3.27Å |
| 1888 | I | 87.8 | Confident | 74.9 | Confident | 29 Ų | 29 | 71.4 Ų | 71.4 | 15% | 0.149 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 136.7 | -179.1 | -54.6 | -168 | 0 | 0 | 0 | 109.6 | V1886 L1893 F1904 T1905 V1906 V1954 V1961 F1966 | V1886-I1888 HydrophobicContact CG1-CG1 4.28Å; I1888-L1893 HydrophobicContact CG2-CD1 3.7Å; I1888-L1893 HydrophobicContact CG2-CD2 4.2Å; I1888-F1904 HydrophobicContact CG2-CD2 3.65Å; I1888-F1904 HydrophobicContact CG2-CE2 4.02Å; I1888-T1905 VanDerWaalsContact CA-O 3.31Å; I1888-T1905 WeakPolarHBondContact CA-O 3.28Å; I1888-T1905 WeakPolarHBondContact CG2-O 3.37Å; I1888-V1906 HydrophobicContact CD1-CG1 4.18Å; I1888-V1906 HydrophobicContact CD1-CG2 3.9Å; I1888-V1906 HydrophobicContact CG1-CB 4.4Å; I1888-V1906 HydrophobicContact CG1-CG1 4.1Å; I1888-V1906 HydrophobicContact CG1-CG2 4.1Å; I1888-V1906 HydrophobicContact CG2-CG2 4.31Å; I1888-V1954 HydrophobicContact CD1-CB 3.79Å; I1888-V1954 HydrophobicContact CD1-CG1 3.47Å; I1888-V1954 VanDerWaalsContact CD1-CG1 3.47Å; I1888-V1954 HydrophobicContact CD1-CG2 3.92Å; I1888-V1961 HydrophobicContact CD1-CG2 3.48Å; I1888-V1961 VanDerWaalsContact CD1-CG2 3.48Å; I1888-V1961 HydrophobicContact CG1-CG2 4.3Å; I1888-F1966 HydrophobicContact CB-CZ 4.18Å; I1888-F1966 HydrophobicContact CD1-CE2 4.26Å; I1888-F1966 HydrophobicContact CG2-CE2 4.47Å; I1888-F1966 HydrophobicContact CG2-CZ 4.38Å |
| 1889 | Y | 83.1 | Confident | 75.3 | Confident | 118 Ų | 118 | 66.7 Ų | 66.7 | 46% | 0.463 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 145.7 | -177.6 | 54.2 | -89.4 | 0 | 0 | 0 | 112.3 | T1905 D1907 | Y1889-T1905 HydrophobicContact CE2-CG2 4.2Å; Y1889-T1905 PolarHBondContact N-O 3.35Å; Y1889-T1905 PolarHBondContact O-N 2.79Å; Y1889-D1907 HydrophobicContact CE1-CB 4.38Å |
| 1890 | G | 79.6 | Confident | 75.8 | Confident | 29 Ų | 29 | 68.6 Ų | 68.6 | 30% | 0.299 | 34% | 0.339 | S | S | . | . | trans | 154.2 | 164.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1891 | N | 73.6 | Confident | 76.4 | Confident | 126 Ų | 126 | 71.3 Ų | 71.3 | 67% | 0.674 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -73.6 | -32.6 | -178.8 | -72.7 | 12.7 | 0 | 0 | 0 | 112.1 | L1893 R1894 E1895 | N1891-L1893 PolarHBondContact O-N 3.35Å; N1891-R1894 PolarHBondContact O-N 2.81Å; N1891-E1895 PolarHBondContact O-N 3.05Å |
| 1892 | G | 78.5 | Confident | 77 | Confident | 2 Ų | 2 | 71.2 Ų | 71.2 | 2% | 0.021 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -68.2 | 23.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115 | Q1903 Y1942 I1952 | G1892-Q1903 PolarHBondContact N-O 2.86Å; G1892-Y1942 WeakPolarHBondContact O-CE1 3.4Å; G1892-Y1942 PolarHBondContact O-OH 2.92Å; G1892-I1952 WeakPolarHBondContact O-CD1 3.19Å |
| 1893 | L | 82.8 | Confident | 77.7 | Confident | 18 Ų | 18 | 73.8 Ų | 73.8 | 9% | 0.094 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -118.9 | 9 | 169.2 | -58.6 | 166.6 | 0 | 0 | 0 | 111.3 | I1888 N1891 F1904 I1952 F1966 | I1888-L1893 HydrophobicContact CG2-CD1 3.7Å; I1888-L1893 HydrophobicContact CG2-CD2 4.2Å; N1891-L1893 PolarHBondContact O-N 3.35Å; L1893-F1904 HydrophobicContact CD1-CB 3.9Å; L1893-F1904 HydrophobicContact CD1-CD2 4.49Å; L1893-F1904 HydrophobicContact CD1-CG 4.32Å; L1893-F1904 HydrophobicContact CD2-CB 4.01Å; L1893-F1904 HydrophobicContact CD2-CD1 3.75Å; L1893-F1904 HydrophobicContact CD2-CD2 3.83Å; L1893-F1904 HydrophobicContact CD2-CE1 4.1Å; L1893-F1904 HydrophobicContact CD2-CE2 4.15Å; L1893-F1904 HydrophobicContact CD2-CG 3.6Å; L1893-F1904 HydrophobicContact CD2-CZ 4.27Å; L1893-F1904 HydrophobicContact CG-CB 3.66Å; L1893-F1904 HydrophobicContact CG-CD1 4.23Å; L1893-F1904 HydrophobicContact CG-CD2 4.36Å; L1893-F1904 HydrophobicContact CG-CG 3.86Å; L1893-I1952 HydrophobicContact CD2-CD1 4.45Å; L1893-F1966 HydrophobicContact CB-CD1 4.49Å; L1893-F1966 HydrophobicContact CD2-CB 4.26Å; L1893-F1966 HydrophobicContact CD2-CD1 4.37Å; L1893-F1966 HydrophobicContact CD2-CD2 4.07Å; L1893-F1966 HydrophobicContact CD2-CG 3.98Å |
| 1894 | R | 77.2 | Confident | 78.4 | Confident | 190 Ų | 190 | 73.8 Ų | 73.8 | 72% | 0.717 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.4 | -54.6 | -174.4 | -62.5 | -175.7 | 175.9 | -138.8 | -4 | 112.5 | N1891 V1968 H1969 | N1891-R1894 PolarHBondContact O-N 2.81Å; R1894-V1968 WeakPolarHBondContact O-CA 3.36Å; R1894-H1969 PolarHBondContact O-N 2.82Å; R1894-H1969 VanDerWaalsContact O-N 3.17Å |
| 1895 | E | 77.9 | Confident | 78.8 | Confident | 132 Ų | 132 | 71.1 Ų | 71.1 | 62% | 0.617 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148 | 163.5 | -173 | 67.1 | -159.6 | 151.1 | 0 | 0 | 112.8 | N1891 H1969 | N1891-E1895 PolarHBondContact O-N 3.05Å; E1895-H1969 WeakPolarHBondContact CA-O 3.42Å |
| 1896 | G | 71.7 | Confident | 79.2 | Confident | 21 Ų | 21 | 65.7 Ų | 65.7 | 22% | 0.216 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.6 | -175.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | H1969 I1970 G1971 | G1896-H1969 PolarHBondContact N-O 2.69Å; G1896-I1970 WeakPolarHBondContact O-CA 3.42Å; G1896-G1971 PolarHBondContact O-N 3.22Å |
| 1897 | M | 71.8 | Confident | 79.4 | Confident | 92 Ų | 92 | 66 Ų | 66 | 45% | 0.453 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 143 | -179.8 | -73.4 | -68.5 | -178.7 | 0 | 0 | 111.3 | Q1900 G1971 | M1897-Q1900 HydrophobicContact CB-CB 4.21Å; M1897-Q1900 HydrophobicContact CB-CG 4.01Å; M1897-Q1900 PolarHBondContact O-N 2.66Å; M1897-Q1900 VanDerWaalsContact O-N 3.14Å; M1897-G1971 CarbonylContact C-O 3.34Å; M1897-G1971 WeakPolarHBondContact CA-O 3.3Å; M1897-G1971 VanDerWaalsContact SD-C 3.54Å |
| 1898 | A | 65.3 | Low | 79.5 | Confident | 10 Ų | 10 | 59.3 Ų | 59.3 | 8% | 0.083 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 139 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q1900 P1944 I1970 G1971 | A1898-Q1900 PolarHBondContact O-N 2.66Å; A1898-P1944 CarbonylContact C-O 3.51Å; A1898-P1944 WeakPolarHBondContact CA-O 3.47Å; A1898-I1970 HydrophobicContact CB-CG2 4.34Å; A1898-G1971 WeakPolarHBondContact CB-O 3.16Å; A1898-G1971 PolarHBondContact N-O 2.85Å |
| 1899 | N | 65.5 | Low | 79 | Confident | 54 Ų | 54 | 64 Ų | 64 | 29% | 0.289 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 9.6 | -174.9 | -48.2 | -64.9 | 0 | 0 | 0 | 115.1 | R1943 P1944 E1973 | N1899-R1943 VanDerWaalsContact O-CZ 3.27Å; N1899-R1943 PolarHBondContact O-NE 3.08Å; N1899-R1943 PolarHBondContact O-NH2 2.79Å; N1899-P1944 PolarHBondContact N-O 3.12Å; N1899-E1973 PolarHBondContact ND2-O 3.26Å; N1899-E1973 VanDerWaalsContact ND2-O 3.17Å |
| 1900 | Q | 73.2 | Confident | 78.6 | Confident | 121 Ų | 121 | 63.5 Ų | 63.5 | 57% | 0.565 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -112.6 | 154.8 | 173.3 | -61.5 | -172 | -3 | 0 | 0 | 112.7 | M1897 A1898 | M1897-Q1900 HydrophobicContact CB-CB 4.21Å; M1897-Q1900 HydrophobicContact CB-CG 4.01Å; M1897-Q1900 PolarHBondContact O-N 2.66Å; M1897-Q1900 VanDerWaalsContact O-N 3.14Å; A1898-Q1900 PolarHBondContact O-N 2.66Å |
| 1901 | N | 80.1 | Confident | 78.1 | Confident | 108 Ų | 108 | 62.2 Ų | 62.2 | 58% | 0.578 | 31% | 0.305 | S | S | * | . | trans | -81.5 | 121.5 | 178.9 | -74 | 11.7 | 0 | 0 | 0 | 111.1 | T1941 R1943 | N1901-T1941 HydrophobicContact CB-CG2 3.98Å; N1901-R1943 VanDerWaalsContact OD1-CD 3.32Å; N1901-R1943 WeakPolarHBondContact OD1-CD 3.44Å; N1901-R1943 WeakPolarHBondContact OD1-CG 3.34Å | ||
| 1902 | C | 78.9 | Confident | 77.7 | Confident | 10 Ų | 10 | 58 Ų | 58 | 7% | 0.068 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 137.6 | 174 | -61.5 | 0 | 0 | 0 | 0 | 109.9 | T1941 Y1942 | C1902-T1941 CarbonylContact O-C 3.6Å; C1902-T1941 WeakPolarHBondContact O-CA 3.29Å; C1902-Y1942 HydrophobicContact CB-CD1 4.01Å; C1902-Y1942 HydrophobicContact CB-CD2 4.17Å; C1902-Y1942 HydrophobicContact CB-CE1 3.47Å; C1902-Y1942 VanDerWaalsContact CB-CE1 3.47Å; C1902-Y1942 HydrophobicContact CB-CE2 3.66Å; C1902-Y1942 HydrophobicContact CB-CG 4.32Å; C1902-Y1942 WeakPolarHBondContact CB-OH 3.5Å; C1902-Y1942 PolarHBondContact N-O 2.83Å; C1902-Y1942 PolarHBondContact O-N 2.84Å |
| 1903 | Q | 88 | Confident | 77 | Confident | 114 Ų | 114 | 62.7 Ų | 62.7 | 53% | 0.533 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 148 | -173.4 | 59.6 | 174 | -16.9 | 0 | 0 | 115 | G1892 V1940 | G1892-Q1903 PolarHBondContact N-O 2.86Å; Q1903-V1940 CarbonylContact C-O 3.47Å; Q1903-V1940 VanDerWaalsContact CA-O 3.27Å; Q1903-V1940 WeakPolarHBondContact CA-O 3.27Å |
| 1904 | F | 91.2 | Very high | 76.1 | Confident | 3 Ų | 3 | 62 Ų | 62 | 1% | 0.013 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 161.6 | 173.4 | 68.3 | -94.3 | 0 | 0 | 0 | 112.9 | I1888 L1893 V1906 L1918 V1940 Y1942 I1952 | I1888-F1904 HydrophobicContact CG2-CD2 3.65Å; I1888-F1904 HydrophobicContact CG2-CE2 4.02Å; L1893-F1904 HydrophobicContact CD1-CB 3.9Å; L1893-F1904 HydrophobicContact CD1-CD2 4.49Å; L1893-F1904 HydrophobicContact CD1-CG 4.32Å; L1893-F1904 HydrophobicContact CD2-CB 4.01Å; L1893-F1904 HydrophobicContact CD2-CD1 3.75Å; L1893-F1904 HydrophobicContact CD2-CD2 3.83Å; L1893-F1904 HydrophobicContact CD2-CE1 4.1Å; L1893-F1904 HydrophobicContact CD2-CE2 4.15Å; L1893-F1904 HydrophobicContact CD2-CG 3.6Å; L1893-F1904 HydrophobicContact CD2-CZ 4.27Å; L1893-F1904 HydrophobicContact CG-CB 3.66Å; L1893-F1904 HydrophobicContact CG-CD1 4.23Å; L1893-F1904 HydrophobicContact CG-CD2 4.36Å; L1893-F1904 HydrophobicContact CG-CG 3.86Å; F1904-V1906 HydrophobicContact CD2-CG2 4.25Å; F1904-V1906 HydrophobicContact CE2-CG2 3.95Å; F1904-L1918 HydrophobicContact CE2-CD2 4.3Å; F1904-L1918 HydrophobicContact CZ-CD2 4.16Å; F1904-V1940 HydrophobicContact CD1-CB 4.19Å; F1904-V1940 HydrophobicContact CD1-CG1 4.38Å; F1904-V1940 HydrophobicContact CD2-CB 4.02Å; F1904-V1940 HydrophobicContact CD2-CG2 4.16Å; F1904-V1940 HydrophobicContact CE1-CB 3.91Å; F1904-V1940 HydrophobicContact CE1-CG1 3.69Å; F1904-V1940 HydrophobicContact CE2-CB 3.75Å; F1904-V1940 HydrophobicContact CE2-CG1 4.13Å; F1904-V1940 HydrophobicContact CE2-CG2 3.69Å; F1904-V1940 HydrophobicContact CG-CB 4.25Å; F1904-V1940 HydrophobicContact CZ-CB 3.69Å; F1904-V1940 HydrophobicContact CZ-CG1 3.56Å; F1904-V1940 HydrophobicContact CZ-CG2 3.99Å; F1904-V1940 PolarHBondContact N-O 2.71Å; F1904-V1940 WeakPolarHBondContact O-CA 3.35Å; F1904-V1940 PolarHBondContact O-N 2.87Å; F1904-Y1942 HydrophobicContact CD1-CE1 4.26Å; F1904-Y1942 HydrophobicContact CE1-CD1 4.27Å; F1904-Y1942 HydrophobicContact CE1-CE1 4.25Å; F1904-I1952 HydrophobicContact CD1-CD1 4.5Å; F1904-I1952 HydrophobicContact CE1-CD1 3.99Å; F1904-I1952 HydrophobicContact CE1-CG2 4.01Å; F1904-I1952 HydrophobicContact CZ-CG2 3.81Å |
| 1905 | T | 86.8 | Confident | 75.5 | Confident | 27 Ų | 27 | 54.6 Ų | 54.6 | 17% | 0.166 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 141.7 | -175.4 | -49.7 | 0 | 0 | 0 | 0 | 111.4 | I1888 Y1889 C1938 | I1888-T1905 VanDerWaalsContact CA-O 3.31Å; I1888-T1905 WeakPolarHBondContact CA-O 3.28Å; I1888-T1905 WeakPolarHBondContact CG2-O 3.37Å; Y1889-T1905 HydrophobicContact CE2-CG2 4.2Å; Y1889-T1905 PolarHBondContact N-O 3.35Å; Y1889-T1905 PolarHBondContact O-N 2.79Å; T1905-C1938 WeakPolarHBondContact CA-O 3.5Å |
| 1906 | V | 88.7 | Confident | 75.4 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 119.6 | 175.6 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | V1886 I1888 F1904 T1908 L1916 T1937 C1938 V1940 | V1886-V1906 HydrophobicContact CG1-CG1 3.62Å; I1888-V1906 HydrophobicContact CD1-CG1 4.18Å; I1888-V1906 HydrophobicContact CD1-CG2 3.9Å; I1888-V1906 HydrophobicContact CG1-CB 4.4Å; I1888-V1906 HydrophobicContact CG1-CG1 4.1Å; I1888-V1906 HydrophobicContact CG1-CG2 4.1Å; I1888-V1906 HydrophobicContact CG2-CG2 4.31Å; F1904-V1906 HydrophobicContact CD2-CG2 4.25Å; F1904-V1906 HydrophobicContact CE2-CG2 3.95Å; V1906-T1908 HydrophobicContact CG1-CG2 3.98Å; V1906-L1916 HydrophobicContact CB-CD2 4.19Å; V1906-L1916 HydrophobicContact CG1-CD1 3.89Å; V1906-L1916 HydrophobicContact CG1-CD2 3.97Å; V1906-L1916 HydrophobicContact CG2-CD2 4.3Å; V1906-T1937 CarbonylContact O-C 3.6Å; V1906-T1937 WeakPolarHBondContact O-CA 3.44Å; V1906-C1938 PolarHBondContact N-O 2.92Å; V1906-C1938 PolarHBondContact O-N 3.39Å; V1906-V1940 HydrophobicContact CG2-CG2 3.99Å |
| 1907 | D | 84.6 | Confident | 75.5 | Confident | 11 Ų | 11 | 48.2 Ų | 48.2 | 6% | 0.059 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 115.5 | 176.7 | 177.9 | 4.1 | 0 | 0 | 0 | 110.8 | V1886 R1887 Y1889 R1909 T1937 | V1886-D1907 WeakPolarHBondContact CA-O 3.31Å; R1887-D1907 HydrophobicContact CB-CB 4.33Å; R1887-D1907 PolarHBondContact N-O 3.43Å; R1887-D1907 PolarHBondContact O-N 3.27Å; Y1889-D1907 HydrophobicContact CE1-CB 4.38Å; D1907-R1909 VanDerWaalsContact CG-NH2 3.29Å; D1907-R1909 WeakPolarHBondContact OD1-CB 3.23Å; D1907-R1909 WeakPolarHBondContact OD1-CG 3.39Å; D1907-R1909 IonicContact OD1-CZ 2.68Å; D1907-R1909 PolarHBondContact OD1-N 2.79Å; D1907-R1909 VanDerWaalsContact OD1-N 3.09Å; D1907-R1909 IonicContact OD1-NE 2.76Å; D1907-R1909 PolarHBondContact OD1-NE 3.24Å; D1907-R1909 IonicContact OD1-NH2 3.09Å; D1907-R1909 IonicContact OD2-CZ 3.18Å; D1907-R1909 IonicContact OD2-NE 2.82Å; D1907-R1909 PolarHBondContact OD2-NE 2.87Å; D1907-R1909 IonicContact OD2-NH2 2.73Å; D1907-R1909 PolarHBondContact OD2-NH2 2.86Å; D1907-T1937 HydrophobicContact CB-CG2 3.99Å |
| 1908 | T | 82.5 | Confident | 75.8 | Confident | 30 Ų | 30 | 44 Ų | 44 | 18% | 0.184 | 23% | 0.233 | C | C | . | . | trans | -110.2 | 0.9 | -176.5 | 70.2 | 0 | 0 | 0 | 0 | 113.4 | V1886 V1906 N1910 A1911 G1936 Y1956 | V1886-T1908 HydrophobicContact CG1-CG2 4.35Å; V1886-T1908 HydrophobicContact CG2-CG2 4.48Å; V1906-T1908 HydrophobicContact CG1-CG2 3.98Å; T1908-N1910 PolarHBondContact O-N 2.97Å; T1908-A1911 VanDerWaalsContact O-CB 3.28Å; T1908-A1911 WeakPolarHBondContact O-CB 3.28Å; T1908-A1911 PolarHBondContact O-N 3.48Å; T1908-G1936 PolarHBondContact N-O 2.83Å; T1908-G1936 PolarHBondContact OG1-O 3.02Å; T1908-Y1956 HydrophobicContact CG2-CD2 4.17Å; T1908-Y1956 HydrophobicContact CG2-CE2 3.76Å | ||
| 1909 | R | 78.7 | Confident | 76.3 | Confident | 128 Ų | 128 | 44 Ų | 44 | 48% | 0.483 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -17.6 | -167.8 | -71 | 174.5 | -69.2 | -158.6 | 3.7 | 115.9 | D1907 D1935 | D1907-R1909 VanDerWaalsContact CG-NH2 3.29Å; D1907-R1909 WeakPolarHBondContact OD1-CB 3.23Å; D1907-R1909 WeakPolarHBondContact OD1-CG 3.39Å; D1907-R1909 IonicContact OD1-CZ 2.68Å; D1907-R1909 PolarHBondContact OD1-N 2.79Å; D1907-R1909 VanDerWaalsContact OD1-N 3.09Å; D1907-R1909 IonicContact OD1-NE 2.76Å; D1907-R1909 PolarHBondContact OD1-NE 3.24Å; D1907-R1909 IonicContact OD1-NH2 3.09Å; D1907-R1909 IonicContact OD2-CZ 3.18Å; D1907-R1909 IonicContact OD2-NE 2.82Å; D1907-R1909 PolarHBondContact OD2-NE 2.87Å; D1907-R1909 IonicContact OD2-NH2 2.73Å; D1907-R1909 PolarHBondContact OD2-NH2 2.86Å; R1909-D1935 WeakPolarHBondContact CD-O 3.33Å; R1909-D1935 WeakPolarHBondContact CG-O 3.46Å; R1909-D1935 IonicContact CZ-OD2 2.56Å; R1909-D1935 IonicContact NE-OD2 3.36Å; R1909-D1935 IonicContact NH1-OD2 3.67Å; R1909-D1935 PolarHBondContact NH1-OD2 3.2Å |
| 1910 | N | 74.5 | Confident | 76.9 | Confident | 107 Ų | 107 | 42.2 Ų | 42.2 | 57% | 0.572 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112 | 3.4 | -179.2 | -65.3 | -86.5 | 0 | 0 | 0 | 113.6 | K1885 T1908 | K1885-N1910 HydrophobicContact CB-CB 4.45Å; K1885-N1910 WeakPolarHBondContact CD-O 3.27Å; T1908-N1910 PolarHBondContact O-N 2.97Å |
| 1911 | A | 69.2 | Low | 76.5 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 2% | 0.017 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -97.3 | -10.8 | -162 | 0 | 0 | 0 | 0 | 0 | 116.3 | G1881 N1882 K1885 V1886 T1908 Y1956 | G1881-A1911 CarbonylContact C-O 3.58Å; G1881-A1911 WeakPolarHBondContact CA-O 3.46Å; N1882-A1911 PolarHBondContact N-O 2.9Å; K1885-A1911 HydrophobicContact CB-CB 4.32Å; V1886-A1911 HydrophobicContact CG2-CB 3.66Å; T1908-A1911 VanDerWaalsContact O-CB 3.28Å; T1908-A1911 WeakPolarHBondContact O-CB 3.28Å; T1908-A1911 PolarHBondContact O-N 3.48Å; A1911-Y1956 HydrophobicContact CB-CD1 4.16Å; A1911-Y1956 HydrophobicContact CB-CE1 3.55Å |
| 1912 | G | 65.1 | Low | 75.8 | Confident | 37 Ų | 37 | 34.4 Ų | 34.4 | 38% | 0.381 | 19% | 0.193 | S | C | . | . | trans | 92.4 | -157.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y1956 | G1912-Y1956 PolarHBondContact O-OH 3.08Š| ||
| 1913 | Y | 64.6 | Low | 74.6 | Confident | 102 Ų | 102 | 37 Ų | 37 | 40% | 0.4 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -99.3 | 115.5 | 172.7 | -68.4 | -72.5 | 0 | 0 | 0 | 110.9 | G1881 | G1881-Y1913 VanDerWaalsContact CA-O 3.23Å; G1881-Y1913 WeakPolarHBondContact CA-O 3.32Å; G1881-Y1913 PolarHBondContact N-O 3.14Å |
| 1914 | G | 61.9 | Low | 73.1 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | trans | -158.7 | 151.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y1956 | G1914-Y1956 PolarHBondContact N-OH 3.01Å; G1914-Y1956 VanDerWaalsContact O-CE2 3.24Å; G1914-Y1956 WeakPolarHBondContact O-CE2 3.38Å; G1914-Y1956 PolarHBondContact O-OH 3.19Å | ||
| 1915 | G | 65.1 | Low | 71.6 | Confident | 33 Ų | 33 | 38.4 Ų | 38.4 | 34% | 0.34 | 22% | 0.216 | S | C | . | . | trans | -76.2 | 125.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y1956 A1957 | G1915-Y1956 CarbonylContact O-C 3.54Å; G1915-Y1956 WeakPolarHBondContact O-CA 3.45Å; G1915-A1957 PolarHBondContact O-N 2.72Å | ||
| 1916 | L | 75.8 | Confident | 70.6 | Confident | 7 Ų | 7 | 37.4 Ų | 37.4 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 129 | 162.8 | 177.6 | 62.7 | 0 | 0 | 0 | 108.4 | C1800 V1801 V1906 L1918 C1938 V1954 K1955 Y1956 | C1800-L1916 CarbonylContact C-O 3.59Å; C1800-L1916 VanDerWaalsContact CA-O 3.29Å; C1800-L1916 WeakPolarHBondContact CA-O 3.43Å; V1801-L1916 PolarHBondContact N-O 2.99Å; V1801-L1916 WeakPolarHBondContact O-CB 3.49Å; V1801-L1916 PolarHBondContact O-N 3.45Å; V1906-L1916 HydrophobicContact CB-CD2 4.19Å; V1906-L1916 HydrophobicContact CG1-CD1 3.89Å; V1906-L1916 HydrophobicContact CG1-CD2 3.97Å; V1906-L1916 HydrophobicContact CG2-CD2 4.3Å; L1916-L1918 HydrophobicContact CD1-CD2 4.44Å; L1916-L1918 HydrophobicContact CD1-CG 4.45Å; L1916-L1918 HydrophobicContact CD2-CD1 4.2Å; L1916-L1918 HydrophobicContact CG-CD1 4.33Å; L1916-L1918 HydrophobicContact CG-CG 4.19Å; L1916-C1938 HydrophobicContact CD2-CB 4.22Å; L1916-V1954 HydrophobicContact CD1-CG1 3.58Å; L1916-K1955 WeakPolarHBondContact CA-O 3.31Å; L1916-Y1956 HydrophobicContact CB-CD2 4.14Å |
| 1917 | N | 73.3 | Confident | 69.7 | Low | 13 Ų | 13 | 41.6 Ų | 41.6 | 7% | 0.07 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 122.4 | 179.5 | -174.2 | -15.6 | 0 | 0 | 0 | 108.6 | V1799 C1800 K1955 E1958 | V1799-N1917 WeakPolarHBondContact O-CA 3.41Å; C1800-N1917 VanDerWaalsContact SG-CG 3.53Å; N1917-K1955 HydrophobicContact CB-CB 4.3Å; N1917-K1955 PolarHBondContact N-O 3.21Å; N1917-K1955 PolarHBondContact O-N 2.9Å; N1917-E1958 PolarHBondContact ND2-OE1 2.74Å; N1917-E1958 VanDerWaalsContact ND2-OE1 3.15Å |
| 1918 | L | 79.1 | Confident | 69.3 | Low | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 132.9 | -171 | -68.5 | 163.5 | 0 | 0 | 0 | 109.9 | Q1798 V1799 F1904 L1916 C1930 V1940 V1954 | Q1798-L1918 CarbonylContact C-O 3.31Å; Q1798-L1918 WeakPolarHBondContact CA-O 3.46Å; V1799-L1918 HydrophobicContact CB-CB 4.44Å; V1799-L1918 PolarHBondContact N-O 3.04Å; V1799-L1918 PolarHBondContact O-N 2.81Å; F1904-L1918 HydrophobicContact CE2-CD2 4.3Å; F1904-L1918 HydrophobicContact CZ-CD2 4.16Å; L1916-L1918 HydrophobicContact CD1-CD2 4.44Å; L1916-L1918 HydrophobicContact CD1-CG 4.45Å; L1916-L1918 HydrophobicContact CD2-CD1 4.2Å; L1916-L1918 HydrophobicContact CG-CD1 4.33Å; L1916-L1918 HydrophobicContact CG-CG 4.19Å; L1918-C1930 HydrophobicContact CD1-CB 4.1Å; L1918-V1940 HydrophobicContact CD1-CG1 4.16Å; L1918-V1940 HydrophobicContact CD1-CG2 3.7Å; L1918-V1940 HydrophobicContact CD2-CG2 4.36Å; L1918-V1954 HydrophobicContact CD2-CB 4.12Å; L1918-V1954 HydrophobicContact CD2-CG1 3.56Å; L1918-V1954 HydrophobicContact CD2-CG2 3.71Å |
| 1919 | S | 75.1 | Confident | 68.8 | Low | 10 Ų | 10 | 47 Ų | 47 | 7% | 0.07 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 137.7 | 171.5 | 62.2 | 0 | 0 | 0 | 0 | 112.8 | N1797 N1953 | N1797-S1919 WeakPolarHBondContact O-CA 3.38Å; N1797-S1919 WeakPolarHBondContact O-CB 3.22Å; S1919-N1953 PolarHBondContact N-O 2.84Å; S1919-N1953 PolarHBondContact O-N 2.86Å |
| 1920 | I | 78.1 | Confident | 68.6 | Low | 16 Ų | 16 | 42.3 Ų | 42.3 | 8% | 0.082 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 128.1 | 178.1 | -54.6 | -174.8 | 0 | 0 | 0 | 109.4 | I1928 Y1942 Y1950 I1951 I1952 | I1920-I1928 HydrophobicContact CB-CD1 4.13Å; I1920-I1928 HydrophobicContact CD1-CD1 4.18Å; I1920-I1928 HydrophobicContact CD1-CG1 4.05Å; I1920-I1928 HydrophobicContact CG1-CD1 3.77Å; I1920-I1928 HydrophobicContact CG1-CG1 4.21Å; I1920-Y1942 HydrophobicContact CD1-CD1 3.58Å; I1920-Y1942 HydrophobicContact CD1-CD2 3.7Å; I1920-Y1942 HydrophobicContact CD1-CE1 4.15Å; I1920-Y1942 HydrophobicContact CD1-CE2 4.27Å; I1920-Y1942 HydrophobicContact CD1-CG 3.33Å; I1920-Y1950 HydrophobicContact CG2-CD1 3.94Å; I1920-I1951 WeakPolarHBondContact CA-O 3.43Å; I1920-I1952 HydrophobicContact CD1-CD1 4.18Å; I1920-I1952 HydrophobicContact CD1-CG1 4.12Å; I1920-I1952 HydrophobicContact CG1-CB 4.44Å; I1920-I1952 HydrophobicContact CG1-CG1 4.01Å; I1920-I1952 HydrophobicContact CG1-CG2 4.21Å; I1920-I1952 HydrophobicContact CG2-CG1 4.28Å |
| 1921 | E | 65.9 | Low | 68.5 | Low | 25 Ų | 25 | 43.3 Ų | 43.3 | 12% | 0.117 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 146.5 | 169.5 | -58.2 | 169.6 | -120.3 | 0 | 0 | 108.6 | R1794 F1796 Y1950 I1951 N1953 | R1794-E1921 IonicContact CZ-OE2 3.15Å; R1794-E1921 VanDerWaalsContact CZ-OE2 3.28Å; R1794-E1921 IonicContact NE-OE2 3.91Å; R1794-E1921 IonicContact NH1-OE2 2.88Å; R1794-E1921 IonicContact NH2-OE2 2.71Å; R1794-E1921 PolarHBondContact NH2-OE2 3.01Å; F1796-E1921 HydrophobicContact CD1-CG 3.82Å; F1796-E1921 HydrophobicContact CE1-CG 3.79Å; E1921-Y1950 CarbonylContact O-C 3.45Å; E1921-Y1950 WeakPolarHBondContact O-CA 3.34Å; E1921-I1951 HydrophobicContact CB-CB 4.29Å; E1921-I1951 PolarHBondContact N-O 2.77Å; E1921-I1951 PolarHBondContact O-N 3.38Å; E1921-N1953 PolarHBondContact OE1-ND2 2.86Å |
| 1922 | G | 65.8 | Low | 68.7 | Low | 40 Ų | 40 | 46.6 Ų | 46.6 | 41% | 0.412 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 172.1 | -176.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S1924 | G1922-S1924 PolarHBondContact O-N 2.94Š|
| 1923 | P | 52.7 | Low | 68.9 | Low | 65 Ų | 65 | 48.2 Ų | 48.2 | 42% | 0.422 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -51.6 | -52.9 | 178.5 | -26.7 | 30.1 | 0 | 0 | 0 | 113.9 | E1946 P1947 T1949 Y1950 | P1923-E1946 HydrophobicContact CB-CB 4.3Å; P1923-P1947 WeakPolarHBondContact CG-O 3.47Å; P1923-T1949 WeakPolarHBondContact CD-O 3.5Å; P1923-Y1950 HydrophobicContact CG-CE2 4.12Å |
| 1924 | S | 57.7 | Low | 68.5 | Low | 15 Ų | 15 | 52.1 Ų | 52.1 | 11% | 0.105 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -109.8 | 165.9 | 178.7 | 72 | 0 | 0 | 0 | 0 | 113 | G1922 A1926 T1945 E1946 Y1950 | G1922-S1924 PolarHBondContact O-N 2.94Å; S1924-A1926 PolarHBondContact O-N 3.05Å; S1924-A1926 VanDerWaalsContact O-N 3.15Å; S1924-T1945 WeakPolarHBondContact CB-OG1 3.2Å; S1924-T1945 PolarHBondContact OG-N 2.55Å; S1924-T1945 PolarHBondContact OG-OG1 3.46Å; S1924-E1946 PolarHBondContact OG-N 2.74Å; S1924-Y1950 PolarHBondContact N-OH 2.8Å; S1924-Y1950 PolarHBondContact OG-OH 3.41Å |
| 1925 | K | 57.8 | Low | 69 | Low | 131 Ų | 131 | 55.5 Ų | 55.5 | 57% | 0.57 | 30% | 0.301 | S | S | * | . | trans | -68.8 | 106.7 | 167.3 | 175.5 | 175.2 | 173.3 | -89.7 | 0 | 109.5 | D1927 | K1925-D1927 WeakPolarHBondContact CE-OD1 3.35Å; K1925-D1927 IonicContact NZ-OD1 2.79Å; K1925-D1927 PolarHBondContact NZ-OD1 2.86Å; K1925-D1927 IonicContact NZ-OD2 2.69Å; K1925-D1927 PolarHBondContact NZ-OD2 2.8Å | ||
| 1926 | A | 67.1 | Low | 68.9 | Low | 6 Ų | 6 | 55 Ų | 55 | 5% | 0.05 | 30% | 0.295 | C | S | . | . | trans | -83.7 | 124.5 | 160 | 0 | 0 | 0 | 0 | 0 | 109.7 | N1797 S1924 Y1942 R1943 P1944 Y1950 | N1797-A1926 PolarHBondContact ND2-O 2.79Å; S1924-A1926 PolarHBondContact O-N 3.05Å; S1924-A1926 VanDerWaalsContact O-N 3.15Å; A1926-Y1942 HydrophobicContact CB-CD2 3.98Å; A1926-R1943 WeakPolarHBondContact CA-O 3.31Å; A1926-P1944 HydrophobicContact CB-CB 4.47Å; A1926-Y1950 HydrophobicContact CB-CE1 4.48Å | ||
| 1927 | D | 68.5 | Low | 69 | Low | 89 Ų | 89 | 55.2 Ų | 55.2 | 48% | 0.476 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 147 | 166 | -78.3 | -60.7 | 0 | 0 | 0 | 110.5 | K1925 Y1942 R1943 | K1925-D1927 WeakPolarHBondContact CE-OD1 3.35Å; K1925-D1927 IonicContact NZ-OD1 2.79Å; K1925-D1927 PolarHBondContact NZ-OD1 2.86Å; K1925-D1927 IonicContact NZ-OD2 2.69Å; K1925-D1927 PolarHBondContact NZ-OD2 2.8Å; D1927-Y1942 WeakPolarHBondContact O-CA 3.27Å; D1927-Y1942 VanDerWaalsContact O-CB 3.23Å; D1927-Y1942 WeakPolarHBondContact O-CB 3.42Å; D1927-R1943 PolarHBondContact O-N 2.88Å |
| 1928 | I | 76.1 | Confident | 69.3 | Low | 21 Ų | 21 | 54.9 Ų | 54.9 | 11% | 0.108 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 124.2 | -169 | -51.2 | 169.2 | 0 | 0 | 0 | 109.8 | V1799 I1920 V1940 T1941 | V1799-I1928 HydrophobicContact CG2-CB 4.02Å; V1799-I1928 HydrophobicContact CG2-CG2 4.13Å; I1920-I1928 HydrophobicContact CB-CD1 4.13Å; I1920-I1928 HydrophobicContact CD1-CD1 4.18Å; I1920-I1928 HydrophobicContact CD1-CG1 4.05Å; I1920-I1928 HydrophobicContact CG1-CD1 3.77Å; I1920-I1928 HydrophobicContact CG1-CG1 4.21Å; I1928-V1940 HydrophobicContact CG2-CG1 3.98Å; I1928-T1941 WeakPolarHBondContact CA-O 3.44Å |
| 1929 | E | 73.6 | Confident | 69.5 | Low | 132 Ų | 132 | 57.3 Ų | 57.3 | 62% | 0.617 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 137.6 | 172.5 | -59 | 177.9 | 162.2 | 0 | 0 | 109.2 | V1940 T1941 | E1929-V1940 CarbonylContact O-C 3.47Å; E1929-V1940 VanDerWaalsContact O-CA 3.27Å; E1929-V1940 WeakPolarHBondContact O-CA 3.32Å; E1929-T1941 PolarHBondContact N-O 2.83Å; E1929-T1941 PolarHBondContact O-N 3.38Å |
| 1930 | C | 74.8 | Confident | 70 | Confident | 31 Ų | 31 | 56.9 Ų | 56.9 | 21% | 0.209 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 117.3 | 168.4 | -159.9 | 0 | 0 | 0 | 0 | 108.5 | V1799 V1801 L1918 C1938 L1939 | V1799-C1930 HydrophobicContact CG1-CB 4.48Å; V1801-C1930 HydrophobicContact CG2-CB 4.06Å; L1918-C1930 HydrophobicContact CD1-CB 4.1Å; C1930-C1938 VanDerWaalsContact CA-SG 3.57Å; C1930-C1938 WeakPolarHBondContact CB-SG 3.33Å; C1930-C1938 WeakPolarHBondContact SG-CB 3.42Å; C1930-C1938 CovalentContact SG-SG 2.05Å; C1930-C1938 PolarHBondContact SG-SG 2.86Å; C1930-L1939 CarbonylContact C-O 3.58Å; C1930-L1939 VanDerWaalsContact CA-O 3.32Å; C1930-L1939 WeakPolarHBondContact CA-O 3.48Å |
| 1931 | H | 72.2 | Confident | 70.2 | Confident | 128 Ų | 128 | 57.2 Ų | 57.2 | 59% | 0.593 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 112 | 176.9 | -169.2 | 85.9 | 0 | 0 | 0 | 110.3 | N1933 C1938 L1939 | H1931-N1933 PolarHBondContact O-N 2.91Å; H1931-C1938 PolarHBondContact N-SG 2.8Å; H1931-C1938 CarbonylContact O-C 3.46Å; H1931-C1938 VanDerWaalsContact O-CA 3.3Å; H1931-C1938 WeakPolarHBondContact O-CA 3.41Å; H1931-C1938 PolarHBondContact O-SG 2.8Å; H1931-L1939 PolarHBondContact N-O 2.9Å; H1931-L1939 PolarHBondContact O-N 3.36Å |
| 1932 | D | 72 | Confident | 71.2 | Confident | 70 Ų | 70 | 56.1 Ų | 56.1 | 37% | 0.374 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 115.6 | 175.2 | -174.2 | -17.9 | 0 | 0 | 0 | 109.9 | Q1934 | D1932-Q1934 PolarHBondContact O-N 3.14Å; D1932-Q1934 WeakPolarHBondContact OD1-CA 3.27Å; D1932-Q1934 PolarHBondContact OD1-N 3.32Å |
| 1933 | N | 68.9 | Low | 71.9 | Confident | 72 Ų | 72 | 60.5 Ų | 60.5 | 39% | 0.385 | 31% | 0.307 | S | S | . | . | trans | -76.1 | 1.9 | -177.4 | -60.7 | -43.2 | 0 | 0 | 0 | 113.1 | H1931 D1935 T1937 | H1931-N1933 PolarHBondContact O-N 2.91Å; N1933-D1935 PolarHBondContact O-N 2.82Å; N1933-T1937 WeakPolarHBondContact CB-O 3.46Å; N1933-T1937 PolarHBondContact N-O 2.82Å; N1933-T1937 PolarHBondContact ND2-O 2.81Å; N1933-T1937 PolarHBondContact ND2-OG1 3.03Å | ||
| 1934 | Q | 57.1 | Low | 72.8 | Confident | 183 Ų | 183 | 57.4 Ų | 57.4 | 86% | 0.855 | 29% | 0.287 | S | S | * | . | S | Bend | trans | 62.9 | -3.6 | -178.9 | -52.5 | -179 | 20.6 | 0 | 0 | 115.6 | D1932 | D1932-Q1934 PolarHBondContact O-N 3.14Å; D1932-Q1934 WeakPolarHBondContact OD1-CA 3.27Å; D1932-Q1934 PolarHBondContact OD1-N 3.32Å |
| 1935 | D | 71.8 | Confident | 73.2 | Confident | 76 Ų | 76 | 58.9 Ų | 58.9 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -88.2 | -6.5 | 171.3 | 90 | -48.2 | 0 | 0 | 0 | 113.1 | R1909 N1933 T1937 | R1909-D1935 WeakPolarHBondContact CD-O 3.33Å; R1909-D1935 WeakPolarHBondContact CG-O 3.46Å; R1909-D1935 IonicContact CZ-OD2 2.56Å; R1909-D1935 IonicContact NE-OD2 3.36Å; R1909-D1935 IonicContact NH1-OD2 3.67Å; R1909-D1935 PolarHBondContact NH1-OD2 3.2Å; N1933-D1935 PolarHBondContact O-N 2.82Å; D1935-T1937 WeakPolarHBondContact OD1-CB 3.09Å; D1935-T1937 WeakPolarHBondContact OD1-CG2 3.42Å; D1935-T1937 PolarHBondContact OD1-N 2.85Å; D1935-T1937 PolarHBondContact OD1-OG1 2.95Å |
| 1936 | G | 62.8 | Low | 73.4 | Confident | 22 Ų | 22 | 56.2 Ų | 56.2 | 23% | 0.227 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 100.4 | 11 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | T1908 | T1908-G1936 PolarHBondContact N-O 2.83Å; T1908-G1936 PolarHBondContact OG1-O 3.02Å |
| 1937 | T | 79 | Confident | 73.3 | Confident | 11 Ų | 11 | 58.2 Ų | 58.2 | 7% | 0.067 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 142.9 | 168.5 | 68.5 | 0 | 0 | 0 | 0 | 112 | V1906 D1907 N1933 D1935 | V1906-T1937 CarbonylContact O-C 3.6Å; V1906-T1937 WeakPolarHBondContact O-CA 3.44Å; D1907-T1937 HydrophobicContact CB-CG2 3.99Å; N1933-T1937 WeakPolarHBondContact CB-O 3.46Å; N1933-T1937 PolarHBondContact N-O 2.82Å; N1933-T1937 PolarHBondContact ND2-O 2.81Å; N1933-T1937 PolarHBondContact ND2-OG1 3.03Å; D1935-T1937 WeakPolarHBondContact OD1-CB 3.09Å; D1935-T1937 WeakPolarHBondContact OD1-CG2 3.42Å; D1935-T1937 PolarHBondContact OD1-N 2.85Å; D1935-T1937 PolarHBondContact OD1-OG1 2.95Å |
| 1938 | C | 79 | Confident | 72.8 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 4% | 0.041 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 133.5 | 166.7 | -160.2 | 0 | 0 | 0 | 0 | 109.8 | T1905 V1906 L1916 C1930 H1931 | T1905-C1938 WeakPolarHBondContact CA-O 3.5Å; V1906-C1938 PolarHBondContact N-O 2.92Å; V1906-C1938 PolarHBondContact O-N 3.39Å; L1916-C1938 HydrophobicContact CD2-CB 4.22Å; C1930-C1938 VanDerWaalsContact CA-SG 3.57Å; C1930-C1938 WeakPolarHBondContact CB-SG 3.33Å; C1930-C1938 WeakPolarHBondContact SG-CB 3.42Å; C1930-C1938 CovalentContact SG-SG 2.05Å; C1930-C1938 PolarHBondContact SG-SG 2.86Å; H1931-C1938 PolarHBondContact N-SG 2.8Å; H1931-C1938 CarbonylContact O-C 3.46Å; H1931-C1938 VanDerWaalsContact O-CA 3.3Å; H1931-C1938 WeakPolarHBondContact O-CA 3.41Å; H1931-C1938 PolarHBondContact O-SG 2.8Å |
| 1939 | L | 83.5 | Confident | 72.7 | Confident | 54 Ų | 54 | 57.6 Ų | 57.6 | 28% | 0.283 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 126.2 | 164.5 | 178.8 | 63.9 | 0 | 0 | 0 | 108.8 | C1930 H1931 | C1930-L1939 CarbonylContact C-O 3.58Å; C1930-L1939 VanDerWaalsContact CA-O 3.32Å; C1930-L1939 WeakPolarHBondContact CA-O 3.48Å; H1931-L1939 PolarHBondContact N-O 2.9Å; H1931-L1939 PolarHBondContact O-N 3.36Å |
| 1940 | V | 85.9 | Confident | 73 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 127.8 | 178.1 | -171.6 | 0 | 0 | 0 | 0 | 109.5 | Q1903 F1904 V1906 L1918 I1928 E1929 | Q1903-V1940 CarbonylContact C-O 3.47Å; Q1903-V1940 VanDerWaalsContact CA-O 3.27Å; Q1903-V1940 WeakPolarHBondContact CA-O 3.27Å; F1904-V1940 HydrophobicContact CD1-CB 4.19Å; F1904-V1940 HydrophobicContact CD1-CG1 4.38Å; F1904-V1940 HydrophobicContact CD2-CB 4.02Å; F1904-V1940 HydrophobicContact CD2-CG2 4.16Å; F1904-V1940 HydrophobicContact CE1-CB 3.91Å; F1904-V1940 HydrophobicContact CE1-CG1 3.69Å; F1904-V1940 HydrophobicContact CE2-CB 3.75Å; F1904-V1940 HydrophobicContact CE2-CG1 4.13Å; F1904-V1940 HydrophobicContact CE2-CG2 3.69Å; F1904-V1940 HydrophobicContact CG-CB 4.25Å; F1904-V1940 HydrophobicContact CZ-CB 3.69Å; F1904-V1940 HydrophobicContact CZ-CG1 3.56Å; F1904-V1940 HydrophobicContact CZ-CG2 3.99Å; F1904-V1940 PolarHBondContact N-O 2.71Å; F1904-V1940 WeakPolarHBondContact O-CA 3.35Å; F1904-V1940 PolarHBondContact O-N 2.87Å; V1906-V1940 HydrophobicContact CG2-CG2 3.99Å; L1918-V1940 HydrophobicContact CD1-CG1 4.16Å; L1918-V1940 HydrophobicContact CD1-CG2 3.7Å; L1918-V1940 HydrophobicContact CD2-CG2 4.36Å; I1928-V1940 HydrophobicContact CG2-CG1 3.98Å; E1929-V1940 CarbonylContact O-C 3.47Å; E1929-V1940 VanDerWaalsContact O-CA 3.27Å; E1929-V1940 WeakPolarHBondContact O-CA 3.32Å |
| 1941 | T | 83 | Confident | 73.3 | Confident | 23 Ų | 23 | 52.4 Ų | 52.4 | 14% | 0.141 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 143 | 175.4 | -52.2 | 0 | 0 | 0 | 0 | 109.1 | N1901 C1902 I1928 E1929 | N1901-T1941 HydrophobicContact CB-CG2 3.98Å; C1902-T1941 CarbonylContact O-C 3.6Å; C1902-T1941 WeakPolarHBondContact O-CA 3.29Å; I1928-T1941 WeakPolarHBondContact CA-O 3.44Å; E1929-T1941 PolarHBondContact N-O 2.83Å; E1929-T1941 PolarHBondContact O-N 3.38Å |
| 1942 | Y | 85.6 | Confident | 73.9 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 152.5 | 170.3 | 69.8 | -84.1 | 0 | 0 | 0 | 112.3 | G1892 C1902 F1904 I1920 A1926 D1927 P1944 I1952 | G1892-Y1942 WeakPolarHBondContact O-CE1 3.4Å; G1892-Y1942 PolarHBondContact O-OH 2.92Å; C1902-Y1942 HydrophobicContact CB-CD1 4.01Å; C1902-Y1942 HydrophobicContact CB-CD2 4.17Å; C1902-Y1942 HydrophobicContact CB-CE1 3.47Å; C1902-Y1942 VanDerWaalsContact CB-CE1 3.47Å; C1902-Y1942 HydrophobicContact CB-CE2 3.66Å; C1902-Y1942 HydrophobicContact CB-CG 4.32Å; C1902-Y1942 WeakPolarHBondContact CB-OH 3.5Å; C1902-Y1942 PolarHBondContact N-O 2.83Å; C1902-Y1942 PolarHBondContact O-N 2.84Å; F1904-Y1942 HydrophobicContact CD1-CE1 4.26Å; F1904-Y1942 HydrophobicContact CE1-CD1 4.27Å; F1904-Y1942 HydrophobicContact CE1-CE1 4.25Å; I1920-Y1942 HydrophobicContact CD1-CD1 3.58Å; I1920-Y1942 HydrophobicContact CD1-CD2 3.7Å; I1920-Y1942 HydrophobicContact CD1-CE1 4.15Å; I1920-Y1942 HydrophobicContact CD1-CE2 4.27Å; I1920-Y1942 HydrophobicContact CD1-CG 3.33Å; A1926-Y1942 HydrophobicContact CB-CD2 3.98Å; D1927-Y1942 WeakPolarHBondContact O-CA 3.27Å; D1927-Y1942 VanDerWaalsContact O-CB 3.23Å; D1927-Y1942 WeakPolarHBondContact O-CB 3.42Å; Y1942-P1944 HydrophobicContact CE2-CG 4.25Å; Y1942-I1952 HydrophobicContact CD1-CD1 4.46Å; Y1942-I1952 HydrophobicContact CE1-CD1 3.67Å |
| 1943 | R | 80.8 | Confident | 74.3 | Confident | 131 Ų | 131 | 45 Ų | 45 | 49% | 0.494 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 99.2 | -178 | -166.9 | -178.2 | -170.1 | -162.1 | -0.1 | 111.3 | N1899 N1901 A1926 D1927 | N1899-R1943 VanDerWaalsContact O-CZ 3.27Å; N1899-R1943 PolarHBondContact O-NE 3.08Å; N1899-R1943 PolarHBondContact O-NH2 2.79Å; N1901-R1943 VanDerWaalsContact OD1-CD 3.32Å; N1901-R1943 WeakPolarHBondContact OD1-CD 3.44Å; N1901-R1943 WeakPolarHBondContact OD1-CG 3.34Å; A1926-R1943 WeakPolarHBondContact CA-O 3.31Å; D1927-R1943 PolarHBondContact O-N 2.88Å |
| 1944 | P | 71.7 | Confident | 75.1 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -75.8 | 143.4 | 173.7 | 31.3 | -32.4 | 0 | 0 | 0 | 110.7 | A1898 N1899 A1926 Y1942 Y1950 I1970 | A1898-P1944 CarbonylContact C-O 3.51Å; A1898-P1944 WeakPolarHBondContact CA-O 3.47Å; N1899-P1944 PolarHBondContact N-O 3.12Å; A1926-P1944 HydrophobicContact CB-CB 4.47Å; Y1942-P1944 HydrophobicContact CE2-CG 4.25Å; P1944-Y1950 HydrophobicContact CB-CD1 4.47Å; P1944-Y1950 HydrophobicContact CB-CE1 3.79Å; P1944-Y1950 HydrophobicContact CB-CE2 3.96Å; P1944-I1970 HydrophobicContact CB-CG1 4.34Å; P1944-I1970 HydrophobicContact CB-CG2 4.19Å; P1944-I1970 HydrophobicContact CG-CB 4.48Å; P1944-I1970 HydrophobicContact CG-CD1 3.93Å; P1944-I1970 HydrophobicContact CG-CG1 3.93Å; P1944-I1970 HydrophobicContact CG-CG2 3.74Å | ||
| 1945 | T | 65.1 | Low | 76.1 | Confident | 46 Ų | 46 | 36.4 Ų | 36.4 | 28% | 0.282 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -109 | -3.4 | -178.2 | 59.6 | 0 | 0 | 0 | 0 | 114.4 | S1924 S1975 | S1924-T1945 WeakPolarHBondContact CB-OG1 3.2Å; S1924-T1945 PolarHBondContact OG-N 2.55Å; S1924-T1945 PolarHBondContact OG-OG1 3.46Å; T1945-S1975 PolarHBondContact O-N 2.89Å; T1945-S1975 VanDerWaalsContact O-N 3.07Å |
| 1946 | E | 62.5 | Low | 76.6 | Confident | 75 Ų | 75 | 33.2 Ų | 33.2 | 35% | 0.35 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -135.2 | 147 | 175.1 | -63.9 | 172.6 | -171.8 | 0 | 0 | 111.1 | P1923 S1924 Y1950 P1974 | P1923-E1946 HydrophobicContact CB-CB 4.3Å; S1924-E1946 PolarHBondContact OG-N 2.74Å; E1946-Y1950 WeakPolarHBondContact O-CE2 3.45Å; E1946-Y1950 PolarHBondContact O-OH 3.12Å; E1946-P1974 HydrophobicContact CB-CB 4.33Å; E1946-P1974 HydrophobicContact CG-CB 3.87Å |
| 1947 | P | 65 | Low | 77 | Confident | 49 Ų | 49 | 33.5 Ų | 33.5 | 32% | 0.318 | 18% | 0.181 | S | C | . | . | trans | -68.8 | 156.5 | 174.7 | 31.7 | -38.2 | 0 | 0 | 0 | 112.6 | P1923 I1970 G1972 | P1923-P1947 WeakPolarHBondContact CG-O 3.47Å; P1947-I1970 CarbonylContact C-O 3.46Å; P1947-I1970 VanDerWaalsContact CA-O 3.31Å; P1947-I1970 WeakPolarHBondContact CA-O 3.29Å; P1947-I1970 WeakPolarHBondContact CB-O 3.21Å; P1947-G1972 WeakPolarHBondContact CB-O 3.36Å; P1947-G1972 VanDerWaalsContact CG-O 3.26Å; P1947-G1972 WeakPolarHBondContact CG-O 3.39Å | ||
| 1948 | G | 58.7 | Low | 76.5 | Confident | 28 Ų | 28 | 38 Ų | 38 | 29% | 0.289 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 137.9 | -159.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | I1970 | G1948-I1970 PolarHBondContact N-O 2.95Å; G1948-I1970 PolarHBondContact O-N 2.94Å |
| 1949 | T | 74.6 | Confident | 76.1 | Confident | 68 Ų | 68 | 43.3 Ų | 43.3 | 42% | 0.417 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 121.1 | -175.3 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | P1923 V1967 V1968 H1969 | P1923-T1949 WeakPolarHBondContact CD-O 3.5Å; T1949-V1967 HydrophobicContact CG2-CG1 3.48Å; T1949-V1967 VanDerWaalsContact CG2-CG1 3.48Å; T1949-V1968 WeakPolarHBondContact CA-O 3.35Å; T1949-H1969 PolarHBondContact OG1-CE1 3.46Å; T1949-H1969 VanDerWaalsContact OG1-CE1 3.29Å; T1949-H1969 PolarHBondContact OG1-ND1 2.9Å |
| 1950 | Y | 79.6 | Confident | 75.8 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 146.4 | 176.8 | -68.6 | -105.1 | 0 | 0 | 0 | 110.1 | I1920 E1921 P1923 S1924 A1926 P1944 E1946 V1968 I1970 | I1920-Y1950 HydrophobicContact CG2-CD1 3.94Å; E1921-Y1950 CarbonylContact O-C 3.45Å; E1921-Y1950 WeakPolarHBondContact O-CA 3.34Å; P1923-Y1950 HydrophobicContact CG-CE2 4.12Å; S1924-Y1950 PolarHBondContact N-OH 2.8Å; S1924-Y1950 PolarHBondContact OG-OH 3.41Å; A1926-Y1950 HydrophobicContact CB-CE1 4.48Å; P1944-Y1950 HydrophobicContact CB-CD1 4.47Å; P1944-Y1950 HydrophobicContact CB-CE1 3.79Å; P1944-Y1950 HydrophobicContact CB-CE2 3.96Å; E1946-Y1950 WeakPolarHBondContact O-CE2 3.45Å; E1946-Y1950 PolarHBondContact O-OH 3.12Å; Y1950-V1968 PolarHBondContact N-O 2.91Å; Y1950-V1968 PolarHBondContact O-N 2.88Å; Y1950-I1970 HydrophobicContact CD2-CB 3.89Å; Y1950-I1970 HydrophobicContact CD2-CG1 3.31Å; Y1950-I1970 HydrophobicContact CE2-CB 3.77Å; Y1950-I1970 HydrophobicContact CE2-CG1 3.61Å; Y1950-I1970 HydrophobicContact CE2-CG2 4.31Å; Y1950-I1970 HydrophobicContact CG-CG1 4.15Å |
| 1951 | I | 79.8 | Confident | 75.7 | Confident | 55 Ų | 55 | 45 Ų | 45 | 28% | 0.282 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 112.8 | -177.2 | -54.2 | 177.7 | 0 | 0 | 0 | 108.1 | I1920 E1921 P1965 F1966 | I1920-I1951 WeakPolarHBondContact CA-O 3.43Å; E1921-I1951 HydrophobicContact CB-CB 4.29Å; E1921-I1951 PolarHBondContact N-O 2.77Å; E1921-I1951 PolarHBondContact O-N 3.38Å; I1951-P1965 HydrophobicContact CG2-CB 3.63Å; I1951-P1965 HydrophobicContact CG2-CG 4.37Å; I1951-F1966 CarbonylContact C-O 3.59Å; I1951-F1966 WeakPolarHBondContact CA-O 3.36Å |
| 1952 | I | 86.3 | Confident | 75.3 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 106.2 | -177.4 | -52.8 | -176 | 0 | 0 | 0 | 108.5 | G1892 L1893 F1904 I1920 Y1942 V1954 P1965 F1966 V1968 | G1892-I1952 WeakPolarHBondContact O-CD1 3.19Å; L1893-I1952 HydrophobicContact CD2-CD1 4.45Å; F1904-I1952 HydrophobicContact CD1-CD1 4.5Å; F1904-I1952 HydrophobicContact CE1-CD1 3.99Å; F1904-I1952 HydrophobicContact CE1-CG2 4.01Å; F1904-I1952 HydrophobicContact CZ-CG2 3.81Å; I1920-I1952 HydrophobicContact CD1-CD1 4.18Å; I1920-I1952 HydrophobicContact CD1-CG1 4.12Å; I1920-I1952 HydrophobicContact CG1-CB 4.44Å; I1920-I1952 HydrophobicContact CG1-CG1 4.01Å; I1920-I1952 HydrophobicContact CG1-CG2 4.21Å; I1920-I1952 HydrophobicContact CG2-CG1 4.28Å; Y1942-I1952 HydrophobicContact CD1-CD1 4.46Å; Y1942-I1952 HydrophobicContact CE1-CD1 3.67Å; I1952-V1954 HydrophobicContact CG2-CG2 4.03Å; I1952-P1965 WeakPolarHBondContact O-CA 3.22Å; I1952-F1966 HydrophobicContact CB-CB 4.36Å; I1952-F1966 PolarHBondContact N-O 2.82Å; I1952-F1966 PolarHBondContact O-N 2.88Å; I1952-V1968 HydrophobicContact CD1-CG2 3.66Å; I1952-V1968 HydrophobicContact CG1-CG2 4.06Å |
| 1953 | N | 80.3 | Confident | 74.6 | Confident | 41 Ų | 41 | 50 Ų | 50 | 22% | 0.219 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 134.2 | 171.4 | -62.4 | -94.5 | 0 | 0 | 0 | 109.5 | S1919 E1921 | S1919-N1953 PolarHBondContact N-O 2.84Å; S1919-N1953 PolarHBondContact O-N 2.86Å; E1921-N1953 PolarHBondContact OE1-ND2 2.86Å |
| 1954 | V | 85.4 | Confident | 74.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 126.4 | 173.8 | -167.4 | 0 | 0 | 0 | 0 | 110.5 | I1888 L1916 L1918 I1952 V1961 S1964 F1966 | I1888-V1954 HydrophobicContact CD1-CB 3.79Å; I1888-V1954 HydrophobicContact CD1-CG1 3.47Å; I1888-V1954 VanDerWaalsContact CD1-CG1 3.47Å; I1888-V1954 HydrophobicContact CD1-CG2 3.92Å; L1916-V1954 HydrophobicContact CD1-CG1 3.58Å; L1918-V1954 HydrophobicContact CD2-CB 4.12Å; L1918-V1954 HydrophobicContact CD2-CG1 3.56Å; L1918-V1954 HydrophobicContact CD2-CG2 3.71Å; I1952-V1954 HydrophobicContact CG2-CG2 4.03Å; V1954-V1961 HydrophobicContact CB-CG2 3.78Å; V1954-V1961 HydrophobicContact CG1-CG1 4.46Å; V1954-V1961 HydrophobicContact CG1-CG2 4.01Å; V1954-V1961 WeakPolarHBondContact O-CG2 3.49Å; V1954-V1961 PolarHBondContact O-N 2.99Å; V1954-V1961 VanDerWaalsContact O-N 3.12Å; V1954-S1964 PolarHBondContact N-OG 2.95Å; V1954-S1964 VanDerWaalsContact O-CB 3.29Å; V1954-S1964 WeakPolarHBondContact O-CB 3.33Å; V1954-S1964 PolarHBondContact O-OG 3.45Å; V1954-F1966 HydrophobicContact CG2-CD2 4.28Å; V1954-F1966 HydrophobicContact CG2-CE2 4.1Å |
| 1955 | K | 78.6 | Confident | 74.8 | Confident | 75 Ų | 75 | 48.3 Ų | 48.3 | 33% | 0.326 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 156.2 | 175.2 | -56.9 | 175 | 179.3 | 178 | 0 | 111.1 | L1916 N1917 E1958 Q1959 | L1916-K1955 WeakPolarHBondContact CA-O 3.31Å; N1917-K1955 HydrophobicContact CB-CB 4.3Å; N1917-K1955 PolarHBondContact N-O 3.21Å; N1917-K1955 PolarHBondContact O-N 2.9Å; K1955-E1958 IonicContact NZ-OE2 3.22Å; K1955-E1958 PolarHBondContact NZ-OE2 3.06Å; K1955-Q1959 CarbonylContact C-O 3.6Å; K1955-Q1959 WeakPolarHBondContact CA-O 3.41Å; K1955-Q1959 WeakPolarHBondContact CB-O 3.32Å |
| 1956 | Y | 80.8 | Confident | 75.6 | Confident | 8 Ų | 8 | 47.7 Ų | 47.7 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 127.5 | 172.2 | -170.8 | -96.3 | 0 | 0 | 0 | 109.6 | V1886 T1908 A1911 G1912 G1914 G1915 L1916 E1958 Q1959 | V1886-Y1956 HydrophobicContact CG2-CD1 3.76Å; V1886-Y1956 HydrophobicContact CG2-CD2 4.01Å; V1886-Y1956 HydrophobicContact CG2-CE1 4.3Å; V1886-Y1956 HydrophobicContact CG2-CG 3.59Å; T1908-Y1956 HydrophobicContact CG2-CD2 4.17Å; T1908-Y1956 HydrophobicContact CG2-CE2 3.76Å; A1911-Y1956 HydrophobicContact CB-CD1 4.16Å; A1911-Y1956 HydrophobicContact CB-CE1 3.55Å; G1912-Y1956 PolarHBondContact O-OH 3.08Å; G1914-Y1956 PolarHBondContact N-OH 3.01Å; G1914-Y1956 VanDerWaalsContact O-CE2 3.24Å; G1914-Y1956 WeakPolarHBondContact O-CE2 3.38Å; G1914-Y1956 PolarHBondContact O-OH 3.19Å; G1915-Y1956 CarbonylContact O-C 3.54Å; G1915-Y1956 WeakPolarHBondContact O-CA 3.45Å; L1916-Y1956 HydrophobicContact CB-CD2 4.14Å; Y1956-E1958 VanDerWaalsContact C-N 3.25Å; Y1956-E1958 PolarHBondContact O-N 2.93Å; Y1956-Q1959 PolarHBondContact N-O 2.84Å; Y1956-Q1959 PolarHBondContact O-N 3.12Å; Y1956-Q1959 VanDerWaalsContact O-N 3.16Å |
| 1957 | A | 71.6 | Confident | 76.4 | Confident | 29 Ų | 29 | 48 Ų | 48 | 24% | 0.24 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 46.9 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G1915 Q1959 | G1915-A1957 PolarHBondContact O-N 2.72Å; A1957-Q1959 PolarHBondContact O-N 2.79Å |
| 1958 | E | 69.2 | Low | 77.2 | Confident | 105 Ų | 105 | 45.7 Ų | 45.7 | 49% | 0.491 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 0.5 | -174.6 | -71.3 | -53.4 | 125.5 | 0 | 0 | 118 | N1917 K1955 Y1956 | N1917-E1958 PolarHBondContact ND2-OE1 2.74Å; N1917-E1958 VanDerWaalsContact ND2-OE1 3.15Å; K1955-E1958 IonicContact NZ-OE2 3.22Å; K1955-E1958 PolarHBondContact NZ-OE2 3.06Å; Y1956-E1958 VanDerWaalsContact C-N 3.25Å; Y1956-E1958 PolarHBondContact O-N 2.93Å |
| 1959 | Q | 69.8 | Low | 78 | Confident | 117 Ų | 117 | 49.9 Ų | 49.9 | 55% | 0.547 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 139.1 | 172.9 | -64 | -177.4 | 11.9 | 0 | 0 | 111.1 | A1883 K1955 Y1956 A1957 | A1883-Q1959 HydrophobicContact CB-CB 3.75Å; A1883-Q1959 WeakPolarHBondContact CB-O 3.39Å; K1955-Q1959 CarbonylContact C-O 3.6Å; K1955-Q1959 WeakPolarHBondContact CA-O 3.41Å; K1955-Q1959 WeakPolarHBondContact CB-O 3.32Å; Y1956-Q1959 PolarHBondContact N-O 2.84Å; Y1956-Q1959 PolarHBondContact O-N 3.12Å; Y1956-Q1959 VanDerWaalsContact O-N 3.16Å; A1957-Q1959 PolarHBondContact O-N 2.79Å |
| 1960 | P | 77.1 | Confident | 78.1 | Confident | 87 Ų | 87 | 47 Ų | 47 | 57% | 0.565 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 137.8 | 175.7 | 27.8 | -34.3 | 0 | 0 | 0 | 110.9 | ||
| 1961 | V | 84.9 | Confident | 77 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.024 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 157.2 | 177.8 | -54.8 | 0 | 0 | 0 | 0 | 111.2 | A1883 V1886 I1888 V1954 G1963 S1964 | A1883-V1961 HydrophobicContact CB-CG1 4.22Å; V1886-V1961 HydrophobicContact CB-CB 4.4Å; V1886-V1961 HydrophobicContact CB-CG1 3.97Å; V1886-V1961 HydrophobicContact CG1-CG1 4.04Å; V1886-V1961 HydrophobicContact CG2-CG1 4.36Å; I1888-V1961 HydrophobicContact CD1-CG2 3.48Å; I1888-V1961 VanDerWaalsContact CD1-CG2 3.48Å; I1888-V1961 HydrophobicContact CG1-CG2 4.3Å; V1954-V1961 HydrophobicContact CB-CG2 3.78Å; V1954-V1961 HydrophobicContact CG1-CG1 4.46Å; V1954-V1961 HydrophobicContact CG1-CG2 4.01Å; V1954-V1961 WeakPolarHBondContact O-CG2 3.49Å; V1954-V1961 PolarHBondContact O-N 2.99Å; V1954-V1961 VanDerWaalsContact O-N 3.12Å; V1961-G1963 PolarHBondContact O-N 2.82Å; V1961-G1963 VanDerWaalsContact O-N 3.14Å; V1961-S1964 WeakPolarHBondContact O-CB 3.37Å; V1961-S1964 PolarHBondContact O-N 3.43Å |
| 1962 | P | 74 | Confident | 75.6 | Confident | 79 Ų | 79 | 48 Ų | 48 | 51% | 0.513 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 119.5 | 178.8 | -26.4 | 35.3 | 0 | 0 | 0 | 112.7 | A1883 | A1883-P1962 WeakPolarHBondContact O-CD 3.34Š|
| 1963 | G | 71.4 | Confident | 73.6 | Confident | 51 Ų | 51 | 54 Ų | 54 | 53% | 0.526 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.1 | -13 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | V1961 P1965 F1966 | V1961-G1963 PolarHBondContact O-N 2.82Å; V1961-G1963 VanDerWaalsContact O-N 3.14Å; G1963-P1965 CarbonylContact O-C 3.58Å; G1963-F1966 VanDerWaalsContact C-CZ 3.47Å; G1963-F1966 WeakPolarHBondContact O-CD1 2.96Å; G1963-F1966 WeakPolarHBondContact O-CE1 3.26Å |
| 1964 | S | 80 | Confident | 72.1 | Confident | 24 Ų | 24 | 55.7 Ų | 55.7 | 17% | 0.168 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 139.4 | 174.3 | 175.5 | 0 | 0 | 0 | 0 | 111.9 | V1954 V1961 | V1954-S1964 PolarHBondContact N-OG 2.95Å; V1954-S1964 VanDerWaalsContact O-CB 3.29Å; V1954-S1964 WeakPolarHBondContact O-CB 3.33Å; V1954-S1964 PolarHBondContact O-OG 3.45Å; V1961-S1964 WeakPolarHBondContact O-CB 3.37Å; V1961-S1964 PolarHBondContact O-N 3.43Å |
| 1965 | P | 75.2 | Confident | 70.3 | Confident | 72 Ų | 72 | 59 Ų | 59 | 47% | 0.468 | 36% | 0.356 | S | S | . | . | S | Bend | cis | -76.5 | 139.7 | -4.2 | 30.5 | -34.3 | 0 | 0 | 0 | 113 | I1951 I1952 G1963 | I1951-P1965 HydrophobicContact CG2-CB 3.63Å; I1951-P1965 HydrophobicContact CG2-CG 4.37Å; I1952-P1965 WeakPolarHBondContact O-CA 3.22Å; G1963-P1965 CarbonylContact O-C 3.58Å |
| 1966 | F | 82 | Confident | 69 | Low | 34 Ų | 34 | 62.5 Ų | 62.5 | 15% | 0.149 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 139.9 | 172.1 | -54.9 | -90.9 | 0 | 0 | 0 | 109.4 | I1888 L1893 I1951 I1952 V1954 G1963 | I1888-F1966 HydrophobicContact CB-CZ 4.18Å; I1888-F1966 HydrophobicContact CD1-CE2 4.26Å; I1888-F1966 HydrophobicContact CG2-CE2 4.47Å; I1888-F1966 HydrophobicContact CG2-CZ 4.38Å; L1893-F1966 HydrophobicContact CB-CD1 4.49Å; L1893-F1966 HydrophobicContact CD2-CB 4.26Å; L1893-F1966 HydrophobicContact CD2-CD1 4.37Å; L1893-F1966 HydrophobicContact CD2-CD2 4.07Å; L1893-F1966 HydrophobicContact CD2-CG 3.98Å; I1951-F1966 CarbonylContact C-O 3.59Å; I1951-F1966 WeakPolarHBondContact CA-O 3.36Å; I1952-F1966 HydrophobicContact CB-CB 4.36Å; I1952-F1966 PolarHBondContact N-O 2.82Å; I1952-F1966 PolarHBondContact O-N 2.88Å; V1954-F1966 HydrophobicContact CG2-CD2 4.28Å; V1954-F1966 HydrophobicContact CG2-CE2 4.1Å; G1963-F1966 VanDerWaalsContact C-CZ 3.47Å; G1963-F1966 WeakPolarHBondContact O-CD1 2.96Å; G1963-F1966 WeakPolarHBondContact O-CE1 3.26Å |
| 1967 | V | 79.2 | Confident | 67.6 | Low | 81 Ų | 81 | 70.1 Ų | 70.1 | 49% | 0.491 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 129.7 | 178.7 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | T1949 | T1949-V1967 HydrophobicContact CG2-CG1 3.48Å; T1949-V1967 VanDerWaalsContact CG2-CG1 3.48Å |
| 1968 | V | 81.8 | Confident | 66.9 | Low | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 134.1 | -174.4 | -173.6 | 0 | 0 | 0 | 0 | 109.5 | R1894 T1949 Y1950 I1952 I1970 | R1894-V1968 WeakPolarHBondContact O-CA 3.36Å; T1949-V1968 WeakPolarHBondContact CA-O 3.35Å; Y1950-V1968 PolarHBondContact N-O 2.91Å; Y1950-V1968 PolarHBondContact O-N 2.88Å; I1952-V1968 HydrophobicContact CD1-CG2 3.66Å; I1952-V1968 HydrophobicContact CG1-CG2 4.06Å; V1968-I1970 HydrophobicContact CG1-CD1 3.77Å; V1968-I1970 HydrophobicContact CG1-CG1 4.38Å |
| 1969 | H | 76.3 | Confident | 66.7 | Low | 117 Ų | 117 | 73.4 Ų | 73.4 | 54% | 0.542 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 126 | 171 | -63 | -47.7 | 0 | 0 | 0 | 110.5 | R1894 E1895 G1896 T1949 | R1894-H1969 PolarHBondContact O-N 2.82Å; R1894-H1969 VanDerWaalsContact O-N 3.17Å; E1895-H1969 WeakPolarHBondContact CA-O 3.42Å; G1896-H1969 PolarHBondContact N-O 2.69Å; T1949-H1969 PolarHBondContact OG1-CE1 3.46Å; T1949-H1969 VanDerWaalsContact OG1-CE1 3.29Å; T1949-H1969 PolarHBondContact OG1-ND1 2.9Å |
| 1970 | I | 77.7 | Confident | 67.1 | Low | 8 Ų | 8 | 70.9 Ų | 70.9 | 4% | 0.041 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 123.9 | 180 | -59.2 | -59.9 | 0 | 0 | 0 | 108.8 | G1896 A1898 P1944 P1947 G1948 Y1950 V1968 | G1896-I1970 WeakPolarHBondContact O-CA 3.42Å; A1898-I1970 HydrophobicContact CB-CG2 4.34Å; P1944-I1970 HydrophobicContact CB-CG1 4.34Å; P1944-I1970 HydrophobicContact CB-CG2 4.19Å; P1944-I1970 HydrophobicContact CG-CB 4.48Å; P1944-I1970 HydrophobicContact CG-CD1 3.93Å; P1944-I1970 HydrophobicContact CG-CG1 3.93Å; P1944-I1970 HydrophobicContact CG-CG2 3.74Å; P1947-I1970 CarbonylContact C-O 3.46Å; P1947-I1970 VanDerWaalsContact CA-O 3.31Å; P1947-I1970 WeakPolarHBondContact CA-O 3.29Å; P1947-I1970 WeakPolarHBondContact CB-O 3.21Å; G1948-I1970 PolarHBondContact N-O 2.95Å; G1948-I1970 PolarHBondContact O-N 2.94Å; Y1950-I1970 HydrophobicContact CD2-CB 3.89Å; Y1950-I1970 HydrophobicContact CD2-CG1 3.31Å; Y1950-I1970 HydrophobicContact CE2-CB 3.77Å; Y1950-I1970 HydrophobicContact CE2-CG1 3.61Å; Y1950-I1970 HydrophobicContact CE2-CG2 4.31Å; Y1950-I1970 HydrophobicContact CG-CG1 4.15Å; V1968-I1970 HydrophobicContact CG1-CD1 3.77Å; V1968-I1970 HydrophobicContact CG1-CG1 4.38Å |
| 1971 | G | 56.2 | Low | 67.4 | Low | 30 Ų | 30 | 74.8 Ų | 74.8 | 31% | 0.309 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -173.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G1896 M1897 A1898 | G1896-G1971 PolarHBondContact O-N 3.22Å; M1897-G1971 CarbonylContact C-O 3.34Å; M1897-G1971 WeakPolarHBondContact CA-O 3.3Å; M1897-G1971 VanDerWaalsContact SD-C 3.54Å; A1898-G1971 WeakPolarHBondContact CB-O 3.16Å; A1898-G1971 PolarHBondContact N-O 2.85Å |
| 1972 | G | 50.7 | Low | 67.4 | Low | 44 Ų | 44 | 76 Ų | 76 | 45% | 0.454 | 42% | 0.416 | S | S | . | . | S | Bend | trans | 99.6 | -176.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | P1947 | P1947-G1972 WeakPolarHBondContact CB-O 3.36Å; P1947-G1972 VanDerWaalsContact CG-O 3.26Å; P1947-G1972 WeakPolarHBondContact CG-O 3.39Å |
| 1973 | E | 44.2 | Very low | 67.8 | Low | 129 Ų | 129 | 75.7 Ų | 75.7 | 60% | 0.603 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -96.5 | 144.5 | -177.7 | -64 | 175.6 | 124.1 | 0 | 0 | 111.5 | K1260 N1899 | K1260-E1973 IonicContact NZ-OE2 3.84Å; K1260-E1973 PolarHBondContact NZ-OE2 3.46Å; N1899-E1973 PolarHBondContact ND2-O 3.26Å; N1899-E1973 VanDerWaalsContact ND2-O 3.17Å |
| 1974 | P | 48 | Very low | 68.3 | Low | 75 Ų | 75 | 79.2 Ų | 79.2 | 49% | 0.487 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 150.1 | -180 | 31.5 | -35.7 | 0 | 0 | 0 | 113.5 | E1946 L1976 | E1946-P1974 HydrophobicContact CB-CB 4.33Å; E1946-P1974 HydrophobicContact CG-CB 3.87Å; P1974-L1976 PolarHBondContact O-N 2.88Å |
| 1975 | S | 48.6 | Very low | 68.4 | Low | 71 Ų | 71 | 84.9 Ų | 84.9 | 50% | 0.497 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -73 | 119.9 | 174.5 | -176.4 | 0 | 0 | 0 | 0 | 112.6 | T1945 | T1945-S1975 PolarHBondContact O-N 2.89Å; T1945-S1975 VanDerWaalsContact O-N 3.07Å |
| 1976 | L | 51.2 | Low | 68.7 | Low | 148 Ų | 148 | 82.2 Ų | 82.2 | 78% | 0.775 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -75 | 127.9 | 178.6 | -70.4 | 168.1 | 0 | 0 | 0 | 112.4 | P1974 | P1974-L1976 PolarHBondContact O-N 2.88Š|
| 1977 | R | 51.1 | Low | 68.1 | Low | 168 Ų | 168 | 89 Ų | 89 | 63% | 0.634 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 143.9 | 163.2 | -69.2 | -174.4 | 174.6 | -159.3 | -6.4 | 110.7 | E2114 | R1977-E2114 HydrophobicContact CB-CG 4.41Å; R1977-E2114 WeakPolarHBondContact CD-OE1 3.21Å; R1977-E2114 IonicContact CZ-OE1 2.74Å; R1977-E2114 IonicContact NE-OE1 3.5Å; R1977-E2114 IonicContact NH1-OE1 2.61Å; R1977-E2114 PolarHBondContact NH1-OE1 3.3Å |
| 1978 | M | 55.6 | Low | 67.7 | Low | 95 Ų | 95 | 90.6 Ų | 90.6 | 47% | 0.468 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 141 | 178.7 | -60.1 | -170.2 | -171.5 | 0 | 0 | 110.8 | E2114 G2115 K2118 | M1978-E2114 CarbonylContact O-C 3.49Å; M1978-E2114 VanDerWaalsContact O-CA 3.32Å; M1978-E2114 WeakPolarHBondContact O-CA 3.2Å; M1978-G2115 PolarHBondContact N-O 2.96Å; M1978-G2115 PolarHBondContact O-N 2.89Å; M1978-K2118 HydrophobicContact CB-CB 4.16Å; M1978-K2118 HydrophobicContact SD-CB 3.95Å; M1978-K2118 PolarHBondContact SD-N 2.74Å; M1978-K2118 VanDerWaalsContact SD-N 3.38Å |
| 1979 | M | 66.5 | Low | 67 | Low | 108 Ų | 108 | 91.4 Ų | 91.4 | 53% | 0.532 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 136 | 178.1 | -176.9 | -170.3 | -73.3 | 0 | 0 | 110 | I2113 E2114 | M1979-I2113 VanDerWaalsContact CA-O 3.31Å; M1979-I2113 WeakPolarHBondContact CA-O 3.06Å; M1979-E2114 HydrophobicContact CB-CB 4.23Å; M1979-E2114 HydrophobicContact CB-CG 4.32Å; M1979-E2114 HydrophobicContact CE-CB 3.97Å; M1979-E2114 HydrophobicContact CE-CG 4.1Å; M1979-E2114 VanDerWaalsContact CE-OE2 3.28Å; M1979-E2114 WeakPolarHBondContact CE-OE2 2.96Å; M1979-E2114 HydrophobicContact CG-CB 4.21Å |
| 1980 | E | 78.4 | Confident | 66.6 | Low | 64 Ų | 64 | 92.8 Ų | 92.8 | 30% | 0.299 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 147.9 | 165.2 | -171.3 | 75 | 132.6 | 0 | 0 | 110 | A2112 I2113 K2118 A2119 I2121 | E1980-A2112 CarbonylContact O-C 3.52Å; E1980-A2112 VanDerWaalsContact O-CA 3.23Å; E1980-A2112 WeakPolarHBondContact O-CA 3.48Å; E1980-I2113 PolarHBondContact N-O 2.7Å; E1980-I2113 PolarHBondContact O-N 2.78Å; E1980-K2118 HydrophobicContact CB-CG 4.35Å; E1980-K2118 WeakPolarHBondContact OE1-CE 3.49Å; E1980-K2118 IonicContact OE1-NZ 3.67Å; E1980-K2118 PolarHBondContact OE1-NZ 2.79Å; E1980-K2118 WeakPolarHBondContact OE2-CE 3.35Å; E1980-K2118 IonicContact OE2-NZ 2.95Å; E1980-K2118 PolarHBondContact OE2-NZ 2.76Å; E1980-K2118 VanDerWaalsContact OE2-NZ 3.1Å; E1980-A2119 WeakPolarHBondContact CB-O 3.38Å; E1980-A2119 WeakPolarHBondContact CG-O 3.16Å; E1980-I2121 HydrophobicContact CB-CD1 4.1Å; E1980-I2121 HydrophobicContact CB-CG1 4.42Å; E1980-I2121 HydrophobicContact CG-CD1 4.13Å; E1980-I2121 HydrophobicContact CG-CG1 4.25Å |
| 1981 | R | 82.8 | Confident | 66.3 | Low | 168 Ų | 168 | 94.1 Ų | 94.1 | 63% | 0.634 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 138.5 | 179.4 | 179.4 | 179.6 | 67.9 | 175.6 | 1.4 | 112.1 | I2111 A2112 | R1981-I2111 CarbonylContact C-O 3.47Å; R1981-I2111 WeakPolarHBondContact CA-O 3.39Å; R1981-A2112 HydrophobicContact CB-CB 3.85Å; R1981-A2112 HydrophobicContact CG-CB 3.92Å |
| 1982 | I | 84.1 | Confident | 67.3 | Low | 29 Ų | 29 | 93.5 Ų | 93.5 | 15% | 0.149 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 151.6 | 168.4 | 60.4 | 168.5 | 0 | 0 | 0 | 110.9 | S2110 I2111 I2121 F2123 | I1982-S2110 WeakPolarHBondContact O-CA 3.47Å; I1982-I2111 HydrophobicContact CD1-CB 4.42Å; I1982-I2111 HydrophobicContact CD1-CD1 4.03Å; I1982-I2111 HydrophobicContact CG1-CB 3.9Å; I1982-I2111 HydrophobicContact CG1-CD1 4.33Å; I1982-I2111 PolarHBondContact N-O 2.94Å; I1982-I2111 PolarHBondContact O-N 2.77Å; I1982-I2121 HydrophobicContact CD1-CB 4.37Å; I1982-I2121 HydrophobicContact CD1-CG2 3.61Å; I1982-I2121 HydrophobicContact CG1-CG2 4.08Å; I1982-I2121 HydrophobicContact CG2-CB 4.33Å; I1982-F2123 HydrophobicContact CD1-CB 3.66Å; I1982-F2123 HydrophobicContact CD1-CD2 4.18Å; I1982-F2123 HydrophobicContact CD1-CG 4.22Å |
| 1983 | T | 82.7 | Confident | 68.8 | Low | 73 Ų | 73 | 98.4 Ų | 98.4 | 45% | 0.448 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 137.1 | 175.6 | -51.1 | 0 | 0 | 0 | 0 | 109.9 | L2109 S2110 | T1983-L2109 CarbonylContact C-O 3.59Å; T1983-L2109 WeakPolarHBondContact CA-O 3.46Å; T1983-S2110 PolarHBondContact OG1-OG 3.17Å |
| 1984 | R | 82.1 | Confident | 70.6 | Confident | 125 Ų | 125 | 95.7 Ų | 95.7 | 47% | 0.472 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 133.6 | -171.6 | -62 | -65.3 | -172.2 | -153 | 3.4 | 109.8 | G2108 L2109 F2123 | R1984-G2108 CarbonylContact O-C 3.59Å; R1984-L2109 PolarHBondContact N-O 2.84Å; R1984-L2109 PolarHBondContact O-N 2.86Å; R1984-F2123 HydrophobicContact CB-CE1 4.15Å; R1984-F2123 HydrophobicContact CB-CZ 4.09Å; R1984-F2123 HydrophobicContact CG-CD1 3.81Å; R1984-F2123 HydrophobicContact CG-CD2 4.33Å; R1984-F2123 HydrophobicContact CG-CE1 3.71Å; R1984-F2123 HydrophobicContact CG-CE2 4.25Å; R1984-F2123 HydrophobicContact CG-CG 4.13Å; R1984-F2123 HydrophobicContact CG-CZ 3.95Å |
| 1985 | Q | 81.5 | Confident | 72 | Confident | 144 Ų | 144 | 94.5 Ų | 94.5 | 67% | 0.673 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 139.9 | 173.3 | -69.9 | -66.1 | -15.9 | 0 | 0 | 110.5 | G2107 | Q1985-G2107 VanDerWaalsContact OE1-C 3.31Å; Q1985-G2107 PolarHBondContact OE1-O 2.82Å |
| 1986 | R | 81.5 | Confident | 73.3 | Confident | 16 Ų | 16 | 93 Ų | 93 | 6% | 0.06 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 134.1 | 175 | -64.3 | -64.6 | -59.7 | 167.1 | 4.4 | 109.9 | T2101 A2106 G2107 L2109 D2125 C2131 F2149 | R1986-T2101 HydrophobicContact CG-CG2 4.48Å; R1986-T2101 PolarHBondContact NE-OG1 2.79Å; R1986-T2101 PolarHBondContact NH2-OG1 3.28Å; R1986-A2106 CarbonylContact O-C 3.55Å; R1986-A2106 WeakPolarHBondContact O-CA 3.48Å; R1986-A2106 WeakPolarHBondContact O-CB 3.44Å; R1986-G2107 VanDerWaalsContact CB-O 3.31Å; R1986-G2107 WeakPolarHBondContact CB-O 2.89Å; R1986-G2107 PolarHBondContact N-O 3.4Å; R1986-G2107 PolarHBondContact O-N 2.76Å; R1986-L2109 HydrophobicContact CG-CB 4.14Å; R1986-D2125 IonicContact CZ-OD1 3.7Å; R1986-D2125 IonicContact CZ-OD2 3.44Å; R1986-D2125 IonicContact NH1-OD1 2.73Å; R1986-D2125 PolarHBondContact NH1-OD1 3.29Å; R1986-D2125 IonicContact NH1-OD2 3.32Å; R1986-D2125 PolarHBondContact NH1-OD2 3.26Å; R1986-C2131 PolarHBondContact NH1-SG 3.12Å; R1986-F2149 HydrophobicContact CB-CE2 4.19Å; R1986-F2149 HydrophobicContact CG-CE2 4Å |
| 1987 | E | 70.9 | Confident | 74.9 | Confident | 177 Ų | 177 | 92 Ų | 92 | 83% | 0.827 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -88 | 164.7 | 170.5 | -61.6 | -172 | 156.1 | 0 | 0 | 111.1 | ||
| 1988 | L | 69.9 | Low | 76.4 | Confident | 113 Ų | 113 | 84.1 Ų | 84.1 | 59% | 0.592 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -74.5 | 130.8 | -179.5 | -161.6 | 89.1 | 0 | 0 | 0 | 110.4 | ||
| 1989 | A | 66.5 | Low | 77.7 | Confident | 18 Ų | 18 | 82.6 Ų | 82.6 | 15% | 0.149 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 144 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R2102 | A1989-R2102 HydrophobicContact CB-CG 3.75Š|
| 1990 | D | 68.9 | Low | 78.2 | Confident | 146 Ų | 146 | 77.5 Ų | 77.5 | 78% | 0.781 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 137.1 | -176.9 | -90.4 | -45.2 | 0 | 0 | 0 | 114.1 | T1992 | D1990-T1992 PolarHBondContact O-N 3.39Å; D1990-T1992 PolarHBondContact O-OG1 2.54Å |
| 1991 | A | 70.9 | Confident | 78.2 | Confident | 36 Ų | 36 | 75.9 Ų | 75.9 | 30% | 0.298 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 121.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111 | Y1993 | A1991-Y1993 WeakPolarHBondContact O-CD2 3.31Å; A1991-Y1993 WeakPolarHBondContact O-CE2 3.48Å |
| 1992 | T | 76.9 | Confident | 77.6 | Confident | 17 Ų | 17 | 68.1 Ų | 68.1 | 10% | 0.104 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -99 | 139.1 | -173.7 | -49.4 | 0 | 0 | 0 | 0 | 111.1 | D1990 C1998 F2066 V2068 G2069 R2102 | D1990-T1992 PolarHBondContact O-N 3.39Å; D1990-T1992 PolarHBondContact O-OG1 2.54Å; T1992-C1998 VanDerWaalsContact CG2-SG 3.58Å; T1992-F2066 HydrophobicContact CG2-CE1 4.15Å; T1992-V2068 CarbonylContact O-C 3.53Å; T1992-V2068 VanDerWaalsContact O-C 3.27Å; T1992-V2068 WeakPolarHBondContact O-CA 3.44Å; T1992-G2069 PolarHBondContact O-N 2.84Å; T1992-R2102 PolarHBondContact OG1-NH2 3.29Å |
| 1993 | Y | 82.2 | Confident | 76.9 | Confident | 147 Ų | 147 | 68.5 Ų | 68.5 | 58% | 0.576 | 36% | 0.355 | S | S | * | . | trans | -107.6 | 163.7 | -171.2 | -60.9 | -86.6 | 0 | 0 | 0 | 112.8 | A1991 G1995 S1996 | A1991-Y1993 WeakPolarHBondContact O-CD2 3.31Å; A1991-Y1993 WeakPolarHBondContact O-CE2 3.48Å; Y1993-G1995 PolarHBondContact O-N 2.76Å; Y1993-S1996 PolarHBondContact N-OG 2.81Å; Y1993-S1996 VanDerWaalsContact O-CB 3.24Å; Y1993-S1996 WeakPolarHBondContact O-CB 3.39Å; Y1993-S1996 PolarHBondContact O-N 2.61Å; Y1993-S1996 PolarHBondContact O-OG 2.95Å | ||
| 1994 | V | 82.4 | Confident | 76.3 | Confident | 71 Ų | 71 | 66.1 Ų | 66.1 | 43% | 0.43 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 129.9 | 173.3 | -169.5 | 0 | 0 | 0 | 0 | 109.4 | S1996 P2042 Q2043 M2045 V2068 | V1994-S1996 VanDerWaalsContact C-N 3.32Å; V1994-P2042 WeakPolarHBondContact CG1-O 3.25Å; V1994-Q2043 VanDerWaalsContact CG1-C 3.4Å; V1994-Q2043 WeakPolarHBondContact CG1-O 3.42Å; V1994-M2045 HydrophobicContact CG2-CB 3.73Å; V1994-M2045 HydrophobicContact CG2-CG 4.24Å; V1994-V2068 HydrophobicContact CG2-CG1 4.38Å |
| 1995 | G | 76.5 | Confident | 75 | Confident | 50 Ų | 50 | 61.7 Ų | 61.7 | 52% | 0.515 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | -3.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y1993 P2042 | Y1993-G1995 PolarHBondContact O-N 2.76Å; G1995-P2042 PolarHBondContact N-O 3.07Å |
| 1996 | S | 77.8 | Confident | 73.7 | Confident | 39 Ų | 39 | 58.8 Ų | 58.8 | 27% | 0.273 | 34% | 0.335 | S | S | . | . | trans | -66.8 | 146.9 | 167.8 | -63.6 | 0 | 0 | 0 | 0 | 110.9 | Y1993 V1994 C1998 P2042 | Y1993-S1996 PolarHBondContact N-OG 2.81Å; Y1993-S1996 VanDerWaalsContact O-CB 3.24Å; Y1993-S1996 WeakPolarHBondContact O-CB 3.39Å; Y1993-S1996 PolarHBondContact O-N 2.61Å; Y1993-S1996 PolarHBondContact O-OG 2.95Å; V1994-S1996 VanDerWaalsContact C-N 3.32Å; S1996-C1998 PolarHBondContact O-N 3.41Å; S1996-P2042 WeakPolarHBondContact O-CD 3.44Å | ||
| 1997 | Q | 84.1 | Confident | 72.8 | Confident | 128 Ų | 128 | 59.5 Ų | 59.5 | 60% | 0.598 | 34% | 0.34 | S | S | * | . | trans | -77.1 | 113.4 | 169.7 | -174.1 | 168 | -37.7 | 0 | 0 | 109.2 | E1999 | Q1997-E1999 PolarHBondContact NE2-OE1 3.07Š| ||
| 1998 | C | 81.4 | Confident | 72.4 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.014 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 135.7 | 179.9 | -66.5 | 0 | 0 | 0 | 0 | 110.3 | T1992 S1996 K2039 F2040 P2042 F2066 | T1992-C1998 VanDerWaalsContact CG2-SG 3.58Å; S1996-C1998 PolarHBondContact O-N 3.41Å; C1998-K2039 WeakPolarHBondContact O-CA 3.45Å; C1998-F2040 HydrophobicContact CB-CD1 3.93Å; C1998-F2040 HydrophobicContact CB-CD2 3.94Å; C1998-F2040 HydrophobicContact CB-CE1 3.59Å; C1998-F2040 HydrophobicContact CB-CE2 3.6Å; C1998-F2040 HydrophobicContact CB-CG 4.11Å; C1998-F2040 HydrophobicContact CB-CZ 3.42Å; C1998-F2040 VanDerWaalsContact CB-CZ 3.42Å; C1998-F2040 WeakPolarHBondContact CB-O 3.07Å; C1998-F2040 PolarHBondContact N-O 2.86Å; C1998-F2040 PolarHBondContact O-N 2.78Å; C1998-P2042 VanDerWaalsContact SG-CD 3.56Å; C1998-F2066 HydrophobicContact CB-CE1 3.86Å; C1998-F2066 HydrophobicContact CB-CE2 4.24Å; C1998-F2066 HydrophobicContact CB-CZ 3.66Å; C1998-F2066 WeakPolarHBondContact SG-CE1 3.28Å |
| 1999 | E | 83.1 | Confident | 72.4 | Confident | 63 Ų | 63 | 52.7 Ų | 52.7 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 142.7 | -179.2 | -48 | -159.2 | 168 | 0 | 0 | 110.2 | Q1997 T2037 I2038 K2039 | Q1997-E1999 PolarHBondContact NE2-OE1 3.07Å; E1999-T2037 HydrophobicContact CB-CG2 4.13Å; E1999-I2038 CarbonylContact C-O 3.54Å; E1999-I2038 WeakPolarHBondContact CA-O 3.37Å; E1999-K2039 HydrophobicContact CG-CD 4.2Å; E1999-K2039 HydrophobicContact CG-CG 4.03Å; E1999-K2039 VanDerWaalsContact OE1-CD 3.27Å; E1999-K2039 WeakPolarHBondContact OE1-CD 3.41Å; E1999-K2039 WeakPolarHBondContact OE1-CE 3.47Å; E1999-K2039 IonicContact OE1-NZ 3.63Å; E1999-K2039 PolarHBondContact OE1-NZ 2.64Å; E1999-K2039 WeakPolarHBondContact OE2-CE 3.29Å; E1999-K2039 IonicContact OE2-NZ 3.48Å; E1999-K2039 PolarHBondContact OE2-NZ 2.88Å |
| 2000 | L | 77.9 | Confident | 72.2 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 114.6 | 177.5 | 169.3 | 65.9 | 0 | 0 | 0 | 108.5 | L2002 I2038 V2050 F2064 Y2100 | L2000-L2002 HydrophobicContact CD1-CD2 4.32Å; L2000-L2002 HydrophobicContact CG-CD2 4.39Å; L2000-L2002 HydrophobicContact CG-CG 4.36Å; L2000-I2038 HydrophobicContact CB-CB 4.35Å; L2000-I2038 HydrophobicContact CD2-CD1 4.06Å; L2000-I2038 HydrophobicContact CG-CD1 4.36Å; L2000-I2038 PolarHBondContact N-O 2.91Å; L2000-I2038 PolarHBondContact O-N 2.96Å; L2000-V2050 HydrophobicContact CD2-CB 4.39Å; L2000-V2050 HydrophobicContact CD2-CG1 4.04Å; L2000-F2064 HydrophobicContact CD2-CB 4.11Å; L2000-F2064 HydrophobicContact CD2-CD2 3.78Å; L2000-F2064 HydrophobicContact CD2-CE2 4.4Å; L2000-F2064 HydrophobicContact CD2-CG 3.97Å; L2000-Y2100 HydrophobicContact CD1-CD2 3.73Å; L2000-Y2100 HydrophobicContact CD1-CE2 3.45Å; L2000-Y2100 VanDerWaalsContact CD1-CE2 3.45Å |
| 2001 | N | 77.7 | Confident | 72.2 | Confident | 31 Ų | 31 | 53 Ų | 53 | 17% | 0.166 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 137.3 | 179.8 | -63.9 | -68.7 | 0 | 0 | 0 | 111.8 | Y2036 T2037 D2128 | N2001-Y2036 WeakPolarHBondContact CA-O 3.23Å; N2001-T2037 WeakPolarHBondContact OD1-CB 3.25Å; N2001-T2037 WeakPolarHBondContact OD1-CG2 3.36Å; N2001-T2037 PolarHBondContact OD1-OG1 3.35Å; N2001-D2128 WeakPolarHBondContact CB-OD2 3.48Å; N2001-D2128 PolarHBondContact ND2-OD2 3.01Å |
| 2002 | L | 71.5 | Confident | 72.3 | Confident | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 131.1 | -178.1 | -59.7 | 175.3 | 0 | 0 | 0 | 110.4 | L2000 I2004 Y2036 I2038 V2052 I2059 F2064 | L2000-L2002 HydrophobicContact CD1-CD2 4.32Å; L2000-L2002 HydrophobicContact CG-CD2 4.39Å; L2000-L2002 HydrophobicContact CG-CG 4.36Å; L2002-I2004 HydrophobicContact CB-CD1 3.99Å; L2002-I2004 HydrophobicContact CB-CG1 3.91Å; L2002-I2004 HydrophobicContact CD1-CD1 4.16Å; L2002-Y2036 PolarHBondContact N-O 2.87Å; L2002-Y2036 PolarHBondContact O-N 2.85Å; L2002-I2038 HydrophobicContact CD1-CD1 3.54Å; L2002-I2038 HydrophobicContact CG-CD1 4.31Å; L2002-V2052 HydrophobicContact CD1-CG1 4.38Å; L2002-I2059 HydrophobicContact CD1-CD1 3.74Å; L2002-F2064 HydrophobicContact CD1-CE2 3.86Å; L2002-F2064 HydrophobicContact CD1-CZ 4.03Å; L2002-F2064 HydrophobicContact CD2-CE1 4.13Å; L2002-F2064 HydrophobicContact CD2-CE2 4.27Å; L2002-F2064 HydrophobicContact CD2-CZ 3.76Å |
| 2003 | K | 68.7 | Low | 72.4 | Confident | 37 Ų | 37 | 53.6 Ų | 53.6 | 16% | 0.161 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 117 | 167.8 | -163.8 | 177.7 | 179.3 | -176.9 | 0 | 109.3 | V2034 D2096 S2098 | K2003-V2034 CarbonylContact C-O 3.56Å; K2003-V2034 VanDerWaalsContact CA-O 3.27Å; K2003-V2034 WeakPolarHBondContact CA-O 3.37Å; K2003-V2034 HydrophobicContact CD-CG2 4.42Å; K2003-V2034 HydrophobicContact CG-CB 4.26Å; K2003-V2034 HydrophobicContact CG-CG2 4.11Å; K2003-D2096 VanDerWaalsContact CE-OD2 3.22Å; K2003-D2096 WeakPolarHBondContact CE-OD2 3.49Å; K2003-D2096 IonicContact NZ-OD1 2.74Å; K2003-D2096 PolarHBondContact NZ-OD1 3Å; K2003-D2096 IonicContact NZ-OD2 3.29Å; K2003-D2096 PolarHBondContact NZ-OD2 2.9Å; K2003-S2098 WeakPolarHBondContact CB-OG 3.24Å |
| 2004 | I | 69.5 | Low | 72.5 | Confident | 23 Ų | 23 | 46.6 Ų | 46.6 | 12% | 0.118 | 27% | 0.271 | C | S | . | . | trans | -136.2 | 82.7 | -176.6 | -32.4 | 174.3 | 0 | 0 | 0 | 110.1 | L2002 I2007 L2012 V2034 Y2036 I2059 | L2002-I2004 HydrophobicContact CB-CD1 3.99Å; L2002-I2004 HydrophobicContact CB-CG1 3.91Å; L2002-I2004 HydrophobicContact CD1-CD1 4.16Å; I2004-I2007 HydrophobicContact CB-CD1 4.43Å; I2004-I2007 HydrophobicContact CG2-CD1 3.47Å; I2004-I2007 VanDerWaalsContact CG2-CD1 3.47Å; I2004-I2007 HydrophobicContact CG2-CG1 4.29Å; I2004-L2012 HydrophobicContact CD1-CD1 4.33Å; I2004-V2034 PolarHBondContact N-O 2.61Å; I2004-Y2036 HydrophobicContact CB-CD2 4.21Å; I2004-Y2036 HydrophobicContact CB-CE2 4.38Å; I2004-Y2036 HydrophobicContact CD1-CD2 4.43Å; I2004-Y2036 HydrophobicContact CG1-CD2 4.22Å; I2004-I2059 HydrophobicContact CD1-CD1 3.64Å | ||
| 2005 | P | 55.5 | Low | 72.6 | Confident | 31 Ų | 31 | 46.4 Ų | 46.4 | 20% | 0.201 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 148.4 | -174.2 | -24.3 | 34.8 | 0 | 0 | 0 | 114.6 | I2007 V2034 D2096 | P2005-I2007 VanDerWaalsContact C-N 3.29Å; P2005-I2007 PolarHBondContact O-N 2.94Å; P2005-V2034 HydrophobicContact CB-CB 4.42Å; P2005-V2034 HydrophobicContact CB-CG1 3.98Å; P2005-V2034 HydrophobicContact CG-CB 4.34Å; P2005-V2034 HydrophobicContact CG-CG1 4.36Å; P2005-D2096 HydrophobicContact CG-CB 4.15Å |
| 2006 | G | 54.1 | Low | 73.1 | Confident | 83 Ų | 83 | 44.4 Ų | 44.4 | 86% | 0.856 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 8.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 2007 | I | 62.7 | Low | 73.3 | Confident | 32 Ų | 32 | 43.9 Ų | 43.9 | 16% | 0.164 | 24% | 0.241 | C | C | . | . | trans | -97.1 | 145.9 | 177 | -68.5 | -173.7 | 0 | 0 | 0 | 110.6 | I2004 P2005 L2012 Y2036 H2054 | I2004-I2007 HydrophobicContact CB-CD1 4.43Å; I2004-I2007 HydrophobicContact CG2-CD1 3.47Å; I2004-I2007 VanDerWaalsContact CG2-CD1 3.47Å; I2004-I2007 HydrophobicContact CG2-CG1 4.29Å; P2005-I2007 VanDerWaalsContact C-N 3.29Å; P2005-I2007 PolarHBondContact O-N 2.94Å; I2007-L2012 HydrophobicContact CG2-CD1 3.81Å; I2007-L2012 HydrophobicContact CG2-CG 4.11Å; I2007-Y2036 PolarHBondContact O-OH 2.76Å; I2007-H2054 HydrophobicContact CD1-CB 4.27Å; I2007-H2054 VanDerWaalsContact CG2-CD2 3.48Å; I2007-H2054 WeakPolarHBondContact CG2-CD2 3.47Å | ||
| 2008 | N | 61.1 | Low | 73.1 | Confident | 81 Ų | 81 | 38.6 Ų | 38.6 | 43% | 0.433 | 22% | 0.218 | S | C | . | . | trans | -91.1 | 130 | 169.6 | -170 | -52.8 | 0 | 0 | 0 | 109.9 | R2010 D2011 | N2008-R2010 PolarHBondContact O-N 3.15Å; N2008-R2010 VanDerWaalsContact OD1-CB 3.26Å; N2008-R2010 WeakPolarHBondContact OD1-CB 3.48Å; N2008-R2010 VanDerWaalsContact OD1-CG 3.24Å; N2008-R2010 WeakPolarHBondContact OD1-CG 3.48Å; N2008-R2010 PolarHBondContact OD1-N 3.33Å; N2008-D2011 WeakPolarHBondContact O-CB 3.47Å; N2008-D2011 PolarHBondContact O-N 2.98Å | ||
| 2009 | I | 70.4 | Confident | 72.7 | Confident | 66 Ų | 66 | 41.7 Ų | 41.7 | 34% | 0.338 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -55.6 | -27.8 | 178.8 | -166.4 | 163.6 | 0 | 0 | 0 | 113.9 | D2011 L2012 V2028 A2030 Y2036 | I2009-D2011 PolarHBondContact O-N 3.49Å; I2009-D2011 VanDerWaalsContact O-N 3.16Å; I2009-L2012 PolarHBondContact O-N 3.09Å; I2009-V2028 HydrophobicContact CD1-CG1 4.42Å; I2009-A2030 HydrophobicContact CD1-CB 3.9Å; I2009-Y2036 HydrophobicContact CB-CE1 4.04Å; I2009-Y2036 HydrophobicContact CD1-CD1 4.33Å; I2009-Y2036 HydrophobicContact CD1-CE1 4.31Å; I2009-Y2036 HydrophobicContact CG1-CD1 4.5Å; I2009-Y2036 HydrophobicContact CG1-CE1 4.26Å |
| 2010 | R | 62 | Low | 72.3 | Confident | 124 Ų | 124 | 42 Ų | 42 | 47% | 0.468 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -57.9 | -26.5 | 174.9 | -63.2 | -180 | -169.6 | -172.4 | 5.1 | 112.5 | N2008 Y2407 E2410 | N2008-R2010 PolarHBondContact O-N 3.15Å; N2008-R2010 VanDerWaalsContact OD1-CB 3.26Å; N2008-R2010 WeakPolarHBondContact OD1-CB 3.48Å; N2008-R2010 VanDerWaalsContact OD1-CG 3.24Å; N2008-R2010 WeakPolarHBondContact OD1-CG 3.48Å; N2008-R2010 PolarHBondContact OD1-N 3.33Å; R2010-Y2407 VanDerWaalsContact CZ-CD2 3.41Å; R2010-Y2407 VanDerWaalsContact NH1-CD2 3.3Å; R2010-E2410 IonicContact CZ-OE1 2.85Å; R2010-E2410 IonicContact CZ-OE2 2.74Å; R2010-E2410 IonicContact NH1-OE1 2.66Å; R2010-E2410 PolarHBondContact NH1-OE1 2.64Å; R2010-E2410 IonicContact NH1-OE2 3.83Å; R2010-E2410 PolarHBondContact NH1-OE2 2.93Å; R2010-E2410 IonicContact NH2-OE1 2.72Å; R2010-E2410 PolarHBondContact NH2-OE1 3.33Å; R2010-E2410 IonicContact NH2-OE2 3.78Å |
| 2011 | D | 69.6 | Low | 71.9 | Confident | 47 Ų | 47 | 44.4 Ų | 44.4 | 25% | 0.251 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -92.6 | -7.4 | 179.2 | -74.4 | -46.4 | 0 | 0 | 0 | 113.8 | N2008 I2009 H2054 R2055 | N2008-D2011 WeakPolarHBondContact O-CB 3.47Å; N2008-D2011 PolarHBondContact O-N 2.98Å; I2009-D2011 PolarHBondContact O-N 3.49Å; I2009-D2011 VanDerWaalsContact O-N 3.16Å; D2011-H2054 VanDerWaalsContact CB-CD2 3.46Å; D2011-H2054 WeakPolarHBondContact CB-CD2 3.33Å; D2011-H2054 CarbonylContact O-C 3.55Å; D2011-H2054 WeakPolarHBondContact O-CA 3.39Å; D2011-R2055 HydrophobicContact CB-CG 3.75Å; D2011-R2055 PolarHBondContact O-N 2.86Å; D2011-R2055 WeakPolarHBondContact OD1-CG 3.09Å; D2011-R2055 IonicContact OD1-NE 2.68Å; D2011-R2055 PolarHBondContact OD1-NE 2.87Å; D2011-R2055 IonicContact OD2-CZ 3.71Å; D2011-R2055 VanDerWaalsContact OD2-CZ 3.22Å; D2011-R2055 IonicContact OD2-NE 3.72Å; D2011-R2055 PolarHBondContact OD2-NE 2.95Å; D2011-R2055 IonicContact OD2-NH2 2.71Å; D2011-R2055 PolarHBondContact OD2-NH2 3.42Å |
| 2012 | L | 73.4 | Confident | 71.6 | Confident | 10 Ų | 10 | 46.5 Ų | 46.5 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 136.6 | -177.7 | -105.1 | 164.3 | 0 | 0 | 0 | 112.1 | I2004 I2007 I2009 Y2036 V2052 | I2004-L2012 HydrophobicContact CD1-CD1 4.33Å; I2007-L2012 HydrophobicContact CG2-CD1 3.81Å; I2007-L2012 HydrophobicContact CG2-CG 4.11Å; I2009-L2012 PolarHBondContact O-N 3.09Å; L2012-Y2036 HydrophobicContact CD1-CD1 4Å; L2012-Y2036 HydrophobicContact CD1-CD2 4.39Å; L2012-Y2036 HydrophobicContact CD1-CE1 4.13Å; L2012-Y2036 HydrophobicContact CD1-CG 4.15Å; L2012-V2052 HydrophobicContact CD2-CG1 3.79Å |
| 2013 | T | 78.8 | Confident | 71.7 | Confident | 54 Ų | 54 | 50 Ų | 50 | 33% | 0.331 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 138.7 | 177.7 | 52.1 | 0 | 0 | 0 | 0 | 110.5 | V2052 R2053 | T2013-V2052 CarbonylContact O-C 3.57Å; T2013-V2052 WeakPolarHBondContact O-CA 3.44Å; T2013-R2053 PolarHBondContact N-O 3.01Å; T2013-R2053 PolarHBondContact O-N 3.36Å; T2013-R2053 PolarHBondContact OG1-O 3.09Å; T2013-R2053 VanDerWaalsContact OG1-O 3.1Å |
| 2014 | A | 84.9 | Confident | 72.2 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 142 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R2025 C2026 V2028 I2038 S2051 V2052 | A2014-R2025 WeakPolarHBondContact O-CG 3.49Å; A2014-C2026 HydrophobicContact CB-CB 3.91Å; A2014-C2026 PolarHBondContact O-N 3.44Å; A2014-V2028 HydrophobicContact CB-CG2 3.55Å; A2014-I2038 HydrophobicContact CB-CG1 4.17Å; A2014-I2038 HydrophobicContact CB-CG2 3.76Å; A2014-S2051 CarbonylContact C-O 3.58Å; A2014-S2051 WeakPolarHBondContact CA-O 3.36Å; A2014-V2052 HydrophobicContact CB-CG2 4.27Å |
| 2015 | N | 84.9 | Confident | 72.7 | Confident | 67 Ų | 67 | 60.4 Ų | 60.4 | 36% | 0.358 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 139.5 | 175.5 | -66.5 | -18.6 | 0 | 0 | 0 | 109.5 | Q2024 R2025 C2026 V2050 S2051 | N2015-Q2024 CarbonylContact C-O 3.53Å; N2015-Q2024 WeakPolarHBondContact CA-O 3.41Å; N2015-Q2024 WeakPolarHBondContact CB-O 3.26Å; N2015-R2025 WeakPolarHBondContact OD1-CA 3.03Å; N2015-C2026 VanDerWaalsContact C-SG 3.52Å; N2015-V2050 CarbonylContact O-C 3.55Å; N2015-S2051 PolarHBondContact N-O 3.16Å; N2015-S2051 PolarHBondContact O-N 2.87Å |
| 2016 | V | 86.4 | Confident | 74.1 | Confident | 8 Ų | 8 | 59.1 Ų | 59.1 | 5% | 0.048 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 139.9 | 169.8 | 62.3 | 0 | 0 | 0 | 0 | 109.7 | S2023 Q2024 C2026 F2040 H2048 T2049 V2050 | V2016-S2023 CarbonylContact O-C 3.43Å; V2016-S2023 VanDerWaalsContact O-CA 3.31Å; V2016-S2023 WeakPolarHBondContact O-CA 3.33Å; V2016-Q2024 HydrophobicContact CG1-CB 4.35Å; V2016-Q2024 PolarHBondContact N-O 2.83Å; V2016-Q2024 PolarHBondContact O-N 2.79Å; V2016-C2026 PolarHBondContact N-SG 2.82Å; V2016-F2040 HydrophobicContact CB-CB 4.46Å; V2016-F2040 HydrophobicContact CB-CD1 4.49Å; V2016-F2040 HydrophobicContact CB-CD2 4.15Å; V2016-F2040 HydrophobicContact CB-CG 4.13Å; V2016-F2040 HydrophobicContact CG1-CB 3.85Å; V2016-F2040 HydrophobicContact CG1-CD2 3.9Å; V2016-F2040 HydrophobicContact CG1-CG 3.93Å; V2016-F2040 HydrophobicContact CG2-CD2 3.88Å; V2016-F2040 HydrophobicContact CG2-CE2 3.81Å; V2016-F2040 HydrophobicContact CG2-CG 4.29Å; V2016-F2040 HydrophobicContact CG2-CZ 4.17Å; V2016-H2048 HydrophobicContact CG2-CB 3.82Å; V2016-T2049 CarbonylContact C-O 3.55Å; V2016-T2049 WeakPolarHBondContact CA-O 3.47Å; V2016-V2050 HydrophobicContact CB-CG2 4.47Å; V2016-V2050 HydrophobicContact CG2-CG2 4.13Å |
| 2017 | T | 81.2 | Confident | 75.3 | Confident | 29 Ų | 29 | 60.7 Ų | 60.7 | 18% | 0.178 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 132.3 | 171.7 | -53.1 | 0 | 0 | 0 | 0 | 109.9 | V2022 S2023 H2048 T2049 | T2017-V2022 WeakPolarHBondContact CA-O 3.42Å; T2017-S2023 PolarHBondContact OG1-OG 2.86Å; T2017-H2048 WeakPolarHBondContact O-CA 3.48Å; T2017-T2049 PolarHBondContact N-O 3.13Å; T2017-T2049 PolarHBondContact O-N 3.01Å |
| 2018 | S | 80.9 | Confident | 76.1 | Confident | 17 Ų | 17 | 60.7 Ų | 60.7 | 12% | 0.119 | 33% | 0.334 | C | S | . | . | trans | -74.2 | 164.6 | 177 | 65.5 | 0 | 0 | 0 | 0 | 112.8 | S2020 G2021 V2022 E2044 | S2018-S2020 PolarHBondContact O-N 2.8Å; S2018-S2020 PolarHBondContact OG-N 2.84Å; S2018-S2020 PolarHBondContact OG-OG 3.16Å; S2018-G2021 PolarHBondContact O-N 2.78Å; S2018-G2021 PolarHBondContact OG-N 2.89Å; S2018-V2022 PolarHBondContact N-O 2.81Å; S2018-V2022 WeakPolarHBondContact OG-CB 3.49Å; S2018-V2022 PolarHBondContact OG-N 3.09Å; S2018-V2022 PolarHBondContact OG-O 3.03Å; S2018-E2044 WeakPolarHBondContact CB-OE2 3.47Å | ||
| 2019 | P | 72.9 | Confident | 76.8 | Confident | 67 Ų | 67 | 60.9 Ų | 60.9 | 44% | 0.435 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -33.8 | 167.7 | -26.9 | 33.4 | 0 | 0 | 0 | 114 | G2021 V2047 H2048 | P2019-G2021 PolarHBondContact O-N 3.3Å; P2019-V2047 WeakPolarHBondContact CG-O 3.33Å; P2019-H2048 VanDerWaalsContact CD-CE1 3.44Å; P2019-H2048 WeakPolarHBondContact CD-CE1 3.22Å |
| 2020 | S | 73.6 | Confident | 76.8 | Confident | 68 Ų | 68 | 60.2 Ų | 60.2 | 48% | 0.476 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -1.1 | 173.9 | 64 | 0 | 0 | 0 | 0 | 115.6 | S2018 E2044 | S2018-S2020 PolarHBondContact O-N 2.8Å; S2018-S2020 PolarHBondContact OG-N 2.84Å; S2018-S2020 PolarHBondContact OG-OG 3.16Å; S2020-E2044 WeakPolarHBondContact CB-OE1 3.49Å; S2020-E2044 WeakPolarHBondContact CB-OE2 3.46Å; S2020-E2044 PolarHBondContact N-OE2 2.84Å; S2020-E2044 PolarHBondContact OG-OE1 2.86Å; S2020-E2044 PolarHBondContact OG-OE2 2.74Å |
| 2021 | G | 69.8 | Low | 77 | Confident | 53 Ų | 53 | 60.7 Ų | 60.7 | 55% | 0.546 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 83.6 | 13.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S2018 P2019 S2023 | S2018-G2021 PolarHBondContact O-N 2.78Å; S2018-G2021 PolarHBondContact OG-N 2.89Å; P2019-G2021 PolarHBondContact O-N 3.3Å; G2021-S2023 PolarHBondContact O-N 2.8Å |
| 2022 | V | 70.7 | Confident | 77 | Confident | 75 Ų | 75 | 61.9 Ų | 61.9 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | trans | -85.9 | 108 | 177.7 | -178.7 | 0 | 0 | 0 | 0 | 109.8 | T2017 S2018 Q2024 | T2017-V2022 WeakPolarHBondContact CA-O 3.42Å; S2018-V2022 PolarHBondContact N-O 2.81Å; S2018-V2022 WeakPolarHBondContact OG-CB 3.49Å; S2018-V2022 PolarHBondContact OG-N 3.09Å; S2018-V2022 PolarHBondContact OG-O 3.03Å; V2022-Q2024 HydrophobicContact CG1-CG 4.4Å | ||
| 2023 | S | 75.2 | Confident | 76.3 | Confident | 77 Ų | 77 | 68.4 Ų | 68.4 | 54% | 0.538 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 130.1 | 172.7 | -54.1 | 0 | 0 | 0 | 0 | 112.1 | V2016 T2017 G2021 | V2016-S2023 CarbonylContact O-C 3.43Å; V2016-S2023 VanDerWaalsContact O-CA 3.31Å; V2016-S2023 WeakPolarHBondContact O-CA 3.33Å; T2017-S2023 PolarHBondContact OG1-OG 2.86Å; G2021-S2023 PolarHBondContact O-N 2.8Å |
| 2024 | Q | 78.9 | Confident | 75.6 | Confident | 92 Ų | 92 | 67.8 Ų | 67.8 | 43% | 0.43 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 155.7 | 172.2 | -56.8 | -172.6 | 15.7 | 0 | 0 | 109.5 | N2015 V2016 V2022 | N2015-Q2024 CarbonylContact C-O 3.53Å; N2015-Q2024 WeakPolarHBondContact CA-O 3.41Å; N2015-Q2024 WeakPolarHBondContact CB-O 3.26Å; V2016-Q2024 HydrophobicContact CG1-CB 4.35Å; V2016-Q2024 PolarHBondContact N-O 2.83Å; V2016-Q2024 PolarHBondContact O-N 2.79Å; V2022-Q2024 HydrophobicContact CG1-CG 4.4Å |
| 2025 | R | 79.7 | Confident | 74.9 | Confident | 188 Ų | 188 | 69 Ų | 69 | 71% | 0.709 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 136.1 | 175.2 | -169.4 | 179.7 | -178.8 | -165.7 | -1.1 | 109.6 | A2014 N2015 | A2014-R2025 WeakPolarHBondContact O-CG 3.49Å; N2015-R2025 WeakPolarHBondContact OD1-CA 3.03Å |
| 2026 | C | 84.1 | Confident | 74.6 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 3% | 0.027 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -87.8 | 153.3 | 170.7 | -53.5 | 0 | 0 | 0 | 0 | 110.4 | A2014 N2015 V2016 I2038 K2039 F2040 | A2014-C2026 HydrophobicContact CB-CB 3.91Å; A2014-C2026 PolarHBondContact O-N 3.44Å; N2015-C2026 VanDerWaalsContact C-SG 3.52Å; V2016-C2026 PolarHBondContact N-SG 2.82Å; C2026-I2038 HydrophobicContact CB-CG2 3.53Å; C2026-K2039 WeakPolarHBondContact CA-O 3.48Å; C2026-K2039 WeakPolarHBondContact CB-O 3.46Å; C2026-F2040 HydrophobicContact CB-CB 4.49Å |
| 2027 | D | 79.8 | Confident | 74.4 | Confident | 115 Ų | 115 | 66 Ų | 66 | 62% | 0.615 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 139.5 | 164 | -65.6 | -46.6 | 0 | 0 | 0 | 109.2 | I2038 K2039 | D2027-I2038 CarbonylContact O-C 3.49Å; D2027-I2038 WeakPolarHBondContact O-CA 3.44Å; D2027-K2039 HydrophobicContact CB-CB 4.45Å; D2027-K2039 PolarHBondContact N-O 2.92Å; D2027-K2039 PolarHBondContact O-N 2.85Å |
| 2028 | V | 79.4 | Confident | 74.6 | Confident | 33 Ų | 33 | 64.8 Ų | 64.8 | 20% | 0.2 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 123.2 | 175.6 | -175.8 | 0 | 0 | 0 | 0 | 107.5 | I2009 A2014 T2037 I2038 | I2009-V2028 HydrophobicContact CD1-CG1 4.42Å; A2014-V2028 HydrophobicContact CB-CG2 3.55Å; V2028-T2037 WeakPolarHBondContact CA-O 3.37Å; V2028-I2038 HydrophobicContact CG2-CG1 4.33Å |
| 2029 | L | 76.4 | Confident | 74.8 | Confident | 85 Ų | 85 | 66.3 Ų | 66.3 | 45% | 0.445 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 132.2 | -176.7 | -61.5 | 168.9 | 0 | 0 | 0 | 108.4 | Y2036 T2037 K2039 | L2029-Y2036 CarbonylContact O-C 3.56Å; L2029-Y2036 WeakPolarHBondContact O-CA 3.48Å; L2029-T2037 PolarHBondContact N-O 2.82Å; L2029-T2037 PolarHBondContact O-N 2.84Å; L2029-K2039 HydrophobicContact CD1-CD 3.88Å; L2029-K2039 HydrophobicContact CD1-CG 4.46Å |
| 2030 | A | 71.1 | Confident | 75.6 | Confident | 52 Ų | 52 | 63.8 Ų | 63.8 | 43% | 0.43 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 134.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | I2009 Y2036 | I2009-A2030 HydrophobicContact CD1-CB 3.9Å; A2030-Y2036 HydrophobicContact CB-CD1 4.2Å; A2030-Y2036 HydrophobicContact CB-CE1 3.96Å |
| 2031 | M | 66.1 | Low | 76.2 | Confident | 133 Ų | 133 | 63.6 Ų | 63.6 | 66% | 0.655 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -93.3 | -36.1 | 165.4 | -62.8 | -157.2 | 71.8 | 0 | 0 | 110.4 | N2035 T2037 | M2031-N2035 HydrophobicContact CB-CB 4.34Å; M2031-N2035 PolarHBondContact N-O 2.8Å; M2031-T2037 WeakPolarHBondContact CG-OG1 3.22Å; M2031-T2037 PolarHBondContact SD-OG1 3.49Å; M2031-T2037 VanDerWaalsContact SD-OG1 3.38Å |
| 2032 | D | 68.4 | Low | 76.8 | Confident | 72 Ų | 72 | 61.2 Ų | 61.2 | 39% | 0.385 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -149.7 | -172.8 | 169 | 59.5 | 55.1 | 0 | 0 | 0 | 109.3 | V2034 N2035 | D2032-V2034 PolarHBondContact O-N 2.74Å; D2032-V2034 VanDerWaalsContact O-N 3.1Å; D2032-V2034 WeakPolarHBondContact OD1-CA 3.49Å; D2032-V2034 WeakPolarHBondContact OD1-CG2 3.31Å; D2032-V2034 PolarHBondContact OD1-N 3.01Å; D2032-N2035 PolarHBondContact OD1-N 2.88Å; D2032-N2035 PolarHBondContact OD1-ND2 2.8Å; D2032-N2035 PolarHBondContact OD2-ND2 2.89Å |
| 2033 | D | 60.3 | Low | 77.4 | Confident | 148 Ų | 148 | 63.5 Ų | 63.5 | 79% | 0.791 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -61.1 | -17.2 | -178.7 | -69.4 | -37.6 | 0 | 0 | 0 | 114.4 | Y2036 | D2033-Y2036 PolarHBondContact O-OH 3.29Š|
| 2034 | V | 63.6 | Low | 77.6 | Confident | 40 Ų | 40 | 62.9 Ų | 62.9 | 24% | 0.242 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -123.9 | -17.4 | -176.7 | -55.8 | 0 | 0 | 0 | 0 | 114.5 | K2003 I2004 P2005 D2032 | K2003-V2034 CarbonylContact C-O 3.56Å; K2003-V2034 VanDerWaalsContact CA-O 3.27Å; K2003-V2034 WeakPolarHBondContact CA-O 3.37Å; K2003-V2034 HydrophobicContact CD-CG2 4.42Å; K2003-V2034 HydrophobicContact CG-CB 4.26Å; K2003-V2034 HydrophobicContact CG-CG2 4.11Å; I2004-V2034 PolarHBondContact N-O 2.61Å; P2005-V2034 HydrophobicContact CB-CB 4.42Å; P2005-V2034 HydrophobicContact CB-CG1 3.98Å; P2005-V2034 HydrophobicContact CG-CB 4.34Å; P2005-V2034 HydrophobicContact CG-CG1 4.36Å; D2032-V2034 PolarHBondContact O-N 2.74Å; D2032-V2034 VanDerWaalsContact O-N 3.1Å; D2032-V2034 WeakPolarHBondContact OD1-CA 3.49Å; D2032-V2034 WeakPolarHBondContact OD1-CG2 3.31Å; D2032-V2034 PolarHBondContact OD1-N 3.01Å |
| 2035 | N | 70.2 | Confident | 77.5 | Confident | 26 Ų | 26 | 64.1 Ų | 64.1 | 14% | 0.139 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 130.2 | -179.7 | -71.6 | -64.6 | 0 | 0 | 0 | 113 | M2031 D2032 R2126 | M2031-N2035 HydrophobicContact CB-CB 4.34Å; M2031-N2035 PolarHBondContact N-O 2.8Å; D2032-N2035 PolarHBondContact OD1-N 2.88Å; D2032-N2035 PolarHBondContact OD1-ND2 2.8Å; D2032-N2035 PolarHBondContact OD2-ND2 2.89Å; N2035-R2126 VanDerWaalsContact OD1-CZ 3.28Å; N2035-R2126 PolarHBondContact OD1-NH1 2.94Å; N2035-R2126 PolarHBondContact OD1-NH2 2.92Å |
| 2036 | Y | 77.6 | Confident | 77.4 | Confident | 9 Ų | 9 | 56.3 Ų | 56.3 | 4% | 0.035 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 129.9 | -175.5 | -61.7 | -86.8 | 0 | 0 | 0 | 111.9 | N2001 L2002 I2004 I2007 I2009 L2012 L2029 A2030 D2033 | N2001-Y2036 WeakPolarHBondContact CA-O 3.23Å; L2002-Y2036 PolarHBondContact N-O 2.87Å; L2002-Y2036 PolarHBondContact O-N 2.85Å; I2004-Y2036 HydrophobicContact CB-CD2 4.21Å; I2004-Y2036 HydrophobicContact CB-CE2 4.38Å; I2004-Y2036 HydrophobicContact CD1-CD2 4.43Å; I2004-Y2036 HydrophobicContact CG1-CD2 4.22Å; I2007-Y2036 PolarHBondContact O-OH 2.76Å; I2009-Y2036 HydrophobicContact CB-CE1 4.04Å; I2009-Y2036 HydrophobicContact CD1-CD1 4.33Å; I2009-Y2036 HydrophobicContact CD1-CE1 4.31Å; I2009-Y2036 HydrophobicContact CG1-CD1 4.5Å; I2009-Y2036 HydrophobicContact CG1-CE1 4.26Å; L2012-Y2036 HydrophobicContact CD1-CD1 4Å; L2012-Y2036 HydrophobicContact CD1-CD2 4.39Å; L2012-Y2036 HydrophobicContact CD1-CE1 4.13Å; L2012-Y2036 HydrophobicContact CD1-CG 4.15Å; L2029-Y2036 CarbonylContact O-C 3.56Å; L2029-Y2036 WeakPolarHBondContact O-CA 3.48Å; A2030-Y2036 HydrophobicContact CB-CD1 4.2Å; A2030-Y2036 HydrophobicContact CB-CE1 3.96Å; D2033-Y2036 PolarHBondContact O-OH 3.29Å |
| 2037 | T | 82.2 | Confident | 77.2 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.018 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 129.8 | 173.7 | -45.9 | 0 | 0 | 0 | 0 | 110.7 | E1999 N2001 V2028 L2029 M2031 K2039 | E1999-T2037 HydrophobicContact CB-CG2 4.13Å; N2001-T2037 WeakPolarHBondContact OD1-CB 3.25Å; N2001-T2037 WeakPolarHBondContact OD1-CG2 3.36Å; N2001-T2037 PolarHBondContact OD1-OG1 3.35Å; V2028-T2037 WeakPolarHBondContact CA-O 3.37Å; L2029-T2037 PolarHBondContact N-O 2.82Å; L2029-T2037 PolarHBondContact O-N 2.84Å; M2031-T2037 WeakPolarHBondContact CG-OG1 3.22Å; M2031-T2037 PolarHBondContact SD-OG1 3.49Å; M2031-T2037 VanDerWaalsContact SD-OG1 3.38Å; T2037-K2039 HydrophobicContact CG2-CD 4.34Å; T2037-K2039 VanDerWaalsContact CG2-CE 3.46Å; T2037-K2039 HydrophobicContact CG2-CG 3.87Å |
| 2038 | I | 85.1 | Confident | 77.4 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.015 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 122.3 | 173.9 | -62 | 148.3 | 0 | 0 | 0 | 108.4 | E1999 L2000 L2002 A2014 C2026 D2027 V2028 V2050 V2052 | E1999-I2038 CarbonylContact C-O 3.54Å; E1999-I2038 WeakPolarHBondContact CA-O 3.37Å; L2000-I2038 HydrophobicContact CB-CB 4.35Å; L2000-I2038 HydrophobicContact CD2-CD1 4.06Å; L2000-I2038 HydrophobicContact CG-CD1 4.36Å; L2000-I2038 PolarHBondContact N-O 2.91Å; L2000-I2038 PolarHBondContact O-N 2.96Å; L2002-I2038 HydrophobicContact CD1-CD1 3.54Å; L2002-I2038 HydrophobicContact CG-CD1 4.31Å; A2014-I2038 HydrophobicContact CB-CG1 4.17Å; A2014-I2038 HydrophobicContact CB-CG2 3.76Å; C2026-I2038 HydrophobicContact CB-CG2 3.53Å; D2027-I2038 CarbonylContact O-C 3.49Å; D2027-I2038 WeakPolarHBondContact O-CA 3.44Å; V2028-I2038 HydrophobicContact CG2-CG1 4.33Å; I2038-V2050 HydrophobicContact CG2-CG1 4.03Å; I2038-V2052 HydrophobicContact CD1-CB 4.36Å; I2038-V2052 HydrophobicContact CD1-CG1 3.94Å; I2038-V2052 HydrophobicContact CD1-CG2 3.44Å; I2038-V2052 VanDerWaalsContact CD1-CG2 3.44Å |
| 2039 | K | 85.7 | Confident | 77.6 | Confident | 50 Ų | 50 | 54.2 Ų | 54.2 | 22% | 0.217 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 138.4 | -176 | -54.7 | -166.8 | 176.6 | -150 | 0 | 111.9 | C1998 E1999 C2026 D2027 L2029 T2037 | C1998-K2039 WeakPolarHBondContact O-CA 3.45Å; E1999-K2039 HydrophobicContact CG-CD 4.2Å; E1999-K2039 HydrophobicContact CG-CG 4.03Å; E1999-K2039 VanDerWaalsContact OE1-CD 3.27Å; E1999-K2039 WeakPolarHBondContact OE1-CD 3.41Å; E1999-K2039 WeakPolarHBondContact OE1-CE 3.47Å; E1999-K2039 IonicContact OE1-NZ 3.63Å; E1999-K2039 PolarHBondContact OE1-NZ 2.64Å; E1999-K2039 WeakPolarHBondContact OE2-CE 3.29Å; E1999-K2039 IonicContact OE2-NZ 3.48Å; E1999-K2039 PolarHBondContact OE2-NZ 2.88Å; C2026-K2039 WeakPolarHBondContact CA-O 3.48Å; C2026-K2039 WeakPolarHBondContact CB-O 3.46Å; D2027-K2039 HydrophobicContact CB-CB 4.45Å; D2027-K2039 PolarHBondContact N-O 2.92Å; D2027-K2039 PolarHBondContact O-N 2.85Å; L2029-K2039 HydrophobicContact CD1-CD 3.88Å; L2029-K2039 HydrophobicContact CD1-CG 4.46Å; T2037-K2039 HydrophobicContact CG2-CD 4.34Å; T2037-K2039 VanDerWaalsContact CG2-CE 3.46Å; T2037-K2039 HydrophobicContact CG2-CG 3.87Å |
| 2040 | F | 89.3 | Confident | 78 | Confident | 14 Ų | 14 | 50.2 Ų | 50.2 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 166.8 | 175 | 68.5 | -86.1 | 0 | 0 | 0 | 112.1 | C1998 V2016 C2026 P2042 V2050 F2066 | C1998-F2040 HydrophobicContact CB-CD1 3.93Å; C1998-F2040 HydrophobicContact CB-CD2 3.94Å; C1998-F2040 HydrophobicContact CB-CE1 3.59Å; C1998-F2040 HydrophobicContact CB-CE2 3.6Å; C1998-F2040 HydrophobicContact CB-CG 4.11Å; C1998-F2040 HydrophobicContact CB-CZ 3.42Å; C1998-F2040 VanDerWaalsContact CB-CZ 3.42Å; C1998-F2040 WeakPolarHBondContact CB-O 3.07Å; C1998-F2040 PolarHBondContact N-O 2.86Å; C1998-F2040 PolarHBondContact O-N 2.78Å; V2016-F2040 HydrophobicContact CB-CB 4.46Å; V2016-F2040 HydrophobicContact CB-CD1 4.49Å; V2016-F2040 HydrophobicContact CB-CD2 4.15Å; V2016-F2040 HydrophobicContact CB-CG 4.13Å; V2016-F2040 HydrophobicContact CG1-CB 3.85Å; V2016-F2040 HydrophobicContact CG1-CD2 3.9Å; V2016-F2040 HydrophobicContact CG1-CG 3.93Å; V2016-F2040 HydrophobicContact CG2-CD2 3.88Å; V2016-F2040 HydrophobicContact CG2-CE2 3.81Å; V2016-F2040 HydrophobicContact CG2-CG 4.29Å; V2016-F2040 HydrophobicContact CG2-CZ 4.17Å; C2026-F2040 HydrophobicContact CB-CB 4.49Å; F2040-P2042 HydrophobicContact CE2-CB 4.31Å; F2040-V2050 HydrophobicContact CD1-CG2 4.41Å; F2040-V2050 HydrophobicContact CE1-CG2 3.66Å; F2040-V2050 HydrophobicContact CZ-CG2 3.99Å; F2040-F2066 HydrophobicContact CE1-CD2 4.23Å; F2040-F2066 HydrophobicContact CE1-CG 4.32Å; F2040-F2066 HydrophobicContact CZ-CB 4.1Å; F2040-F2066 AromaticContact CZ-CD1 3.84Å; F2040-F2066 HydrophobicContact CZ-CD1 3.84Å; F2040-F2066 HydrophobicContact CZ-CD2 4.09Å; F2040-F2066 HydrophobicContact CZ-CE1 4.29Å; F2040-F2066 HydrophobicContact CZ-CE2 4.49Å; F2040-F2066 AromaticContact CZ-CG 3.74Å; F2040-F2066 HydrophobicContact CZ-CG 3.74Å |
| 2041 | V | 85.9 | Confident | 78.4 | Confident | 64 Ų | 64 | 48.4 Ų | 48.4 | 39% | 0.388 | 26% | 0.258 | S | S | . | . | trans | -126.2 | 111 | 176 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | Q2043 | V2041-Q2043 PolarHBondContact O-NE2 3.19Š| ||
| 2042 | P | 83.4 | Confident | 79 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.019 | 23% | 0.228 | C | C | . | . | trans | -73.7 | 134 | -177.1 | 31.5 | -31.8 | 0 | 0 | 0 | 110.9 | V1994 G1995 S1996 C1998 F2040 H2048 V2068 | V1994-P2042 WeakPolarHBondContact CG1-O 3.25Å; G1995-P2042 PolarHBondContact N-O 3.07Å; S1996-P2042 WeakPolarHBondContact O-CD 3.44Å; C1998-P2042 VanDerWaalsContact SG-CD 3.56Å; F2040-P2042 HydrophobicContact CE2-CB 4.31Å; P2042-H2048 WeakPolarHBondContact CB-NE2 3.48Å; P2042-V2068 HydrophobicContact CB-CB 4.4Å; P2042-V2068 HydrophobicContact CB-CG1 4.11Å; P2042-V2068 HydrophobicContact CB-CG2 3.67Å; P2042-V2068 HydrophobicContact CG-CB 4.37Å; P2042-V2068 HydrophobicContact CG-CG1 3.76Å; P2042-V2068 HydrophobicContact CG-CG2 3.68Å | ||
| 2043 | Q | 82.5 | Confident | 79.4 | Confident | 122 Ų | 122 | 42.2 Ų | 42.2 | 57% | 0.57 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -96.9 | -5.6 | -178.7 | -55.2 | -57.2 | -55.2 | 0 | 0 | 112.9 | V1994 V2041 | V1994-Q2043 VanDerWaalsContact CG1-C 3.4Å; V1994-Q2043 WeakPolarHBondContact CG1-O 3.42Å; V2041-Q2043 PolarHBondContact O-NE2 3.19Å |
| 2044 | E | 79.3 | Confident | 80 | Confident | 65 Ų | 65 | 37.5 Ų | 37.5 | 30% | 0.304 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -135.4 | 165.3 | -176.8 | -68.9 | 174.5 | -174.3 | 0 | 0 | 110.3 | S2018 S2020 H2048 | S2018-E2044 WeakPolarHBondContact CB-OE2 3.47Å; S2020-E2044 WeakPolarHBondContact CB-OE1 3.49Å; S2020-E2044 WeakPolarHBondContact CB-OE2 3.46Å; S2020-E2044 PolarHBondContact N-OE2 2.84Å; S2020-E2044 PolarHBondContact OG-OE1 2.86Å; S2020-E2044 PolarHBondContact OG-OE2 2.74Å; E2044-H2048 PolarHBondContact O-CE1 2.77Å; E2044-H2048 VanDerWaalsContact O-CE1 3.26Å |
| 2045 | M | 78 | Confident | 79.9 | Confident | 117 Ų | 117 | 44 Ų | 44 | 58% | 0.576 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -99.6 | 137.5 | 175.6 | -159.9 | 175.8 | -174.6 | 0 | 0 | 109.6 | V1994 V2068 | V1994-M2045 HydrophobicContact CG2-CB 3.73Å; V1994-M2045 HydrophobicContact CG2-CG 4.24Å; M2045-V2068 WeakPolarHBondContact CG-O 3.5Å |
| 2046 | G | 77.6 | Confident | 79.3 | Confident | 24 Ų | 24 | 44.9 Ų | 44.9 | 25% | 0.247 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 122.4 | -165.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | H2048 V2068 | G2046-H2048 PolarHBondContact O-N 2.91Å; G2046-H2048 PolarHBondContact O-ND1 2.74Å; G2046-V2068 PolarHBondContact N-O 2.79Å; G2046-V2068 PolarHBondContact O-N 3.13Å |
| 2047 | V | 80.4 | Confident | 78 | Confident | 68 Ų | 68 | 46.4 Ų | 46.4 | 41% | 0.412 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 116.5 | -171.8 | -174.1 | 0 | 0 | 0 | 0 | 111.4 | P2019 Q2065 | P2019-V2047 WeakPolarHBondContact CG-O 3.33Å; V2047-Q2065 HydrophobicContact CG1-CG 3.61Å |
| 2048 | H | 84 | Confident | 76.9 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.019 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 150 | 172.6 | -69 | 62.8 | 0 | 0 | 0 | 110.8 | V2016 T2017 P2019 P2042 E2044 G2046 F2066 V2068 | V2016-H2048 HydrophobicContact CG2-CB 3.82Å; T2017-H2048 WeakPolarHBondContact O-CA 3.48Å; P2019-H2048 VanDerWaalsContact CD-CE1 3.44Å; P2019-H2048 WeakPolarHBondContact CD-CE1 3.22Å; P2042-H2048 WeakPolarHBondContact CB-NE2 3.48Å; E2044-H2048 PolarHBondContact O-CE1 2.77Å; E2044-H2048 VanDerWaalsContact O-CE1 3.26Å; G2046-H2048 PolarHBondContact O-N 2.91Å; G2046-H2048 PolarHBondContact O-ND1 2.74Å; H2048-F2066 WeakPolarHBondContact CB-O 3.34Å; H2048-F2066 PolarHBondContact N-O 2.79Å; H2048-F2066 PolarHBondContact O-N 2.79Å; H2048-V2068 WeakPolarHBondContact ND1-CG2 3.35Å |
| 2049 | T | 82.2 | Confident | 76 | Confident | 37 Ų | 37 | 49 Ų | 49 | 23% | 0.227 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 106.7 | -174.8 | -54.3 | 0 | 0 | 0 | 0 | 110.7 | V2016 T2017 S2051 P2063 | V2016-T2049 CarbonylContact C-O 3.55Å; V2016-T2049 WeakPolarHBondContact CA-O 3.47Å; T2017-T2049 PolarHBondContact N-O 3.13Å; T2017-T2049 PolarHBondContact O-N 3.01Å; T2049-S2051 PolarHBondContact O-N 2.95Å; T2049-P2063 HydrophobicContact CG2-CB 3.62Å; T2049-P2063 HydrophobicContact CG2-CG 4.2Å |
| 2050 | V | 85 | Confident | 74.7 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 97.3 | -176.1 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | L2000 N2015 V2016 I2038 F2040 V2052 S2062 P2063 F2064 F2066 | L2000-V2050 HydrophobicContact CD2-CB 4.39Å; L2000-V2050 HydrophobicContact CD2-CG1 4.04Å; N2015-V2050 CarbonylContact O-C 3.55Å; V2016-V2050 HydrophobicContact CB-CG2 4.47Å; V2016-V2050 HydrophobicContact CG2-CG2 4.13Å; I2038-V2050 HydrophobicContact CG2-CG1 4.03Å; F2040-V2050 HydrophobicContact CD1-CG2 4.41Å; F2040-V2050 HydrophobicContact CE1-CG2 3.66Å; F2040-V2050 HydrophobicContact CZ-CG2 3.99Å; V2050-V2052 HydrophobicContact CG1-CG2 4.05Å; V2050-S2062 PolarHBondContact O-OG 3.09Å; V2050-P2063 WeakPolarHBondContact O-CA 3.47Å; V2050-F2064 HydrophobicContact CB-CB 4.42Å; V2050-F2064 PolarHBondContact N-O 3.03Å; V2050-F2064 PolarHBondContact O-N 2.93Å; V2050-F2066 HydrophobicContact CG2-CB 4.15Å |
| 2051 | S | 80.3 | Confident | 73.2 | Confident | 15 Ų | 15 | 50.1 Ų | 50.1 | 11% | 0.105 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 122.9 | 174.9 | -65.1 | 0 | 0 | 0 | 0 | 110.6 | A2014 N2015 T2049 | A2014-S2051 CarbonylContact C-O 3.58Å; A2014-S2051 WeakPolarHBondContact CA-O 3.36Å; N2015-S2051 PolarHBondContact N-O 3.16Å; N2015-S2051 PolarHBondContact O-N 2.87Å; T2049-S2051 PolarHBondContact O-N 2.95Å |
| 2052 | V | 79.1 | Confident | 72.2 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 124.9 | -177.6 | -170.8 | 0 | 0 | 0 | 0 | 107.8 | L2002 L2012 T2013 A2014 I2038 V2050 H2058 I2059 S2062 F2064 | L2002-V2052 HydrophobicContact CD1-CG1 4.38Å; L2012-V2052 HydrophobicContact CD2-CG1 3.79Å; T2013-V2052 CarbonylContact O-C 3.57Å; T2013-V2052 WeakPolarHBondContact O-CA 3.44Å; A2014-V2052 HydrophobicContact CB-CG2 4.27Å; I2038-V2052 HydrophobicContact CD1-CB 4.36Å; I2038-V2052 HydrophobicContact CD1-CG1 3.94Å; I2038-V2052 HydrophobicContact CD1-CG2 3.44Å; I2038-V2052 VanDerWaalsContact CD1-CG2 3.44Å; V2050-V2052 HydrophobicContact CG1-CG2 4.05Å; V2052-H2058 WeakPolarHBondContact O-CA 3.35Å; V2052-I2059 HydrophobicContact CB-CD1 3.88Å; V2052-I2059 HydrophobicContact CB-CG1 4.03Å; V2052-I2059 HydrophobicContact CG1-CD1 3.54Å; V2052-I2059 HydrophobicContact CG1-CG1 4.09Å; V2052-I2059 PolarHBondContact O-N 2.72Å; V2052-I2059 VanDerWaalsContact O-N 3.11Å; V2052-S2062 PolarHBondContact N-OG 3.46Å; V2052-S2062 WeakPolarHBondContact O-CB 3.13Å; V2052-S2062 PolarHBondContact O-OG 2.73Å; V2052-F2064 HydrophobicContact CB-CE2 4.2Å; V2052-F2064 HydrophobicContact CG2-CD2 3.87Å; V2052-F2064 HydrophobicContact CG2-CE2 3.82Å |
| 2053 | R | 75.9 | Confident | 71.5 | Confident | 73 Ų | 73 | 49.3 Ų | 49.3 | 28% | 0.275 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 127.4 | -167.5 | -66.7 | 174.5 | 174.3 | -160.3 | 2.6 | 111.6 | T2013 G2056 S2057 H2058 | T2013-R2053 PolarHBondContact N-O 3.01Å; T2013-R2053 PolarHBondContact O-N 3.36Å; T2013-R2053 PolarHBondContact OG1-O 3.09Å; T2013-R2053 VanDerWaalsContact OG1-O 3.1Å; R2053-G2056 WeakPolarHBondContact CD-O 3.47Å; R2053-S2057 CarbonylContact C-O 3.46Å; R2053-S2057 WeakPolarHBondContact CA-O 3.46Å; R2053-S2057 WeakPolarHBondContact CB-O 3.22Å; R2053-H2058 PolarHBondContact NE-CD2 3.38Å; R2053-H2058 VanDerWaalsContact NE-CD2 3.27Å; R2053-H2058 PolarHBondContact NE-NE2 3.23Å; R2053-H2058 PolarHBondContact NH2-NE2 3.47Å |
| 2054 | H | 72 | Confident | 71.2 | Confident | 49 Ų | 49 | 43.6 Ų | 43.6 | 23% | 0.227 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 125.6 | 170.9 | 174.9 | -125.8 | 0 | 0 | 0 | 109.2 | I2007 D2011 G2056 S2057 I2059 | I2007-H2054 HydrophobicContact CD1-CB 4.27Å; I2007-H2054 VanDerWaalsContact CG2-CD2 3.48Å; I2007-H2054 WeakPolarHBondContact CG2-CD2 3.47Å; D2011-H2054 VanDerWaalsContact CB-CD2 3.46Å; D2011-H2054 WeakPolarHBondContact CB-CD2 3.33Å; D2011-H2054 CarbonylContact O-C 3.55Å; D2011-H2054 WeakPolarHBondContact O-CA 3.39Å; H2054-G2056 PolarHBondContact O-N 3.06Å; H2054-S2057 PolarHBondContact N-O 3.28Å; H2054-S2057 PolarHBondContact O-N 2.64Å; H2054-I2059 HydrophobicContact CB-CG2 3.76Å |
| 2055 | R | 62.5 | Low | 71.3 | Confident | 175 Ų | 175 | 43.6 Ų | 43.6 | 66% | 0.66 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 26.3 | -174.4 | -62.6 | -171.9 | 174.2 | 154.9 | 9.2 | 114.6 | D2011 | D2011-R2055 HydrophobicContact CB-CG 3.75Å; D2011-R2055 PolarHBondContact O-N 2.86Å; D2011-R2055 WeakPolarHBondContact OD1-CG 3.09Å; D2011-R2055 IonicContact OD1-NE 2.68Å; D2011-R2055 PolarHBondContact OD1-NE 2.87Å; D2011-R2055 IonicContact OD2-CZ 3.71Å; D2011-R2055 VanDerWaalsContact OD2-CZ 3.22Å; D2011-R2055 IonicContact OD2-NE 3.72Å; D2011-R2055 PolarHBondContact OD2-NE 2.95Å; D2011-R2055 IonicContact OD2-NH2 2.71Å; D2011-R2055 PolarHBondContact OD2-NH2 3.42Å |
| 2056 | G | 57.9 | Low | 71.5 | Confident | 45 Ų | 45 | 38 Ų | 38 | 46% | 0.464 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.8 | -15.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | R2053 H2054 | R2053-G2056 WeakPolarHBondContact CD-O 3.47Å; H2054-G2056 PolarHBondContact O-N 3.06Å |
| 2057 | S | 49.5 | Very low | 71.8 | Confident | 42 Ų | 42 | 37.8 Ų | 37.8 | 29% | 0.294 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 143.8 | 177.2 | -61.7 | 0 | 0 | 0 | 0 | 111 | R2053 H2054 I2059 | R2053-S2057 CarbonylContact C-O 3.46Å; R2053-S2057 WeakPolarHBondContact CA-O 3.46Å; R2053-S2057 WeakPolarHBondContact CB-O 3.22Å; H2054-S2057 PolarHBondContact N-O 3.28Å; H2054-S2057 PolarHBondContact O-N 2.64Å; S2057-I2059 PolarHBondContact O-N 3.25Å |
| 2058 | H | 60.1 | Low | 71.9 | Confident | 39 Ų | 39 | 34.6 Ų | 34.6 | 18% | 0.181 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 137.9 | 177.3 | -82.7 | -98.1 | 0 | 0 | 0 | 111.4 | V2052 R2053 S2062 | V2052-H2058 WeakPolarHBondContact O-CA 3.35Å; R2053-H2058 PolarHBondContact NE-CD2 3.38Å; R2053-H2058 VanDerWaalsContact NE-CD2 3.27Å; R2053-H2058 PolarHBondContact NE-NE2 3.23Å; R2053-H2058 PolarHBondContact NH2-NE2 3.47Å; H2058-S2062 PolarHBondContact ND1-OG 2.87Å |
| 2059 | I | 66.4 | Low | 71.6 | Confident | 22 Ų | 22 | 34.6 Ų | 34.6 | 11% | 0.113 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -72.1 | 156.2 | 167.9 | 64.7 | 174.6 | 0 | 0 | 0 | 109.8 | L2002 I2004 V2052 H2054 S2057 G2061 S2062 F2064 | L2002-I2059 HydrophobicContact CD1-CD1 3.74Å; I2004-I2059 HydrophobicContact CD1-CD1 3.64Å; V2052-I2059 HydrophobicContact CB-CD1 3.88Å; V2052-I2059 HydrophobicContact CB-CG1 4.03Å; V2052-I2059 HydrophobicContact CG1-CD1 3.54Å; V2052-I2059 HydrophobicContact CG1-CG1 4.09Å; V2052-I2059 PolarHBondContact O-N 2.72Å; V2052-I2059 VanDerWaalsContact O-N 3.11Å; H2054-I2059 HydrophobicContact CB-CG2 3.76Å; S2057-I2059 PolarHBondContact O-N 3.25Å; I2059-G2061 PolarHBondContact O-N 3.45Å; I2059-S2062 WeakPolarHBondContact O-CB 3.34Å; I2059-S2062 PolarHBondContact O-N 3.3Å; I2059-F2064 HydrophobicContact CD1-CE2 4.14Å; I2059-F2064 HydrophobicContact CD1-CZ 4.28Å; I2059-F2064 HydrophobicContact CG1-CE2 4.38Å |
| 2060 | S | 58.3 | Low | 71.2 | Confident | 63 Ų | 63 | 36.8 Ų | 36.8 | 44% | 0.441 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 139.5 | 172.6 | -54.6 | 0 | 0 | 0 | 0 | 110.9 | S2062 T2082 | S2060-S2062 PolarHBondContact O-N 2.89Å; S2060-T2082 WeakPolarHBondContact O-CG2 3.3Å |
| 2061 | G | 56.8 | Low | 70.6 | Confident | 24 Ų | 24 | 38.4 Ų | 38.4 | 25% | 0.247 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | -11.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | I2059 F2064 | I2059-G2061 PolarHBondContact O-N 3.45Å; G2061-F2064 WeakPolarHBondContact O-CD1 3.31Å; G2061-F2064 VanDerWaalsContact O-CE1 3.29Å; G2061-F2064 WeakPolarHBondContact O-CE1 3.37Å |
| 2062 | S | 65.5 | Low | 69.9 | Low | 17 Ų | 17 | 43.9 Ų | 43.9 | 12% | 0.119 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -95.8 | 143.8 | 177.2 | -163.6 | 0 | 0 | 0 | 0 | 112.2 | V2050 V2052 H2058 I2059 S2060 | V2050-S2062 PolarHBondContact O-OG 3.09Å; V2052-S2062 PolarHBondContact N-OG 3.46Å; V2052-S2062 WeakPolarHBondContact O-CB 3.13Å; V2052-S2062 PolarHBondContact O-OG 2.73Å; H2058-S2062 PolarHBondContact ND1-OG 2.87Å; I2059-S2062 WeakPolarHBondContact O-CB 3.34Å; I2059-S2062 PolarHBondContact O-N 3.3Å; S2060-S2062 PolarHBondContact O-N 2.89Å |
| 2063 | P | 68.1 | Low | 69.2 | Low | 32 Ų | 32 | 47.9 Ų | 47.9 | 21% | 0.208 | 27% | 0.267 | C | S | . | . | S | Bend | cis | -72.5 | 134 | 1.8 | 29.8 | -34.8 | 0 | 0 | 0 | 114.1 | T2049 V2050 | T2049-P2063 HydrophobicContact CG2-CB 3.62Å; T2049-P2063 HydrophobicContact CG2-CG 4.2Å; V2050-P2063 WeakPolarHBondContact O-CA 3.47Å |
| 2064 | F | 75.9 | Confident | 68.9 | Low | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.009 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 144.9 | 178.3 | -56.8 | -87.3 | 0 | 0 | 0 | 111.1 | L2000 L2002 V2050 V2052 I2059 G2061 T2082 Y2100 | L2000-F2064 HydrophobicContact CD2-CB 4.11Å; L2000-F2064 HydrophobicContact CD2-CD2 3.78Å; L2000-F2064 HydrophobicContact CD2-CE2 4.4Å; L2000-F2064 HydrophobicContact CD2-CG 3.97Å; L2002-F2064 HydrophobicContact CD1-CE2 3.86Å; L2002-F2064 HydrophobicContact CD1-CZ 4.03Å; L2002-F2064 HydrophobicContact CD2-CE1 4.13Å; L2002-F2064 HydrophobicContact CD2-CE2 4.27Å; L2002-F2064 HydrophobicContact CD2-CZ 3.76Å; V2050-F2064 HydrophobicContact CB-CB 4.42Å; V2050-F2064 PolarHBondContact N-O 3.03Å; V2050-F2064 PolarHBondContact O-N 2.93Å; V2052-F2064 HydrophobicContact CB-CE2 4.2Å; V2052-F2064 HydrophobicContact CG2-CD2 3.87Å; V2052-F2064 HydrophobicContact CG2-CE2 3.82Å; I2059-F2064 HydrophobicContact CD1-CE2 4.14Å; I2059-F2064 HydrophobicContact CD1-CZ 4.28Å; I2059-F2064 HydrophobicContact CG1-CE2 4.38Å; G2061-F2064 WeakPolarHBondContact O-CD1 3.31Å; G2061-F2064 VanDerWaalsContact O-CE1 3.29Å; G2061-F2064 WeakPolarHBondContact O-CE1 3.37Å; F2064-T2082 HydrophobicContact CE1-CG2 4.37Å; F2064-Y2100 HydrophobicContact CD1-CD1 4.44Å |
| 2065 | Q | 80.9 | Confident | 69 | Low | 65 Ų | 65 | 44.8 Ų | 44.8 | 30% | 0.304 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 139.7 | 169.7 | -177.1 | 169.2 | -56.2 | 0 | 0 | 111.4 | V2047 T2067 Y2100 E2103 | V2047-Q2065 HydrophobicContact CG1-CG 3.61Å; Q2065-T2067 PolarHBondContact NE2-OG1 2.76Å; Q2065-Y2100 WeakPolarHBondContact O-CE1 3.21Å; Q2065-Y2100 PolarHBondContact O-OH 2.84Å; Q2065-E2103 HydrophobicContact CB-CG 4.16Å; Q2065-E2103 HydrophobicContact CG-CG 4.11Å; Q2065-E2103 PolarHBondContact NE2-OE2 2.81Å |
| 2066 | F | 83.9 | Confident | 69.6 | Low | 1 Ų | 1 | 36.7 Ų | 36.7 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 108.8 | 172.1 | -161.8 | -70.3 | 0 | 0 | 0 | 110.2 | T1992 C1998 F2040 H2048 V2050 V2068 E2103 | T1992-F2066 HydrophobicContact CG2-CE1 4.15Å; C1998-F2066 HydrophobicContact CB-CE1 3.86Å; C1998-F2066 HydrophobicContact CB-CE2 4.24Å; C1998-F2066 HydrophobicContact CB-CZ 3.66Å; C1998-F2066 WeakPolarHBondContact SG-CE1 3.28Å; F2040-F2066 HydrophobicContact CE1-CD2 4.23Å; F2040-F2066 HydrophobicContact CE1-CG 4.32Å; F2040-F2066 HydrophobicContact CZ-CB 4.1Å; F2040-F2066 AromaticContact CZ-CD1 3.84Å; F2040-F2066 HydrophobicContact CZ-CD1 3.84Å; F2040-F2066 HydrophobicContact CZ-CD2 4.09Å; F2040-F2066 HydrophobicContact CZ-CE1 4.29Å; F2040-F2066 HydrophobicContact CZ-CE2 4.49Å; F2040-F2066 AromaticContact CZ-CG 3.74Å; F2040-F2066 HydrophobicContact CZ-CG 3.74Å; H2048-F2066 WeakPolarHBondContact CB-O 3.34Å; H2048-F2066 PolarHBondContact N-O 2.79Å; H2048-F2066 PolarHBondContact O-N 2.79Å; V2050-F2066 HydrophobicContact CG2-CB 4.15Å; F2066-V2068 HydrophobicContact CD1-CG2 4.19Å; F2066-E2103 WeakPolarHBondContact CA-OE1 3.42Å |
| 2067 | T | 83.4 | Confident | 70.3 | Confident | 19 Ų | 19 | 38.3 Ų | 38.3 | 12% | 0.117 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 124.9 | -178 | -65.9 | 0 | 0 | 0 | 0 | 111.8 | Q2065 I2071 E2103 | Q2065-T2067 PolarHBondContact NE2-OG1 2.76Å; T2067-I2071 HydrophobicContact CG2-CG1 4.41Å; T2067-E2103 WeakPolarHBondContact CB-OE2 3.38Å; T2067-E2103 PolarHBondContact N-OE1 3.11Å; T2067-E2103 PolarHBondContact OG1-OE2 2.89Å |
| 2068 | V | 81.8 | Confident | 71.6 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 84.1 | 176.8 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | T1992 V1994 P2042 M2045 G2046 H2048 F2066 | T1992-V2068 CarbonylContact O-C 3.53Å; T1992-V2068 VanDerWaalsContact O-C 3.27Å; T1992-V2068 WeakPolarHBondContact O-CA 3.44Å; V1994-V2068 HydrophobicContact CG2-CG1 4.38Å; P2042-V2068 HydrophobicContact CB-CB 4.4Å; P2042-V2068 HydrophobicContact CB-CG1 4.11Å; P2042-V2068 HydrophobicContact CB-CG2 3.67Å; P2042-V2068 HydrophobicContact CG-CB 4.37Å; P2042-V2068 HydrophobicContact CG-CG1 3.76Å; P2042-V2068 HydrophobicContact CG-CG2 3.68Å; M2045-V2068 WeakPolarHBondContact CG-O 3.5Å; G2046-V2068 PolarHBondContact N-O 2.79Å; G2046-V2068 PolarHBondContact O-N 3.13Å; H2048-V2068 WeakPolarHBondContact ND1-CG2 3.35Å; F2066-V2068 HydrophobicContact CD1-CG2 4.19Å |
| 2069 | G | 79 | Confident | 72.6 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 161.4 | -166.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111 | T1992 I2071 | T1992-G2069 PolarHBondContact O-N 2.84Å; G2069-I2071 PolarHBondContact O-N 2.79Å |
| 2070 | P | 72.3 | Confident | 73.2 | Confident | 84 Ų | 84 | 37.3 Ų | 37.3 | 55% | 0.545 | 23% | 0.227 | S | C | . | . | trans | -62.6 | 127.5 | 167 | -18.7 | 32.2 | 0 | 0 | 0 | 110.6 | T2072 | P2070-T2072 HydrophobicContact CB-CG2 4.45Å; P2070-T2072 PolarHBondContact O-N 3.09Å | ||
| 2071 | I | 72.8 | Confident | 74.2 | Confident | 33 Ų | 33 | 35 Ų | 35 | 17% | 0.169 | 21% | 0.212 | C | C | . | . | trans | -81.7 | 107.6 | 175.2 | -56.3 | 176.4 | 0 | 0 | 0 | 107.9 | T2067 G2069 | T2067-I2071 HydrophobicContact CG2-CG1 4.41Å; G2069-I2071 PolarHBondContact O-N 2.79Å | ||
| 2072 | T | 65.6 | Low | 74.9 | Confident | 130 Ų | 130 | 34.5 Ų | 34.5 | 80% | 0.798 | 21% | 0.205 | S | C | * | . | trans | -102.7 | -6.2 | -172.5 | 55.8 | 0 | 0 | 0 | 0 | 115.1 | P2070 | P2070-T2072 HydrophobicContact CB-CG2 4.45Å; P2070-T2072 PolarHBondContact O-N 3.09Å | ||
| 2073 | E | 64.5 | Low | 75.1 | Confident | 86 Ų | 86 | 34.4 Ų | 34.4 | 40% | 0.402 | 21% | 0.206 | S | C | . | . | trans | -142.2 | 126.9 | -176.6 | -67 | -172.2 | 157.4 | 0 | 0 | 111 | K2078 K2353 | E2073-K2078 VanDerWaalsContact CB-NZ 3.31Å; E2073-K2078 PolarHBondContact O-NZ 3.09Å; E2073-K2078 IonicContact OE2-NZ 2.69Å; E2073-K2353 IonicContact OE1-NZ 2.82Å; E2073-K2353 PolarHBondContact OE1-NZ 2.74Å; E2073-K2353 IonicContact OE2-NZ 3.24Å | ||
| 2074 | G | 69.8 | Low | 75.2 | Confident | 38 Ų | 38 | 38.2 Ų | 38.2 | 39% | 0.392 | 22% | 0.221 | S | C | . | . | trans | -127.3 | -166.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | A2104 | G2074-A2104 CarbonylContact C-O 3.53Å; G2074-A2104 WeakPolarHBondContact CA-O 3.29Å | ||
| 2075 | G | 73.2 | Confident | 75.2 | Confident | 19 Ų | 19 | 38.2 Ų | 38.2 | 20% | 0.196 | 22% | 0.221 | C | C | . | . | trans | 123 | 165.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | H2077 K2078 A2104 | G2075-H2077 PolarHBondContact O-N 3.38Å; G2075-H2077 VanDerWaalsContact O-N 3.13Å; G2075-K2078 PolarHBondContact O-N 3.41Å; G2075-A2104 PolarHBondContact N-O 2.8Å; G2075-A2104 WeakPolarHBondContact O-CB 3.43Å | ||
| 2076 | A | 75.1 | Confident | 75 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 5% | 0.05 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -56.4 | -32.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | K2078 V2079 F2149 D2152 P2155 | A2076-K2078 PolarHBondContact O-N 2.99Å; A2076-K2078 VanDerWaalsContact O-N 3.12Å; A2076-V2079 WeakPolarHBondContact O-CB 3.19Å; A2076-V2079 PolarHBondContact O-N 2.89Å; A2076-F2149 HydrophobicContact CB-CB 4.09Å; A2076-F2149 HydrophobicContact CB-CD1 4.47Å; A2076-D2152 HydrophobicContact CB-CB 3.64Å; A2076-P2155 WeakPolarHBondContact O-CD 3.33Å |
| 2077 | H | 74.3 | Confident | 74.5 | Confident | 79 Ų | 79 | 40.3 Ų | 40.3 | 37% | 0.366 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -62.8 | -15.3 | 177.4 | 69.2 | -88.7 | 0 | 0 | 0 | 114.3 | G2075 | G2075-H2077 PolarHBondContact O-N 3.38Å; G2075-H2077 VanDerWaalsContact O-N 3.13Å |
| 2078 | K | 76.7 | Confident | 74 | Confident | 28 Ų | 28 | 42.8 Ų | 42.8 | 12% | 0.122 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -96.6 | -5.8 | 173.8 | -59.3 | -172.4 | 179.8 | -178.2 | 0 | 113.2 | E2073 G2075 A2076 H2080 E2103 A2104 | E2073-K2078 VanDerWaalsContact CB-NZ 3.31Å; E2073-K2078 PolarHBondContact O-NZ 3.09Å; E2073-K2078 IonicContact OE2-NZ 2.69Å; G2075-K2078 PolarHBondContact O-N 3.41Å; A2076-K2078 PolarHBondContact O-N 2.99Å; A2076-K2078 VanDerWaalsContact O-N 3.12Å; K2078-H2080 PolarHBondContact O-CE1 3.43Å; K2078-H2080 PolarHBondContact O-ND1 3.13Å; K2078-E2103 HydrophobicContact CB-CB 4.09Å; K2078-E2103 HydrophobicContact CD-CB 4.22Å; K2078-E2103 WeakPolarHBondContact CD-O 3.26Å; K2078-A2104 HydrophobicContact CB-CB 4.17Å |
| 2079 | V | 80.2 | Confident | 73.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -81.9 | 129.2 | 173.8 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | A2076 I2099 Y2100 T2101 A2104 F2149 I2154 P2155 | A2076-V2079 WeakPolarHBondContact O-CB 3.19Å; A2076-V2079 PolarHBondContact O-N 2.89Å; V2079-I2099 HydrophobicContact CG1-CG2 3.37Å; V2079-Y2100 WeakPolarHBondContact CA-O 3.37Å; V2079-T2101 HydrophobicContact CG1-CG2 4.03Å; V2079-T2101 HydrophobicContact CG2-CG2 4.37Å; V2079-A2104 HydrophobicContact CG2-CB 3.42Å; V2079-A2104 VanDerWaalsContact CG2-CB 3.42Å; V2079-F2149 HydrophobicContact CG2-CB 3.9Å; V2079-F2149 HydrophobicContact CG2-CD1 4.04Å; V2079-F2149 HydrophobicContact CG2-CD2 3.99Å; V2079-F2149 HydrophobicContact CG2-CG 3.7Å; V2079-I2154 HydrophobicContact CB-CB 4.24Å; V2079-I2154 HydrophobicContact CB-CG2 3.71Å; V2079-I2154 HydrophobicContact CG1-CB 4.4Å; V2079-I2154 HydrophobicContact CG1-CD1 4.17Å; V2079-I2154 HydrophobicContact CG1-CG2 3.78Å; V2079-I2154 HydrophobicContact CG2-CG2 4.41Å; V2079-P2155 WeakPolarHBondContact O-CD 3.49Å | ||
| 2080 | H | 78.4 | Confident | 73.1 | Confident | 53 Ų | 53 | 46.4 Ų | 46.4 | 25% | 0.245 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 131.6 | -178.3 | -65.9 | 68 | 0 | 0 | 0 | 109.7 | K2078 I2099 Y2100 | K2078-H2080 PolarHBondContact O-CE1 3.43Å; K2078-H2080 PolarHBondContact O-ND1 3.13Å; H2080-I2099 CarbonylContact O-C 3.46Å; H2080-I2099 WeakPolarHBondContact O-CA 3.3Å; H2080-Y2100 PolarHBondContact N-O 2.94Å; H2080-Y2100 PolarHBondContact O-N 3.05Å |
| 2081 | A | 79.2 | Confident | 73.1 | Confident | 15 Ų | 15 | 42.5 Ų | 42.5 | 12% | 0.124 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 139 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | L2086 S2098 I2099 I2147 I2154 F2159 | A2081-L2086 HydrophobicContact CB-CD1 3.61Å; A2081-S2098 CarbonylContact C-O 3.54Å; A2081-S2098 VanDerWaalsContact CA-O 3.31Å; A2081-S2098 WeakPolarHBondContact CA-O 3.36Å; A2081-I2099 HydrophobicContact CB-CG1 4.16Å; A2081-I2147 HydrophobicContact CB-CD1 3.78Å; A2081-I2154 HydrophobicContact CB-CD1 3.53Å; A2081-F2159 HydrophobicContact CB-CE2 4.39Å; A2081-F2159 HydrophobicContact CB-CZ 4.15Å |
| 2082 | T | 72.1 | Confident | 73.1 | Confident | 14 Ų | 14 | 46 Ų | 46 | 9% | 0.086 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 131.1 | -165.9 | 70.9 | 0 | 0 | 0 | 0 | 111 | S2060 F2064 F2097 S2098 | S2060-T2082 WeakPolarHBondContact O-CG2 3.3Å; F2064-T2082 HydrophobicContact CE1-CG2 4.37Å; T2082-F2097 CarbonylContact O-C 3.55Å; T2082-S2098 PolarHBondContact N-O 2.94Å; T2082-S2098 PolarHBondContact O-N 2.83Å |
| 2083 | G | 69.4 | Low | 73.3 | Confident | 14 Ų | 14 | 41.3 Ų | 41.3 | 14% | 0.144 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 153.3 | 170.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L2086 | G2083-L2086 PolarHBondContact O-N 3.48Š|
| 2084 | Q | 70.6 | Confident | 73.9 | Confident | 113 Ų | 113 | 42.3 Ų | 42.3 | 53% | 0.528 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -67.1 | -39.7 | -176.8 | -173.3 | 171.2 | -7.7 | 0 | 0 | 111.5 | L2086 Q2087 N2088 D2096 | Q2084-L2086 PolarHBondContact O-N 3.29Å; Q2084-Q2087 WeakPolarHBondContact O-CA 3.45Å; Q2084-Q2087 PolarHBondContact O-N 2.81Å; Q2084-N2088 CarbonylContact C-O 3.58Å; Q2084-N2088 PolarHBondContact O-N 3.05Å; Q2084-D2096 PolarHBondContact N-O 2.82Å |
| 2085 | G | 75.7 | Confident | 74.6 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -66.3 | 1.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | D2096 Y2135 | G2085-D2096 PolarHBondContact N-O 2.81Å; G2085-Y2135 WeakPolarHBondContact O-CE1 3.3Å; G2085-Y2135 PolarHBondContact O-OH 2.79Å |
| 2086 | L | 77.2 | Confident | 74.9 | Confident | 12 Ų | 12 | 41.6 Ų | 41.6 | 6% | 0.063 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -104.8 | 9.7 | 166.9 | -63.7 | 176.4 | 0 | 0 | 0 | 112.7 | A2081 G2083 Q2084 F2097 C2145 I2147 F2159 | A2081-L2086 HydrophobicContact CB-CD1 3.61Å; G2083-L2086 PolarHBondContact O-N 3.48Å; Q2084-L2086 PolarHBondContact O-N 3.29Å; L2086-F2097 HydrophobicContact CD1-CB 4.01Å; L2086-F2097 HydrophobicContact CD1-CD2 3.68Å; L2086-F2097 HydrophobicContact CD1-CE2 4.22Å; L2086-F2097 HydrophobicContact CD1-CG 3.91Å; L2086-F2097 HydrophobicContact CD2-CD1 3.89Å; L2086-F2097 HydrophobicContact CD2-CD2 4Å; L2086-F2097 HydrophobicContact CD2-CE1 3.85Å; L2086-F2097 HydrophobicContact CD2-CE2 3.96Å; L2086-F2097 HydrophobicContact CD2-CG 3.95Å; L2086-F2097 HydrophobicContact CD2-CZ 3.87Å; L2086-F2097 HydrophobicContact CG-CB 3.78Å; L2086-F2097 HydrophobicContact CG-CD1 3.94Å; L2086-F2097 HydrophobicContact CG-CD2 3.84Å; L2086-F2097 HydrophobicContact CG-CE1 4.4Å; L2086-F2097 HydrophobicContact CG-CE2 4.32Å; L2086-F2097 HydrophobicContact CG-CG 3.62Å; L2086-C2145 HydrophobicContact CD2-CB 4.15Å; L2086-I2147 HydrophobicContact CD1-CD1 4.33Å; L2086-I2147 HydrophobicContact CD2-CD1 4.16Å; L2086-F2159 HydrophobicContact CB-CB 4.5Å; L2086-F2159 HydrophobicContact CB-CD1 4.07Å; L2086-F2159 HydrophobicContact CB-CG 4.26Å; L2086-F2159 HydrophobicContact CD1-CD1 4.47Å; L2086-F2159 HydrophobicContact CD1-CE1 4.31Å; L2086-F2159 HydrophobicContact CD1-CE2 4.37Å; L2086-F2159 HydrophobicContact CD1-CZ 4.28Å; L2086-F2159 HydrophobicContact CD2-CB 4.22Å; L2086-F2159 HydrophobicContact CD2-CD2 3.98Å; L2086-F2159 HydrophobicContact CD2-CG 4.02Å |
| 2087 | Q | 72.5 | Confident | 75.3 | Confident | 98 Ų | 98 | 41.4 Ų | 41.4 | 46% | 0.458 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -132.5 | -59.1 | -178 | -57.1 | 178.5 | 5.8 | 0 | 0 | 110.7 | Q2084 I2162 | Q2084-Q2087 WeakPolarHBondContact O-CA 3.45Å; Q2084-Q2087 PolarHBondContact O-N 2.81Å; Q2087-I2162 PolarHBondContact O-N 3.5Å |
| 2088 | N | 72.9 | Confident | 75.5 | Confident | 71 Ų | 71 | 37.9 Ų | 37.9 | 38% | 0.38 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 152.5 | -178.6 | -53.4 | -73.1 | 0 | 0 | 0 | 110.5 | Q2084 I2162 | Q2084-N2088 CarbonylContact C-O 3.58Å; Q2084-N2088 PolarHBondContact O-N 3.05Å; N2088-I2162 CarbonylContact C-O 3.58Å; N2088-I2162 WeakPolarHBondContact CA-O 3.49Å |
| 2089 | G | 71.7 | Confident | 76 | Confident | 6 Ų | 6 | 36.6 Ų | 36.6 | 6% | 0.062 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | -174.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.2 | N2095 I2162 I2163 N2164 | G2089-N2095 WeakPolarHBondContact CA-OD1 3.32Å; G2089-I2162 PolarHBondContact N-O 3.35Å; G2089-I2163 WeakPolarHBondContact O-CA 3.3Å; G2089-N2164 PolarHBondContact O-N 3.11Å |
| 2090 | L | 71.3 | Confident | 76.1 | Confident | 74 Ų | 74 | 37.2 Ų | 37.2 | 39% | 0.387 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 144.4 | -179.7 | -65.1 | 178.2 | 0 | 0 | 0 | 111.5 | S2093 N2095 N2164 A2166 | L2090-S2093 WeakPolarHBondContact CB-OG 3.36Å; L2090-N2095 PolarHBondContact N-OD1 3.16Å; L2090-N2095 PolarHBondContact O-ND2 3.07Å; L2090-N2095 VanDerWaalsContact O-ND2 3.14Å; L2090-N2095 PolarHBondContact O-OD1 3.13Å; L2090-N2164 CarbonylContact C-O 3.55Å; L2090-N2164 VanDerWaalsContact CA-O 3.3Å; L2090-N2164 WeakPolarHBondContact CA-O 3.49Å; L2090-N2164 HydrophobicContact CD2-CB 4.05Å; L2090-A2166 HydrophobicContact CB-CB 4.31Å |
| 2091 | T | 72 | Confident | 76.4 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 147.1 | 170.5 | 57.9 | 0 | 0 | 0 | 0 | 111.1 | S2093 V2137 E2139 P2140 I2163 N2164 E2165 A2166 | T2091-S2093 PolarHBondContact O-N 3Å; T2091-S2093 PolarHBondContact O-OG 2.76Å; T2091-V2137 CarbonylContact C-O 3.57Å; T2091-V2137 WeakPolarHBondContact CA-O 3.3Å; T2091-E2139 WeakPolarHBondContact CG2-O 3.29Å; T2091-P2140 HydrophobicContact CG2-CB 4.07Å; T2091-P2140 VanDerWaalsContact CG2-N 3.34Å; T2091-I2163 HydrophobicContact CG2-CG2 3.69Å; T2091-N2164 PolarHBondContact N-O 3.1Å; T2091-E2165 WeakPolarHBondContact OG1-CA 3.2Å; T2091-A2166 WeakPolarHBondContact O-CB 3.47Å; T2091-A2166 PolarHBondContact OG1-N 2.88Å |
| 2092 | Y | 73.3 | Confident | 76.6 | Confident | 107 Ų | 107 | 35.5 Ų | 35.5 | 42% | 0.42 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | -4 | -178.8 | -47.8 | -73.5 | 0 | 0 | 0 | 116.4 | R2136 V2137 T2138 | Y2092-R2136 VanDerWaalsContact O-CZ 3.29Å; Y2092-R2136 PolarHBondContact O-NE 2.94Å; Y2092-R2136 PolarHBondContact O-NH2 2.89Å; Y2092-V2137 PolarHBondContact N-O 2.92Å; Y2092-T2138 HydrophobicContact CD1-CG2 4.16Å; Y2092-T2138 HydrophobicContact CE1-CG2 3.7Å; Y2092-T2138 PolarHBondContact OH-O 2.92Å |
| 2093 | S | 70.2 | Confident | 77 | Confident | 31 Ų | 31 | 35 Ų | 35 | 22% | 0.217 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -93.5 | 163 | 172.7 | -49.6 | 0 | 0 | 0 | 0 | 112.2 | L2090 T2091 N2095 | L2090-S2093 WeakPolarHBondContact CB-OG 3.36Å; T2091-S2093 PolarHBondContact O-N 3Å; T2091-S2093 PolarHBondContact O-OG 2.76Å; S2093-N2095 PolarHBondContact O-ND2 2.73Å; S2093-N2095 VanDerWaalsContact O-ND2 3.15Å |
| 2094 | L | 76.5 | Confident | 77.4 | Confident | 107 Ų | 107 | 34.5 Ų | 34.5 | 56% | 0.56 | 17% | 0.171 | S | C | * | . | trans | -82.7 | 117.5 | 170.7 | -80.4 | 158.8 | 0 | 0 | 0 | 110.2 | ||||
| 2095 | N | 83.4 | Confident | 77.5 | Confident | 9 Ų | 9 | 29.5 Ų | 29.5 | 5% | 0.048 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 100.8 | -178.5 | -58.8 | -73.5 | 0 | 0 | 0 | 109.1 | G2089 L2090 S2093 S2134 Y2135 | G2089-N2095 WeakPolarHBondContact CA-OD1 3.32Å; L2090-N2095 PolarHBondContact N-OD1 3.16Å; L2090-N2095 PolarHBondContact O-ND2 3.07Å; L2090-N2095 VanDerWaalsContact O-ND2 3.14Å; L2090-N2095 PolarHBondContact O-OD1 3.13Å; S2093-N2095 PolarHBondContact O-ND2 2.73Å; S2093-N2095 VanDerWaalsContact O-ND2 3.15Å; N2095-S2134 WeakPolarHBondContact O-CA 3.42Å; N2095-Y2135 HydrophobicContact CB-CD1 3.9Å; N2095-Y2135 HydrophobicContact CB-CD2 4.31Å; N2095-Y2135 HydrophobicContact CB-CE1 3.58Å; N2095-Y2135 HydrophobicContact CB-CE2 4.02Å; N2095-Y2135 HydrophobicContact CB-CG 4.25Å; N2095-Y2135 WeakPolarHBondContact CB-O 3.47Å; N2095-Y2135 PolarHBondContact N-O 2.72Å; N2095-Y2135 PolarHBondContact ND2-O 2.87Å; N2095-Y2135 VanDerWaalsContact O-CD1 3.28Å; N2095-Y2135 WeakPolarHBondContact O-CD1 3.1Å; N2095-Y2135 PolarHBondContact O-N 2.73Å; N2095-Y2135 VanDerWaalsContact O-N 3.11Å |
| 2096 | D | 80.5 | Confident | 77.6 | Confident | 33 Ų | 33 | 32.1 Ų | 32.1 | 18% | 0.176 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 137.3 | -166.5 | -97.4 | -45.5 | 0 | 0 | 0 | 114.7 | K2003 P2005 Q2084 G2085 S2134 | K2003-D2096 VanDerWaalsContact CE-OD2 3.22Å; K2003-D2096 WeakPolarHBondContact CE-OD2 3.49Å; K2003-D2096 IonicContact NZ-OD1 2.74Å; K2003-D2096 PolarHBondContact NZ-OD1 3Å; K2003-D2096 IonicContact NZ-OD2 3.29Å; K2003-D2096 PolarHBondContact NZ-OD2 2.9Å; P2005-D2096 HydrophobicContact CG-CB 4.15Å; Q2084-D2096 PolarHBondContact N-O 2.82Å; G2085-D2096 PolarHBondContact N-O 2.81Å; D2096-S2134 WeakPolarHBondContact OD1-CB 3.49Å |
| 2097 | F | 83.4 | Confident | 77.5 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.009 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 179.1 | 163.8 | 66.8 | -91 | 0 | 0 | 0 | 113.3 | T2082 L2086 I2099 I2111 V2133 Y2135 I2147 | T2082-F2097 CarbonylContact O-C 3.55Å; L2086-F2097 HydrophobicContact CD1-CB 4.01Å; L2086-F2097 HydrophobicContact CD1-CD2 3.68Å; L2086-F2097 HydrophobicContact CD1-CE2 4.22Å; L2086-F2097 HydrophobicContact CD1-CG 3.91Å; L2086-F2097 HydrophobicContact CD2-CD1 3.89Å; L2086-F2097 HydrophobicContact CD2-CD2 4Å; L2086-F2097 HydrophobicContact CD2-CE1 3.85Å; L2086-F2097 HydrophobicContact CD2-CE2 3.96Å; L2086-F2097 HydrophobicContact CD2-CG 3.95Å; L2086-F2097 HydrophobicContact CD2-CZ 3.87Å; L2086-F2097 HydrophobicContact CG-CB 3.78Å; L2086-F2097 HydrophobicContact CG-CD1 3.94Å; L2086-F2097 HydrophobicContact CG-CD2 3.84Å; L2086-F2097 HydrophobicContact CG-CE1 4.4Å; L2086-F2097 HydrophobicContact CG-CE2 4.32Å; L2086-F2097 HydrophobicContact CG-CG 3.62Å; F2097-I2099 HydrophobicContact CD2-CG1 4.18Å; F2097-I2099 HydrophobicContact CE2-CD1 4.03Å; F2097-I2099 HydrophobicContact CE2-CG1 3.98Å; F2097-I2111 HydrophobicContact CZ-CG2 4.25Å; F2097-V2133 HydrophobicContact CD1-CB 4.23Å; F2097-V2133 HydrophobicContact CD1-CG1 4.43Å; F2097-V2133 HydrophobicContact CD2-CB 3.88Å; F2097-V2133 HydrophobicContact CD2-CG2 4.17Å; F2097-V2133 HydrophobicContact CE1-CB 3.97Å; F2097-V2133 HydrophobicContact CE1-CG1 3.74Å; F2097-V2133 HydrophobicContact CE2-CB 3.59Å; F2097-V2133 HydrophobicContact CE2-CG1 3.91Å; F2097-V2133 HydrophobicContact CE2-CG2 3.74Å; F2097-V2133 HydrophobicContact CG-CB 4.2Å; F2097-V2133 HydrophobicContact CZ-CB 3.65Å; F2097-V2133 HydrophobicContact CZ-CG1 3.45Å; F2097-V2133 VanDerWaalsContact CZ-CG1 3.45Å; F2097-V2133 HydrophobicContact CZ-CG2 4.17Å; F2097-V2133 PolarHBondContact N-O 3.39Å; F2097-V2133 PolarHBondContact O-N 2.78Å; F2097-Y2135 HydrophobicContact CD1-CD1 4.38Å; F2097-Y2135 HydrophobicContact CD1-CE1 4.31Å; F2097-Y2135 AromaticContact CE1-CD1 3.97Å; F2097-Y2135 HydrophobicContact CE1-CD1 3.97Å; F2097-Y2135 HydrophobicContact CE1-CE1 4.07Å; F2097-I2147 HydrophobicContact CD2-CD1 4.41Å; F2097-I2147 HydrophobicContact CE2-CD1 3.57Å; F2097-I2147 HydrophobicContact CZ-CD1 4.1Å |
| 2098 | S | 79.1 | Confident | 77.9 | Confident | 6 Ų | 6 | 27.6 Ų | 27.6 | 4% | 0.042 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 155.2 | 179 | -66.2 | 0 | 0 | 0 | 0 | 111.2 | K2003 A2081 T2082 C2131 | K2003-S2098 WeakPolarHBondContact CB-OG 3.24Å; A2081-S2098 CarbonylContact C-O 3.54Å; A2081-S2098 VanDerWaalsContact CA-O 3.31Å; A2081-S2098 WeakPolarHBondContact CA-O 3.36Å; T2082-S2098 PolarHBondContact N-O 2.94Å; T2082-S2098 PolarHBondContact O-N 2.83Å; S2098-C2131 CarbonylContact C-O 3.57Å; S2098-C2131 VanDerWaalsContact CA-O 3.23Å; S2098-C2131 WeakPolarHBondContact CA-O 3.44Å |
| 2099 | I | 85.6 | Confident | 78.6 | Confident | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 125.3 | 176.6 | -51.7 | 173.2 | 0 | 0 | 0 | 108.8 | V2079 H2080 A2081 F2097 T2101 L2109 I2111 S2130 C2131 V2133 I2147 | V2079-I2099 HydrophobicContact CG1-CG2 3.37Å; H2080-I2099 CarbonylContact O-C 3.46Å; H2080-I2099 WeakPolarHBondContact O-CA 3.3Å; A2081-I2099 HydrophobicContact CB-CG1 4.16Å; F2097-I2099 HydrophobicContact CD2-CG1 4.18Å; F2097-I2099 HydrophobicContact CE2-CD1 4.03Å; F2097-I2099 HydrophobicContact CE2-CG1 3.98Å; I2099-T2101 HydrophobicContact CG2-CG2 3.93Å; I2099-L2109 HydrophobicContact CD1-CD1 4.29Å; I2099-L2109 HydrophobicContact CD1-CD2 4.04Å; I2099-L2109 HydrophobicContact CG2-CD1 4.3Å; I2099-L2109 HydrophobicContact CG2-CD2 4.44Å; I2099-I2111 HydrophobicContact CD1-CD1 3.75Å; I2099-I2111 HydrophobicContact CD1-CG1 4.03Å; I2099-S2130 CarbonylContact O-C 3.55Å; I2099-S2130 WeakPolarHBondContact O-CA 3.3Å; I2099-C2131 HydrophobicContact CB-CB 4.33Å; I2099-C2131 PolarHBondContact N-O 2.79Å; I2099-C2131 PolarHBondContact O-N 2.92Å; I2099-V2133 HydrophobicContact CD1-CG2 3.75Å; I2099-V2133 HydrophobicContact CG1-CG2 4.06Å; I2099-I2147 HydrophobicContact CD1-CD1 4.1Å; I2099-I2147 HydrophobicContact CD1-CG2 4.02Å; I2099-I2147 HydrophobicContact CG1-CD1 4.37Å |
| 2100 | Y | 83.2 | Confident | 79.3 | Confident | 12 Ų | 12 | 24.4 Ų | 24.4 | 5% | 0.047 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 117.9 | 172.9 | -179.2 | -108.7 | 0 | 0 | 0 | 109.7 | L2000 F2064 Q2065 V2079 H2080 R2102 E2103 | L2000-Y2100 HydrophobicContact CD1-CD2 3.73Å; L2000-Y2100 HydrophobicContact CD1-CE2 3.45Å; L2000-Y2100 VanDerWaalsContact CD1-CE2 3.45Å; F2064-Y2100 HydrophobicContact CD1-CD1 4.44Å; Q2065-Y2100 WeakPolarHBondContact O-CE1 3.21Å; Q2065-Y2100 PolarHBondContact O-OH 2.84Å; V2079-Y2100 WeakPolarHBondContact CA-O 3.37Å; H2080-Y2100 PolarHBondContact N-O 2.94Å; H2080-Y2100 PolarHBondContact O-N 3.05Å; Y2100-R2102 HydrophobicContact CD2-CB 4.32Å; Y2100-R2102 HydrophobicContact CE1-CB 4.2Å; Y2100-R2102 HydrophobicContact CE2-CB 3.63Å; Y2100-R2102 WeakPolarHBondContact OH-CD 3.23Å; Y2100-E2103 HydrophobicContact CE1-CG 4.22Å |
| 2101 | T | 85.2 | Confident | 80.3 | Confident | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.018 | 12% | 0.118 | C | C | . | . | trans | -116.3 | -8.2 | -174.3 | 60.4 | 0 | 0 | 0 | 0 | 113.9 | R1986 V2079 I2099 E2103 A2104 L2109 G2129 | R1986-T2101 HydrophobicContact CG-CG2 4.48Å; R1986-T2101 PolarHBondContact NE-OG1 2.79Å; R1986-T2101 PolarHBondContact NH2-OG1 3.28Å; V2079-T2101 HydrophobicContact CG1-CG2 4.03Å; V2079-T2101 HydrophobicContact CG2-CG2 4.37Å; I2099-T2101 HydrophobicContact CG2-CG2 3.93Å; T2101-E2103 VanDerWaalsContact C-N 3.32Å; T2101-E2103 PolarHBondContact O-N 3.17Å; T2101-E2103 VanDerWaalsContact O-N 3.13Å; T2101-A2104 VanDerWaalsContact O-CB 3.3Å; T2101-A2104 WeakPolarHBondContact O-CB 3.46Å; T2101-A2104 PolarHBondContact O-N 3.46Å; T2101-L2109 HydrophobicContact CG2-CD2 4.18Å; T2101-G2129 PolarHBondContact N-O 3.44Å; T2101-G2129 PolarHBondContact OG1-O 2.89Å | ||
| 2102 | R | 82.6 | Confident | 80.9 | Confident | 30 Ų | 30 | 21.3 Ų | 21.3 | 11% | 0.113 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -45.3 | -50.6 | -170.1 | -166.2 | -171.6 | -178.7 | 95.7 | -3.3 | 114.1 | A1989 T1992 Y2100 A2104 D2128 G2129 | A1989-R2102 HydrophobicContact CB-CG 3.75Å; T1992-R2102 PolarHBondContact OG1-NH2 3.29Å; Y2100-R2102 HydrophobicContact CD2-CB 4.32Å; Y2100-R2102 HydrophobicContact CE1-CB 4.2Å; Y2100-R2102 HydrophobicContact CE2-CB 3.63Å; Y2100-R2102 WeakPolarHBondContact OH-CD 3.23Å; R2102-A2104 VanDerWaalsContact C-N 3.3Å; R2102-A2104 PolarHBondContact O-N 2.93Å; R2102-D2128 PolarHBondContact NH1-O 2.78Å; R2102-G2129 PolarHBondContact N-O 2.96Å |
| 2103 | E | 81.3 | Confident | 81.6 | Confident | 3 Ų | 3 | 16.3 Ų | 16.3 | 1% | 0.014 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -80 | -8.7 | -175.6 | -59.8 | -72.8 | 131 | 0 | 0 | 113.1 | Q2065 F2066 T2067 K2078 Y2100 T2101 | Q2065-E2103 HydrophobicContact CB-CG 4.16Å; Q2065-E2103 HydrophobicContact CG-CG 4.11Å; Q2065-E2103 PolarHBondContact NE2-OE2 2.81Å; F2066-E2103 WeakPolarHBondContact CA-OE1 3.42Å; T2067-E2103 WeakPolarHBondContact CB-OE2 3.38Å; T2067-E2103 PolarHBondContact N-OE1 3.11Å; T2067-E2103 PolarHBondContact OG1-OE2 2.89Å; K2078-E2103 HydrophobicContact CB-CB 4.09Å; K2078-E2103 HydrophobicContact CD-CB 4.22Å; K2078-E2103 WeakPolarHBondContact CD-O 3.26Å; Y2100-E2103 HydrophobicContact CE1-CG 4.22Å; T2101-E2103 VanDerWaalsContact C-N 3.32Å; T2101-E2103 PolarHBondContact O-N 3.17Å; T2101-E2103 VanDerWaalsContact O-N 3.13Å |
| 2104 | A | 77.7 | Confident | 82 | Confident | 3 Ų | 3 | 16.8 Ų | 16.8 | 3% | 0.025 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -86 | -10.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | G2074 G2075 K2078 V2079 T2101 R2102 F2149 | G2074-A2104 CarbonylContact C-O 3.53Å; G2074-A2104 WeakPolarHBondContact CA-O 3.29Å; G2075-A2104 PolarHBondContact N-O 2.8Å; G2075-A2104 WeakPolarHBondContact O-CB 3.43Å; K2078-A2104 HydrophobicContact CB-CB 4.17Å; V2079-A2104 HydrophobicContact CG2-CB 3.42Å; V2079-A2104 VanDerWaalsContact CG2-CB 3.42Å; T2101-A2104 VanDerWaalsContact O-CB 3.3Å; T2101-A2104 WeakPolarHBondContact O-CB 3.46Å; T2101-A2104 PolarHBondContact O-N 3.46Å; R2102-A2104 VanDerWaalsContact C-N 3.3Å; R2102-A2104 PolarHBondContact O-N 2.93Å; A2104-F2149 HydrophobicContact CB-CD1 4.32Å; A2104-F2149 HydrophobicContact CB-CE1 3.83Å; A2104-F2149 HydrophobicContact CB-CZ 3.99Å |
| 2105 | G | 72 | Confident | 82 | Confident | 9 Ų | 9 | 11.7 Ų | 11.7 | 9% | 0.093 | 8% | 0.075 | C | C | . | . | trans | 77 | -159.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2106 | A | 77.2 | Confident | 81 | Confident | 56 Ų | 56 | 13.5 Ų | 13.5 | 46% | 0.463 | 9% | 0.087 | S | C | . | . | S | Bend | trans | -80.1 | 142.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R1986 | R1986-A2106 CarbonylContact O-C 3.55Å; R1986-A2106 WeakPolarHBondContact O-CA 3.48Å; R1986-A2106 WeakPolarHBondContact O-CB 3.44Å |
| 2107 | G | 76.4 | Confident | 80.8 | Confident | 6 Ų | 6 | 12.2 Ų | 12.2 | 6% | 0.062 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167 | 168.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q1985 R1986 L2109 N2150 | Q1985-G2107 VanDerWaalsContact OE1-C 3.31Å; Q1985-G2107 PolarHBondContact OE1-O 2.82Å; R1986-G2107 VanDerWaalsContact CB-O 3.31Å; R1986-G2107 WeakPolarHBondContact CB-O 2.89Å; R1986-G2107 PolarHBondContact N-O 3.4Å; R1986-G2107 PolarHBondContact O-N 2.76Å; G2107-L2109 PolarHBondContact O-N 2.62Å; G2107-N2150 WeakPolarHBondContact CA-OD1 3.41Å |
| 2108 | G | 81.4 | Confident | 80.4 | Confident | 8 Ų | 8 | 17.2 Ų | 17.2 | 8% | 0.082 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 104.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1984 F2149 N2150 | R1984-G2108 CarbonylContact O-C 3.59Å; G2108-F2149 CarbonylContact O-C 3.52Å; G2108-F2149 WeakPolarHBondContact O-CA 3.33Å; G2108-N2150 PolarHBondContact N-OD1 2.84Å; G2108-N2150 PolarHBondContact O-N 2.8Å |
| 2109 | L | 87.5 | Confident | 80.4 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 124.2 | 171.8 | -176.7 | 66.8 | 0 | 0 | 0 | 110 | T1983 R1984 R1986 I2099 T2101 G2107 F2123 I2147 F2149 | T1983-L2109 CarbonylContact C-O 3.59Å; T1983-L2109 WeakPolarHBondContact CA-O 3.46Å; R1984-L2109 PolarHBondContact N-O 2.84Å; R1984-L2109 PolarHBondContact O-N 2.86Å; R1986-L2109 HydrophobicContact CG-CB 4.14Å; I2099-L2109 HydrophobicContact CD1-CD1 4.29Å; I2099-L2109 HydrophobicContact CD1-CD2 4.04Å; I2099-L2109 HydrophobicContact CG2-CD1 4.3Å; I2099-L2109 HydrophobicContact CG2-CD2 4.44Å; T2101-L2109 HydrophobicContact CG2-CD2 4.18Å; G2107-L2109 PolarHBondContact O-N 2.62Å; L2109-F2123 HydrophobicContact CD2-CE2 3.86Å; L2109-F2123 HydrophobicContact CD2-CZ 4.24Å; L2109-I2147 HydrophobicContact CD1-CG2 4.01Å; L2109-F2149 HydrophobicContact CB-CD2 4.17Å; L2109-F2149 HydrophobicContact CD1-CB 4.44Å; L2109-F2149 HydrophobicContact CD1-CD2 4.24Å |
| 2110 | S | 86.3 | Confident | 80.3 | Confident | 9 Ų | 9 | 22.5 Ų | 22.5 | 6% | 0.063 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 133.5 | -177.6 | -168.5 | 0 | 0 | 0 | 0 | 110.1 | I1982 T1983 I2147 R2148 | I1982-S2110 WeakPolarHBondContact O-CA 3.47Å; T1983-S2110 PolarHBondContact OG1-OG 3.17Å; S2110-I2147 CarbonylContact O-C 3.53Å; S2110-I2147 WeakPolarHBondContact O-CA 3.39Å; S2110-R2148 PolarHBondContact N-O 3.03Å; S2110-R2148 PolarHBondContact O-N 2.9Å |
| 2111 | I | 90.6 | Very high | 80.5 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 123.4 | -177.7 | -57.9 | 153.3 | 0 | 0 | 0 | 107.5 | R1981 I1982 F2097 I2099 F2123 V2133 S2146 I2147 | R1981-I2111 CarbonylContact C-O 3.47Å; R1981-I2111 WeakPolarHBondContact CA-O 3.39Å; I1982-I2111 HydrophobicContact CD1-CB 4.42Å; I1982-I2111 HydrophobicContact CD1-CD1 4.03Å; I1982-I2111 HydrophobicContact CG1-CB 3.9Å; I1982-I2111 HydrophobicContact CG1-CD1 4.33Å; I1982-I2111 PolarHBondContact N-O 2.94Å; I1982-I2111 PolarHBondContact O-N 2.77Å; F2097-I2111 HydrophobicContact CZ-CG2 4.25Å; I2099-I2111 HydrophobicContact CD1-CD1 3.75Å; I2099-I2111 HydrophobicContact CD1-CG1 4.03Å; I2111-F2123 HydrophobicContact CD1-CD2 3.82Å; I2111-F2123 HydrophobicContact CD1-CE2 4.1Å; I2111-V2133 HydrophobicContact CD1-CG1 4.16Å; I2111-V2133 HydrophobicContact CD1-CG2 3.79Å; I2111-S2146 CarbonylContact C-O 3.55Å; I2111-S2146 WeakPolarHBondContact CA-O 3.33Å; I2111-I2147 HydrophobicContact CG1-CG1 4.46Å; I2111-I2147 HydrophobicContact CG1-CG2 4.37Å |
| 2112 | A | 85.4 | Confident | 80.3 | Confident | 11 Ų | 11 | 27.5 Ų | 27.5 | 9% | 0.091 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 144.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | E1980 R1981 C2145 S2146 | E1980-A2112 CarbonylContact O-C 3.52Å; E1980-A2112 VanDerWaalsContact O-CA 3.23Å; E1980-A2112 WeakPolarHBondContact O-CA 3.48Å; R1981-A2112 HydrophobicContact CB-CB 3.85Å; R1981-A2112 HydrophobicContact CG-CB 3.92Å; A2112-C2145 CarbonylContact O-C 3.5Å; A2112-C2145 WeakPolarHBondContact O-CA 3.22Å; A2112-S2146 PolarHBondContact N-O 2.99Å; A2112-S2146 PolarHBondContact O-N 3.48Å |
| 2113 | I | 88.4 | Confident | 80.4 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 118.8 | 179.7 | -58.7 | -176.8 | 0 | 0 | 0 | 108.4 | M1979 E1980 A2119 I2121 Y2135 Y2143 L2144 C2145 | M1979-I2113 VanDerWaalsContact CA-O 3.31Å; M1979-I2113 WeakPolarHBondContact CA-O 3.06Å; E1980-I2113 PolarHBondContact N-O 2.7Å; E1980-I2113 PolarHBondContact O-N 2.78Å; I2113-A2119 HydrophobicContact CB-CB 3.9Å; I2113-A2119 HydrophobicContact CG2-CB 3.74Å; I2113-I2121 HydrophobicContact CB-CD1 4.19Å; I2113-I2121 HydrophobicContact CD1-CD1 4.06Å; I2113-I2121 HydrophobicContact CD1-CG1 4.15Å; I2113-I2121 HydrophobicContact CG1-CD1 3.92Å; I2113-Y2135 HydrophobicContact CD1-CD1 3.49Å; I2113-Y2135 VanDerWaalsContact CD1-CD1 3.49Å; I2113-Y2135 HydrophobicContact CD1-CD2 3.57Å; I2113-Y2135 HydrophobicContact CD1-CE1 3.95Å; I2113-Y2135 HydrophobicContact CD1-CE2 4.03Å; I2113-Y2135 HydrophobicContact CD1-CG 3.27Å; I2113-Y2135 HydrophobicContact CG2-CD2 4.37Å; I2113-Y2135 HydrophobicContact CG2-CE2 4.3Å; I2113-Y2143 HydrophobicContact CG2-CD1 3.91Å; I2113-L2144 WeakPolarHBondContact CA-O 3.27Å; I2113-C2145 HydrophobicContact CG1-CB 4.38Å |
| 2114 | E | 77.9 | Confident | 80.3 | Confident | 41 Ų | 41 | 32.5 Ų | 32.5 | 19% | 0.192 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 139.1 | 178.7 | -175.5 | -161.7 | 126.5 | 0 | 0 | 110.7 | R1977 M1978 M1979 Y2143 L2144 | R1977-E2114 HydrophobicContact CB-CG 4.41Å; R1977-E2114 WeakPolarHBondContact CD-OE1 3.21Å; R1977-E2114 IonicContact CZ-OE1 2.74Å; R1977-E2114 IonicContact NE-OE1 3.5Å; R1977-E2114 IonicContact NH1-OE1 2.61Å; R1977-E2114 PolarHBondContact NH1-OE1 3.3Å; M1978-E2114 CarbonylContact O-C 3.49Å; M1978-E2114 VanDerWaalsContact O-CA 3.32Å; M1978-E2114 WeakPolarHBondContact O-CA 3.2Å; M1979-E2114 HydrophobicContact CB-CB 4.23Å; M1979-E2114 HydrophobicContact CB-CG 4.32Å; M1979-E2114 HydrophobicContact CE-CB 3.97Å; M1979-E2114 HydrophobicContact CE-CG 4.1Å; M1979-E2114 VanDerWaalsContact CE-OE2 3.28Å; M1979-E2114 WeakPolarHBondContact CE-OE2 2.96Å; M1979-E2114 HydrophobicContact CG-CB 4.21Å; E2114-Y2143 CarbonylContact O-C 3.55Å; E2114-Y2143 WeakPolarHBondContact O-CA 3.5Å; E2114-Y2143 WeakPolarHBondContact O-CD1 3.32Å; E2114-L2144 HydrophobicContact CB-CB 4.36Å; E2114-L2144 PolarHBondContact N-O 2.84Å; E2114-L2144 PolarHBondContact O-N 2.65Å |
| 2115 | G | 76.3 | Confident | 80.2 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.8 | -161 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | M1978 | M1978-G2115 PolarHBondContact N-O 2.96Å; M1978-G2115 PolarHBondContact O-N 2.89Å |
| 2116 | P | 62.7 | Low | 80.2 | Confident | 47 Ų | 47 | 37.9 Ų | 37.9 | 31% | 0.305 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -56.3 | -49.9 | 177.8 | -28.4 | 36.2 | 0 | 0 | 0 | 114 | E2139 Y2143 | P2116-E2139 HydrophobicContact CB-CB 4.1Å; P2116-Y2143 HydrophobicContact CG-CE2 4.43Å |
| 2117 | S | 76.9 | Confident | 79.8 | Confident | 5 Ų | 5 | 42 Ų | 42 | 4% | 0.035 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -106.7 | 158.3 | 176 | 82.6 | 0 | 0 | 0 | 0 | 112.8 | T2138 E2139 Y2143 | S2117-T2138 WeakPolarHBondContact CB-OG1 3.38Å; S2117-T2138 PolarHBondContact OG-N 2.99Å; S2117-T2138 PolarHBondContact OG-OG1 2.95Å; S2117-E2139 PolarHBondContact OG-N 2.73Å; S2117-Y2143 PolarHBondContact N-OH 2.88Å; S2117-Y2143 VanDerWaalsContact N-OH 3.07Å; S2117-Y2143 WeakPolarHBondContact O-CE1 3.41Å; S2117-Y2143 PolarHBondContact OG-OH 2.9Å |
| 2118 | K | 74.7 | Confident | 79.4 | Confident | 107 Ų | 107 | 43.3 Ų | 43.3 | 47% | 0.465 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -60.5 | 140.6 | 168.6 | -163.5 | -177.8 | -179.9 | -163.4 | 0 | 110.6 | M1978 E1980 | M1978-K2118 HydrophobicContact CB-CB 4.16Å; M1978-K2118 HydrophobicContact SD-CB 3.95Å; M1978-K2118 PolarHBondContact SD-N 2.74Å; M1978-K2118 VanDerWaalsContact SD-N 3.38Å; E1980-K2118 HydrophobicContact CB-CG 4.35Å; E1980-K2118 WeakPolarHBondContact OE1-CE 3.49Å; E1980-K2118 IonicContact OE1-NZ 3.67Å; E1980-K2118 PolarHBondContact OE1-NZ 2.79Å; E1980-K2118 WeakPolarHBondContact OE2-CE 3.35Å; E1980-K2118 IonicContact OE2-NZ 2.95Å; E1980-K2118 PolarHBondContact OE2-NZ 2.76Å; E1980-K2118 VanDerWaalsContact OE2-NZ 3.1Å |
| 2119 | A | 80 | Confident | 78.8 | Confident | 2 Ų | 2 | 43 Ų | 43 | 2% | 0.017 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -96.9 | 136.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1980 I2113 I2121 Y2135 R2136 V2137 | E1980-A2119 WeakPolarHBondContact CB-O 3.38Å; E1980-A2119 WeakPolarHBondContact CG-O 3.16Å; I2113-A2119 HydrophobicContact CB-CB 3.9Å; I2113-A2119 HydrophobicContact CG2-CB 3.74Å; A2119-I2121 HydrophobicContact CB-CG1 4.3Å; A2119-Y2135 HydrophobicContact CB-CD2 4.47Å; A2119-R2136 CarbonylContact C-O 3.53Å; A2119-R2136 VanDerWaalsContact CA-O 3.29Å; A2119-R2136 WeakPolarHBondContact CA-O 3.39Å; A2119-V2137 HydrophobicContact CB-CG1 3.65Å |
| 2120 | E | 81.7 | Confident | 78.3 | Confident | 117 Ų | 117 | 43.1 Ų | 43.1 | 55% | 0.547 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 119.5 | 165.1 | -56.6 | 173.9 | 154.2 | 0 | 0 | 107.6 | Y2135 R2136 | E2120-Y2135 CarbonylContact O-C 3.58Å; E2120-Y2135 WeakPolarHBondContact O-CA 3.43Å; E2120-Y2135 VanDerWaalsContact O-CB 3.29Å; E2120-Y2135 WeakPolarHBondContact O-CB 3.32Å; E2120-R2136 HydrophobicContact CB-CB 4.18Å; E2120-R2136 PolarHBondContact N-O 2.8Å; E2120-R2136 PolarHBondContact O-N 2.8Å; E2120-R2136 WeakPolarHBondContact OE2-CD 3.46Å |
| 2121 | I | 87.7 | Confident | 78.1 | Confident | 22 Ų | 22 | 42.7 Ų | 42.7 | 11% | 0.113 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 116.1 | -174.6 | -45.5 | 178.2 | 0 | 0 | 0 | 111.2 | E1980 I1982 I2113 A2119 V2133 | E1980-I2121 HydrophobicContact CB-CD1 4.1Å; E1980-I2121 HydrophobicContact CB-CG1 4.42Å; E1980-I2121 HydrophobicContact CG-CD1 4.13Å; E1980-I2121 HydrophobicContact CG-CG1 4.25Å; I1982-I2121 HydrophobicContact CD1-CB 4.37Å; I1982-I2121 HydrophobicContact CD1-CG2 3.61Å; I1982-I2121 HydrophobicContact CG1-CG2 4.08Å; I1982-I2121 HydrophobicContact CG2-CB 4.33Å; I2113-I2121 HydrophobicContact CB-CD1 4.19Å; I2113-I2121 HydrophobicContact CD1-CD1 4.06Å; I2113-I2121 HydrophobicContact CD1-CG1 4.15Å; I2113-I2121 HydrophobicContact CG1-CD1 3.92Å; A2119-I2121 HydrophobicContact CB-CG1 4.3Å; I2121-V2133 HydrophobicContact CG2-CG1 4.15Å |
| 2122 | N | 81 | Confident | 77.6 | Confident | 98 Ų | 98 | 42.9 Ų | 42.9 | 52% | 0.524 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 141.9 | 173.3 | -74 | -37.7 | 0 | 0 | 0 | 111 | V2133 S2134 | N2122-V2133 WeakPolarHBondContact O-CA 3.31Å; N2122-S2134 WeakPolarHBondContact CB-OG 3.48Å; N2122-S2134 PolarHBondContact N-O 2.83Å; N2122-S2134 PolarHBondContact O-N 2.77Å |
| 2123 | F | 85.1 | Confident | 77.6 | Confident | 42 Ų | 42 | 42.4 Ų | 42.4 | 18% | 0.184 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 131.8 | -175.6 | 176.8 | -85.2 | 0 | 0 | 0 | 111.1 | I1982 R1984 L2109 I2111 D2125 C2131 V2133 | I1982-F2123 HydrophobicContact CD1-CB 3.66Å; I1982-F2123 HydrophobicContact CD1-CD2 4.18Å; I1982-F2123 HydrophobicContact CD1-CG 4.22Å; R1984-F2123 HydrophobicContact CB-CE1 4.15Å; R1984-F2123 HydrophobicContact CB-CZ 4.09Å; R1984-F2123 HydrophobicContact CG-CD1 3.81Å; R1984-F2123 HydrophobicContact CG-CD2 4.33Å; R1984-F2123 HydrophobicContact CG-CE1 3.71Å; R1984-F2123 HydrophobicContact CG-CE2 4.25Å; R1984-F2123 HydrophobicContact CG-CG 4.13Å; R1984-F2123 HydrophobicContact CG-CZ 3.95Å; L2109-F2123 HydrophobicContact CD2-CE2 3.86Å; L2109-F2123 HydrophobicContact CD2-CZ 4.24Å; I2111-F2123 HydrophobicContact CD1-CD2 3.82Å; I2111-F2123 HydrophobicContact CD1-CE2 4.1Å; F2123-D2125 HydrophobicContact CE1-CB 4.07Å; F2123-C2131 HydrophobicContact CE2-CB 3.8Å; F2123-C2131 HydrophobicContact CZ-CB 3.89Å; F2123-V2133 HydrophobicContact CD2-CG2 4.09Å |
| 2124 | E | 78.7 | Confident | 77.5 | Confident | 95 Ų | 95 | 43.4 Ų | 43.4 | 44% | 0.444 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 127.4 | -179.7 | 176.9 | -172.5 | -125.6 | 0 | 0 | 109.5 | R2126 C2131 G2132 | E2124-R2126 HydrophobicContact CG-CG 4.21Å; E2124-R2126 IonicContact OE2-CZ 3.24Å; E2124-R2126 IonicContact OE2-NE 2.75Å; E2124-R2126 PolarHBondContact OE2-NE 3.48Å; E2124-R2126 IonicContact OE2-NH2 3.17Å; E2124-R2126 PolarHBondContact OE2-NH2 2.68Å; E2124-C2131 CarbonylContact O-C 3.55Å; E2124-C2131 WeakPolarHBondContact O-CA 2.93Å; E2124-G2132 PolarHBondContact N-O 3.13Å; E2124-G2132 PolarHBondContact O-N 3.01Å |
| 2125 | D | 77.3 | Confident | 78 | Confident | 68 Ų | 68 | 41.4 Ų | 41.4 | 36% | 0.364 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 118.3 | 173.7 | -162.5 | -38 | 0 | 0 | 0 | 110.1 | R1986 F2123 K2127 | R1986-D2125 IonicContact CZ-OD1 3.7Å; R1986-D2125 IonicContact CZ-OD2 3.44Å; R1986-D2125 IonicContact NH1-OD1 2.73Å; R1986-D2125 PolarHBondContact NH1-OD1 3.29Å; R1986-D2125 IonicContact NH1-OD2 3.32Å; R1986-D2125 PolarHBondContact NH1-OD2 3.26Å; F2123-D2125 HydrophobicContact CE1-CB 4.07Å; D2125-K2127 PolarHBondContact OD1-N 2.81Å |
| 2126 | R | 70.8 | Confident | 78.4 | Confident | 57 Ų | 57 | 46.5 Ų | 46.5 | 22% | 0.215 | 22% | 0.222 | C | C | . | . | trans | -95.2 | 0.7 | -177.2 | -59.5 | 177.4 | 174.6 | -155.3 | -10 | 113.3 | N2035 E2124 D2128 S2130 | N2035-R2126 VanDerWaalsContact OD1-CZ 3.28Å; N2035-R2126 PolarHBondContact OD1-NH1 2.94Å; N2035-R2126 PolarHBondContact OD1-NH2 2.92Å; E2124-R2126 HydrophobicContact CG-CG 4.21Å; E2124-R2126 IonicContact OE2-CZ 3.24Å; E2124-R2126 IonicContact OE2-NE 2.75Å; E2124-R2126 PolarHBondContact OE2-NE 3.48Å; E2124-R2126 IonicContact OE2-NH2 3.17Å; E2124-R2126 PolarHBondContact OE2-NH2 2.68Å; R2126-D2128 PolarHBondContact O-N 3.01Å; R2126-S2130 WeakPolarHBondContact CB-O 3.36Å; R2126-S2130 WeakPolarHBondContact CB-OG 3.35Å; R2126-S2130 WeakPolarHBondContact CD-OG 3.5Å; R2126-S2130 PolarHBondContact N-O 2.8Å; R2126-S2130 VanDerWaalsContact N-O 3.17Å | ||
| 2127 | K | 68.4 | Low | 79.4 | Confident | 144 Ų | 144 | 44.3 Ų | 44.3 | 63% | 0.626 | 21% | 0.208 | S | C | * | . | S | Bend | trans | 58 | -18.8 | 178.8 | -53.9 | -169.1 | -176.5 | -168.6 | 0 | 117.4 | D674 D2125 G2129 | D674-K2127 IonicContact OD2-NZ 3.7Å; D674-K2127 PolarHBondContact OD2-NZ 3.43Å; D2125-K2127 PolarHBondContact OD1-N 2.81Å; K2127-G2129 PolarHBondContact O-N 2.75Å |
| 2128 | D | 68 | Low | 79.5 | Confident | 33 Ų | 33 | 47.1 Ų | 47.1 | 18% | 0.176 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -71.6 | -7.4 | 174.6 | 73 | -20.3 | 0 | 0 | 0 | 114.4 | N2001 R2102 R2126 S2130 | N2001-D2128 WeakPolarHBondContact CB-OD2 3.48Å; N2001-D2128 PolarHBondContact ND2-OD2 3.01Å; R2102-D2128 PolarHBondContact NH1-O 2.78Å; R2126-D2128 PolarHBondContact O-N 3.01Å; D2128-S2130 WeakPolarHBondContact OD1-CA 3.13Å; D2128-S2130 WeakPolarHBondContact OD1-CB 3.36Å; D2128-S2130 PolarHBondContact OD1-N 2.78Å; D2128-S2130 PolarHBondContact OD1-OG 2.72Å; D2128-S2130 PolarHBondContact OD2-OG 2.84Å |
| 2129 | G | 69.4 | Low | 79.1 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | S | Bend | trans | 109.6 | -5.4 | -172 | 0 | 0 | 0 | 0 | 0 | 113.7 | T2101 R2102 K2127 | T2101-G2129 PolarHBondContact N-O 3.44Å; T2101-G2129 PolarHBondContact OG1-O 2.89Å; R2102-G2129 PolarHBondContact N-O 2.96Å; K2127-G2129 PolarHBondContact O-N 2.75Å |
| 2130 | S | 76.5 | Confident | 78.7 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 3% | 0.028 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 154.4 | 170.9 | 71.2 | 0 | 0 | 0 | 0 | 112.5 | I2099 R2126 D2128 | I2099-S2130 CarbonylContact O-C 3.55Å; I2099-S2130 WeakPolarHBondContact O-CA 3.3Å; R2126-S2130 WeakPolarHBondContact CB-O 3.36Å; R2126-S2130 WeakPolarHBondContact CB-OG 3.35Å; R2126-S2130 WeakPolarHBondContact CD-OG 3.5Å; R2126-S2130 PolarHBondContact N-O 2.8Å; R2126-S2130 VanDerWaalsContact N-O 3.17Å; D2128-S2130 WeakPolarHBondContact OD1-CA 3.13Å; D2128-S2130 WeakPolarHBondContact OD1-CB 3.36Å; D2128-S2130 PolarHBondContact OD1-N 2.78Å; D2128-S2130 PolarHBondContact OD1-OG 2.72Å; D2128-S2130 PolarHBondContact OD2-OG 2.84Å |
| 2131 | C | 82 | Confident | 77.9 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 136.7 | 173.9 | -45.3 | 0 | 0 | 0 | 0 | 108.8 | R1986 S2098 I2099 F2123 E2124 | R1986-C2131 PolarHBondContact NH1-SG 3.12Å; S2098-C2131 CarbonylContact C-O 3.57Å; S2098-C2131 VanDerWaalsContact CA-O 3.23Å; S2098-C2131 WeakPolarHBondContact CA-O 3.44Å; I2099-C2131 HydrophobicContact CB-CB 4.33Å; I2099-C2131 PolarHBondContact N-O 2.79Å; I2099-C2131 PolarHBondContact O-N 2.92Å; F2123-C2131 HydrophobicContact CE2-CB 3.8Å; F2123-C2131 HydrophobicContact CZ-CB 3.89Å; E2124-C2131 CarbonylContact O-C 3.55Å; E2124-C2131 WeakPolarHBondContact O-CA 2.93Å |
| 2132 | G | 81.9 | Confident | 77.3 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 141.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | E2124 | E2124-G2132 PolarHBondContact N-O 3.13Å; E2124-G2132 PolarHBondContact O-N 3.01Å |
| 2133 | V | 85.1 | Confident | 77.4 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 134 | 173.2 | -168.7 | 0 | 0 | 0 | 0 | 108.6 | F2097 I2099 I2111 I2121 N2122 F2123 | F2097-V2133 HydrophobicContact CD1-CB 4.23Å; F2097-V2133 HydrophobicContact CD1-CG1 4.43Å; F2097-V2133 HydrophobicContact CD2-CB 3.88Å; F2097-V2133 HydrophobicContact CD2-CG2 4.17Å; F2097-V2133 HydrophobicContact CE1-CB 3.97Å; F2097-V2133 HydrophobicContact CE1-CG1 3.74Å; F2097-V2133 HydrophobicContact CE2-CB 3.59Å; F2097-V2133 HydrophobicContact CE2-CG1 3.91Å; F2097-V2133 HydrophobicContact CE2-CG2 3.74Å; F2097-V2133 HydrophobicContact CG-CB 4.2Å; F2097-V2133 HydrophobicContact CZ-CB 3.65Å; F2097-V2133 HydrophobicContact CZ-CG1 3.45Å; F2097-V2133 VanDerWaalsContact CZ-CG1 3.45Å; F2097-V2133 HydrophobicContact CZ-CG2 4.17Å; F2097-V2133 PolarHBondContact N-O 3.39Å; F2097-V2133 PolarHBondContact O-N 2.78Å; I2099-V2133 HydrophobicContact CD1-CG2 3.75Å; I2099-V2133 HydrophobicContact CG1-CG2 4.06Å; I2111-V2133 HydrophobicContact CD1-CG1 4.16Å; I2111-V2133 HydrophobicContact CD1-CG2 3.79Å; I2121-V2133 HydrophobicContact CG2-CG1 4.15Å; N2122-V2133 WeakPolarHBondContact O-CA 3.31Å; F2123-V2133 HydrophobicContact CD2-CG2 4.09Å |
| 2134 | S | 85.3 | Confident | 77.1 | Confident | 21 Ų | 21 | 44.8 Ų | 44.8 | 15% | 0.147 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 146.6 | 173.9 | 59.9 | 0 | 0 | 0 | 0 | 109.9 | N2095 D2096 N2122 | N2095-S2134 WeakPolarHBondContact O-CA 3.42Å; D2096-S2134 WeakPolarHBondContact OD1-CB 3.49Å; N2122-S2134 WeakPolarHBondContact CB-OG 3.48Å; N2122-S2134 PolarHBondContact N-O 2.83Å; N2122-S2134 PolarHBondContact O-N 2.77Å |
| 2135 | Y | 89.1 | Confident | 77.5 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 152.7 | 178.7 | 72.2 | -84 | 0 | 0 | 0 | 113.7 | G2085 N2095 F2097 I2113 A2119 E2120 V2137 V2161 I2163 | G2085-Y2135 WeakPolarHBondContact O-CE1 3.3Å; G2085-Y2135 PolarHBondContact O-OH 2.79Å; N2095-Y2135 HydrophobicContact CB-CD1 3.9Å; N2095-Y2135 HydrophobicContact CB-CD2 4.31Å; N2095-Y2135 HydrophobicContact CB-CE1 3.58Å; N2095-Y2135 HydrophobicContact CB-CE2 4.02Å; N2095-Y2135 HydrophobicContact CB-CG 4.25Å; N2095-Y2135 WeakPolarHBondContact CB-O 3.47Å; N2095-Y2135 PolarHBondContact N-O 2.72Å; N2095-Y2135 PolarHBondContact ND2-O 2.87Å; N2095-Y2135 VanDerWaalsContact O-CD1 3.28Å; N2095-Y2135 WeakPolarHBondContact O-CD1 3.1Å; N2095-Y2135 PolarHBondContact O-N 2.73Å; N2095-Y2135 VanDerWaalsContact O-N 3.11Å; F2097-Y2135 HydrophobicContact CD1-CD1 4.38Å; F2097-Y2135 HydrophobicContact CD1-CE1 4.31Å; F2097-Y2135 AromaticContact CE1-CD1 3.97Å; F2097-Y2135 HydrophobicContact CE1-CD1 3.97Å; F2097-Y2135 HydrophobicContact CE1-CE1 4.07Å; I2113-Y2135 HydrophobicContact CD1-CD1 3.49Å; I2113-Y2135 VanDerWaalsContact CD1-CD1 3.49Å; I2113-Y2135 HydrophobicContact CD1-CD2 3.57Å; I2113-Y2135 HydrophobicContact CD1-CE1 3.95Å; I2113-Y2135 HydrophobicContact CD1-CE2 4.03Å; I2113-Y2135 HydrophobicContact CD1-CG 3.27Å; I2113-Y2135 HydrophobicContact CG2-CD2 4.37Å; I2113-Y2135 HydrophobicContact CG2-CE2 4.3Å; A2119-Y2135 HydrophobicContact CB-CD2 4.47Å; E2120-Y2135 CarbonylContact O-C 3.58Å; E2120-Y2135 WeakPolarHBondContact O-CA 3.43Å; E2120-Y2135 VanDerWaalsContact O-CB 3.29Å; E2120-Y2135 WeakPolarHBondContact O-CB 3.32Å; Y2135-V2137 HydrophobicContact CD2-CG1 4.11Å; Y2135-V2137 HydrophobicContact CE2-CG1 4.26Å; Y2135-V2161 WeakPolarHBondContact OH-CG1 3.17Å; Y2135-I2163 HydrophobicContact CE2-CD1 4.11Å |
| 2136 | R | 84.9 | Confident | 77.9 | Confident | 107 Ų | 107 | 38 Ų | 38 | 40% | 0.404 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 141.3 | -179.6 | -161.9 | -172.5 | -158.1 | -163.2 | 2.4 | 109.7 | Y2092 A2119 E2120 | Y2092-R2136 VanDerWaalsContact O-CZ 3.29Å; Y2092-R2136 PolarHBondContact O-NE 2.94Å; Y2092-R2136 PolarHBondContact O-NH2 2.89Å; A2119-R2136 CarbonylContact C-O 3.53Å; A2119-R2136 VanDerWaalsContact CA-O 3.29Å; A2119-R2136 WeakPolarHBondContact CA-O 3.39Å; E2120-R2136 HydrophobicContact CB-CB 4.18Å; E2120-R2136 PolarHBondContact N-O 2.8Å; E2120-R2136 PolarHBondContact O-N 2.8Å; E2120-R2136 WeakPolarHBondContact OE2-CD 3.46Å |
| 2137 | V | 83 | Confident | 78.7 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | trans | -139 | 154 | 177.5 | -73.2 | 0 | 0 | 0 | 0 | 109.2 | T2091 Y2092 A2119 Y2135 Y2143 I2163 | T2091-V2137 CarbonylContact C-O 3.57Å; T2091-V2137 WeakPolarHBondContact CA-O 3.3Å; Y2092-V2137 PolarHBondContact N-O 2.92Å; A2119-V2137 HydrophobicContact CB-CG1 3.65Å; Y2135-V2137 HydrophobicContact CD2-CG1 4.11Å; Y2135-V2137 HydrophobicContact CE2-CG1 4.26Å; V2137-Y2143 HydrophobicContact CB-CE1 4.02Å; V2137-Y2143 HydrophobicContact CG1-CD1 4.03Å; V2137-Y2143 HydrophobicContact CG1-CE1 3.41Å; V2137-Y2143 VanDerWaalsContact CG1-CE1 3.41Å; V2137-Y2143 HydrophobicContact CG2-CE2 4.34Å; V2137-I2163 HydrophobicContact CG2-CB 4.32Å; V2137-I2163 HydrophobicContact CG2-CD1 4.04Å; V2137-I2163 HydrophobicContact CG2-CG1 3.89Å; V2137-I2163 HydrophobicContact CG2-CG2 3.61Å | ||
| 2138 | T | 78.9 | Confident | 79.6 | Confident | 64 Ų | 64 | 31.6 Ų | 31.6 | 39% | 0.393 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -100.4 | -27 | -173.5 | 57.3 | 0 | 0 | 0 | 0 | 113.6 | Y2092 S2117 | Y2092-T2138 HydrophobicContact CD1-CG2 4.16Å; Y2092-T2138 HydrophobicContact CE1-CG2 3.7Å; Y2092-T2138 PolarHBondContact OH-O 2.92Å; S2117-T2138 WeakPolarHBondContact CB-OG1 3.38Å; S2117-T2138 PolarHBondContact OG-N 2.99Å; S2117-T2138 PolarHBondContact OG-OG1 2.95Å |
| 2139 | E | 67.2 | Low | 80.3 | Confident | 103 Ų | 103 | 30 Ų | 30 | 48% | 0.481 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -112.5 | 145.7 | -177.9 | -64.8 | -171.1 | 168.8 | 0 | 0 | 112.5 | T2091 P2116 S2117 Y2143 | T2091-E2139 WeakPolarHBondContact CG2-O 3.29Å; P2116-E2139 HydrophobicContact CB-CB 4.1Å; S2117-E2139 PolarHBondContact OG-N 2.73Å; E2139-Y2143 WeakPolarHBondContact O-CE2 3.26Å; E2139-Y2143 PolarHBondContact O-OH 2.86Å |
| 2140 | P | 70.5 | Confident | 80.9 | Confident | 69 Ų | 69 | 33.9 Ų | 33.9 | 45% | 0.448 | 18% | 0.178 | S | C | . | . | trans | -79.8 | 150.4 | 177.3 | 33.3 | -34 | 0 | 0 | 0 | 111.5 | T2091 I2163 | T2091-P2140 HydrophobicContact CG2-CB 4.07Å; T2091-P2140 VanDerWaalsContact CG2-N 3.34Å; P2140-I2163 CarbonylContact C-O 3.42Å; P2140-I2163 VanDerWaalsContact CA-O 3.31Å; P2140-I2163 WeakPolarHBondContact CA-O 3.34Å; P2140-I2163 WeakPolarHBondContact CB-O 3.28Å | ||
| 2141 | G | 65.9 | Low | 80.9 | Confident | 24 Ų | 24 | 39.1 Ų | 39.1 | 25% | 0.247 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.7 | -173.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | I2163 | G2141-I2163 PolarHBondContact N-O 2.9Å; G2141-I2163 PolarHBondContact O-N 2.86Å |
| 2142 | E | 74.6 | Confident | 80.3 | Confident | 95 Ų | 95 | 44.1 Ų | 44.1 | 44% | 0.444 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 118.9 | 169 | -176.1 | 177.5 | -161.1 | 0 | 0 | 109.2 | R2160 | E2142-R2160 VanDerWaalsContact OE1-CD 3.25Å; E2142-R2160 WeakPolarHBondContact OE1-CD 3.37Å; E2142-R2160 IonicContact OE1-CZ 3.46Å; E2142-R2160 IonicContact OE1-NE 2.88Å; E2142-R2160 IonicContact OE1-NH1 3.16Å; E2142-R2160 PolarHBondContact OE1-NH1 3.32Å; E2142-R2160 IonicContact OE2-NH1 3.38Å |
| 2143 | Y | 83.2 | Confident | 80.1 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 144 | 173.4 | -76.6 | -103 | 0 | 0 | 0 | 110.7 | I2113 E2114 P2116 S2117 V2137 E2139 V2161 I2163 | I2113-Y2143 HydrophobicContact CG2-CD1 3.91Å; E2114-Y2143 CarbonylContact O-C 3.55Å; E2114-Y2143 WeakPolarHBondContact O-CA 3.5Å; E2114-Y2143 WeakPolarHBondContact O-CD1 3.32Å; P2116-Y2143 HydrophobicContact CG-CE2 4.43Å; S2117-Y2143 PolarHBondContact N-OH 2.88Å; S2117-Y2143 VanDerWaalsContact N-OH 3.07Å; S2117-Y2143 WeakPolarHBondContact O-CE1 3.41Å; S2117-Y2143 PolarHBondContact OG-OH 2.9Å; V2137-Y2143 HydrophobicContact CB-CE1 4.02Å; V2137-Y2143 HydrophobicContact CG1-CD1 4.03Å; V2137-Y2143 HydrophobicContact CG1-CE1 3.41Å; V2137-Y2143 VanDerWaalsContact CG1-CE1 3.41Å; V2137-Y2143 HydrophobicContact CG2-CE2 4.34Å; E2139-Y2143 WeakPolarHBondContact O-CE2 3.26Å; E2139-Y2143 PolarHBondContact O-OH 2.86Å; Y2143-V2161 PolarHBondContact N-O 3.24Å; Y2143-V2161 PolarHBondContact O-N 2.87Å; Y2143-I2163 HydrophobicContact CD2-CB 3.76Å; Y2143-I2163 HydrophobicContact CD2-CG1 3.28Å; Y2143-I2163 HydrophobicContact CE2-CB 3.81Å; Y2143-I2163 HydrophobicContact CE2-CG1 3.69Å; Y2143-I2163 HydrophobicContact CE2-CG2 4.31Å; Y2143-I2163 HydrophobicContact CG-CG1 3.96Å |
| 2144 | L | 79.5 | Confident | 80 | Confident | 47 Ų | 47 | 47.3 Ų | 47.3 | 25% | 0.246 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 109.3 | 176.7 | -164.1 | 76.8 | 0 | 0 | 0 | 109.6 | I2113 E2114 P2158 R2160 | I2113-L2144 WeakPolarHBondContact CA-O 3.27Å; E2114-L2144 HydrophobicContact CB-CB 4.36Å; E2114-L2144 PolarHBondContact N-O 2.84Å; E2114-L2144 PolarHBondContact O-N 2.65Å; L2144-P2158 HydrophobicContact CD1-CB 3.84Å; L2144-P2158 HydrophobicContact CD1-CG 4.16Å; L2144-P2158 HydrophobicContact CD2-CB 4.15Å; L2144-P2158 HydrophobicContact CD2-CG 4.43Å; L2144-P2158 HydrophobicContact CG-CB 3.84Å; L2144-P2158 HydrophobicContact CG-CG 4.46Å; L2144-R2160 HydrophobicContact CD1-CG 4.07Å |
| 2145 | C | 86.9 | Confident | 79.1 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 103 | 175.7 | -175.1 | 0 | 0 | 0 | 0 | 110.3 | L2086 A2112 I2113 P2158 F2159 V2161 | L2086-C2145 HydrophobicContact CD2-CB 4.15Å; A2112-C2145 CarbonylContact O-C 3.5Å; A2112-C2145 WeakPolarHBondContact O-CA 3.22Å; I2113-C2145 HydrophobicContact CG1-CB 4.38Å; C2145-P2158 WeakPolarHBondContact O-CA 3.12Å; C2145-F2159 HydrophobicContact CB-CB 4.31Å; C2145-F2159 PolarHBondContact N-O 2.86Å; C2145-F2159 PolarHBondContact O-N 3.11Å; C2145-V2161 HydrophobicContact CB-CG2 4.15Å |
| 2146 | S | 84.9 | Confident | 78 | Confident | 22 Ų | 22 | 53.8 Ų | 53.8 | 15% | 0.154 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 122.5 | 176.1 | -80.4 | 0 | 0 | 0 | 0 | 110.6 | I2111 A2112 | I2111-S2146 CarbonylContact C-O 3.55Å; I2111-S2146 WeakPolarHBondContact CA-O 3.33Å; A2112-S2146 PolarHBondContact N-O 2.99Å; A2112-S2146 PolarHBondContact O-N 3.48Å |
| 2147 | I | 88.8 | Confident | 77.6 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 126 | 170.6 | -52.1 | 174.6 | 0 | 0 | 0 | 108.7 | A2081 L2086 F2097 I2099 L2109 S2110 I2111 H2153 I2154 S2157 F2159 | A2081-I2147 HydrophobicContact CB-CD1 3.78Å; L2086-I2147 HydrophobicContact CD1-CD1 4.33Å; L2086-I2147 HydrophobicContact CD2-CD1 4.16Å; F2097-I2147 HydrophobicContact CD2-CD1 4.41Å; F2097-I2147 HydrophobicContact CE2-CD1 3.57Å; F2097-I2147 HydrophobicContact CZ-CD1 4.1Å; I2099-I2147 HydrophobicContact CD1-CD1 4.1Å; I2099-I2147 HydrophobicContact CD1-CG2 4.02Å; I2099-I2147 HydrophobicContact CG1-CD1 4.37Å; L2109-I2147 HydrophobicContact CD1-CG2 4.01Å; S2110-I2147 CarbonylContact O-C 3.53Å; S2110-I2147 WeakPolarHBondContact O-CA 3.39Å; I2111-I2147 HydrophobicContact CG1-CG1 4.46Å; I2111-I2147 HydrophobicContact CG1-CG2 4.37Å; I2147-H2153 PolarHBondContact O-ND1 3.35Å; I2147-H2153 VanDerWaalsContact O-ND1 3.13Å; I2147-I2154 HydrophobicContact CB-CD1 3.81Å; I2147-I2154 HydrophobicContact CB-CG1 3.92Å; I2147-I2154 HydrophobicContact CD1-CD1 4.17Å; I2147-I2154 HydrophobicContact CG2-CD1 3.62Å; I2147-I2154 HydrophobicContact CG2-CG1 4.02Å; I2147-I2154 HydrophobicContact CG2-CG2 4.13Å; I2147-I2154 PolarHBondContact O-N 3.33Å; I2147-I2154 VanDerWaalsContact O-N 3.16Å; I2147-S2157 PolarHBondContact N-OG 3.16Å; I2147-S2157 WeakPolarHBondContact O-CB 3.34Å; I2147-S2157 PolarHBondContact O-OG 3.32Å; I2147-F2159 HydrophobicContact CD1-CD2 4.25Å; I2147-F2159 HydrophobicContact CD1-CE2 3.89Å; I2147-F2159 HydrophobicContact CG1-CD2 4.5Å; I2147-F2159 HydrophobicContact CG1-CE2 4.34Å |
| 2148 | R | 85.6 | Confident | 77.1 | Confident | 66 Ų | 66 | 52.4 Ų | 52.4 | 25% | 0.249 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 151.3 | 179.3 | -67 | 172 | 178.5 | 176.6 | 6.8 | 110.3 | D1746 S2110 D2151 D2152 H2153 | D1746-R2148 IonicContact OD2-CZ 2.7Å; D1746-R2148 VanDerWaalsContact OD2-CZ 3.29Å; D1746-R2148 IonicContact OD2-NH1 3.92Å; D1746-R2148 PolarHBondContact OD2-NH1 2.95Å; D1746-R2148 IonicContact OD2-NH2 3.72Å; D1746-R2148 PolarHBondContact OD2-NH2 2.85Å; S2110-R2148 PolarHBondContact N-O 3.03Å; S2110-R2148 PolarHBondContact O-N 2.9Å; R2148-D2151 VanDerWaalsContact CD-O 3.26Å; R2148-D2151 WeakPolarHBondContact CD-O 3.41Å; R2148-D2151 WeakPolarHBondContact CG-O 3.44Å; R2148-D2152 CarbonylContact C-O 3.52Å; R2148-D2152 WeakPolarHBondContact CA-O 2.99Å; R2148-D2152 WeakPolarHBondContact CB-O 3.33Å; R2148-H2153 WeakPolarHBondContact CG-ND1 3.35Å; R2148-H2153 PolarHBondContact NE-CE1 2.92Å; R2148-H2153 PolarHBondContact NE-NE2 3.19Å; R2148-H2153 PolarHBondContact NH2-NE2 3.48Å |
| 2149 | F | 83.5 | Confident | 77.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 117.4 | 176.2 | 179.3 | -91.9 | 0 | 0 | 0 | 109.9 | R1986 A2076 V2079 A2104 G2108 L2109 D2152 I2154 | R1986-F2149 HydrophobicContact CB-CE2 4.19Å; R1986-F2149 HydrophobicContact CG-CE2 4Å; A2076-F2149 HydrophobicContact CB-CB 4.09Å; A2076-F2149 HydrophobicContact CB-CD1 4.47Å; V2079-F2149 HydrophobicContact CG2-CB 3.9Å; V2079-F2149 HydrophobicContact CG2-CD1 4.04Å; V2079-F2149 HydrophobicContact CG2-CD2 3.99Å; V2079-F2149 HydrophobicContact CG2-CG 3.7Å; A2104-F2149 HydrophobicContact CB-CD1 4.32Å; A2104-F2149 HydrophobicContact CB-CE1 3.83Å; A2104-F2149 HydrophobicContact CB-CZ 3.99Å; G2108-F2149 CarbonylContact O-C 3.52Å; G2108-F2149 WeakPolarHBondContact O-CA 3.33Å; L2109-F2149 HydrophobicContact CB-CD2 4.17Å; L2109-F2149 HydrophobicContact CD1-CB 4.44Å; L2109-F2149 HydrophobicContact CD1-CD2 4.24Å; F2149-D2152 PolarHBondContact N-O 2.77Å; F2149-I2154 HydrophobicContact CB-CG2 4.16Å |
| 2150 | N | 81.5 | Confident | 77.5 | Confident | 80 Ų | 80 | 53.3 Ų | 53.3 | 43% | 0.428 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 45.5 | -159.9 | -64 | -31.4 | 0 | 0 | 0 | 111.3 | G2107 G2108 D2152 | G2107-N2150 WeakPolarHBondContact CA-OD1 3.41Å; G2108-N2150 PolarHBondContact N-OD1 2.84Å; G2108-N2150 PolarHBondContact O-N 2.8Å; N2150-D2152 PolarHBondContact O-N 2.82Å |
| 2151 | D | 76 | Confident | 77.9 | Confident | 115 Ų | 115 | 50 Ų | 50 | 62% | 0.615 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | -12 | -178.2 | -61 | -59 | 0 | 0 | 0 | 117.1 | R2148 | R2148-D2151 VanDerWaalsContact CD-O 3.26Å; R2148-D2151 WeakPolarHBondContact CD-O 3.41Å; R2148-D2151 WeakPolarHBondContact CG-O 3.44Å |
| 2152 | D | 71.2 | Confident | 78.3 | Confident | 105 Ų | 105 | 53.1 Ų | 53.1 | 56% | 0.561 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 137.1 | 167 | -75.9 | -35.3 | 0 | 0 | 0 | 112.3 | A2076 R2148 F2149 N2150 | A2076-D2152 HydrophobicContact CB-CB 3.64Å; R2148-D2152 CarbonylContact C-O 3.52Å; R2148-D2152 WeakPolarHBondContact CA-O 2.99Å; R2148-D2152 WeakPolarHBondContact CB-O 3.33Å; F2149-D2152 PolarHBondContact N-O 2.77Å; N2150-D2152 PolarHBondContact O-N 2.82Å |
| 2153 | H | 77.3 | Confident | 78.4 | Confident | 70 Ų | 70 | 48.7 Ų | 48.7 | 32% | 0.324 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 138.3 | 173.8 | -88 | -63.3 | 0 | 0 | 0 | 112.8 | I2147 R2148 S2157 | I2147-H2153 PolarHBondContact O-ND1 3.35Å; I2147-H2153 VanDerWaalsContact O-ND1 3.13Å; R2148-H2153 WeakPolarHBondContact CG-ND1 3.35Å; R2148-H2153 PolarHBondContact NE-CE1 2.92Å; R2148-H2153 PolarHBondContact NE-NE2 3.19Å; R2148-H2153 PolarHBondContact NH2-NE2 3.48Å; H2153-S2157 PolarHBondContact CE1-OG 2.56Å; H2153-S2157 PolarHBondContact ND1-OG 2.7Å |
| 2154 | I | 82.7 | Confident | 77.5 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 159.5 | 174.3 | 75.6 | 165.9 | 0 | 0 | 0 | 110.9 | V2079 A2081 I2147 F2149 N2156 S2157 F2159 | V2079-I2154 HydrophobicContact CB-CB 4.24Å; V2079-I2154 HydrophobicContact CB-CG2 3.71Å; V2079-I2154 HydrophobicContact CG1-CB 4.4Å; V2079-I2154 HydrophobicContact CG1-CD1 4.17Å; V2079-I2154 HydrophobicContact CG1-CG2 3.78Å; V2079-I2154 HydrophobicContact CG2-CG2 4.41Å; A2081-I2154 HydrophobicContact CB-CD1 3.53Å; I2147-I2154 HydrophobicContact CB-CD1 3.81Å; I2147-I2154 HydrophobicContact CB-CG1 3.92Å; I2147-I2154 HydrophobicContact CD1-CD1 4.17Å; I2147-I2154 HydrophobicContact CG2-CD1 3.62Å; I2147-I2154 HydrophobicContact CG2-CG1 4.02Å; I2147-I2154 HydrophobicContact CG2-CG2 4.13Å; I2147-I2154 PolarHBondContact O-N 3.33Å; I2147-I2154 VanDerWaalsContact O-N 3.16Å; F2149-I2154 HydrophobicContact CB-CG2 4.16Å; I2154-N2156 PolarHBondContact O-N 3.22Å; I2154-S2157 VanDerWaalsContact O-CB 3.25Å; I2154-S2157 WeakPolarHBondContact O-CB 3.43Å; I2154-S2157 PolarHBondContact O-N 3.4Å; I2154-F2159 HydrophobicContact CD1-CE2 4.26Å; I2154-F2159 HydrophobicContact CD1-CZ 4.45Å; I2154-F2159 HydrophobicContact CG1-CE2 4.37Å |
| 2155 | P | 67.1 | Low | 76.7 | Confident | 52 Ų | 52 | 52.7 Ų | 52.7 | 34% | 0.338 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 128.2 | 177.5 | -29 | 36.2 | 0 | 0 | 0 | 113.9 | A2076 V2079 S2157 | A2076-P2155 WeakPolarHBondContact O-CD 3.33Å; V2079-P2155 WeakPolarHBondContact O-CD 3.49Å; P2155-S2157 VanDerWaalsContact C-N 3.26Å; P2155-S2157 PolarHBondContact O-N 2.79Å |
| 2156 | N | 65.1 | Low | 75.2 | Confident | 106 Ų | 106 | 53.3 Ų | 53.3 | 57% | 0.567 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 4.6 | -175.7 | -34.8 | -79.2 | 0 | 0 | 0 | 116.1 | I2154 F2159 | I2154-N2156 PolarHBondContact O-N 3.22Å; N2156-F2159 HydrophobicContact CB-CE1 3.87Å; N2156-F2159 HydrophobicContact CB-CZ 4.21Å |
| 2157 | S | 75.4 | Confident | 73.3 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 13% | 0.133 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -80.7 | 147.8 | 164 | -179.7 | 0 | 0 | 0 | 0 | 110.9 | I2147 H2153 I2154 P2155 | I2147-S2157 PolarHBondContact N-OG 3.16Å; I2147-S2157 WeakPolarHBondContact O-CB 3.34Å; I2147-S2157 PolarHBondContact O-OG 3.32Å; H2153-S2157 PolarHBondContact CE1-OG 2.56Å; H2153-S2157 PolarHBondContact ND1-OG 2.7Å; I2154-S2157 VanDerWaalsContact O-CB 3.25Å; I2154-S2157 WeakPolarHBondContact O-CB 3.43Å; I2154-S2157 PolarHBondContact O-N 3.4Å; P2155-S2157 VanDerWaalsContact C-N 3.26Å; P2155-S2157 PolarHBondContact O-N 2.79Å |
| 2158 | P | 73.4 | Confident | 71.1 | Confident | 59 Ų | 59 | 65.7 Ų | 65.7 | 38% | 0.383 | 33% | 0.329 | S | S | . | . | S | Bend | cis | -72.1 | 134 | -7.8 | 30 | -35.1 | 0 | 0 | 0 | 113.3 | L2144 C2145 | L2144-P2158 HydrophobicContact CD1-CB 3.84Å; L2144-P2158 HydrophobicContact CD1-CG 4.16Å; L2144-P2158 HydrophobicContact CD2-CB 4.15Å; L2144-P2158 HydrophobicContact CD2-CG 4.43Å; L2144-P2158 HydrophobicContact CG-CB 3.84Å; L2144-P2158 HydrophobicContact CG-CG 4.46Å; C2145-P2158 WeakPolarHBondContact O-CA 3.12Å |
| 2159 | F | 79.6 | Confident | 68.5 | Low | 28 Ų | 28 | 68.2 Ų | 68.2 | 12% | 0.123 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 135.7 | 176.6 | -58.6 | -94.2 | 0 | 0 | 0 | 109.7 | A2081 L2086 C2145 I2147 I2154 N2156 V2161 | A2081-F2159 HydrophobicContact CB-CE2 4.39Å; A2081-F2159 HydrophobicContact CB-CZ 4.15Å; L2086-F2159 HydrophobicContact CB-CB 4.5Å; L2086-F2159 HydrophobicContact CB-CD1 4.07Å; L2086-F2159 HydrophobicContact CB-CG 4.26Å; L2086-F2159 HydrophobicContact CD1-CD1 4.47Å; L2086-F2159 HydrophobicContact CD1-CE1 4.31Å; L2086-F2159 HydrophobicContact CD1-CE2 4.37Å; L2086-F2159 HydrophobicContact CD1-CZ 4.28Å; L2086-F2159 HydrophobicContact CD2-CB 4.22Å; L2086-F2159 HydrophobicContact CD2-CD2 3.98Å; L2086-F2159 HydrophobicContact CD2-CG 4.02Å; C2145-F2159 HydrophobicContact CB-CB 4.31Å; C2145-F2159 PolarHBondContact N-O 2.86Å; C2145-F2159 PolarHBondContact O-N 3.11Å; I2147-F2159 HydrophobicContact CD1-CD2 4.25Å; I2147-F2159 HydrophobicContact CD1-CE2 3.89Å; I2147-F2159 HydrophobicContact CG1-CD2 4.5Å; I2147-F2159 HydrophobicContact CG1-CE2 4.34Å; I2154-F2159 HydrophobicContact CD1-CE2 4.26Å; I2154-F2159 HydrophobicContact CD1-CZ 4.45Å; I2154-F2159 HydrophobicContact CG1-CE2 4.37Å; N2156-F2159 HydrophobicContact CB-CE1 3.87Å; N2156-F2159 HydrophobicContact CB-CZ 4.21Å; F2159-V2161 HydrophobicContact CB-CG2 4.5Å |
| 2160 | R | 75.4 | Confident | 65.8 | Low | 159 Ų | 159 | 71.5 Ų | 71.5 | 60% | 0.6 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 123.9 | 169.2 | -69.5 | 170.7 | -179.4 | -117.8 | 3.3 | 108.4 | E2142 L2144 | E2142-R2160 VanDerWaalsContact OE1-CD 3.25Å; E2142-R2160 WeakPolarHBondContact OE1-CD 3.37Å; E2142-R2160 IonicContact OE1-CZ 3.46Å; E2142-R2160 IonicContact OE1-NE 2.88Å; E2142-R2160 IonicContact OE1-NH1 3.16Å; E2142-R2160 PolarHBondContact OE1-NH1 3.32Å; E2142-R2160 IonicContact OE2-NH1 3.38Å; L2144-R2160 HydrophobicContact CD1-CG 4.07Å |
| 2161 | V | 77.6 | Confident | 63.3 | Low | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 123.9 | -176.6 | -165.8 | 0 | 0 | 0 | 0 | 109.1 | Y2135 Y2143 C2145 F2159 I2163 | Y2135-V2161 WeakPolarHBondContact OH-CG1 3.17Å; Y2143-V2161 PolarHBondContact N-O 3.24Å; Y2143-V2161 PolarHBondContact O-N 2.87Å; C2145-V2161 HydrophobicContact CB-CG2 4.15Å; F2159-V2161 HydrophobicContact CB-CG2 4.5Å; V2161-I2163 HydrophobicContact CG1-CD1 4.33Å |
| 2162 | I | 75.3 | Confident | 60.9 | Low | 88 Ų | 88 | 72.4 Ų | 72.4 | 45% | 0.451 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 114.8 | 174.9 | -62.9 | -177.4 | 0 | 0 | 0 | 109.2 | Q2087 N2088 G2089 | Q2087-I2162 PolarHBondContact O-N 3.5Å; N2088-I2162 CarbonylContact C-O 3.58Å; N2088-I2162 WeakPolarHBondContact CA-O 3.49Å; G2089-I2162 PolarHBondContact N-O 3.35Å |
| 2163 | I | 76.2 | Confident | 58.9 | Low | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 117.4 | 172.9 | -60.3 | -62.9 | 0 | 0 | 0 | 108 | G2089 T2091 Y2135 V2137 P2140 G2141 Y2143 V2161 | G2089-I2163 WeakPolarHBondContact O-CA 3.3Å; T2091-I2163 HydrophobicContact CG2-CG2 3.69Å; Y2135-I2163 HydrophobicContact CE2-CD1 4.11Å; V2137-I2163 HydrophobicContact CG2-CB 4.32Å; V2137-I2163 HydrophobicContact CG2-CD1 4.04Å; V2137-I2163 HydrophobicContact CG2-CG1 3.89Å; V2137-I2163 HydrophobicContact CG2-CG2 3.61Å; P2140-I2163 CarbonylContact C-O 3.42Å; P2140-I2163 VanDerWaalsContact CA-O 3.31Å; P2140-I2163 WeakPolarHBondContact CA-O 3.34Å; P2140-I2163 WeakPolarHBondContact CB-O 3.28Å; G2141-I2163 PolarHBondContact N-O 2.9Å; G2141-I2163 PolarHBondContact O-N 2.86Å; Y2143-I2163 HydrophobicContact CD2-CB 3.76Å; Y2143-I2163 HydrophobicContact CD2-CG1 3.28Å; Y2143-I2163 HydrophobicContact CE2-CB 3.81Å; Y2143-I2163 HydrophobicContact CE2-CG1 3.69Å; Y2143-I2163 HydrophobicContact CE2-CG2 4.31Å; Y2143-I2163 HydrophobicContact CG-CG1 3.96Å; V2161-I2163 HydrophobicContact CG1-CD1 4.33Å |
| 2164 | N | 65.5 | Low | 56.6 | Low | 48 Ų | 48 | 71.6 Ų | 71.6 | 26% | 0.257 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 162.9 | 173.4 | -57.6 | -84 | 0 | 0 | 0 | 110.1 | G2089 L2090 T2091 | G2089-N2164 PolarHBondContact O-N 3.11Å; L2090-N2164 CarbonylContact C-O 3.55Å; L2090-N2164 VanDerWaalsContact CA-O 3.3Å; L2090-N2164 WeakPolarHBondContact CA-O 3.49Å; L2090-N2164 HydrophobicContact CD2-CB 4.05Å; T2091-N2164 PolarHBondContact N-O 3.1Å |
| 2165 | E | 61.2 | Low | 54 | Low | 84 Ų | 84 | 78 Ų | 78 | 39% | 0.393 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 131.3 | 174.1 | -170.3 | 178.4 | -150.7 | 0 | 0 | 110.4 | T2091 M2167 R2253 | T2091-E2165 WeakPolarHBondContact OG1-CA 3.2Å; E2165-M2167 PolarHBondContact O-N 3.43Å; E2165-R2253 IonicContact OE2-CZ 3.48Å; E2165-R2253 IonicContact OE2-NH1 3.41Å; E2165-R2253 PolarHBondContact OE2-NH1 2.84Å; E2165-R2253 IonicContact OE2-NH2 3.62Å; E2165-R2253 PolarHBondContact OE2-NH2 2.91Å |
| 2166 | A | 56 | Low | 52.4 | Low | 13 Ų | 13 | 82 Ų | 82 | 11% | 0.107 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 125.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L2090 T2091 E2168 | L2090-A2166 HydrophobicContact CB-CB 4.31Å; T2091-A2166 WeakPolarHBondContact O-CB 3.47Å; T2091-A2166 PolarHBondContact OG1-N 2.88Å; A2166-E2168 PolarHBondContact O-N 2.81Å |
| 2167 | M | 44.6 | Very low | 51 | Low | 117 Ų | 117 | 83.5 Ų | 83.5 | 58% | 0.576 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -75.9 | -2.4 | -173.4 | -154.5 | 172.3 | -177.9 | 0 | 0 | 114 | E2165 R2169 T2170 | E2165-M2167 PolarHBondContact O-N 3.43Å; M2167-R2169 PolarHBondContact O-N 2.76Å; M2167-T2170 PolarHBondContact O-N 3Å |
| 2168 | E | 42.8 | Very low | 49.2 | Very low | 165 Ų | 165 | 88.7 Ų | 88.7 | 77% | 0.771 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -65.6 | 4.5 | 175.3 | -60.9 | -176.3 | 142.2 | 0 | 0 | 113.6 | A2166 | A2166-E2168 PolarHBondContact O-N 2.81Š|
| 2169 | R | 30.9 | Very low | 47.9 | Very low | 119 Ų | 119 | 88 Ų | 88 | 45% | 0.449 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -98.7 | 26.2 | 171 | -76.4 | -161.7 | 161.9 | 168.6 | -0.2 | 116 | N113 M2167 | N113-R2169 HydrophobicContact CB-CG 4.05Å; N113-R2169 VanDerWaalsContact CG-CA 3.44Å; N113-R2169 VanDerWaalsContact CG-O 3.28Å; N113-R2169 WeakPolarHBondContact ND2-CB 3.23Å; N113-R2169 PolarHBondContact ND2-O 2.8Å; N113-R2169 WeakPolarHBondContact OD1-CA 3.12Å; N113-R2169 PolarHBondContact OD1-O 2.81Å; M2167-R2169 PolarHBondContact O-N 2.76Å |
| 2170 | T | 28.1 | Very low | 46.3 | Very low | 70 Ų | 70 | 91.3 Ų | 91.3 | 43% | 0.429 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -153.2 | 129 | 152 | 45.8 | 0 | 0 | 0 | 0 | 113.9 | N113 M2167 | N113-T2170 PolarHBondContact OD1-N 2.77Å; M2167-T2170 PolarHBondContact O-N 3Å |
| 2171 | F | 28 | Very low | 45.2 | Very low | 103 Ų | 103 | 85.8 Ų | 85.8 | 45% | 0.452 | 43% | 0.431 | S | S | . | . | trans | 73.3 | 122.1 | 160.8 | -53.9 | -59.8 | 0 | 0 | 0 | 121.4 | R110 V112 M2204 | R110-F2171 HydrophobicContact CB-CD1 4.2Å; R110-F2171 HydrophobicContact CG-CB 4.48Å; R110-F2171 HydrophobicContact CG-CD1 3.92Å; R110-F2171 VanDerWaalsContact NH1-CD1 3.3Å; V112-F2171 HydrophobicContact CG2-CD1 4.31Å; F2171-M2204 HydrophobicContact CE2-SD 4.46Å | ||
| 2172 | Y | 26.3 | Very low | 43.9 | Very low | 111 Ų | 111 | 89 Ų | 89 | 44% | 0.435 | 45% | 0.451 | S | S | . | . | trans | -97.5 | 129.2 | 154 | -93.9 | -79.6 | 0 | 0 | 0 | 113 | E104 R110 L111 | E104-Y2172 VanDerWaalsContact CD-CE1 3.46Å; E104-Y2172 HydrophobicContact CG-CD1 3.56Å; E104-Y2172 HydrophobicContact CG-CD2 4.35Å; E104-Y2172 HydrophobicContact CG-CE1 4.17Å; E104-Y2172 HydrophobicContact CG-CG 3.63Å; E104-Y2172 WeakPolarHBondContact OE1-CD2 3.38Å; E104-Y2172 WeakPolarHBondContact OE1-CE2 3.4Å; E104-Y2172 VanDerWaalsContact OE2-CE1 3.3Å; E104-Y2172 WeakPolarHBondContact OE2-CE1 3.18Å; R110-Y2172 VanDerWaalsContact CA-O 3.3Å; R110-Y2172 WeakPolarHBondContact CA-O 3.33Å; R110-Y2172 WeakPolarHBondContact CG-O 3.46Å; L111-Y2172 HydrophobicContact CB-CD2 3.94Å; L111-Y2172 PolarHBondContact O-N 2.76Å | ||
| 2173 | T | 28.5 | Very low | 42.6 | Very low | 54 Ų | 54 | 89.5 Ų | 89.5 | 33% | 0.331 | 46% | 0.462 | S | S | . | . | trans | -169.8 | 136.3 | 151.9 | 10.5 | 0 | 0 | 0 | 0 | 109 | R110 E2175 | R110-T2173 HydrophobicContact CG-CG2 4.11Å; R110-T2173 VanDerWaalsContact CZ-OG1 3.24Å; R110-T2173 PolarHBondContact NE-OG1 2.82Å; R110-T2173 PolarHBondContact NH2-OG1 2.98Å; T2173-E2175 VanDerWaalsContact C-N 3.26Å; T2173-E2175 PolarHBondContact O-N 2.99Å | ||
| 2174 | P | 28.7 | Very low | 41.7 | Very low | 103 Ų | 103 | 91.3 Ų | 91.3 | 67% | 0.669 | 47% | 0.472 | S | S | * | . | trans | -80.1 | 66.9 | -178.2 | 33.4 | -36.3 | 0 | 0 | 0 | 112.7 | ||||
| 2175 | E | 29.4 | Very low | 41.5 | Very low | 137 Ų | 137 | 94.6 Ų | 94.6 | 64% | 0.64 | 49% | 0.485 | S | S | * | . | trans | -125.5 | 114.6 | 159.4 | -82.6 | -161 | 154.5 | 0 | 0 | 110.7 | T2173 K2177 | T2173-E2175 VanDerWaalsContact C-N 3.26Å; T2173-E2175 PolarHBondContact O-N 2.99Å; E2175-K2177 PolarHBondContact O-N 3.5Å; E2175-K2177 IonicContact OE2-NZ 2.74Å; E2175-K2177 PolarHBondContact OE2-NZ 2.75Å | ||
| 2176 | T | 33.6 | Very low | 41.1 | Very low | 136 Ų | 136 | 95 Ų | 95 | 83% | 0.834 | 49% | 0.49 | S | S | * | . | trans | -74 | 64.7 | 172.2 | 39.6 | 0 | 0 | 0 | 0 | 111.5 | L2178 | T2176-L2178 PolarHBondContact O-N 2.76Š| ||
| 2177 | K | 35.3 | Very low | 40.7 | Very low | 139 Ų | 139 | 101.4 Ų | 101.4 | 60% | 0.604 | 51% | 0.511 | S | S | * | . | trans | -71.2 | 81.6 | 162.3 | -75.7 | -170 | 168.3 | 97.9 | 0 | 108.7 | E2175 L2179 | E2175-K2177 PolarHBondContact O-N 3.5Å; E2175-K2177 IonicContact OE2-NZ 2.74Å; E2175-K2177 PolarHBondContact OE2-NZ 2.75Å; K2177-L2179 PolarHBondContact O-N 3.15Å | ||
| 2178 | L | 37.7 | Very low | 41.2 | Very low | 128 Ų | 128 | 98.9 Ų | 98.9 | 67% | 0.67 | 52% | 0.515 | S | S | * | . | trans | -50.9 | 135.9 | 177.9 | -81.3 | 100.1 | 0 | 0 | 0 | 110.5 | T2176 N2180 | T2176-L2178 PolarHBondContact O-N 2.76Å; L2178-N2180 HydrophobicContact CB-CB 4.16Å; L2178-N2180 WeakPolarHBondContact O-CB 3.35Å; L2178-N2180 PolarHBondContact O-N 3.21Å | ||
| 2179 | L | 44.5 | Very low | 42.2 | Very low | 45 Ų | 45 | 92 Ų | 92 | 24% | 0.236 | 48% | 0.484 | C | S | . | . | trans | -68.7 | 81.3 | 163.6 | -150.3 | 172.8 | 0 | 0 | 0 | 107.7 | K2177 I2181 V2199 Y2201 V2255 P2256 | K2177-L2179 PolarHBondContact O-N 3.15Å; L2179-I2181 PolarHBondContact O-N 2.76Å; L2179-V2199 HydrophobicContact CD2-CG1 3.63Å; L2179-Y2201 HydrophobicContact CD1-CD2 3.94Å; L2179-Y2201 HydrophobicContact CD1-CE2 3.88Å; L2179-Y2201 HydrophobicContact CD2-CD2 4.32Å; L2179-Y2201 HydrophobicContact CG-CD2 3.87Å; L2179-Y2201 HydrophobicContact CG-CE2 4.25Å; L2179-V2255 HydrophobicContact CD1-CB 4.27Å; L2179-P2256 HydrophobicContact CD1-CB 3.94Å; L2179-P2256 HydrophobicContact CD1-CG 3.84Å | ||
| 2180 | N | 46.5 | Very low | 43.6 | Very low | 97 Ų | 97 | 88.7 Ų | 88.7 | 52% | 0.519 | 48% | 0.479 | S | S | . | . | trans | -95.8 | 104.9 | -158.7 | -160 | -3 | 0 | 0 | 0 | 110.8 | L2178 T2182 | L2178-N2180 HydrophobicContact CB-CB 4.16Å; L2178-N2180 WeakPolarHBondContact O-CB 3.35Å; L2178-N2180 PolarHBondContact O-N 3.21Å; N2180-T2182 PolarHBondContact O-N 2.54Å | ||
| 2181 | I | 52.9 | Low | 45.2 | Very low | 43 Ų | 43 | 88.6 Ų | 88.6 | 22% | 0.221 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 104.9 | -180 | -59.5 | 172.9 | 0 | 0 | 0 | 108.6 | L2179 S2183 I2184 F2197 F2260 | L2179-I2181 PolarHBondContact O-N 2.76Å; I2181-S2183 VanDerWaalsContact C-N 3.29Å; I2181-S2183 PolarHBondContact O-N 2.85Å; I2181-I2184 HydrophobicContact CD1-CD1 4.21Å; I2181-I2184 HydrophobicContact CG2-CB 4.2Å; I2181-I2184 HydrophobicContact CG2-CD1 3.9Å; I2181-I2184 HydrophobicContact CG2-CG1 3.67Å; I2181-F2197 HydrophobicContact CG2-CD2 4.21Å; I2181-F2260 HydrophobicContact CD1-CD1 3.77Å; I2181-F2260 HydrophobicContact CD1-CE1 3.2Å; I2181-F2260 HydrophobicContact CD1-CE2 4.37Å; I2181-F2260 HydrophobicContact CD1-CZ 3.56Å |
| 2182 | T | 49.6 | Very low | 46.5 | Very low | 67 Ų | 67 | 86 Ų | 86 | 41% | 0.411 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 89.9 | 173.1 | 13.4 | 0 | 0 | 0 | 0 | 109.9 | N2180 T2198 N2200 | N2180-T2182 PolarHBondContact O-N 2.54Å; T2182-T2198 PolarHBondContact N-O 2.75Å; T2182-T2198 VanDerWaalsContact N-O 3.11Å; T2182-T2198 PolarHBondContact OG1-O 2.86Å; T2182-N2200 PolarHBondContact OG1-ND2 2.69Å |
| 2183 | S | 49.4 | Very low | 48.1 | Very low | 99 Ų | 99 | 89.1 Ų | 89.1 | 69% | 0.692 | 49% | 0.492 | S | S | * | . | trans | 48.1 | 87 | 177.7 | 57.5 | 0 | 0 | 0 | 0 | 115.2 | I2181 Q2185 | I2181-S2183 VanDerWaalsContact C-N 3.29Å; I2181-S2183 PolarHBondContact O-N 2.85Å; S2183-Q2185 PolarHBondContact O-N 2.97Å | ||
| 2184 | I | 56.4 | Low | 49.5 | Very low | 40 Ų | 40 | 92 Ų | 92 | 21% | 0.205 | 51% | 0.511 | C | S | . | . | trans | -63.1 | 128.9 | 147.3 | -89.2 | 169.9 | 0 | 0 | 0 | 107.4 | I2181 D2186 F2197 F2260 V2262 | I2181-I2184 HydrophobicContact CD1-CD1 4.21Å; I2181-I2184 HydrophobicContact CG2-CB 4.2Å; I2181-I2184 HydrophobicContact CG2-CD1 3.9Å; I2181-I2184 HydrophobicContact CG2-CG1 3.67Å; I2184-D2186 VanDerWaalsContact C-N 3.28Å; I2184-D2186 HydrophobicContact CG2-CB 4.02Å; I2184-D2186 PolarHBondContact O-N 2.93Å; I2184-D2186 VanDerWaalsContact O-N 3.11Å; I2184-F2197 HydrophobicContact CB-CB 4.47Å; I2184-F2197 HydrophobicContact CD1-CD1 4.22Å; I2184-F2197 HydrophobicContact CD1-CD2 3.87Å; I2184-F2197 HydrophobicContact CD1-CE1 4.27Å; I2184-F2197 HydrophobicContact CD1-CE2 3.93Å; I2184-F2197 HydrophobicContact CD1-CG 4.02Å; I2184-F2197 HydrophobicContact CD1-CZ 4.13Å; I2184-F2197 HydrophobicContact CG1-CB 3.54Å; I2184-F2197 HydrophobicContact CG1-CD1 3.75Å; I2184-F2197 HydrophobicContact CG1-CD2 3.65Å; I2184-F2197 HydrophobicContact CG1-CE1 4.3Å; I2184-F2197 HydrophobicContact CG1-CE2 4.22Å; I2184-F2197 HydrophobicContact CG1-CG 3.38Å; I2184-F2260 HydrophobicContact CD1-CB 3.78Å; I2184-F2260 HydrophobicContact CD1-CD1 4.08Å; I2184-F2260 HydrophobicContact CD1-CD2 4.47Å; I2184-F2260 HydrophobicContact CD1-CG 3.85Å; I2184-V2262 HydrophobicContact CG2-CG2 4.34Å | ||
| 2185 | Q | 61.1 | Low | 51.2 | Low | 117 Ų | 117 | 87.6 Ų | 87.6 | 55% | 0.547 | 48% | 0.482 | S | S | . | . | trans | -82.8 | 79.7 | 169.6 | -172.1 | 167.6 | 11.2 | 0 | 0 | 108.2 | S2183 R2187 L2189 | S2183-Q2185 PolarHBondContact O-N 2.97Å; Q2185-R2187 PolarHBondContact O-N 3.06Å; Q2185-L2189 HydrophobicContact CB-CD2 4.3Å; Q2185-L2189 HydrophobicContact CG-CD2 4.16Å; Q2185-L2189 HydrophobicContact CG-CG 4.41Å; Q2185-L2189 WeakPolarHBondContact O-CD1 3.18Å | ||
| 2186 | D | 52.8 | Low | 53.1 | Low | 93 Ų | 93 | 83.8 Ų | 83.8 | 50% | 0.497 | 48% | 0.475 | S | S | . | . | trans | -64.4 | -22.4 | -172.5 | 67.7 | -26.5 | 0 | 0 | 0 | 114 | I2184 L2263 | I2184-D2186 VanDerWaalsContact C-N 3.28Å; I2184-D2186 HydrophobicContact CG2-CB 4.02Å; I2184-D2186 PolarHBondContact O-N 2.93Å; I2184-D2186 VanDerWaalsContact O-N 3.11Å; D2186-L2263 VanDerWaalsContact O-CB 3.29Å; D2186-L2263 WeakPolarHBondContact O-CB 3.39Å; D2186-L2263 PolarHBondContact O-N 3.02Å; D2186-L2263 VanDerWaalsContact O-N 3.16Å | ||
| 2187 | R | 48.1 | Very low | 54.8 | Low | 146 Ų | 146 | 77.7 Ų | 77.7 | 55% | 0.551 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -137.7 | 149.7 | -179.8 | -67.4 | -176.9 | 159.9 | 176.4 | -7 | 112.6 | Q2185 L2263 E2267 | Q2185-R2187 PolarHBondContact O-N 3.06Å; R2187-L2263 HydrophobicContact CG-CD2 4.25Å; R2187-E2267 IonicContact CZ-OE2 3.83Å; R2187-E2267 IonicContact NH2-OE2 3.4Å; R2187-E2267 PolarHBondContact NH2-OE2 2.96Å |
| 2188 | G | 53.7 | Low | 56.3 | Low | 64 Ų | 64 | 72.6 Ų | 72.6 | 66% | 0.66 | 42% | 0.417 | S | S | * | . | S | Bend | trans | 89.9 | 12.8 | 176 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 2189 | L | 64.4 | Low | 57.8 | Low | 20 Ų | 20 | 66.5 Ų | 66.5 | 11% | 0.105 | 39% | 0.385 | C | S | . | . | B | Isolated β-bridge | trans | -79.6 | 154.7 | 172.1 | -63.4 | 172.2 | 0 | 0 | 0 | 111.6 | Q2185 T2195 V2262 V2264 G2265 | Q2185-L2189 HydrophobicContact CB-CD2 4.3Å; Q2185-L2189 HydrophobicContact CG-CD2 4.16Å; Q2185-L2189 HydrophobicContact CG-CG 4.41Å; Q2185-L2189 WeakPolarHBondContact O-CD1 3.18Å; L2189-T2195 HydrophobicContact CD1-CG2 3.59Å; L2189-T2195 HydrophobicContact CD2-CG2 3.93Å; L2189-T2195 HydrophobicContact CG-CG2 4.42Å; L2189-V2262 HydrophobicContact CD1-CG1 3.25Å; L2189-V2264 HydrophobicContact CB-CG2 4.36Å; L2189-G2265 PolarHBondContact O-N 3.04Å; L2189-G2265 VanDerWaalsContact O-N 3.14Å |
| 2190 | S | 60.8 | Low | 58.8 | Low | 50 Ų | 50 | 66.1 Ų | 66.1 | 35% | 0.35 | 38% | 0.383 | S | S | . | . | trans | -133.9 | 139.3 | -174.9 | 65.4 | 0 | 0 | 0 | 0 | 111.8 | R2193 | S2190-R2193 PolarHBondContact O-N 3.49Å; S2190-R2193 WeakPolarHBondContact OG-CD 3.26Å; S2190-R2193 WeakPolarHBondContact OG-CG 3.27Å | ||
| 2191 | V | 60.6 | Low | 59.6 | Low | 69 Ų | 69 | 63.1 Ų | 63.1 | 42% | 0.418 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.5 | 136.1 | 173.3 | 172.5 | 0 | 0 | 0 | 0 | 112.8 | R2193 P2238 H2239 E2240 N2241 V2264 | V2191-R2193 VanDerWaalsContact C-N 3.28Å; V2191-R2193 PolarHBondContact O-N 3.27Å; V2191-P2238 WeakPolarHBondContact CA-O 3.39Å; V2191-H2239 WeakPolarHBondContact CG1-O 3.27Å; V2191-E2240 VanDerWaalsContact CG2-O 3.24Å; V2191-E2240 WeakPolarHBondContact CG2-O 3.42Å; V2191-N2241 WeakPolarHBondContact CG2-OD1 3.27Å; V2191-V2264 HydrophobicContact CG2-CG1 4.22Å |
| 2192 | G | 56.5 | Low | 59.5 | Low | 49 Ų | 49 | 64.2 Ų | 64.2 | 51% | 0.505 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 5.6 | 174 | 0 | 0 | 0 | 0 | 0 | 115.4 | P2238 | G2192-P2238 PolarHBondContact N-O 3.11Š|
| 2193 | R | 58.7 | Low | 59.2 | Low | 176 Ų | 176 | 64.1 Ų | 64.1 | 66% | 0.664 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -101.6 | 128.5 | 169.8 | -71.3 | -164.7 | 175.7 | -170 | -1.3 | 111.6 | S2190 V2191 T2195 P2238 | S2190-R2193 PolarHBondContact O-N 3.49Å; S2190-R2193 WeakPolarHBondContact OG-CD 3.26Å; S2190-R2193 WeakPolarHBondContact OG-CG 3.27Å; V2191-R2193 VanDerWaalsContact C-N 3.28Å; V2191-R2193 PolarHBondContact O-N 3.27Å; R2193-T2195 PolarHBondContact O-N 3.17Å; R2193-T2195 PolarHBondContact O-OG1 2.65Å; R2193-P2238 WeakPolarHBondContact O-CD 3.47Å |
| 2194 | P | 58.1 | Low | 59.1 | Low | 113 Ų | 113 | 63.8 Ų | 63.8 | 73% | 0.734 | 38% | 0.377 | S | S | * | . | trans | -56.3 | 124.6 | 171.1 | -26.1 | 35.3 | 0 | 0 | 0 | 111.5 | ||||
| 2195 | T | 64.9 | Low | 58.9 | Low | 11 Ų | 11 | 68.9 Ų | 68.9 | 7% | 0.067 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 144.1 | 178.4 | -61.3 | 0 | 0 | 0 | 0 | 109 | L2189 R2193 R2235 F2236 | L2189-T2195 HydrophobicContact CD1-CG2 3.59Å; L2189-T2195 HydrophobicContact CD2-CG2 3.93Å; L2189-T2195 HydrophobicContact CG-CG2 4.42Å; R2193-T2195 PolarHBondContact O-N 3.17Å; R2193-T2195 PolarHBondContact O-OG1 2.65Å; T2195-R2235 WeakPolarHBondContact O-CA 3.49Å; T2195-F2236 HydrophobicContact CG2-CD1 4.4Å; T2195-F2236 HydrophobicContact CG2-CE1 3.67Å; T2195-F2236 HydrophobicContact CG2-CZ 3.74Å; T2195-F2236 PolarHBondContact N-O 2.85Å; T2195-F2236 PolarHBondContact O-N 2.87Å; T2195-F2236 VanDerWaalsContact O-O 3.1Å |
| 2196 | A | 69 | Low | 58.7 | Low | 58 Ų | 58 | 64.7 Ų | 64.7 | 48% | 0.479 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 148.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V2234 R2235 | A2196-V2234 VanDerWaalsContact CA-O 3.25Å; A2196-V2234 WeakPolarHBondContact CA-O 3.36Å; A2196-R2235 HydrophobicContact CB-CG 3.89Å |
| 2197 | F | 70 | Confident | 59.2 | Low | 7 Ų | 7 | 69.6 Ų | 69.6 | 3% | 0.031 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 159.9 | 167 | 61.2 | -91.5 | 0 | 0 | 0 | 110.8 | I2181 I2184 V2199 A2233 V2234 F2236 V2246 V2248 F2260 | I2181-F2197 HydrophobicContact CG2-CD2 4.21Å; I2184-F2197 HydrophobicContact CB-CB 4.47Å; I2184-F2197 HydrophobicContact CD1-CD1 4.22Å; I2184-F2197 HydrophobicContact CD1-CD2 3.87Å; I2184-F2197 HydrophobicContact CD1-CE1 4.27Å; I2184-F2197 HydrophobicContact CD1-CE2 3.93Å; I2184-F2197 HydrophobicContact CD1-CG 4.02Å; I2184-F2197 HydrophobicContact CD1-CZ 4.13Å; I2184-F2197 HydrophobicContact CG1-CB 3.54Å; I2184-F2197 HydrophobicContact CG1-CD1 3.75Å; I2184-F2197 HydrophobicContact CG1-CD2 3.65Å; I2184-F2197 HydrophobicContact CG1-CE1 4.3Å; I2184-F2197 HydrophobicContact CG1-CE2 4.22Å; I2184-F2197 HydrophobicContact CG1-CG 3.38Å; F2197-V2199 HydrophobicContact CD2-CG2 4.01Å; F2197-V2199 HydrophobicContact CE2-CG2 3.76Å; F2197-A2233 WeakPolarHBondContact O-CA 3.42Å; F2197-V2234 HydrophobicContact CD1-CB 4.39Å; F2197-V2234 HydrophobicContact CD2-CB 4.26Å; F2197-V2234 HydrophobicContact CD2-CG2 4.47Å; F2197-V2234 HydrophobicContact CE1-CB 4Å; F2197-V2234 HydrophobicContact CE1-CG1 3.97Å; F2197-V2234 HydrophobicContact CE2-CB 3.86Å; F2197-V2234 HydrophobicContact CE2-CG1 4.4Å; F2197-V2234 HydrophobicContact CE2-CG2 3.89Å; F2197-V2234 HydrophobicContact CZ-CB 3.72Å; F2197-V2234 HydrophobicContact CZ-CG1 3.78Å; F2197-V2234 HydrophobicContact CZ-CG2 4.1Å; F2197-V2234 PolarHBondContact N-O 3.11Å; F2197-V2234 PolarHBondContact O-N 2.99Å; F2197-F2236 HydrophobicContact CD1-CE1 4.5Å; F2197-F2236 HydrophobicContact CE1-CE1 4.21Å; F2197-V2246 HydrophobicContact CE1-CB 4.38Å; F2197-V2246 HydrophobicContact CE1-CG1 3.88Å; F2197-V2246 HydrophobicContact CE1-CG2 4.49Å; F2197-V2246 HydrophobicContact CZ-CB 4.42Å; F2197-V2246 HydrophobicContact CZ-CG1 3.81Å; F2197-V2248 HydrophobicContact CE2-CG2 4.29Å; F2197-V2248 HydrophobicContact CZ-CG2 4.02Å; F2197-F2260 HydrophobicContact CE2-CD2 4.12Å; F2197-F2260 HydrophobicContact CE2-CE2 4.4Å; F2197-F2260 AromaticContact CZ-CD2 3.98Å; F2197-F2260 HydrophobicContact CZ-CD2 3.98Å |
| 2198 | T | 65.9 | Low | 60.3 | Low | 32 Ų | 32 | 63.7 Ų | 63.7 | 20% | 0.196 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 121.7 | -176.4 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | T2182 H2232 | T2182-T2198 PolarHBondContact N-O 2.75Å; T2182-T2198 VanDerWaalsContact N-O 3.11Å; T2182-T2198 PolarHBondContact OG1-O 2.86Å; T2198-H2232 CarbonylContact C-O 3.51Å; T2198-H2232 WeakPolarHBondContact CA-O 2.87Å |
| 2199 | V | 70.4 | Confident | 61.3 | Low | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 108.3 | 173.8 | -177.4 | 0 | 0 | 0 | 0 | 107.8 | L2179 F2197 M2208 H2232 V2234 | L2179-V2199 HydrophobicContact CD2-CG1 3.63Å; F2197-V2199 HydrophobicContact CD2-CG2 4.01Å; F2197-V2199 HydrophobicContact CE2-CG2 3.76Å; V2199-M2208 HydrophobicContact CG1-CE 4.39Å; V2199-H2232 PolarHBondContact N-O 3.44Å; V2199-H2232 PolarHBondContact O-N 2.85Å; V2199-V2234 HydrophobicContact CG2-CG2 3.93Å |
| 2200 | N | 64.5 | Low | 62.1 | Low | 37 Ų | 37 | 64.5 Ų | 64.5 | 20% | 0.198 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 126.8 | 171 | -62.4 | -34.1 | 0 | 0 | 0 | 108.7 | T2182 Q2231 | T2182-N2200 PolarHBondContact OG1-ND2 2.69Å; N2200-Q2231 VanDerWaalsContact OD1-CG 3.31Å; N2200-Q2231 WeakPolarHBondContact OD1-CG 3.36Å; N2200-Q2231 PolarHBondContact OD1-NE2 2.91Å |
| 2201 | Y | 64.4 | Low | 63.1 | Low | 34 Ų | 34 | 64.3 Ų | 64.3 | 13% | 0.133 | 36% | 0.364 | C | S | . | . | trans | -141.4 | 83.5 | -169.9 | -165.7 | -96.1 | 0 | 0 | 0 | 109.5 | L2179 G2203 M2204 D2230 M2250 | L2179-Y2201 HydrophobicContact CD1-CD2 3.94Å; L2179-Y2201 HydrophobicContact CD1-CE2 3.88Å; L2179-Y2201 HydrophobicContact CD2-CD2 4.32Å; L2179-Y2201 HydrophobicContact CG-CD2 3.87Å; L2179-Y2201 HydrophobicContact CG-CE2 4.25Å; Y2201-G2203 PolarHBondContact O-N 2.58Å; Y2201-M2204 HydrophobicContact CE1-CB 3.88Å; Y2201-M2204 HydrophobicContact CE1-CG 3.82Å; Y2201-M2204 WeakPolarHBondContact OH-CE 3.26Å; Y2201-D2230 CarbonylContact C-O 3.58Å; Y2201-D2230 PolarHBondContact N-O 2.83Å; Y2201-M2250 HydrophobicContact CD1-CE 3.41Å; Y2201-M2250 VanDerWaalsContact CD1-CE 3.41Å; Y2201-M2250 HydrophobicContact CE1-CE 3.46Å; Y2201-M2250 VanDerWaalsContact CE1-CE 3.46Å; Y2201-M2250 HydrophobicContact CG-CE 4.08Å | ||
| 2202 | S | 49.2 | Very low | 64.1 | Low | 67 Ų | 67 | 61 Ų | 61 | 47% | 0.469 | 34% | 0.344 | S | S | . | . | trans | -82 | 114.8 | -172 | 60.2 | 0 | 0 | 0 | 0 | 113 | D2230 | S2202-D2230 WeakPolarHBondContact CA-OD1 3.15Š| ||
| 2203 | G | 44.9 | Very low | 64.8 | Low | 65 Ų | 65 | 60.3 Ų | 60.3 | 67% | 0.67 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 94.7 | 19.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | Y2201 D2230 | Y2201-G2203 PolarHBondContact O-N 2.58Å; G2203-D2230 PolarHBondContact N-OD1 2.98Å |
| 2204 | M | 47.2 | Very low | 65.2 | Low | 91 Ų | 91 | 52.4 Ų | 52.4 | 45% | 0.448 | 30% | 0.302 | S | S | . | . | trans | -132.4 | 140 | 157.6 | -19.2 | -162.9 | -34.5 | 0 | 0 | 112.3 | F2171 Y2201 | F2171-M2204 HydrophobicContact CE2-SD 4.46Å; Y2201-M2204 HydrophobicContact CE1-CB 3.88Å; Y2201-M2204 HydrophobicContact CE1-CG 3.82Å; Y2201-M2204 WeakPolarHBondContact OH-CE 3.26Å | ||
| 2205 | T | 51.2 | Low | 64.9 | Low | 148 Ų | 148 | 48.8 Ų | 48.8 | 91% | 0.908 | 28% | 0.278 | S | S | * | . | trans | -90.5 | 122.4 | 177.2 | 51.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 2206 | G | 58.4 | Low | 64.4 | Low | 29 Ų | 29 | 51.5 Ų | 51.5 | 30% | 0.299 | 30% | 0.297 | S | S | . | . | trans | -162 | 165.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D2251 | G2206-D2251 WeakPolarHBondContact CA-OD2 3.49Š| ||
| 2207 | R | 62.4 | Low | 63.3 | Low | 196 Ų | 196 | 51.2 Ų | 51.2 | 74% | 0.74 | 30% | 0.3 | S | S | * | . | trans | -92.7 | 100.5 | -179.1 | -167.1 | 178.3 | -172.5 | -174.2 | 0.9 | 110.6 | D2251 | R2207-D2251 WeakPolarHBondContact CB-OD1 3.44Å; R2207-D2251 PolarHBondContact N-OD1 3.36Å; R2207-D2251 PolarHBondContact N-OD2 3.1Å; R2207-D2251 PolarHBondContact O-N 3.03Å | ||
| 2208 | M | 72.2 | Confident | 62.6 | Low | 22 Ų | 22 | 55.9 Ų | 55.9 | 11% | 0.108 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 128.4 | -178.3 | -158.2 | -176.9 | -65.2 | 0 | 0 | 112.4 | V2199 V2224 H2232 V2248 L2249 M2250 | V2199-M2208 HydrophobicContact CG1-CE 4.39Å; M2208-V2224 HydrophobicContact CB-CG1 3.92Å; M2208-V2224 HydrophobicContact CG-CG1 3.87Å; M2208-V2224 HydrophobicContact SD-CG1 3.76Å; M2208-H2232 HydrophobicContact CE-CB 3.74Å; M2208-H2232 VanDerWaalsContact CE-CG 3.5Å; M2208-H2232 HydrophobicContact SD-CB 3.55Å; M2208-H2232 VanDerWaalsContact SD-CB 3.55Å; M2208-V2248 HydrophobicContact CG-CG1 3.98Å; M2208-V2248 HydrophobicContact SD-CG1 3.92Å; M2208-L2249 CarbonylContact C-O 3.55Å; M2208-L2249 VanDerWaalsContact CA-O 3.25Å; M2208-L2249 WeakPolarHBondContact CA-O 3.3Å; M2208-L2249 WeakPolarHBondContact CG-O 3.26Å; M2208-M2250 HydrophobicContact CB-SD 3.75Å; M2208-M2250 HydrophobicContact CE-CE 3.6Å; M2208-M2250 HydrophobicContact CE-SD 4.15Å; M2208-M2250 HydrophobicContact CG-SD 4.24Å |
| 2209 | R | 73.9 | Confident | 62.8 | Low | 100 Ų | 100 | 59.8 Ų | 59.8 | 38% | 0.377 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 157.1 | 176 | 179.8 | 177.5 | -178.7 | -171.4 | 1.6 | 109.7 | D2221 V2224 L2249 E2252 | R2209-D2221 IonicContact CZ-OD1 2.83Å; R2209-D2221 IonicContact NE-OD1 2.74Å; R2209-D2221 PolarHBondContact NE-OD1 2.89Å; R2209-D2221 IonicContact NH2-OD1 3.68Å; R2209-D2221 PolarHBondContact NH2-OD1 2.93Å; R2209-V2224 VanDerWaalsContact C-CG2 3.47Å; R2209-L2249 HydrophobicContact CB-CB 4.4Å; R2209-L2249 HydrophobicContact CB-CD1 4.48Å; R2209-L2249 HydrophobicContact CG-CD1 4.48Å; R2209-L2249 PolarHBondContact N-O 2.92Å; R2209-L2249 PolarHBondContact O-N 3.06Å; R2209-L2249 VanDerWaalsContact O-O 3.09Å; R2209-E2252 WeakPolarHBondContact CD-OE1 3.39Å; R2209-E2252 IonicContact NH1-OE1 2.74Å; R2209-E2252 PolarHBondContact NH1-OE1 3.25Å; R2209-E2252 IonicContact NH1-OE2 2.68Å |
| 2210 | A | 80.6 | Confident | 62.4 | Low | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.008 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 158.3 | 170 | 0 | 0 | 0 | 0 | 0 | 112.1 | A2222 V2224 V2234 H2247 V2248 | A2210-A2222 HydrophobicContact CB-CB 3.74Å; A2210-A2222 PolarHBondContact O-N 2.9Å; A2210-V2224 HydrophobicContact CB-CG2 3.38Å; A2210-V2234 HydrophobicContact CB-CG1 3.75Å; A2210-H2247 CarbonylContact C-O 3.51Å; A2210-H2247 WeakPolarHBondContact CA-O 3.31Å; A2210-H2247 VanDerWaalsContact CB-O 3.24Å; A2210-H2247 WeakPolarHBondContact CB-O 3.31Å; A2210-V2248 HydrophobicContact CB-CB 4.44Å; A2210-V2248 HydrophobicContact CB-CG2 4.03Å |
| 2211 | Y | 82.6 | Confident | 62.5 | Low | 46 Ų | 46 | 65.3 Ų | 65.3 | 18% | 0.18 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 159.2 | 169.4 | 64.7 | -99.7 | 0 | 0 | 0 | 110.8 | V2213 Q2219 S2220 V2246 H2247 L2249 | Y2211-V2213 HydrophobicContact CD2-CG2 4.18Å; Y2211-V2213 HydrophobicContact CE2-CG2 3.92Å; Y2211-Q2219 HydrophobicContact CD2-CG 3.64Å; Y2211-Q2219 HydrophobicContact CE2-CG 4.18Å; Y2211-Q2219 VanDerWaalsContact CE2-NE2 3.33Å; Y2211-Q2219 HydrophobicContact CG-CG 4.19Å; Y2211-Q2219 VanDerWaalsContact CG-NE2 3.33Å; Y2211-S2220 CarbonylContact C-O 3.54Å; Y2211-S2220 WeakPolarHBondContact CA-O 3.31Å; Y2211-S2220 WeakPolarHBondContact CB-O 3.19Å; Y2211-V2246 CarbonylContact O-C 3.57Å; Y2211-V2246 WeakPolarHBondContact O-CA 3.26Å; Y2211-H2247 HydrophobicContact CD1-CB 3.99Å; Y2211-H2247 HydrophobicContact CD2-CB 3.88Å; Y2211-H2247 AromaticContact CD2-CD2 3.79Å; Y2211-H2247 AromaticContact CD2-CG 3.99Å; Y2211-H2247 HydrophobicContact CE1-CB 3.69Å; Y2211-H2247 HydrophobicContact CE2-CB 3.59Å; Y2211-H2247 AromaticContact CE2-CD2 3.16Å; Y2211-H2247 WeakPolarHBondContact CE2-CD2 3.12Å; Y2211-H2247 AromaticContact CE2-CG 3.29Å; Y2211-H2247 AromaticContact CE2-ND1 3.94Å; Y2211-H2247 AromaticContact CE2-NE2 3.78Å; Y2211-H2247 HydrophobicContact CG-CB 4.08Å; Y2211-H2247 VanDerWaalsContact CZ-CB 3.48Å; Y2211-H2247 AromaticContact CZ-CD2 3.72Å; Y2211-H2247 AromaticContact CZ-CG 3.34Å; Y2211-H2247 AromaticContact CZ-ND1 3.67Å; Y2211-H2247 PolarHBondContact N-O 3.45Å; Y2211-H2247 PolarHBondContact O-N 2.8Å; Y2211-H2247 PolarHBondContact OH-ND1 2.87Å; Y2211-L2249 HydrophobicContact CD1-CD1 4.34Å; Y2211-L2249 HydrophobicContact CE1-CD1 4.07Å |
| 2212 | V | 80.7 | Confident | 62.8 | Low | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 126 | 178 | -168.5 | 0 | 0 | 0 | 0 | 109.6 | Q2219 S2220 A2222 F2236 H2244 L2245 V2246 | V2212-Q2219 CarbonylContact O-C 3.54Å; V2212-Q2219 WeakPolarHBondContact O-CA 2.97Å; V2212-S2220 PolarHBondContact N-O 3.21Å; V2212-S2220 PolarHBondContact O-N 2.65Å; V2212-S2220 PolarHBondContact O-OG 3.36Å; V2212-A2222 HydrophobicContact CG2-CB 3.98Å; V2212-F2236 HydrophobicContact CB-CD2 4.48Å; V2212-F2236 HydrophobicContact CG1-CD2 4.27Å; V2212-F2236 HydrophobicContact CG1-CE2 4.33Å; V2212-F2236 HydrophobicContact CG2-CB 3.62Å; V2212-F2236 HydrophobicContact CG2-CD1 4.12Å; V2212-F2236 HydrophobicContact CG2-CD2 3.72Å; V2212-F2236 HydrophobicContact CG2-CE2 4.34Å; V2212-F2236 HydrophobicContact CG2-CG 3.58Å; V2212-H2244 HydrophobicContact CG1-CB 3.72Å; V2212-L2245 WeakPolarHBondContact CA-O 3.46Å; V2212-V2246 HydrophobicContact CG1-CG2 4.1Å; V2212-V2246 HydrophobicContact CG2-CB 4.43Å; V2212-V2246 HydrophobicContact CG2-CG1 4.16Å; V2212-V2246 HydrophobicContact CG2-CG2 3.95Å |
| 2213 | V | 71.9 | Confident | 63.8 | Low | 34 Ų | 34 | 67.4 Ų | 67.4 | 21% | 0.206 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 120.7 | 163.6 | -171.8 | 0 | 0 | 0 | 0 | 107.6 | Y2211 H2244 L2245 | Y2211-V2213 HydrophobicContact CD2-CG2 4.18Å; Y2211-V2213 HydrophobicContact CE2-CG2 3.92Å; V2213-H2244 WeakPolarHBondContact O-CA 3.24Å; V2213-L2245 HydrophobicContact CB-CB 4.34Å; V2213-L2245 PolarHBondContact N-O 2.8Å; V2213-L2245 PolarHBondContact O-N 2.59Å |
| 2214 | A | 67.1 | Low | 65 | Low | 10 Ų | 10 | 65.9 Ų | 65.9 | 8% | 0.083 | 35% | 0.354 | C | S | . | . | trans | -78.4 | 161.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | S2216 G2217 I2218 E2240 | A2214-S2216 PolarHBondContact O-N 2.78Å; A2214-S2216 VanDerWaalsContact O-N 3.14Å; A2214-G2217 WeakPolarHBondContact O-CA 3.31Å; A2214-G2217 PolarHBondContact O-N 3.19Å; A2214-I2218 PolarHBondContact N-O 3.44Å; A2214-E2240 WeakPolarHBondContact CB-OE2 3.5Å | ||
| 2215 | P | 52.6 | Low | 65.8 | Low | 36 Ų | 36 | 63.6 Ų | 63.6 | 23% | 0.234 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -32.6 | 176.7 | -30 | 36.3 | 0 | 0 | 0 | 115 | G2217 E2240 H2244 | P2215-G2217 PolarHBondContact O-N 2.98Å; P2215-E2240 WeakPolarHBondContact CD-OE2 3.32Å; P2215-E2240 HydrophobicContact CG-CB 4.48Å; P2215-H2244 WeakPolarHBondContact CD-CE1 3.31Å |
| 2216 | S | 53.3 | Low | 66.5 | Low | 68 Ų | 68 | 61.5 Ų | 61.5 | 48% | 0.476 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -8.9 | 172.1 | 62.3 | 0 | 0 | 0 | 0 | 115.4 | A2214 I2218 E2240 | A2214-S2216 PolarHBondContact O-N 2.78Å; A2214-S2216 VanDerWaalsContact O-N 3.14Å; S2216-I2218 VanDerWaalsContact C-N 3.3Å; S2216-I2218 WeakPolarHBondContact OG-CB 3.39Å; S2216-I2218 WeakPolarHBondContact OG-CD1 3.37Å; S2216-I2218 VanDerWaalsContact OG-CG1 3.25Å; S2216-I2218 WeakPolarHBondContact OG-CG1 3.45Å; S2216-I2218 PolarHBondContact OG-N 3.47Å; S2216-E2240 VanDerWaalsContact CB-OE1 3.24Å; S2216-E2240 WeakPolarHBondContact CB-OE1 3.49Å; S2216-E2240 VanDerWaalsContact CB-OE2 3.24Å; S2216-E2240 WeakPolarHBondContact CB-OE2 3.46Å; S2216-E2240 PolarHBondContact N-OE2 3.22Å; S2216-E2240 PolarHBondContact OG-OE1 2.9Å; S2216-E2240 PolarHBondContact OG-OE2 2.94Å; S2216-E2240 VanDerWaalsContact OG-OE2 3.07Å |
| 2217 | G | 45.7 | Very low | 66.5 | Low | 52 Ų | 52 | 62 Ų | 62 | 54% | 0.536 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 82.7 | -0.5 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A2214 P2215 Q2219 | A2214-G2217 WeakPolarHBondContact O-CA 3.31Å; A2214-G2217 PolarHBondContact O-N 3.19Å; P2215-G2217 PolarHBondContact O-N 2.98Å; G2217-Q2219 PolarHBondContact O-N 2.83Å |
| 2218 | I | 55.7 | Low | 66.1 | Low | 105 Ų | 105 | 56.9 Ų | 56.9 | 54% | 0.538 | 31% | 0.307 | S | S | . | . | trans | -69.2 | 118.4 | 176.9 | -66.5 | 171.4 | 0 | 0 | 0 | 109.9 | A2214 S2216 | A2214-I2218 PolarHBondContact N-O 3.44Å; S2216-I2218 VanDerWaalsContact C-N 3.3Å; S2216-I2218 WeakPolarHBondContact OG-CB 3.39Å; S2216-I2218 WeakPolarHBondContact OG-CD1 3.37Å; S2216-I2218 VanDerWaalsContact OG-CG1 3.25Å; S2216-I2218 WeakPolarHBondContact OG-CG1 3.45Å; S2216-I2218 PolarHBondContact OG-N 3.47Å | ||
| 2219 | Q | 70.7 | Confident | 65.7 | Low | 115 Ų | 115 | 61.1 Ų | 61.1 | 54% | 0.537 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 137.1 | 171.9 | -172.6 | 176.5 | -4.5 | 0 | 0 | 110.7 | Y2211 V2212 G2217 | Y2211-Q2219 HydrophobicContact CD2-CG 3.64Å; Y2211-Q2219 HydrophobicContact CE2-CG 4.18Å; Y2211-Q2219 VanDerWaalsContact CE2-NE2 3.33Å; Y2211-Q2219 HydrophobicContact CG-CG 4.19Å; Y2211-Q2219 VanDerWaalsContact CG-NE2 3.33Å; V2212-Q2219 CarbonylContact O-C 3.54Å; V2212-Q2219 WeakPolarHBondContact O-CA 2.97Å; G2217-Q2219 PolarHBondContact O-N 2.83Å |
| 2220 | S | 62.3 | Low | 65.1 | Low | 47 Ų | 47 | 59.6 Ų | 59.6 | 33% | 0.329 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 132.6 | 178.5 | 53.9 | 0 | 0 | 0 | 0 | 110.4 | Y2211 V2212 | Y2211-S2220 CarbonylContact C-O 3.54Å; Y2211-S2220 WeakPolarHBondContact CA-O 3.31Å; Y2211-S2220 WeakPolarHBondContact CB-O 3.19Å; V2212-S2220 PolarHBondContact N-O 3.21Å; V2212-S2220 PolarHBondContact O-N 2.65Å; V2212-S2220 PolarHBondContact O-OG 3.36Å |
| 2221 | D | 65.9 | Low | 64.4 | Low | 105 Ų | 105 | 62.1 Ų | 62.1 | 56% | 0.561 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 142.8 | 178.8 | -73.9 | -73.2 | 0 | 0 | 0 | 111.5 | R2209 | R2209-D2221 IonicContact CZ-OD1 2.83Å; R2209-D2221 IonicContact NE-OD1 2.74Å; R2209-D2221 PolarHBondContact NE-OD1 2.89Å; R2209-D2221 IonicContact NH2-OD1 3.68Å; R2209-D2221 PolarHBondContact NH2-OD1 2.93Å |
| 2222 | A | 71.5 | Confident | 64 | Low | 7 Ų | 7 | 60.8 Ų | 60.8 | 6% | 0.058 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 129.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | A2210 V2212 V2224 V2234 R2235 F2236 | A2210-A2222 HydrophobicContact CB-CB 3.74Å; A2210-A2222 PolarHBondContact O-N 2.9Å; V2212-A2222 HydrophobicContact CG2-CB 3.98Å; A2222-V2224 PolarHBondContact O-N 3.37Å; A2222-V2224 VanDerWaalsContact O-N 3.1Å; A2222-V2234 HydrophobicContact CB-CG1 4.17Å; A2222-R2235 CarbonylContact C-O 3.59Å; A2222-F2236 HydrophobicContact CB-CB 4.09Å |
| 2223 | F | 68.8 | Low | 63.6 | Low | 138 Ų | 138 | 61.1 Ų | 61.1 | 61% | 0.605 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 108.6 | -179.6 | -89.5 | -96.2 | 0 | 0 | 0 | 110.5 | R2235 | F2223-R2235 HydrophobicContact CB-CB 4.28Å; F2223-R2235 PolarHBondContact N-O 3.43Å; F2223-R2235 PolarHBondContact O-N 3.05Å |
| 2224 | V | 71.1 | Confident | 63.8 | Low | 33 Ų | 33 | 59.5 Ų | 59.5 | 20% | 0.2 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 134.2 | 166.3 | -169.3 | 0 | 0 | 0 | 0 | 109.1 | M2208 R2209 A2210 A2222 H2232 A2233 V2234 | M2208-V2224 HydrophobicContact CB-CG1 3.92Å; M2208-V2224 HydrophobicContact CG-CG1 3.87Å; M2208-V2224 HydrophobicContact SD-CG1 3.76Å; R2209-V2224 VanDerWaalsContact C-CG2 3.47Å; A2210-V2224 HydrophobicContact CB-CG2 3.38Å; A2222-V2224 PolarHBondContact O-N 3.37Å; A2222-V2224 VanDerWaalsContact O-N 3.1Å; V2224-H2232 HydrophobicContact CG1-CB 4.13Å; V2224-A2233 CarbonylContact C-O 3.47Å; V2224-A2233 WeakPolarHBondContact CA-O 3.49Å; V2224-V2234 HydrophobicContact CG1-CG2 4.49Å; V2224-V2234 HydrophobicContact CG2-CG2 4.27Å |
| 2225 | H | 63.4 | Low | 64.2 | Low | 43 Ų | 43 | 62.9 Ų | 62.9 | 20% | 0.199 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 127.8 | 177.3 | -177.8 | 42.6 | 0 | 0 | 0 | 111.3 | T1834 L1835 V2227 H2232 A2233 | T1834-H2225 WeakPolarHBondContact CG2-CE1 3.4Å; T1834-H2225 WeakPolarHBondContact CG2-ND1 3.23Å; L1835-H2225 PolarHBondContact O-NE2 3.12Å; H2225-V2227 PolarHBondContact O-N 3.24Å; H2225-H2232 CarbonylContact O-C 3.55Å; H2225-H2232 WeakPolarHBondContact O-CA 3.41Å; H2225-A2233 PolarHBondContact N-O 2.92Å; H2225-A2233 PolarHBondContact O-N 2.96Å |
| 2226 | Q | 65.9 | Low | 65.6 | Low | 104 Ų | 104 | 61.9 Ų | 61.9 | 49% | 0.486 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 121 | 174.5 | -168.9 | 175.7 | 25.3 | 0 | 0 | 109.6 | D2228 V2229 | Q2226-D2228 WeakPolarHBondContact CG-O 3.24Å; Q2226-D2228 PolarHBondContact NE2-O 2.84Å; Q2226-V2229 PolarHBondContact NE2-O 2.99Å |
| 2227 | V | 57.6 | Low | 66.7 | Low | 40 Ų | 40 | 60.9 Ų | 60.9 | 24% | 0.242 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -34.1 | -176.3 | -166.4 | 0 | 0 | 0 | 0 | 111.3 | Y1817 H2225 Q2231 A2233 | Y1817-V2227 HydrophobicContact CD1-CG1 3.71Å; Y1817-V2227 HydrophobicContact CE1-CB 4.45Å; Y1817-V2227 HydrophobicContact CE1-CG1 3.51Å; H2225-V2227 PolarHBondContact O-N 3.24Å; V2227-Q2231 PolarHBondContact N-O 2.61Å; V2227-A2233 HydrophobicContact CG2-CB 3.66Å |
| 2228 | D | 55.6 | Low | 67.9 | Low | 89 Ų | 89 | 58.4 Ų | 58.4 | 48% | 0.476 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 173.5 | 170.8 | -153.4 | -18.1 | 0 | 0 | 0 | 108.8 | Q2226 D2230 Q2231 | Q2226-D2228 WeakPolarHBondContact CG-O 3.24Å; Q2226-D2228 PolarHBondContact NE2-O 2.84Å; D2228-D2230 PolarHBondContact O-N 3.14Å; D2228-D2230 VanDerWaalsContact O-N 3.11Å; D2228-Q2231 HydrophobicContact CB-CB 4.15Å; D2228-Q2231 HydrophobicContact CB-CG 4.27Å; D2228-Q2231 PolarHBondContact N-O 2.91Å; D2228-Q2231 PolarHBondContact O-N 3.32Å |
| 2229 | V | 62.3 | Low | 68.5 | Low | 110 Ų | 110 | 59.9 Ų | 59.9 | 67% | 0.667 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.2 | -46.4 | -176 | -178.9 | 0 | 0 | 0 | 0 | 111.9 | Q2226 | Q2226-V2229 PolarHBondContact NE2-O 2.99Š|
| 2230 | D | 62 | Low | 67.9 | Low | 69 Ų | 69 | 56.8 Ų | 56.8 | 37% | 0.369 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 15 | -177.7 | -66.4 | -47.5 | 0 | 0 | 0 | 114 | Y2201 S2202 G2203 D2228 | Y2201-D2230 CarbonylContact C-O 3.58Å; Y2201-D2230 PolarHBondContact N-O 2.83Å; S2202-D2230 WeakPolarHBondContact CA-OD1 3.15Å; G2203-D2230 PolarHBondContact N-OD1 2.98Å; D2228-D2230 PolarHBondContact O-N 3.14Å; D2228-D2230 VanDerWaalsContact O-N 3.11Å |
| 2231 | Q | 65.8 | Low | 67.5 | Low | 53 Ų | 53 | 58.1 Ų | 58.1 | 25% | 0.248 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 128 | -173 | -58.7 | -165.2 | -18.4 | 0 | 0 | 113.6 | Y1817 N2200 V2227 D2228 | Y1817-Q2231 PolarHBondContact OH-OE1 3.17Å; N2200-Q2231 VanDerWaalsContact OD1-CG 3.31Å; N2200-Q2231 WeakPolarHBondContact OD1-CG 3.36Å; N2200-Q2231 PolarHBondContact OD1-NE2 2.91Å; V2227-Q2231 PolarHBondContact N-O 2.61Å; D2228-Q2231 HydrophobicContact CB-CB 4.15Å; D2228-Q2231 HydrophobicContact CB-CG 4.27Å; D2228-Q2231 PolarHBondContact N-O 2.91Å; D2228-Q2231 PolarHBondContact O-N 3.32Å |
| 2232 | H | 73.3 | Confident | 67 | Low | 18 Ų | 18 | 54 Ų | 54 | 8% | 0.083 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 130.9 | 179.8 | -67.5 | 76 | 0 | 0 | 0 | 111.6 | T2198 V2199 M2208 V2224 H2225 | T2198-H2232 CarbonylContact C-O 3.51Å; T2198-H2232 WeakPolarHBondContact CA-O 2.87Å; V2199-H2232 PolarHBondContact N-O 3.44Å; V2199-H2232 PolarHBondContact O-N 2.85Å; M2208-H2232 HydrophobicContact CE-CB 3.74Å; M2208-H2232 VanDerWaalsContact CE-CG 3.5Å; M2208-H2232 HydrophobicContact SD-CB 3.55Å; M2208-H2232 VanDerWaalsContact SD-CB 3.55Å; V2224-H2232 HydrophobicContact CG1-CB 4.13Å; H2225-H2232 CarbonylContact O-C 3.55Å; H2225-H2232 WeakPolarHBondContact O-CA 3.41Å |
| 2233 | A | 72.7 | Confident | 66.6 | Low | 7 Ų | 7 | 54.1 Ų | 54.1 | 6% | 0.058 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 123.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | F2197 V2224 H2225 V2227 | F2197-A2233 WeakPolarHBondContact O-CA 3.42Å; V2224-A2233 CarbonylContact C-O 3.47Å; V2224-A2233 WeakPolarHBondContact CA-O 3.49Å; H2225-A2233 PolarHBondContact N-O 2.92Å; H2225-A2233 PolarHBondContact O-N 2.96Å; V2227-A2233 HydrophobicContact CG2-CB 3.66Å |
| 2234 | V | 76.5 | Confident | 66.8 | Low | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 128 | 174.8 | -175.8 | 0 | 0 | 0 | 0 | 108.4 | A2196 F2197 V2199 A2210 A2222 V2224 V2246 V2248 | A2196-V2234 VanDerWaalsContact CA-O 3.25Å; A2196-V2234 WeakPolarHBondContact CA-O 3.36Å; F2197-V2234 HydrophobicContact CD1-CB 4.39Å; F2197-V2234 HydrophobicContact CD2-CB 4.26Å; F2197-V2234 HydrophobicContact CD2-CG2 4.47Å; F2197-V2234 HydrophobicContact CE1-CB 4Å; F2197-V2234 HydrophobicContact CE1-CG1 3.97Å; F2197-V2234 HydrophobicContact CE2-CB 3.86Å; F2197-V2234 HydrophobicContact CE2-CG1 4.4Å; F2197-V2234 HydrophobicContact CE2-CG2 3.89Å; F2197-V2234 HydrophobicContact CZ-CB 3.72Å; F2197-V2234 HydrophobicContact CZ-CG1 3.78Å; F2197-V2234 HydrophobicContact CZ-CG2 4.1Å; F2197-V2234 PolarHBondContact N-O 3.11Å; F2197-V2234 PolarHBondContact O-N 2.99Å; V2199-V2234 HydrophobicContact CG2-CG2 3.93Å; A2210-V2234 HydrophobicContact CB-CG1 3.75Å; A2222-V2234 HydrophobicContact CB-CG1 4.17Å; V2224-V2234 HydrophobicContact CG1-CG2 4.49Å; V2224-V2234 HydrophobicContact CG2-CG2 4.27Å; V2234-V2246 HydrophobicContact CG1-CG1 4.13Å; V2234-V2248 HydrophobicContact CG1-CG2 4.21Å; V2234-V2248 HydrophobicContact CG2-CG1 4.34Å; V2234-V2248 HydrophobicContact CG2-CG2 3.91Å |
| 2235 | R | 76.4 | Confident | 67.1 | Low | 82 Ų | 82 | 49.2 Ų | 49.2 | 31% | 0.309 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 130.7 | -171.9 | -62.8 | 179.1 | 166.1 | -175.6 | -8.6 | 111.3 | L1819 T2195 A2196 A2222 F2223 | L1819-R2235 PolarHBondContact O-NH2 2.96Å; T2195-R2235 WeakPolarHBondContact O-CA 3.49Å; A2196-R2235 HydrophobicContact CB-CG 3.89Å; A2222-R2235 CarbonylContact C-O 3.59Å; F2223-R2235 HydrophobicContact CB-CB 4.28Å; F2223-R2235 PolarHBondContact N-O 3.43Å; F2223-R2235 PolarHBondContact O-N 3.05Å |
| 2236 | F | 81.1 | Confident | 67.9 | Low | 14 Ų | 14 | 47.2 Ų | 47.2 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 165.6 | 177.3 | 69 | -82 | 0 | 0 | 0 | 111.1 | T2195 F2197 V2212 A2222 P2238 V2246 V2262 | T2195-F2236 HydrophobicContact CG2-CD1 4.4Å; T2195-F2236 HydrophobicContact CG2-CE1 3.67Å; T2195-F2236 HydrophobicContact CG2-CZ 3.74Å; T2195-F2236 PolarHBondContact N-O 2.85Å; T2195-F2236 PolarHBondContact O-N 2.87Å; T2195-F2236 VanDerWaalsContact O-O 3.1Å; F2197-F2236 HydrophobicContact CD1-CE1 4.5Å; F2197-F2236 HydrophobicContact CE1-CE1 4.21Å; V2212-F2236 HydrophobicContact CB-CD2 4.48Å; V2212-F2236 HydrophobicContact CG1-CD2 4.27Å; V2212-F2236 HydrophobicContact CG1-CE2 4.33Å; V2212-F2236 HydrophobicContact CG2-CB 3.62Å; V2212-F2236 HydrophobicContact CG2-CD1 4.12Å; V2212-F2236 HydrophobicContact CG2-CD2 3.72Å; V2212-F2236 HydrophobicContact CG2-CE2 4.34Å; V2212-F2236 HydrophobicContact CG2-CG 3.58Å; A2222-F2236 HydrophobicContact CB-CB 4.09Å; F2236-P2238 HydrophobicContact CD2-CB 4.5Å; F2236-P2238 HydrophobicContact CE2-CB 4.12Å; F2236-P2238 HydrophobicContact CE2-CG 4.24Å; F2236-V2246 HydrophobicContact CD1-CG2 4.27Å; F2236-V2246 HydrophobicContact CE1-CG2 3.68Å; F2236-V2246 HydrophobicContact CE2-CG2 4.37Å; F2236-V2246 HydrophobicContact CZ-CG2 3.73Å; F2236-V2262 HydrophobicContact CZ-CB 4.33Å; F2236-V2262 HydrophobicContact CZ-CG1 4.07Å; F2236-V2262 HydrophobicContact CZ-CG2 4.44Å |
| 2237 | T | 77.6 | Confident | 68.6 | Low | 47 Ų | 47 | 44 Ų | 44 | 29% | 0.288 | 23% | 0.232 | S | C | . | . | trans | -117.8 | 114 | 169.5 | -58.7 | 0 | 0 | 0 | 0 | 108.1 | H2239 | T2237-H2239 PolarHBondContact O-CD2 2.79Å; T2237-H2239 PolarHBondContact O-N 2.87Å; T2237-H2239 PolarHBondContact O-NE2 3.24Å | ||
| 2238 | P | 69.6 | Low | 69.6 | Low | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | trans | -69.3 | 130.6 | 172.7 | 27.5 | -32.1 | 0 | 0 | 0 | 110 | V2191 G2192 R2193 F2236 H2244 V2264 | V2191-P2238 WeakPolarHBondContact CA-O 3.39Å; G2192-P2238 PolarHBondContact N-O 3.11Å; R2193-P2238 WeakPolarHBondContact O-CD 3.47Å; F2236-P2238 HydrophobicContact CD2-CB 4.5Å; F2236-P2238 HydrophobicContact CE2-CB 4.12Å; F2236-P2238 HydrophobicContact CE2-CG 4.24Å; P2238-H2244 WeakPolarHBondContact CB-NE2 3.39Å; P2238-V2264 HydrophobicContact CB-CB 4.39Å; P2238-V2264 HydrophobicContact CB-CG1 4.09Å; P2238-V2264 HydrophobicContact CB-CG2 3.57Å; P2238-V2264 HydrophobicContact CG-CG1 4.14Å; P2238-V2264 HydrophobicContact CG-CG2 3.87Å | ||
| 2239 | H | 68.6 | Low | 70.5 | Confident | 136 Ų | 136 | 38.5 Ų | 38.5 | 63% | 0.63 | 20% | 0.201 | S | C | * | . | trans | -101.1 | -7.5 | -179.2 | -70.5 | -77.3 | 0 | 0 | 0 | 113.1 | V2191 T2237 | V2191-H2239 WeakPolarHBondContact CG1-O 3.27Å; T2237-H2239 PolarHBondContact O-CD2 2.79Å; T2237-H2239 PolarHBondContact O-N 2.87Å; T2237-H2239 PolarHBondContact O-NE2 3.24Å | ||
| 2240 | E | 58.2 | Low | 70.9 | Confident | 50 Ų | 50 | 34 Ų | 34 | 23% | 0.234 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -132.3 | 164.3 | -173.8 | -67.5 | 169 | -155.7 | 0 | 0 | 111.7 | V2191 A2214 P2215 S2216 H2244 V2264 | V2191-E2240 VanDerWaalsContact CG2-O 3.24Å; V2191-E2240 WeakPolarHBondContact CG2-O 3.42Å; A2214-E2240 WeakPolarHBondContact CB-OE2 3.5Å; P2215-E2240 WeakPolarHBondContact CD-OE2 3.32Å; P2215-E2240 HydrophobicContact CG-CB 4.48Å; S2216-E2240 VanDerWaalsContact CB-OE1 3.24Å; S2216-E2240 WeakPolarHBondContact CB-OE1 3.49Å; S2216-E2240 VanDerWaalsContact CB-OE2 3.24Å; S2216-E2240 WeakPolarHBondContact CB-OE2 3.46Å; S2216-E2240 PolarHBondContact N-OE2 3.22Å; S2216-E2240 PolarHBondContact OG-OE1 2.9Å; S2216-E2240 PolarHBondContact OG-OE2 2.94Å; S2216-E2240 VanDerWaalsContact OG-OE2 3.07Å; E2240-H2244 PolarHBondContact O-CE1 3.35Å; E2240-V2264 WeakPolarHBondContact O-CG1 3.36Å |
| 2241 | N | 54.2 | Low | 71.2 | Confident | 74 Ų | 74 | 34.9 Ų | 34.9 | 40% | 0.396 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -93.5 | 136.2 | 166.8 | -85.6 | -12.2 | 0 | 0 | 0 | 109.3 | V2191 V2264 S2299 | V2191-N2241 WeakPolarHBondContact CG2-OD1 3.27Å; N2241-V2264 CarbonylContact C-O 3.53Å; N2241-V2264 WeakPolarHBondContact CA-O 3.38Å; N2241-S2299 PolarHBondContact ND2-OG 3.34Å |
| 2242 | G | 55.2 | Low | 71.1 | Confident | 18 Ų | 18 | 37.9 Ų | 37.9 | 19% | 0.186 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 135.5 | -170 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | H2244 V2264 | G2242-H2244 PolarHBondContact O-N 2.85Å; G2242-H2244 PolarHBondContact O-ND1 3.38Å; G2242-V2264 PolarHBondContact N-O 3.46Å; G2242-V2264 PolarHBondContact O-N 2.85Å |
| 2243 | A | 62 | Low | 70.1 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 9% | 0.091 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 103.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R2261 | A2243-R2261 HydrophobicContact CB-CG 4.1Å |
| 2244 | H | 73.9 | Confident | 69.4 | Low | 3 Ų | 3 | 46.2 Ų | 46.2 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 132.3 | 172.8 | -71.4 | 56.1 | 0 | 0 | 0 | 109.5 | V2212 V2213 P2215 P2238 E2240 G2242 V2262 V2264 | V2212-H2244 HydrophobicContact CG1-CB 3.72Å; V2213-H2244 WeakPolarHBondContact O-CA 3.24Å; P2215-H2244 WeakPolarHBondContact CD-CE1 3.31Å; P2238-H2244 WeakPolarHBondContact CB-NE2 3.39Å; E2240-H2244 PolarHBondContact O-CE1 3.35Å; G2242-H2244 PolarHBondContact O-N 2.85Å; G2242-H2244 PolarHBondContact O-ND1 3.38Å; H2244-V2262 PolarHBondContact N-O 3.06Å; H2244-V2262 PolarHBondContact O-N 3.01Å; H2244-V2264 WeakPolarHBondContact ND1-CG2 3.43Å |
| 2245 | L | 78.4 | Confident | 69 | Low | 65 Ų | 65 | 46.5 Ų | 46.5 | 34% | 0.34 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 104.2 | 177.4 | -62.9 | 178.5 | 0 | 0 | 0 | 109.4 | V2212 V2213 H2247 P2259 R2261 | V2212-L2245 WeakPolarHBondContact CA-O 3.46Å; V2213-L2245 HydrophobicContact CB-CB 4.34Å; V2213-L2245 PolarHBondContact N-O 2.8Å; V2213-L2245 PolarHBondContact O-N 2.59Å; L2245-H2247 PolarHBondContact O-N 3.13Å; L2245-P2259 HydrophobicContact CB-CB 4.11Å; L2245-R2261 HydrophobicContact CD2-CB 4.1Å; L2245-R2261 HydrophobicContact CD2-CG 4.21Å |
| 2246 | V | 79 | Confident | 68 | Low | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 95.7 | -179.1 | -172.5 | 0 | 0 | 0 | 0 | 109.7 | F2197 Y2211 V2212 V2234 F2236 V2248 P2259 F2260 V2262 | F2197-V2246 HydrophobicContact CE1-CB 4.38Å; F2197-V2246 HydrophobicContact CE1-CG1 3.88Å; F2197-V2246 HydrophobicContact CE1-CG2 4.49Å; F2197-V2246 HydrophobicContact CZ-CB 4.42Å; F2197-V2246 HydrophobicContact CZ-CG1 3.81Å; Y2211-V2246 CarbonylContact O-C 3.57Å; Y2211-V2246 WeakPolarHBondContact O-CA 3.26Å; V2212-V2246 HydrophobicContact CG1-CG2 4.1Å; V2212-V2246 HydrophobicContact CG2-CB 4.43Å; V2212-V2246 HydrophobicContact CG2-CG1 4.16Å; V2212-V2246 HydrophobicContact CG2-CG2 3.95Å; V2234-V2246 HydrophobicContact CG1-CG1 4.13Å; F2236-V2246 HydrophobicContact CD1-CG2 4.27Å; F2236-V2246 HydrophobicContact CE1-CG2 3.68Å; F2236-V2246 HydrophobicContact CE2-CG2 4.37Å; F2236-V2246 HydrophobicContact CZ-CG2 3.73Å; V2246-V2248 HydrophobicContact CG1-CG2 4.28Å; V2246-V2248 PolarHBondContact O-N 2.78Å; V2246-P2259 CarbonylContact O-C 3.54Å; V2246-P2259 WeakPolarHBondContact O-CA 3.11Å; V2246-F2260 HydrophobicContact CB-CB 4.4Å; V2246-F2260 PolarHBondContact N-O 2.66Å; V2246-F2260 PolarHBondContact O-N 3.38Å; V2246-V2262 HydrophobicContact CG2-CB 4.42Å; V2246-V2262 HydrophobicContact CG2-CG2 3.86Å |
| 2247 | H | 79.8 | Confident | 66.7 | Low | 38 Ų | 38 | 48.3 Ų | 48.3 | 18% | 0.176 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 122.4 | 170 | -65.1 | -106.5 | 0 | 0 | 0 | 109.2 | A2210 Y2211 L2245 S2258 P2259 | A2210-H2247 CarbonylContact C-O 3.51Å; A2210-H2247 WeakPolarHBondContact CA-O 3.31Å; A2210-H2247 VanDerWaalsContact CB-O 3.24Å; A2210-H2247 WeakPolarHBondContact CB-O 3.31Å; Y2211-H2247 HydrophobicContact CD1-CB 3.99Å; Y2211-H2247 HydrophobicContact CD2-CB 3.88Å; Y2211-H2247 AromaticContact CD2-CD2 3.79Å; Y2211-H2247 AromaticContact CD2-CG 3.99Å; Y2211-H2247 HydrophobicContact CE1-CB 3.69Å; Y2211-H2247 HydrophobicContact CE2-CB 3.59Å; Y2211-H2247 AromaticContact CE2-CD2 3.16Å; Y2211-H2247 WeakPolarHBondContact CE2-CD2 3.12Å; Y2211-H2247 AromaticContact CE2-CG 3.29Å; Y2211-H2247 AromaticContact CE2-ND1 3.94Å; Y2211-H2247 AromaticContact CE2-NE2 3.78Å; Y2211-H2247 HydrophobicContact CG-CB 4.08Å; Y2211-H2247 VanDerWaalsContact CZ-CB 3.48Å; Y2211-H2247 AromaticContact CZ-CD2 3.72Å; Y2211-H2247 AromaticContact CZ-CG 3.34Å; Y2211-H2247 AromaticContact CZ-ND1 3.67Å; Y2211-H2247 PolarHBondContact N-O 3.45Å; Y2211-H2247 PolarHBondContact O-N 2.8Å; Y2211-H2247 PolarHBondContact OH-ND1 2.87Å; L2245-H2247 PolarHBondContact O-N 3.13Å; H2247-S2258 WeakPolarHBondContact CA-OG 3.48Å; H2247-P2259 HydrophobicContact CB-CB 4.5Å |
| 2248 | V | 79.6 | Confident | 66.1 | Low | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 133.8 | 165.9 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | F2197 M2208 A2210 V2234 V2246 P2254 V2255 S2258 F2260 | F2197-V2248 HydrophobicContact CE2-CG2 4.29Å; F2197-V2248 HydrophobicContact CZ-CG2 4.02Å; M2208-V2248 HydrophobicContact CG-CG1 3.98Å; M2208-V2248 HydrophobicContact SD-CG1 3.92Å; A2210-V2248 HydrophobicContact CB-CB 4.44Å; A2210-V2248 HydrophobicContact CB-CG2 4.03Å; V2234-V2248 HydrophobicContact CG1-CG2 4.21Å; V2234-V2248 HydrophobicContact CG2-CG1 4.34Å; V2234-V2248 HydrophobicContact CG2-CG2 3.91Å; V2246-V2248 HydrophobicContact CG1-CG2 4.28Å; V2246-V2248 PolarHBondContact O-N 2.78Å; V2248-P2254 WeakPolarHBondContact O-CA 3.45Å; V2248-V2255 HydrophobicContact CB-CG2 3.82Å; V2248-V2255 HydrophobicContact CG1-CG1 4.37Å; V2248-V2255 HydrophobicContact CG1-CG2 3.9Å; V2248-V2255 PolarHBondContact O-N 2.83Å; V2248-S2258 PolarHBondContact N-OG 3.42Å; V2248-S2258 VanDerWaalsContact O-CB 3.3Å; V2248-S2258 WeakPolarHBondContact O-CB 3.45Å; V2248-S2258 PolarHBondContact O-OG 3.49Å; V2248-F2260 HydrophobicContact CB-CD2 4.49Å; V2248-F2260 HydrophobicContact CB-CE2 3.97Å; V2248-F2260 HydrophobicContact CG2-CD2 3.85Å; V2248-F2260 HydrophobicContact CG2-CE2 3.72Å |
| 2249 | L | 74.2 | Confident | 65.9 | Low | 12 Ų | 12 | 49.1 Ų | 49.1 | 6% | 0.063 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 145.5 | -175.6 | -51 | 167.7 | 0 | 0 | 0 | 109 | M2208 R2209 Y2211 E2252 R2253 P2254 | M2208-L2249 CarbonylContact C-O 3.55Å; M2208-L2249 VanDerWaalsContact CA-O 3.25Å; M2208-L2249 WeakPolarHBondContact CA-O 3.3Å; M2208-L2249 WeakPolarHBondContact CG-O 3.26Å; R2209-L2249 HydrophobicContact CB-CB 4.4Å; R2209-L2249 HydrophobicContact CB-CD1 4.48Å; R2209-L2249 HydrophobicContact CG-CD1 4.48Å; R2209-L2249 PolarHBondContact N-O 2.92Å; R2209-L2249 PolarHBondContact O-N 3.06Å; R2209-L2249 VanDerWaalsContact O-O 3.09Å; Y2211-L2249 HydrophobicContact CD1-CD1 4.34Å; Y2211-L2249 HydrophobicContact CE1-CD1 4.07Å; L2249-E2252 WeakPolarHBondContact CD1-OE2 3.39Å; L2249-R2253 CarbonylContact C-O 3.53Å; L2249-R2253 WeakPolarHBondContact CA-O 3.35Å; L2249-P2254 HydrophobicContact CD2-CB 4.18Å |
| 2250 | M | 71.3 | Confident | 66 | Low | 16 Ų | 16 | 43.5 Ų | 43.5 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 119.8 | 163.4 | -170.6 | 74.9 | 103.4 | 0 | 0 | 107.2 | Y2201 M2208 E2252 R2253 V2255 | Y2201-M2250 HydrophobicContact CD1-CE 3.41Å; Y2201-M2250 VanDerWaalsContact CD1-CE 3.41Å; Y2201-M2250 HydrophobicContact CE1-CE 3.46Å; Y2201-M2250 VanDerWaalsContact CE1-CE 3.46Å; Y2201-M2250 HydrophobicContact CG-CE 4.08Å; M2208-M2250 HydrophobicContact CB-SD 3.75Å; M2208-M2250 HydrophobicContact CE-CE 3.6Å; M2208-M2250 HydrophobicContact CE-SD 4.15Å; M2208-M2250 HydrophobicContact CG-SD 4.24Å; M2250-E2252 VanDerWaalsContact C-N 3.29Å; M2250-E2252 PolarHBondContact O-N 3.05Å; M2250-R2253 PolarHBondContact N-O 2.83Å; M2250-R2253 WeakPolarHBondContact O-CB 3.41Å; M2250-R2253 PolarHBondContact O-N 3.04Å; M2250-V2255 HydrophobicContact CB-CG1 3.92Å |
| 2251 | D | 68.6 | Low | 66.6 | Low | 88 Ų | 88 | 47.1 Ų | 47.1 | 47% | 0.471 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 49.2 | -174.5 | -56.5 | -59.7 | 0 | 0 | 0 | 112.1 | G2206 R2207 R2253 | G2206-D2251 WeakPolarHBondContact CA-OD2 3.49Å; R2207-D2251 WeakPolarHBondContact CB-OD1 3.44Å; R2207-D2251 PolarHBondContact N-OD1 3.36Å; R2207-D2251 PolarHBondContact N-OD2 3.1Å; R2207-D2251 PolarHBondContact O-N 3.03Å; D2251-R2253 PolarHBondContact O-N 3.22Å |
| 2252 | E | 63.4 | Low | 67.4 | Low | 116 Ų | 116 | 43.7 Ų | 43.7 | 54% | 0.542 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 8.7 | -174.8 | -57 | -66.6 | 154.8 | 0 | 0 | 115.7 | R2209 L2249 M2250 | R2209-E2252 WeakPolarHBondContact CD-OE1 3.39Å; R2209-E2252 IonicContact NH1-OE1 2.74Å; R2209-E2252 PolarHBondContact NH1-OE1 3.25Å; R2209-E2252 IonicContact NH1-OE2 2.68Å; L2249-E2252 WeakPolarHBondContact CD1-OE2 3.39Å; M2250-E2252 VanDerWaalsContact C-N 3.29Å; M2250-E2252 PolarHBondContact O-N 3.05Å |
| 2253 | R | 51.2 | Low | 67.8 | Low | 148 Ų | 148 | 43.5 Ų | 43.5 | 56% | 0.558 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 131.5 | 175 | -62 | 163.1 | 173.1 | -103.7 | -10.2 | 111.4 | E2165 L2249 M2250 D2251 V2255 | E2165-R2253 IonicContact OE2-CZ 3.48Å; E2165-R2253 IonicContact OE2-NH1 3.41Å; E2165-R2253 PolarHBondContact OE2-NH1 2.84Å; E2165-R2253 IonicContact OE2-NH2 3.62Å; E2165-R2253 PolarHBondContact OE2-NH2 2.91Å; L2249-R2253 CarbonylContact C-O 3.53Å; L2249-R2253 WeakPolarHBondContact CA-O 3.35Å; M2250-R2253 PolarHBondContact N-O 2.83Å; M2250-R2253 WeakPolarHBondContact O-CB 3.41Å; M2250-R2253 PolarHBondContact O-N 3.04Å; D2251-R2253 PolarHBondContact O-N 3.22Å; R2253-V2255 PolarHBondContact O-N 2.88Å |
| 2254 | P | 59.1 | Low | 67.9 | Low | 52 Ų | 52 | 43 Ų | 43 | 34% | 0.338 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 130.7 | -178.8 | 24.5 | -32.7 | 0 | 0 | 0 | 113 | V2248 L2249 | V2248-P2254 WeakPolarHBondContact O-CA 3.45Å; L2249-P2254 HydrophobicContact CD2-CB 4.18Å |
| 2255 | V | 67.5 | Low | 67 | Low | 6 Ų | 6 | 44 Ų | 44 | 4% | 0.036 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -73.2 | 150.1 | 176.5 | -55.4 | 0 | 0 | 0 | 0 | 110.9 | L2179 V2248 M2250 R2253 G2257 S2258 F2260 | L2179-V2255 HydrophobicContact CD1-CB 4.27Å; V2248-V2255 HydrophobicContact CB-CG2 3.82Å; V2248-V2255 HydrophobicContact CG1-CG1 4.37Å; V2248-V2255 HydrophobicContact CG1-CG2 3.9Å; V2248-V2255 PolarHBondContact O-N 2.83Å; M2250-V2255 HydrophobicContact CB-CG1 3.92Å; R2253-V2255 PolarHBondContact O-N 2.88Å; V2255-G2257 PolarHBondContact O-N 2.94Å; V2255-S2258 WeakPolarHBondContact O-CB 3.15Å; V2255-S2258 PolarHBondContact O-N 3.18Å; V2255-F2260 HydrophobicContact CG2-CE2 4.09Å; V2255-F2260 HydrophobicContact CG2-CZ 4.07Å |
| 2256 | P | 54.8 | Low | 65.6 | Low | 76 Ų | 76 | 48.6 Ų | 48.6 | 49% | 0.494 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.4 | 122.7 | 176.4 | -32.5 | 34.4 | 0 | 0 | 0 | 114.2 | L2179 | L2179-P2256 HydrophobicContact CD1-CB 3.94Å; L2179-P2256 HydrophobicContact CD1-CG 3.84Å |
| 2257 | G | 54.5 | Low | 63.8 | Low | 57 Ų | 57 | 51 Ų | 51 | 59% | 0.588 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.7 | -7.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | V2255 P2259 F2260 | V2255-G2257 PolarHBondContact O-N 2.94Å; G2257-P2259 CarbonylContact O-C 3.42Å; G2257-F2260 WeakPolarHBondContact O-CD1 3.32Å; G2257-F2260 WeakPolarHBondContact O-CE1 3.06Å |
| 2258 | S | 65.5 | Low | 62 | Low | 22 Ų | 22 | 54.8 Ų | 54.8 | 15% | 0.154 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 137.2 | 172.9 | -175.1 | 0 | 0 | 0 | 0 | 111.4 | H2247 V2248 V2255 | H2247-S2258 WeakPolarHBondContact CA-OG 3.48Å; V2248-S2258 PolarHBondContact N-OG 3.42Å; V2248-S2258 VanDerWaalsContact O-CB 3.3Å; V2248-S2258 WeakPolarHBondContact O-CB 3.45Å; V2248-S2258 PolarHBondContact O-OG 3.49Å; V2255-S2258 WeakPolarHBondContact O-CB 3.15Å; V2255-S2258 PolarHBondContact O-N 3.18Å |
| 2259 | P | 65.1 | Low | 60.3 | Low | 43 Ų | 43 | 57.2 Ų | 57.2 | 28% | 0.279 | 30% | 0.302 | S | S | . | . | S | Bend | cis | -76.5 | 135.8 | -3.5 | 29.8 | -33.9 | 0 | 0 | 0 | 113.7 | L2245 V2246 H2247 G2257 R2261 | L2245-P2259 HydrophobicContact CB-CB 4.11Å; V2246-P2259 CarbonylContact O-C 3.54Å; V2246-P2259 WeakPolarHBondContact O-CA 3.11Å; H2247-P2259 HydrophobicContact CB-CB 4.5Å; G2257-P2259 CarbonylContact O-C 3.42Å; P2259-R2261 PolarHBondContact O-N 3.43Å |
| 2260 | F | 70.8 | Confident | 59 | Low | 19 Ų | 19 | 58.5 Ų | 58.5 | 8% | 0.083 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 116.5 | 176 | -56.1 | -70.2 | 0 | 0 | 0 | 110.6 | I2181 I2184 F2197 V2246 V2248 V2255 G2257 V2262 | I2181-F2260 HydrophobicContact CD1-CD1 3.77Å; I2181-F2260 HydrophobicContact CD1-CE1 3.2Å; I2181-F2260 HydrophobicContact CD1-CE2 4.37Å; I2181-F2260 HydrophobicContact CD1-CZ 3.56Å; I2184-F2260 HydrophobicContact CD1-CB 3.78Å; I2184-F2260 HydrophobicContact CD1-CD1 4.08Å; I2184-F2260 HydrophobicContact CD1-CD2 4.47Å; I2184-F2260 HydrophobicContact CD1-CG 3.85Å; F2197-F2260 HydrophobicContact CE2-CD2 4.12Å; F2197-F2260 HydrophobicContact CE2-CE2 4.4Å; F2197-F2260 AromaticContact CZ-CD2 3.98Å; F2197-F2260 HydrophobicContact CZ-CD2 3.98Å; V2246-F2260 HydrophobicContact CB-CB 4.4Å; V2246-F2260 PolarHBondContact N-O 2.66Å; V2246-F2260 PolarHBondContact O-N 3.38Å; V2248-F2260 HydrophobicContact CB-CD2 4.49Å; V2248-F2260 HydrophobicContact CB-CE2 3.97Å; V2248-F2260 HydrophobicContact CG2-CD2 3.85Å; V2248-F2260 HydrophobicContact CG2-CE2 3.72Å; V2255-F2260 HydrophobicContact CG2-CE2 4.09Å; V2255-F2260 HydrophobicContact CG2-CZ 4.07Å; G2257-F2260 WeakPolarHBondContact O-CD1 3.32Å; G2257-F2260 WeakPolarHBondContact O-CE1 3.06Å; F2260-V2262 PolarHBondContact O-N 2.73Å |
| 2261 | R | 70.7 | Confident | 58.3 | Low | 125 Ų | 125 | 61.4 Ų | 61.4 | 47% | 0.472 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 114.6 | 175.3 | -172.9 | 179.2 | -176.2 | -107.4 | 1.8 | 110.3 | A2243 L2245 P2259 E2267 | A2243-R2261 HydrophobicContact CB-CG 4.1Å; L2245-R2261 HydrophobicContact CD2-CB 4.1Å; L2245-R2261 HydrophobicContact CD2-CG 4.21Å; P2259-R2261 PolarHBondContact O-N 3.43Å; R2261-E2267 IonicContact CZ-OE1 2.66Å; R2261-E2267 VanDerWaalsContact CZ-OE1 3.23Å; R2261-E2267 IonicContact NH1-OE1 2.92Å; R2261-E2267 PolarHBondContact NH1-OE1 2.82Å; R2261-E2267 IonicContact NH2-OE1 3.91Å; R2261-E2267 PolarHBondContact NH2-OE1 3.4Å |
| 2262 | V | 70.8 | Confident | 58.2 | Low | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 120.2 | -179.7 | 179.7 | 0 | 0 | 0 | 0 | 109.6 | I2184 L2189 F2236 H2244 V2246 F2260 | I2184-V2262 HydrophobicContact CG2-CG2 4.34Å; L2189-V2262 HydrophobicContact CD1-CG1 3.25Å; F2236-V2262 HydrophobicContact CZ-CB 4.33Å; F2236-V2262 HydrophobicContact CZ-CG1 4.07Å; F2236-V2262 HydrophobicContact CZ-CG2 4.44Å; H2244-V2262 PolarHBondContact N-O 3.06Å; H2244-V2262 PolarHBondContact O-N 3.01Å; V2246-V2262 HydrophobicContact CG2-CB 4.42Å; V2246-V2262 HydrophobicContact CG2-CG2 3.86Å; F2260-V2262 PolarHBondContact O-N 2.73Å |
| 2263 | L | 63.7 | Low | 58.6 | Low | 15 Ų | 15 | 55.2 Ų | 55.2 | 8% | 0.079 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 122.4 | -177.5 | -173.9 | 78.1 | 0 | 0 | 0 | 111.4 | D2186 R2187 E2267 | D2186-L2263 VanDerWaalsContact O-CB 3.29Å; D2186-L2263 WeakPolarHBondContact O-CB 3.39Å; D2186-L2263 PolarHBondContact O-N 3.02Å; D2186-L2263 VanDerWaalsContact O-N 3.16Å; R2187-L2263 HydrophobicContact CG-CD2 4.25Å; L2263-E2267 HydrophobicContact CD1-CB 4.06Å; L2263-E2267 HydrophobicContact CD1-CG 4.48Å; L2263-E2267 HydrophobicContact CD2-CB 3.61Å; L2263-E2267 HydrophobicContact CG-CB 4.49Å |
| 2264 | V | 64.4 | Low | 60 | Low | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 111.6 | 174 | -172.5 | 0 | 0 | 0 | 0 | 107.8 | L2189 V2191 P2238 E2240 N2241 G2242 H2244 | L2189-V2264 HydrophobicContact CB-CG2 4.36Å; V2191-V2264 HydrophobicContact CG2-CG1 4.22Å; P2238-V2264 HydrophobicContact CB-CB 4.39Å; P2238-V2264 HydrophobicContact CB-CG1 4.09Å; P2238-V2264 HydrophobicContact CB-CG2 3.57Å; P2238-V2264 HydrophobicContact CG-CG1 4.14Å; P2238-V2264 HydrophobicContact CG-CG2 3.87Å; E2240-V2264 WeakPolarHBondContact O-CG1 3.36Å; N2241-V2264 CarbonylContact C-O 3.53Å; N2241-V2264 WeakPolarHBondContact CA-O 3.38Å; G2242-V2264 PolarHBondContact N-O 3.46Å; G2242-V2264 PolarHBondContact O-N 2.85Å; H2244-V2264 WeakPolarHBondContact ND1-CG2 3.43Å |
| 2265 | G | 55.6 | Low | 60.9 | Low | 23 Ų | 23 | 49.8 Ų | 49.8 | 24% | 0.237 | 29% | 0.292 | C | S | . | . | S | Bend | trans | 102.1 | -150.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L2189 | L2189-G2265 PolarHBondContact O-N 3.04Å; L2189-G2265 VanDerWaalsContact O-N 3.14Å |
| 2266 | Q | 48.6 | Very low | 61.5 | Low | 162 Ų | 162 | 51.3 Ų | 51.3 | 76% | 0.757 | 31% | 0.308 | S | S | * | . | trans | -124.5 | 148.8 | -178.2 | -71.4 | -178.8 | -35.4 | 0 | 0 | 110.8 | ||||
| 2267 | E | 41.8 | Very low | 62.5 | Low | 50 Ų | 50 | 55.6 Ų | 55.6 | 23% | 0.234 | 32% | 0.322 | C | S | . | . | trans | -118.8 | 89.3 | -165.1 | 179.5 | 175.9 | -134.9 | 0 | 0 | 111.2 | R2187 R2261 L2263 | R2187-E2267 IonicContact CZ-OE2 3.83Å; R2187-E2267 IonicContact NH2-OE2 3.4Å; R2187-E2267 PolarHBondContact NH2-OE2 2.96Å; R2261-E2267 IonicContact CZ-OE1 2.66Å; R2261-E2267 VanDerWaalsContact CZ-OE1 3.23Å; R2261-E2267 IonicContact NH1-OE1 2.92Å; R2261-E2267 PolarHBondContact NH1-OE1 2.82Å; R2261-E2267 IonicContact NH2-OE1 3.91Å; R2261-E2267 PolarHBondContact NH2-OE1 3.4Å; L2263-E2267 HydrophobicContact CD1-CB 4.06Å; L2263-E2267 HydrophobicContact CD1-CG 4.48Å; L2263-E2267 HydrophobicContact CD2-CB 3.61Å; L2263-E2267 HydrophobicContact CG-CB 4.49Å | ||
| 2268 | E | 41.4 | Very low | 63.8 | Low | 117 Ų | 117 | 53 Ų | 53 | 55% | 0.547 | 30% | 0.295 | S | S | . | . | trans | -136.3 | 72.8 | 179.5 | -67.6 | -169.3 | 178.1 | 0 | 0 | 111.9 | G2270 | E2268-G2270 VanDerWaalsContact C-N 3.32Š| ||
| 2269 | T | 42.8 | Very low | 64.7 | Low | 52 Ų | 52 | 52.4 Ų | 52.4 | 32% | 0.319 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -78.7 | -10.3 | 178 | 55.2 | 0 | 0 | 0 | 0 | 114.2 | H2271 Y2341 | T2269-H2271 PolarHBondContact O-N 2.05Å; T2269-H2271 VanDerWaalsContact O-N 3.15Å; T2269-Y2341 HydrophobicContact CG2-CD1 4.23Å; T2269-Y2341 HydrophobicContact CG2-CE1 4.39Å |
| 2270 | G | 48 | Very low | 65.3 | Low | 38 Ų | 38 | 53.5 Ų | 53.5 | 39% | 0.392 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -75.1 | 4.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | E2268 | E2268-G2270 VanDerWaalsContact C-N 3.32Š|
| 2271 | H | 56.1 | Low | 65.9 | Low | 78 Ų | 78 | 58.4 Ų | 58.4 | 36% | 0.361 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -118.8 | 8.3 | -167.4 | -77.8 | -81.2 | 0 | 0 | 0 | 115 | T2269 Q2296 | T2269-H2271 PolarHBondContact O-N 2.05Å; T2269-H2271 VanDerWaalsContact O-N 3.15Å; H2271-Q2296 HydrophobicContact CB-CB 3.67Å; H2271-Q2296 WeakPolarHBondContact CB-O 3.36Å; H2271-Q2296 PolarHBondContact ND1-OE1 2.95Å |
| 2272 | V | 66.2 | Low | 66.4 | Low | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | trans | -97.8 | 125.9 | 176.3 | -177.3 | 0 | 0 | 0 | 0 | 110.6 | V2292 N2293 T2294 A2297 Y2341 I2347 | V2272-V2292 HydrophobicContact CG1-CG1 3.48Å; V2272-V2292 VanDerWaalsContact CG1-CG1 3.48Å; V2272-N2293 WeakPolarHBondContact CA-O 3.24Å; V2272-T2294 HydrophobicContact CG1-CG2 4.27Å; V2272-T2294 HydrophobicContact CG2-CG2 4.34Å; V2272-A2297 HydrophobicContact CG2-CB 3.47Å; V2272-A2297 VanDerWaalsContact CG2-CB 3.47Å; V2272-Y2341 HydrophobicContact CB-CG 4.47Å; V2272-Y2341 HydrophobicContact CG2-CD1 3.67Å; V2272-Y2341 HydrophobicContact CG2-CD2 3.94Å; V2272-Y2341 HydrophobicContact CG2-CE1 3.87Å; V2272-Y2341 HydrophobicContact CG2-CE2 4.12Å; V2272-Y2341 HydrophobicContact CG2-CG 3.7Å; V2272-I2347 HydrophobicContact CB-CG2 4.1Å; V2272-I2347 HydrophobicContact CG1-CD1 4.36Å; V2272-I2347 HydrophobicContact CG1-CG2 3.82Å | ||
| 2273 | T | 71.3 | Confident | 66.9 | Low | 71 Ų | 71 | 59.4 Ų | 59.4 | 44% | 0.436 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 133.1 | -179.1 | 61.8 | 0 | 0 | 0 | 0 | 110.9 | N2293 | T2273-N2293 PolarHBondContact N-O 3.14Å; T2273-N2293 PolarHBondContact O-N 2.86Å |
| 2274 | A | 80.7 | Confident | 67.8 | Low | 17 Ų | 17 | 59.6 Ų | 59.6 | 14% | 0.14 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 146.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L2279 F2291 V2292 I2339 I2347 Y2352 | A2274-L2279 HydrophobicContact CB-CD1 3.82Å; A2274-F2291 CarbonylContact C-O 3.58Å; A2274-F2291 VanDerWaalsContact CA-O 3.26Å; A2274-F2291 WeakPolarHBondContact CA-O 3.15Å; A2274-V2292 HydrophobicContact CB-CG2 3.97Å; A2274-I2339 HydrophobicContact CB-CD1 3.79Å; A2274-I2347 HydrophobicContact CB-CD1 3.58Å; A2274-Y2352 HydrophobicContact CB-CE2 4.13Å |
| 2275 | S | 78.4 | Confident | 68.4 | Low | 69 Ų | 69 | 61.6 Ų | 61.6 | 48% | 0.483 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 136.7 | -178.1 | 61.7 | 0 | 0 | 0 | 0 | 111.7 | F2291 | S2275-F2291 PolarHBondContact N-O 2.82Å; S2275-F2291 PolarHBondContact O-N 3.01Å |
| 2276 | G | 79.5 | Confident | 69.7 | Low | 37 Ų | 37 | 65 Ų | 65 | 38% | 0.381 | 36% | 0.358 | S | S | . | . | trans | 159.5 | 158 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G2278 L2279 | G2276-G2278 PolarHBondContact O-N 2.95Å; G2276-L2279 PolarHBondContact O-N 2.85Å | ||
| 2277 | E | 76.6 | Confident | 71.3 | Confident | 167 Ų | 167 | 65.3 Ų | 65.3 | 78% | 0.78 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -57.9 | -38.4 | -177.1 | -65 | 179 | 147.7 | 0 | 0 | 111.4 | L2279 T2280 H2281 | E2277-L2279 PolarHBondContact O-N 3.27Å; E2277-T2280 PolarHBondContact O-N 3.16Å; E2277-T2280 PolarHBondContact O-OG1 2.87Å; E2277-H2281 CarbonylContact C-O 3.6Å; E2277-H2281 PolarHBondContact O-N 3.25Å; E2277-H2281 VanDerWaalsContact O-O 3.07Å |
| 2278 | G | 81.4 | Confident | 73.4 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -64.8 | -2.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | G2276 T2280 R2289 Y2327 I2337 | G2276-G2278 PolarHBondContact O-N 2.95Å; G2278-T2280 VanDerWaalsContact C-N 3.34Å; G2278-R2289 WeakPolarHBondContact CA-O 3.5Å; G2278-R2289 PolarHBondContact N-O 2.97Å; G2278-Y2327 WeakPolarHBondContact O-CE1 3.49Å; G2278-Y2327 PolarHBondContact O-OH 2.87Å; G2278-I2337 WeakPolarHBondContact O-CD1 3.33Å |
| 2279 | L | 84 | Confident | 75.6 | Confident | 9 Ų | 9 | 64.7 Ų | 64.7 | 5% | 0.047 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -86.1 | -7 | 166.2 | -62.4 | -179.9 | 0 | 0 | 0 | 113 | A2274 G2276 E2277 F2290 I2337 I2339 Y2352 K2353 | A2274-L2279 HydrophobicContact CB-CD1 3.82Å; G2276-L2279 PolarHBondContact O-N 2.85Å; E2277-L2279 PolarHBondContact O-N 3.27Å; L2279-F2290 HydrophobicContact CD1-CB 4.18Å; L2279-F2290 HydrophobicContact CD2-CB 3.7Å; L2279-F2290 HydrophobicContact CD2-CD1 3.71Å; L2279-F2290 HydrophobicContact CD2-CD2 3.71Å; L2279-F2290 HydrophobicContact CD2-CE1 4.19Å; L2279-F2290 HydrophobicContact CD2-CE2 4.19Å; L2279-F2290 HydrophobicContact CD2-CG 3.43Å; L2279-F2290 VanDerWaalsContact CD2-CG 3.43Å; L2279-F2290 HydrophobicContact CD2-CZ 4.41Å; L2279-F2290 HydrophobicContact CG-CB 3.56Å; L2279-F2290 HydrophobicContact CG-CD1 4.41Å; L2279-F2290 HydrophobicContact CG-CD2 4.44Å; L2279-F2290 HydrophobicContact CG-CG 3.93Å; L2279-I2337 HydrophobicContact CD2-CD1 4.23Å; L2279-I2337 HydrophobicContact CD2-CG2 3.98Å; L2279-I2339 HydrophobicContact CD2-CD1 4.25Å; L2279-Y2352 HydrophobicContact CB-CD1 4.16Å; L2279-Y2352 HydrophobicContact CB-CG 4.08Å; L2279-Y2352 HydrophobicContact CD1-CD1 4.01Å; L2279-Y2352 HydrophobicContact CD1-CD2 4.25Å; L2279-Y2352 HydrophobicContact CD1-CE1 4.01Å; L2279-Y2352 HydrophobicContact CD1-CE2 4.24Å; L2279-Y2352 HydrophobicContact CD1-CG 4.15Å; L2279-Y2352 HydrophobicContact CD2-CD2 3.79Å; L2279-Y2352 HydrophobicContact CD2-CE2 4.38Å; L2279-Y2352 HydrophobicContact CD2-CG 3.93Å; L2279-Y2352 HydrophobicContact CG-CD1 4.47Å; L2279-Y2352 HydrophobicContact CG-CD2 4.47Å; L2279-Y2352 HydrophobicContact CG-CG 4.26Å; L2279-K2353 CarbonylContact O-C 3.57Å |
| 2280 | T | 79.2 | Confident | 77.9 | Confident | 67 Ų | 67 | 62.2 Ų | 62.2 | 41% | 0.411 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.9 | -36.8 | -169.4 | 65.1 | 0 | 0 | 0 | 0 | 113.5 | E2277 G2278 A2354 I2355 | E2277-T2280 PolarHBondContact O-N 3.16Å; E2277-T2280 PolarHBondContact O-OG1 2.87Å; G2278-T2280 VanDerWaalsContact C-N 3.34Å; T2280-A2354 WeakPolarHBondContact O-CA 3.47Å; T2280-I2355 PolarHBondContact O-N 2.8Å |
| 2281 | H | 82.7 | Confident | 79.9 | Confident | 121 Ų | 121 | 61.6 Ų | 61.6 | 56% | 0.56 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 155.7 | -174.9 | -61.9 | 86.9 | 0 | 0 | 0 | 110.2 | E2277 I2355 | E2277-H2281 CarbonylContact C-O 3.6Å; E2277-H2281 PolarHBondContact O-N 3.25Å; E2277-H2281 VanDerWaalsContact O-O 3.07Å; H2281-I2355 CarbonylContact C-O 3.6Å; H2281-I2355 WeakPolarHBondContact CA-O 3.37Å |
| 2282 | G | 81.4 | Confident | 81.3 | Confident | 11 Ų | 11 | 57.9 Ų | 57.9 | 11% | 0.113 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | -179 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | N2288 I2355 V2356 T2357 | G2282-N2288 WeakPolarHBondContact CA-OD1 3.33Å; G2282-I2355 PolarHBondContact N-O 2.83Å; G2282-V2356 WeakPolarHBondContact O-CA 3.24Å; G2282-T2357 PolarHBondContact O-N 2.81Å; G2282-T2357 PolarHBondContact O-OG1 2.83Å |
| 2283 | R | 80.8 | Confident | 82 | Confident | 138 Ų | 138 | 60.2 Ų | 60.2 | 52% | 0.521 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 146 | 173 | -88.5 | -174.5 | 157.4 | -145.9 | -9.4 | 113.1 | E2286 N2288 P2329 T2357 | R2283-E2286 HydrophobicContact CB-CB 3.89Å; R2283-E2286 HydrophobicContact CB-CG 3.93Å; R2283-E2286 VanDerWaalsContact CD-CD 3.47Å; R2283-E2286 WeakPolarHBondContact CD-OE1 3.42Å; R2283-E2286 WeakPolarHBondContact CD-OE2 3.5Å; R2283-E2286 IonicContact NH1-OE1 2.67Å; R2283-E2286 PolarHBondContact NH1-OE1 2.82Å; R2283-E2286 PolarHBondContact O-N 2.92Å; R2283-N2288 PolarHBondContact N-OD1 3.22Å; R2283-N2288 PolarHBondContact O-ND2 2.91Å; R2283-N2288 VanDerWaalsContact O-ND2 3.12Å; R2283-P2329 WeakPolarHBondContact O-CG 3.44Å; R2283-T2357 VanDerWaalsContact CA-O 3.27Å; R2283-T2357 WeakPolarHBondContact CA-O 3.22Å |
| 2284 | V | 82.2 | Confident | 82.2 | Confident | 18 Ų | 18 | 57.7 Ų | 57.7 | 11% | 0.109 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 132.9 | 172.8 | -169.6 | 0 | 0 | 0 | 0 | 109.2 | E2286 L2330 P2332 V2356 T2357 D2359 V2361 | V2284-E2286 PolarHBondContact O-N 3.21Å; V2284-L2330 WeakPolarHBondContact CG1-O 3.42Å; V2284-P2332 HydrophobicContact CG2-CB 3.87Å; V2284-P2332 HydrophobicContact CG2-CG 4.42Å; V2284-V2356 HydrophobicContact CG2-CG1 3.78Å; V2284-T2357 PolarHBondContact N-O 3.45Å; V2284-D2359 WeakPolarHBondContact CB-O 3.49Å; V2284-D2359 WeakPolarHBondContact CG1-O 3.17Å; V2284-V2361 HydrophobicContact CG1-CB 4.35Å; V2284-V2361 HydrophobicContact CG1-CG2 3.72Å |
| 2285 | G | 76.7 | Confident | 81.4 | Confident | 44 Ų | 44 | 61 Ų | 61 | 45% | 0.454 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | -3.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L2328 P2329 | G2285-L2328 WeakPolarHBondContact O-CD1 3.36Å; G2285-P2329 PolarHBondContact N-O 2.78Å |
| 2286 | E | 82.9 | Confident | 80.2 | Confident | 95 Ų | 95 | 63.7 Ų | 63.7 | 44% | 0.444 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -102.2 | 144.7 | 173.8 | -65.1 | -179 | -158.7 | 0 | 0 | 110.4 | R2283 V2284 N2288 | R2283-E2286 HydrophobicContact CB-CB 3.89Å; R2283-E2286 HydrophobicContact CB-CG 3.93Å; R2283-E2286 VanDerWaalsContact CD-CD 3.47Å; R2283-E2286 WeakPolarHBondContact CD-OE1 3.42Å; R2283-E2286 WeakPolarHBondContact CD-OE2 3.5Å; R2283-E2286 IonicContact NH1-OE1 2.67Å; R2283-E2286 PolarHBondContact NH1-OE1 2.82Å; R2283-E2286 PolarHBondContact O-N 2.92Å; V2284-E2286 PolarHBondContact O-N 3.21Å; E2286-N2288 PolarHBondContact O-N 2.81Å; E2286-N2288 PolarHBondContact O-ND2 3.14Å |
| 2287 | R | 82.7 | Confident | 78.9 | Confident | 167 Ų | 167 | 62.5 Ų | 62.5 | 63% | 0.63 | 31% | 0.305 | S | S | * | . | trans | -80.1 | 98.4 | 179.3 | -77.4 | -174.4 | 175.1 | 175.2 | -3.8 | 110.6 | L2328 | R2287-L2328 HydrophobicContact CG-CD1 4.14Š| ||
| 2288 | N | 85.9 | Confident | 77.9 | Confident | 16 Ų | 16 | 55.8 Ų | 55.8 | 9% | 0.086 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 136.1 | 179.4 | -54.9 | -66.2 | 0 | 0 | 0 | 109.6 | G2282 R2283 E2286 T2326 Y2327 P2329 | G2282-N2288 WeakPolarHBondContact CA-OD1 3.33Å; R2283-N2288 PolarHBondContact N-OD1 3.22Å; R2283-N2288 PolarHBondContact O-ND2 2.91Å; R2283-N2288 VanDerWaalsContact O-ND2 3.12Å; E2286-N2288 PolarHBondContact O-N 2.81Å; E2286-N2288 PolarHBondContact O-ND2 3.14Å; N2288-T2326 CarbonylContact O-C 3.54Å; N2288-T2326 VanDerWaalsContact O-CA 3.25Å; N2288-T2326 WeakPolarHBondContact O-CA 3.34Å; N2288-Y2327 HydrophobicContact CB-CD1 4.13Å; N2288-Y2327 HydrophobicContact CB-CE1 3.59Å; N2288-Y2327 HydrophobicContact CB-CE2 4.23Å; N2288-Y2327 PolarHBondContact N-O 2.84Å; N2288-Y2327 PolarHBondContact O-N 2.91Å; N2288-P2329 WeakPolarHBondContact ND2-CD 3.49Å; N2288-P2329 VanDerWaalsContact ND2-CG 3.26Å; N2288-P2329 WeakPolarHBondContact ND2-CG 3.43Å |
| 2289 | R | 88.6 | Confident | 76.7 | Confident | 138 Ų | 138 | 58.3 Ų | 58.3 | 52% | 0.521 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 141.3 | -163.1 | -176.9 | 175.6 | 175.4 | -179.7 | -0.4 | 112.8 | G2278 D2324 F2325 T2326 | G2278-R2289 WeakPolarHBondContact CA-O 3.5Å; G2278-R2289 PolarHBondContact N-O 2.97Å; R2289-D2324 IonicContact CZ-OD1 2.71Å; R2289-D2324 IonicContact CZ-OD2 2.72Å; R2289-D2324 IonicContact NE-OD1 3.67Å; R2289-D2324 PolarHBondContact NE-OD1 2.83Å; R2289-D2324 IonicContact NE-OD2 3.51Å; R2289-D2324 IonicContact NH2-OD1 2.83Å; R2289-D2324 PolarHBondContact NH2-OD1 2.95Å; R2289-D2324 IonicContact NH2-OD2 2.67Å; R2289-D2324 PolarHBondContact NH2-OD2 3.36Å; R2289-F2325 WeakPolarHBondContact CA-O 3.48Å; R2289-T2326 HydrophobicContact CB-CG2 3.93Å; R2289-T2326 HydrophobicContact CG-CG2 3.85Å |
| 2290 | F | 91.5 | Very high | 75.6 | Confident | 1 Ų | 1 | 59 Ų | 59 | 0% | 0.004 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 150.5 | 169 | 60.8 | -94.6 | 0 | 0 | 0 | 112.5 | L2279 V2292 V2304 F2325 Y2327 I2337 I2339 | L2279-F2290 HydrophobicContact CD1-CB 4.18Å; L2279-F2290 HydrophobicContact CD2-CB 3.7Å; L2279-F2290 HydrophobicContact CD2-CD1 3.71Å; L2279-F2290 HydrophobicContact CD2-CD2 3.71Å; L2279-F2290 HydrophobicContact CD2-CE1 4.19Å; L2279-F2290 HydrophobicContact CD2-CE2 4.19Å; L2279-F2290 HydrophobicContact CD2-CG 3.43Å; L2279-F2290 VanDerWaalsContact CD2-CG 3.43Å; L2279-F2290 HydrophobicContact CD2-CZ 4.41Å; L2279-F2290 HydrophobicContact CG-CB 3.56Å; L2279-F2290 HydrophobicContact CG-CD1 4.41Å; L2279-F2290 HydrophobicContact CG-CD2 4.44Å; L2279-F2290 HydrophobicContact CG-CG 3.93Å; F2290-V2292 HydrophobicContact CD2-CG2 4.36Å; F2290-V2292 HydrophobicContact CE2-CG2 4.45Å; F2290-V2304 HydrophobicContact CE2-CG1 4.12Å; F2290-V2304 HydrophobicContact CZ-CG1 3.78Å; F2290-F2325 HydrophobicContact CD1-CB 4.45Å; F2290-F2325 HydrophobicContact CD2-CB 3.87Å; F2290-F2325 HydrophobicContact CD2-CD2 4.37Å; F2290-F2325 HydrophobicContact CD2-CG 4.42Å; F2290-F2325 HydrophobicContact CE1-CB 4.12Å; F2290-F2325 HydrophobicContact CE2-CB 3.48Å; F2290-F2325 VanDerWaalsContact CE2-CB 3.48Å; F2290-F2325 AromaticContact CE2-CD2 3.95Å; F2290-F2325 HydrophobicContact CE2-CD2 3.95Å; F2290-F2325 AromaticContact CE2-CG 3.78Å; F2290-F2325 HydrophobicContact CE2-CG 3.78Å; F2290-F2325 HydrophobicContact CG-CB 4.34Å; F2290-F2325 HydrophobicContact CZ-CB 3.63Å; F2290-F2325 HydrophobicContact CZ-CG 4.15Å; F2290-F2325 PolarHBondContact N-O 2.92Å; F2290-F2325 PolarHBondContact O-N 3.33Å; F2290-F2325 VanDerWaalsContact O-O 3.12Å; F2290-Y2327 HydrophobicContact CD1-CD1 4.35Å; F2290-Y2327 HydrophobicContact CD1-CE1 4.35Å; F2290-Y2327 AromaticContact CE1-CD1 3.98Å; F2290-Y2327 HydrophobicContact CE1-CD1 3.98Å; F2290-Y2327 HydrophobicContact CE1-CE1 4.25Å; F2290-I2337 HydrophobicContact CD1-CD1 4.48Å; F2290-I2337 HydrophobicContact CE1-CD1 4.12Å; F2290-I2337 HydrophobicContact CE1-CG2 3.89Å; F2290-I2337 HydrophobicContact CE2-CG2 4.29Å; F2290-I2337 HydrophobicContact CZ-CG2 3.62Å; F2290-I2339 HydrophobicContact CD2-CD1 3.97Å; F2290-I2339 HydrophobicContact CE2-CD1 3.54Å; F2290-I2339 HydrophobicContact CE2-CG1 4.41Å; F2290-I2339 HydrophobicContact CZ-CD1 4.36Å |
| 2291 | F | 88.2 | Confident | 75.2 | Confident | 24 Ų | 24 | 57.9 Ų | 57.9 | 11% | 0.105 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 136.8 | -176.3 | 169.6 | -108.7 | 0 | 0 | 0 | 110.5 | A2274 S2275 N2293 R2319 D2321 Y2323 D2324 | A2274-F2291 CarbonylContact C-O 3.58Å; A2274-F2291 VanDerWaalsContact CA-O 3.26Å; A2274-F2291 WeakPolarHBondContact CA-O 3.15Å; S2275-F2291 PolarHBondContact N-O 2.82Å; S2275-F2291 PolarHBondContact O-N 3.01Å; F2291-N2293 HydrophobicContact CE1-CB 3.83Å; F2291-N2293 HydrophobicContact CZ-CB 4.26Å; F2291-R2319 HydrophobicContact CE2-CB 4.42Å; F2291-R2319 VanDerWaalsContact CE2-CZ 3.44Å; F2291-D2321 HydrophobicContact CZ-CB 4.17Å; F2291-D2321 WeakPolarHBondContact CZ-O 3.43Å; F2291-Y2323 WeakPolarHBondContact CA-O 3.44Å; F2291-Y2323 WeakPolarHBondContact CD2-O 3.34Å; F2291-D2324 HydrophobicContact CD2-CB 4.41Å |
| 2292 | V | 86.2 | Confident | 75 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 111 | 176 | -173.1 | 0 | 0 | 0 | 0 | 108.6 | V2272 A2274 F2290 T2294 L2302 G2322 Y2323 F2325 I2339 | V2272-V2292 HydrophobicContact CG1-CG1 3.48Å; V2272-V2292 VanDerWaalsContact CG1-CG1 3.48Å; A2274-V2292 HydrophobicContact CB-CG2 3.97Å; F2290-V2292 HydrophobicContact CD2-CG2 4.36Å; F2290-V2292 HydrophobicContact CE2-CG2 4.45Å; V2292-T2294 HydrophobicContact CG1-CG2 4.35Å; V2292-L2302 HydrophobicContact CB-CD2 4.18Å; V2292-L2302 HydrophobicContact CG1-CD1 4.08Å; V2292-L2302 HydrophobicContact CG1-CD2 3.99Å; V2292-G2322 CarbonylContact O-C 3.53Å; V2292-G2322 WeakPolarHBondContact O-CA 3.41Å; V2292-Y2323 PolarHBondContact N-O 3.19Å; V2292-Y2323 PolarHBondContact O-N 3.07Å; V2292-F2325 HydrophobicContact CB-CE2 4.39Å; V2292-F2325 HydrophobicContact CG2-CD2 3.9Å; V2292-F2325 HydrophobicContact CG2-CE2 3.84Å; V2292-I2339 HydrophobicContact CG2-CD1 4.03Å; V2292-I2339 HydrophobicContact CG2-CG2 4.33Å |
| 2293 | N | 80.3 | Confident | 74.9 | Confident | 53 Ų | 53 | 53 Ų | 53 | 28% | 0.283 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 131.5 | 176.7 | -175.2 | -15 | 0 | 0 | 0 | 110.3 | V2272 T2273 F2291 V2295 D2321 | V2272-N2293 WeakPolarHBondContact CA-O 3.24Å; T2273-N2293 PolarHBondContact N-O 3.14Å; T2273-N2293 PolarHBondContact O-N 2.86Å; F2291-N2293 HydrophobicContact CE1-CB 3.83Å; F2291-N2293 HydrophobicContact CZ-CB 4.26Å; N2293-V2295 WeakPolarHBondContact OD1-CG2 3.3Å; N2293-V2295 PolarHBondContact OD1-N 3.32Å; N2293-D2321 WeakPolarHBondContact CA-O 3.08Å; N2293-D2321 PolarHBondContact OD1-O 3.46Å |
| 2294 | T | 75.7 | Confident | 75.1 | Confident | 17 Ų | 17 | 46.4 Ų | 46.4 | 10% | 0.104 | 26% | 0.258 | C | S | . | . | trans | -131 | 13.1 | 177.5 | 65.8 | 0 | 0 | 0 | 0 | 113.4 | V2272 V2292 Q2296 A2297 L2302 D2321 Y2323 T2376 | V2272-T2294 HydrophobicContact CG1-CG2 4.27Å; V2272-T2294 HydrophobicContact CG2-CG2 4.34Å; V2292-T2294 HydrophobicContact CG1-CG2 4.35Å; T2294-Q2296 PolarHBondContact O-N 3.23Å; T2294-Q2296 VanDerWaalsContact O-N 3.17Å; T2294-A2297 PolarHBondContact O-N 3.39Å; T2294-L2302 HydrophobicContact CG2-CD2 4.49Å; T2294-D2321 PolarHBondContact N-O 3.28Å; T2294-Y2323 HydrophobicContact CG2-CD2 4.06Å; T2294-Y2323 HydrophobicContact CG2-CE2 4.33Å; T2294-T2376 HydrophobicContact CG2-CG2 4.39Å | ||
| 2295 | V | 63.8 | Low | 75.1 | Confident | 86 Ų | 86 | 47.1 Ų | 47.1 | 52% | 0.521 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -35.6 | -176.2 | 172.9 | 0 | 0 | 0 | 0 | 113.5 | N2293 D2321 | N2293-V2295 WeakPolarHBondContact OD1-CG2 3.3Å; N2293-V2295 PolarHBondContact OD1-N 3.32Å; V2295-D2321 VanDerWaalsContact CG2-CA 3.41Å; V2295-D2321 HydrophobicContact CG2-CB 3.66Å; V2295-D2321 WeakPolarHBondContact CG2-O 3.4Å |
| 2296 | Q | 53.2 | Low | 75.4 | Confident | 127 Ų | 127 | 45 Ų | 45 | 59% | 0.593 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 6.1 | -177.5 | -68.5 | -179.5 | -5.1 | 0 | 0 | 112.7 | H2271 T2294 | H2271-Q2296 HydrophobicContact CB-CB 3.67Å; H2271-Q2296 WeakPolarHBondContact CB-O 3.36Å; H2271-Q2296 PolarHBondContact ND1-OE1 2.95Å; T2294-Q2296 PolarHBondContact O-N 3.23Å; T2294-Q2296 VanDerWaalsContact O-N 3.17Å |
| 2297 | A | 53 | Low | 75.1 | Confident | 11 Ų | 11 | 43.1 Ų | 43.1 | 9% | 0.091 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -98.5 | 158.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | V2272 T2294 Y2341 | V2272-A2297 HydrophobicContact CG2-CB 3.47Å; V2272-A2297 VanDerWaalsContact CG2-CB 3.47Å; T2294-A2297 PolarHBondContact O-N 3.39Å; A2297-Y2341 HydrophobicContact CB-CE1 4.07Å; A2297-Y2341 HydrophobicContact CB-CE2 4.49Å; A2297-Y2341 WeakPolarHBondContact CB-OH 3.31Å |
| 2298 | G | 54.9 | Low | 74.8 | Confident | 27 Ų | 27 | 35.6 Ų | 35.6 | 28% | 0.278 | 21% | 0.208 | S | C | . | . | trans | -74.6 | -160.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y2341 T2376 | G2298-Y2341 PolarHBondContact N-OH 3.15Å; G2298-Y2341 PolarHBondContact O-OH 3.28Å; G2298-T2376 PolarHBondContact O-OG1 2.84Å | ||
| 2299 | S | 56.5 | Low | 74.1 | Confident | 54 Ų | 54 | 36.3 Ų | 36.3 | 38% | 0.378 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -85.4 | 121.2 | 164.2 | 61.4 | 0 | 0 | 0 | 0 | 110.3 | N2241 T2376 | N2241-S2299 PolarHBondContact ND2-OG 3.34Å; S2299-T2376 VanDerWaalsContact CA-O 3.23Å; S2299-T2376 WeakPolarHBondContact CA-O 3.36Å; S2299-T2376 WeakPolarHBondContact CB-O 3.19Å |
| 2300 | G | 60.7 | Low | 73.5 | Confident | 23 Ų | 23 | 30.2 Ų | 30.2 | 24% | 0.237 | 19% | 0.192 | C | C | . | . | trans | -165.6 | 166.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T2376 | G2300-T2376 PolarHBondContact N-OG1 3.05Å; G2300-T2376 WeakPolarHBondContact O-CB 3.18Å; G2300-T2376 WeakPolarHBondContact O-CG2 3.01Å; G2300-T2376 PolarHBondContact O-N 2.89Å; G2300-T2376 PolarHBondContact O-OG1 3.12Å | ||
| 2301 | A | 70.5 | Confident | 72.7 | Confident | 44 Ų | 44 | 35.6 Ų | 35.6 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 126.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y2341 G2342 V2373 | A2301-Y2341 WeakPolarHBondContact O-CA 3.49Å; A2301-G2342 PolarHBondContact O-N 2.79Å; A2301-V2373 HydrophobicContact CB-CG1 4.27Å |
| 2302 | L | 78.5 | Confident | 72.2 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 110.5 | 171.2 | 178.5 | 62.9 | 0 | 0 | 0 | 108.9 | V2292 T2294 Y2323 F2325 I2339 K2340 Y2341 V2373 V2374 T2376 | V2292-L2302 HydrophobicContact CB-CD2 4.18Å; V2292-L2302 HydrophobicContact CG1-CD1 4.08Å; V2292-L2302 HydrophobicContact CG1-CD2 3.99Å; T2294-L2302 HydrophobicContact CG2-CD2 4.49Å; L2302-Y2323 HydrophobicContact CD2-CD2 3.85Å; L2302-Y2323 HydrophobicContact CD2-CG 4.04Å; L2302-F2325 HydrophobicContact CD2-CE2 3.94Å; L2302-F2325 HydrophobicContact CD2-CZ 4.08Å; L2302-F2325 HydrophobicContact CG-CZ 4.46Å; L2302-I2339 HydrophobicContact CD1-CG2 3.85Å; L2302-K2340 CarbonylContact C-O 3.4Å; L2302-K2340 WeakPolarHBondContact CA-O 3.49Å; L2302-Y2341 HydrophobicContact CB-CD2 4.18Å; L2302-Y2341 HydrophobicContact CD1-CD2 4.27Å; L2302-V2373 CarbonylContact O-C 3.4Å; L2302-V2373 WeakPolarHBondContact O-CA 3.35Å; L2302-V2374 PolarHBondContact N-O 2.75Å; L2302-V2374 PolarHBondContact O-N 2.88Å; L2302-T2376 HydrophobicContact CB-CG2 3.96Å |
| 2303 | S | 80.1 | Confident | 71.8 | Confident | 30 Ų | 30 | 40 Ų | 40 | 21% | 0.21 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 134.8 | 176.5 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | I2339 K2340 V2372 | S2303-I2339 CarbonylContact O-C 3.46Å; S2303-I2339 WeakPolarHBondContact O-CA 3.28Å; S2303-K2340 PolarHBondContact N-O 2.67Å; S2303-K2340 PolarHBondContact O-N 2.72Å; S2303-V2372 WeakPolarHBondContact CA-O 3.06Å |
| 2304 | V | 84.8 | Confident | 71.9 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 132.2 | 178.3 | 177.1 | 0 | 0 | 0 | 0 | 109.2 | F2290 L2314 F2325 S2338 I2339 H2371 V2372 | F2290-V2304 HydrophobicContact CE2-CG1 4.12Å; F2290-V2304 HydrophobicContact CZ-CG1 3.78Å; V2304-L2314 HydrophobicContact CB-CD2 4.42Å; V2304-L2314 HydrophobicContact CG1-CD1 4.41Å; V2304-L2314 HydrophobicContact CG1-CD2 4.01Å; V2304-F2325 HydrophobicContact CB-CD1 4.16Å; V2304-F2325 HydrophobicContact CB-CE1 3.71Å; V2304-F2325 HydrophobicContact CB-CZ 4.11Å; V2304-F2325 HydrophobicContact CG1-CD1 4.11Å; V2304-F2325 HydrophobicContact CG1-CE1 4.18Å; V2304-F2325 HydrophobicContact CG2-CD1 4.12Å; V2304-F2325 HydrophobicContact CG2-CD2 4.41Å; V2304-F2325 HydrophobicContact CG2-CE1 3.5Å; V2304-F2325 HydrophobicContact CG2-CE2 3.85Å; V2304-F2325 HydrophobicContact CG2-CZ 3.36Å; V2304-S2338 CarbonylContact C-O 3.56Å; V2304-S2338 WeakPolarHBondContact CA-O 3.45Å; V2304-I2339 HydrophobicContact CG1-CG1 4.31Å; V2304-I2339 HydrophobicContact CG2-CB 4.47Å; V2304-I2339 HydrophobicContact CG2-CG1 4.14Å; V2304-I2339 HydrophobicContact CG2-CG2 4.1Å; V2304-H2371 CarbonylContact O-C 3.56Å; V2304-H2371 WeakPolarHBondContact O-CA 3.33Å; V2304-V2372 PolarHBondContact N-O 3.42Å; V2304-V2372 PolarHBondContact O-N 2.83Å |
| 2305 | T | 81.8 | Confident | 72.1 | Confident | 32 Ų | 32 | 40.2 Ų | 40.2 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 131.9 | 179.8 | -38.6 | 0 | 0 | 0 | 0 | 109.1 | I2337 S2338 T2369 T2370 H2371 | T2305-I2337 CarbonylContact O-C 3.55Å; T2305-I2337 WeakPolarHBondContact O-CA 3.21Å; T2305-S2338 PolarHBondContact N-O 3.38Å; T2305-S2338 PolarHBondContact O-N 2.85Å; T2305-T2369 HydrophobicContact CG2-CG2 3.33Å; T2305-T2370 CarbonylContact C-O 3.5Å; T2305-T2370 VanDerWaalsContact CA-O 3.23Å; T2305-T2370 WeakPolarHBondContact CA-O 3.38Å; T2305-T2370 VanDerWaalsContact CG2-O 3.31Å; T2305-T2370 WeakPolarHBondContact CG2-O 3.49Å; T2305-H2371 HydrophobicContact CG2-CB 4.19Å |
| 2306 | V | 83.5 | Confident | 73.1 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 124.2 | 173.6 | -176 | 0 | 0 | 0 | 0 | 108.5 | V2312 L2314 Y2327 Y2335 L2336 I2337 T2370 | V2306-V2312 HydrophobicContact CB-CG2 3.77Å; V2306-V2312 HydrophobicContact CG1-CG1 4.43Å; V2306-V2312 HydrophobicContact CG1-CG2 3.73Å; V2306-L2314 HydrophobicContact CG2-CD1 4Å; V2306-L2314 HydrophobicContact CG2-CD2 4.22Å; V2306-Y2327 HydrophobicContact CG1-CD2 4.23Å; V2306-Y2327 HydrophobicContact CG1-CG 4.48Å; V2306-Y2335 HydrophobicContact CG1-CD1 4.18Å; V2306-L2336 WeakPolarHBondContact CA-O 3.09Å; V2306-I2337 HydrophobicContact CG1-CG1 4.18Å; V2306-I2337 HydrophobicContact CG2-CG1 4.15Å; V2306-I2337 HydrophobicContact CG2-CG2 4.26Å; V2306-T2370 PolarHBondContact N-O 2.91Å; V2306-T2370 PolarHBondContact O-N 2.99Å |
| 2307 | D | 76 | Confident | 74.3 | Confident | 54 Ų | 54 | 36.1 Ų | 36.1 | 29% | 0.289 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 150.5 | -178.4 | -163.1 | 41.2 | 0 | 0 | 0 | 110.1 | Y2335 L2336 T2369 | D2307-Y2335 CarbonylContact O-C 3.42Å; D2307-Y2335 WeakPolarHBondContact O-CA 3.09Å; D2307-L2336 PolarHBondContact N-O 3.32Å; D2307-L2336 PolarHBondContact O-N 3.32Å; D2307-T2369 HydrophobicContact CB-CG2 4.13Å; D2307-T2369 WeakPolarHBondContact OD1-CA 3.47Å; D2307-T2369 WeakPolarHBondContact OD1-CB 3.25Å; D2307-T2369 PolarHBondContact OD1-OG1 2.96Å |
| 2308 | G | 77.8 | Confident | 75.4 | Confident | 9 Ų | 9 | 41.7 Ų | 41.7 | 9% | 0.093 | 25% | 0.247 | C | C | . | . | S | Bend | trans | 157.3 | -172.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | S2310 | G2308-S2310 PolarHBondContact O-N 2.59Š|
| 2309 | P | 71.6 | Confident | 76.3 | Confident | 31 Ų | 31 | 44.6 Ų | 44.6 | 20% | 0.201 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -72.9 | 7.8 | -169.4 | 28.9 | -36.8 | 0 | 0 | 0 | 116 | S2331 P2332 E2334 Y2335 | P2309-S2331 WeakPolarHBondContact O-CB 3.19Å; P2309-S2331 PolarHBondContact O-OG 3.01Å; P2309-P2332 WeakPolarHBondContact CG-O 3.46Å; P2309-E2334 WeakPolarHBondContact CD-O 3.38Å; P2309-Y2335 HydrophobicContact CG-CE2 3.8Å |
| 2310 | S | 74.6 | Confident | 76.8 | Confident | 11 Ų | 11 | 47.3 Ų | 47.3 | 8% | 0.077 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -153.4 | 149 | 160.3 | 63.7 | 0 | 0 | 0 | 0 | 110.3 | G2308 V2312 L2330 S2331 Y2335 | G2308-S2310 PolarHBondContact O-N 2.59Å; S2310-V2312 WeakPolarHBondContact O-CG1 3.28Å; S2310-V2312 PolarHBondContact O-N 3.34Å; S2310-L2330 PolarHBondContact OG-N 3.42Å; S2310-S2331 PolarHBondContact OG-N 2.9Å; S2310-S2331 VanDerWaalsContact OG-N 3.16Å; S2310-Y2335 PolarHBondContact N-OH 3.46Å; S2310-Y2335 PolarHBondContact OG-OH 2.76Å |
| 2311 | K | 74.2 | Confident | 77.3 | Confident | 113 Ų | 113 | 48.5 Ų | 48.5 | 49% | 0.491 | 27% | 0.269 | S | S | . | . | trans | -60.4 | 130.6 | 169.7 | -153.8 | -170.5 | -160.7 | 83.4 | 0 | 109.3 | D2368 | K2311-D2368 HydrophobicContact CB-CB 4.07Å; K2311-D2368 WeakPolarHBondContact CD-OD2 3.14Å; K2311-D2368 WeakPolarHBondContact CE-OD2 3.46Å; K2311-D2368 HydrophobicContact CG-CB 4.19Å; K2311-D2368 WeakPolarHBondContact CG-OD2 3.11Å; K2311-D2368 IonicContact NZ-OD1 2.7Å; K2311-D2368 PolarHBondContact NZ-OD1 3.26Å; K2311-D2368 IonicContact NZ-OD2 3.05Å; K2311-D2368 PolarHBondContact NZ-OD2 2.85Å | ||
| 2312 | V | 79.5 | Confident | 77.8 | Confident | 10 Ų | 10 | 46.6 Ų | 46.6 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | trans | -109.5 | 149.9 | -173.7 | -52.8 | 0 | 0 | 0 | 0 | 112 | V2306 S2310 L2314 Y2327 L2328 P2329 Y2335 T2370 | V2306-V2312 HydrophobicContact CB-CG2 3.77Å; V2306-V2312 HydrophobicContact CG1-CG1 4.43Å; V2306-V2312 HydrophobicContact CG1-CG2 3.73Å; S2310-V2312 WeakPolarHBondContact O-CG1 3.28Å; S2310-V2312 PolarHBondContact O-N 3.34Å; V2312-L2314 PolarHBondContact O-N 2.76Å; V2312-L2314 VanDerWaalsContact O-N 3.16Å; V2312-Y2327 HydrophobicContact CB-CD2 4.23Å; V2312-Y2327 HydrophobicContact CG1-CD2 4.09Å; V2312-Y2327 HydrophobicContact CG2-CD2 4.34Å; V2312-L2328 WeakPolarHBondContact CA-O 3.36Å; V2312-P2329 HydrophobicContact CG1-CB 4.28Å; V2312-Y2335 HydrophobicContact CG1-CD1 3.91Å; V2312-Y2335 HydrophobicContact CG1-CE1 3.49Å; V2312-Y2335 VanDerWaalsContact CG1-CE1 3.49Å; V2312-T2370 HydrophobicContact CG2-CG2 4.19Å; V2312-T2370 PolarHBondContact N-OG1 2.88Å; V2312-T2370 VanDerWaalsContact O-CG2 3.25Å; V2312-T2370 WeakPolarHBondContact O-CG2 3.43Å; V2312-T2370 PolarHBondContact O-OG1 2.91Å | ||
| 2313 | Q | 77.6 | Confident | 78.1 | Confident | 107 Ų | 107 | 47.4 Ų | 47.4 | 50% | 0.5 | 26% | 0.257 | S | S | . | . | trans | -84.7 | 88 | 171.2 | -161.3 | -170.1 | 28.7 | 0 | 0 | 111 | N2315 Y2327 L2328 | Q2313-N2315 PolarHBondContact O-N 3.13Å; Q2313-N2315 PolarHBondContact O-ND2 3.37Å; Q2313-Y2327 WeakPolarHBondContact O-CA 3.13Å; Q2313-L2328 HydrophobicContact CB-CB 4.38Å | ||
| 2314 | L | 81.9 | Confident | 78.4 | Confident | 17 Ų | 17 | 46.2 Ų | 46.2 | 9% | 0.089 | 25% | 0.248 | C | C | . | . | trans | -75.9 | 118.4 | 176.2 | -174.6 | 60.7 | 0 | 0 | 0 | 111.1 | V2304 V2306 V2312 F2325 T2370 V2372 | V2304-L2314 HydrophobicContact CB-CD2 4.42Å; V2304-L2314 HydrophobicContact CG1-CD1 4.41Å; V2304-L2314 HydrophobicContact CG1-CD2 4.01Å; V2306-L2314 HydrophobicContact CG2-CD1 4Å; V2306-L2314 HydrophobicContact CG2-CD2 4.22Å; V2312-L2314 PolarHBondContact O-N 2.76Å; V2312-L2314 VanDerWaalsContact O-N 3.16Å; L2314-F2325 HydrophobicContact CD1-CD1 4.13Å; L2314-T2370 HydrophobicContact CB-CG2 3.63Å; L2314-T2370 HydrophobicContact CD2-CG2 4.49Å; L2314-V2372 HydrophobicContact CB-CG2 4.2Å; L2314-V2372 HydrophobicContact CD2-CB 3.86Å; L2314-V2372 HydrophobicContact CD2-CG2 3.73Å; L2314-V2372 HydrophobicContact CG-CB 4.29Å; L2314-V2372 HydrophobicContact CG-CG2 3.78Å | ||
| 2315 | N | 80.2 | Confident | 78.7 | Confident | 58 Ų | 58 | 46.2 Ų | 46.2 | 31% | 0.31 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 142.4 | 176.9 | -61.9 | -95.5 | 0 | 0 | 0 | 109.7 | Q2313 F2325 T2326 | Q2313-N2315 PolarHBondContact O-N 3.13Å; Q2313-N2315 PolarHBondContact O-ND2 3.37Å; N2315-F2325 CarbonylContact O-C 3.45Å; N2315-F2325 WeakPolarHBondContact O-CA 3.4Å; N2315-T2326 PolarHBondContact N-O 3.47Å; N2315-T2326 PolarHBondContact O-N 3.08Å |
| 2316 | C | 83.2 | Confident | 79 | Confident | 40 Ų | 40 | 46.1 Ų | 46.1 | 27% | 0.27 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 148.6 | 175.5 | -170.2 | 0 | 0 | 0 | 0 | 111.3 | D2324 F2325 V2372 V2374 | C2316-D2324 CarbonylContact C-O 3.57Å; C2316-D2324 WeakPolarHBondContact CA-O 3.49Å; C2316-F2325 HydrophobicContact CB-CD1 3.8Å; C2316-F2325 HydrophobicContact CB-CE1 3.62Å; C2316-F2325 HydrophobicContact CB-CG 4.5Å; C2316-F2325 HydrophobicContact CB-CZ 4.17Å; C2316-F2325 WeakPolarHBondContact SG-CE1 3.45Å; C2316-F2325 WeakPolarHBondContact SG-CZ 3.36Å; C2316-V2372 HydrophobicContact CB-CG1 4.24Å; C2316-V2374 HydrophobicContact CB-CG2 4.29Å |
| 2317 | T | 78.7 | Confident | 79.3 | Confident | 87 Ų | 87 | 46.1 Ų | 46.1 | 53% | 0.534 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 128.8 | 175.3 | 47.9 | 0 | 0 | 0 | 0 | 111.2 | D2324 | T2317-D2324 PolarHBondContact N-O 3.1Å; T2317-D2324 PolarHBondContact O-N 3.13Å; T2317-D2324 WeakPolarHBondContact OG1-CB 3.48Å; T2317-D2324 PolarHBondContact OG1-O 2.88Å |
| 2318 | E | 77.6 | Confident | 79.8 | Confident | 127 Ų | 127 | 45.5 Ų | 45.5 | 59% | 0.593 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 140.2 | 175.6 | -172 | -168.8 | 155.2 | 0 | 0 | 110.9 | Y2323 R2379 | E2318-Y2323 HydrophobicContact CB-CD1 4.49Å; E2318-Y2323 HydrophobicContact CB-CE1 4.15Å; E2318-Y2323 HydrophobicContact CG-CE1 4.08Å; E2318-R2379 IonicContact OE1-NH2 2.82Å; E2318-R2379 PolarHBondContact OE1-NH2 3.33Å |
| 2319 | R | 73.5 | Confident | 80 | Confident | 89 Ų | 89 | 45.1 Ų | 45.1 | 34% | 0.336 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 164 | 168.2 | -73.1 | 170.6 | 45.4 | 170.3 | -5.4 | 110.3 | F2291 D2321 G2322 D2324 | F2291-R2319 HydrophobicContact CE2-CB 4.42Å; F2291-R2319 VanDerWaalsContact CE2-CZ 3.44Å; R2319-D2321 VanDerWaalsContact CB-OD1 3.22Å; R2319-D2321 WeakPolarHBondContact CB-OD1 3.39Å; R2319-D2321 IonicContact CZ-OD1 3.82Å; R2319-D2321 IonicContact CZ-OD2 2.61Å; R2319-D2321 IonicContact NE-OD1 2.81Å; R2319-D2321 PolarHBondContact NE-OD1 2.85Å; R2319-D2321 IonicContact NE-OD2 2.84Å; R2319-D2321 VanDerWaalsContact NH2-CG 3.28Å; R2319-D2321 IonicContact NH2-OD1 2.68Å; R2319-D2321 PolarHBondContact NH2-OD1 2.82Å; R2319-D2321 VanDerWaalsContact NH2-OD1 3.09Å; R2319-D2321 IonicContact NH2-OD2 3.29Å; R2319-D2321 PolarHBondContact NH2-OD2 2.86Å; R2319-D2321 PolarHBondContact O-N 3.15Å; R2319-G2322 WeakPolarHBondContact CA-O 3.36Å; R2319-G2322 PolarHBondContact N-O 3.13Å; R2319-G2322 PolarHBondContact O-N 2.95Å; R2319-D2324 WeakPolarHBondContact CD-OD2 3.24Å; R2319-D2324 IonicContact CZ-OD2 2.78Å; R2319-D2324 IonicContact NE-OD2 3.45Å; R2319-D2324 IonicContact NH1-OD2 3.32Å; R2319-D2324 PolarHBondContact NH1-OD2 3.48Å |
| 2320 | S | 66.5 | Low | 80.4 | Confident | 110 Ų | 110 | 47 Ų | 47 | 77% | 0.769 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -14.9 | 172.6 | 49.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 2321 | D | 71.3 | Confident | 80.5 | Confident | 49 Ų | 49 | 47.1 Ų | 47.1 | 26% | 0.262 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.2 | 7.9 | -176.1 | 56 | -15 | 0 | 0 | 0 | 114.6 | F2291 N2293 T2294 V2295 R2319 | F2291-D2321 HydrophobicContact CZ-CB 4.17Å; F2291-D2321 WeakPolarHBondContact CZ-O 3.43Å; N2293-D2321 WeakPolarHBondContact CA-O 3.08Å; N2293-D2321 PolarHBondContact OD1-O 3.46Å; T2294-D2321 PolarHBondContact N-O 3.28Å; V2295-D2321 VanDerWaalsContact CG2-CA 3.41Å; V2295-D2321 HydrophobicContact CG2-CB 3.66Å; V2295-D2321 WeakPolarHBondContact CG2-O 3.4Å; R2319-D2321 VanDerWaalsContact CB-OD1 3.22Å; R2319-D2321 WeakPolarHBondContact CB-OD1 3.39Å; R2319-D2321 IonicContact CZ-OD1 3.82Å; R2319-D2321 IonicContact CZ-OD2 2.61Å; R2319-D2321 IonicContact NE-OD1 2.81Å; R2319-D2321 PolarHBondContact NE-OD1 2.85Å; R2319-D2321 IonicContact NE-OD2 2.84Å; R2319-D2321 VanDerWaalsContact NH2-CG 3.28Å; R2319-D2321 IonicContact NH2-OD1 2.68Å; R2319-D2321 PolarHBondContact NH2-OD1 2.82Å; R2319-D2321 VanDerWaalsContact NH2-OD1 3.09Å; R2319-D2321 IonicContact NH2-OD2 3.29Å; R2319-D2321 PolarHBondContact NH2-OD2 2.86Å; R2319-D2321 PolarHBondContact O-N 3.15Å |
| 2322 | G | 80.9 | Confident | 80.9 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 144.2 | -143.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V2292 R2319 | V2292-G2322 CarbonylContact O-C 3.53Å; V2292-G2322 WeakPolarHBondContact O-CA 3.41Å; R2319-G2322 WeakPolarHBondContact CA-O 3.36Å; R2319-G2322 PolarHBondContact N-O 3.13Å; R2319-G2322 PolarHBondContact O-N 2.95Å |
| 2323 | Y | 85.6 | Confident | 80.8 | Confident | 17 Ų | 17 | 45 Ų | 45 | 7% | 0.067 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 124 | -170 | -65.3 | -89.5 | 0 | 0 | 0 | 111.3 | F2291 V2292 T2294 L2302 E2318 V2374 E2375 T2376 | F2291-Y2323 WeakPolarHBondContact CA-O 3.44Å; F2291-Y2323 WeakPolarHBondContact CD2-O 3.34Å; V2292-Y2323 PolarHBondContact N-O 3.19Å; V2292-Y2323 PolarHBondContact O-N 3.07Å; T2294-Y2323 HydrophobicContact CG2-CD2 4.06Å; T2294-Y2323 HydrophobicContact CG2-CE2 4.33Å; L2302-Y2323 HydrophobicContact CD2-CD2 3.85Å; L2302-Y2323 HydrophobicContact CD2-CG 4.04Å; E2318-Y2323 HydrophobicContact CB-CD1 4.49Å; E2318-Y2323 HydrophobicContact CB-CE1 4.15Å; E2318-Y2323 HydrophobicContact CG-CE1 4.08Å; Y2323-V2374 HydrophobicContact CD1-CG1 3.89Å; Y2323-V2374 HydrophobicContact CE1-CG1 3.52Å; Y2323-E2375 PolarHBondContact OH-O 3.02Å; Y2323-E2375 VanDerWaalsContact OH-O 3.13Å; Y2323-T2376 HydrophobicContact CD2-CG2 4.23Å; Y2323-T2376 HydrophobicContact CE2-CG2 3.5Å; Y2323-T2376 VanDerWaalsContact CE2-CG2 3.5Å; Y2323-T2376 WeakPolarHBondContact OH-CA 3.42Å |
| 2324 | D | 86.2 | Confident | 81 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 118.4 | 176.9 | -122.5 | -58.9 | 0 | 0 | 0 | 109.8 | R2289 F2291 C2316 T2317 R2319 | R2289-D2324 IonicContact CZ-OD1 2.71Å; R2289-D2324 IonicContact CZ-OD2 2.72Å; R2289-D2324 IonicContact NE-OD1 3.67Å; R2289-D2324 PolarHBondContact NE-OD1 2.83Å; R2289-D2324 IonicContact NE-OD2 3.51Å; R2289-D2324 IonicContact NH2-OD1 2.83Å; R2289-D2324 PolarHBondContact NH2-OD1 2.95Å; R2289-D2324 IonicContact NH2-OD2 2.67Å; R2289-D2324 PolarHBondContact NH2-OD2 3.36Å; F2291-D2324 HydrophobicContact CD2-CB 4.41Å; C2316-D2324 CarbonylContact C-O 3.57Å; C2316-D2324 WeakPolarHBondContact CA-O 3.49Å; T2317-D2324 PolarHBondContact N-O 3.1Å; T2317-D2324 PolarHBondContact O-N 3.13Å; T2317-D2324 WeakPolarHBondContact OG1-CB 3.48Å; T2317-D2324 PolarHBondContact OG1-O 2.88Å; R2319-D2324 WeakPolarHBondContact CD-OD2 3.24Å; R2319-D2324 IonicContact CZ-OD2 2.78Å; R2319-D2324 IonicContact NE-OD2 3.45Å; R2319-D2324 IonicContact NH1-OD2 3.32Å; R2319-D2324 PolarHBondContact NH1-OD2 3.48Å |
| 2325 | F | 90.4 | Very high | 81.1 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 144.4 | 179.6 | -69.5 | -96.9 | 0 | 0 | 0 | 110.8 | R2289 F2290 V2292 L2302 V2304 L2314 N2315 C2316 V2372 V2374 | R2289-F2325 WeakPolarHBondContact CA-O 3.48Å; F2290-F2325 HydrophobicContact CD1-CB 4.45Å; F2290-F2325 HydrophobicContact CD2-CB 3.87Å; F2290-F2325 HydrophobicContact CD2-CD2 4.37Å; F2290-F2325 HydrophobicContact CD2-CG 4.42Å; F2290-F2325 HydrophobicContact CE1-CB 4.12Å; F2290-F2325 HydrophobicContact CE2-CB 3.48Å; F2290-F2325 VanDerWaalsContact CE2-CB 3.48Å; F2290-F2325 AromaticContact CE2-CD2 3.95Å; F2290-F2325 HydrophobicContact CE2-CD2 3.95Å; F2290-F2325 AromaticContact CE2-CG 3.78Å; F2290-F2325 HydrophobicContact CE2-CG 3.78Å; F2290-F2325 HydrophobicContact CG-CB 4.34Å; F2290-F2325 HydrophobicContact CZ-CB 3.63Å; F2290-F2325 HydrophobicContact CZ-CG 4.15Å; F2290-F2325 PolarHBondContact N-O 2.92Å; F2290-F2325 PolarHBondContact O-N 3.33Å; F2290-F2325 VanDerWaalsContact O-O 3.12Å; V2292-F2325 HydrophobicContact CB-CE2 4.39Å; V2292-F2325 HydrophobicContact CG2-CD2 3.9Å; V2292-F2325 HydrophobicContact CG2-CE2 3.84Å; L2302-F2325 HydrophobicContact CD2-CE2 3.94Å; L2302-F2325 HydrophobicContact CD2-CZ 4.08Å; L2302-F2325 HydrophobicContact CG-CZ 4.46Å; V2304-F2325 HydrophobicContact CB-CD1 4.16Å; V2304-F2325 HydrophobicContact CB-CE1 3.71Å; V2304-F2325 HydrophobicContact CB-CZ 4.11Å; V2304-F2325 HydrophobicContact CG1-CD1 4.11Å; V2304-F2325 HydrophobicContact CG1-CE1 4.18Å; V2304-F2325 HydrophobicContact CG2-CD1 4.12Å; V2304-F2325 HydrophobicContact CG2-CD2 4.41Å; V2304-F2325 HydrophobicContact CG2-CE1 3.5Å; V2304-F2325 HydrophobicContact CG2-CE2 3.85Å; V2304-F2325 HydrophobicContact CG2-CZ 3.36Å; L2314-F2325 HydrophobicContact CD1-CD1 4.13Å; N2315-F2325 CarbonylContact O-C 3.45Å; N2315-F2325 WeakPolarHBondContact O-CA 3.4Å; C2316-F2325 HydrophobicContact CB-CD1 3.8Å; C2316-F2325 HydrophobicContact CB-CE1 3.62Å; C2316-F2325 HydrophobicContact CB-CG 4.5Å; C2316-F2325 HydrophobicContact CB-CZ 4.17Å; C2316-F2325 WeakPolarHBondContact SG-CE1 3.45Å; C2316-F2325 WeakPolarHBondContact SG-CZ 3.36Å; F2325-V2372 HydrophobicContact CE1-CG1 4.12Å; F2325-V2374 HydrophobicContact CZ-CG2 4.41Å |
| 2326 | T | 88.1 | Confident | 81.2 | Confident | 31 Ų | 31 | 44 Ų | 44 | 19% | 0.19 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 140.9 | 170.8 | 55.7 | 0 | 0 | 0 | 0 | 110.7 | N2288 R2289 N2315 | N2288-T2326 CarbonylContact O-C 3.54Å; N2288-T2326 VanDerWaalsContact O-CA 3.25Å; N2288-T2326 WeakPolarHBondContact O-CA 3.34Å; R2289-T2326 HydrophobicContact CB-CG2 3.93Å; R2289-T2326 HydrophobicContact CG-CG2 3.85Å; N2315-T2326 PolarHBondContact N-O 3.47Å; N2315-T2326 PolarHBondContact O-N 3.08Å |
| 2327 | Y | 89 | Confident | 81.4 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 149.5 | 172.9 | 72.3 | -79.6 | 0 | 0 | 0 | 111.3 | G2278 N2288 F2290 V2306 V2312 Q2313 P2329 I2337 A2354 V2356 | G2278-Y2327 WeakPolarHBondContact O-CE1 3.49Å; G2278-Y2327 PolarHBondContact O-OH 2.87Å; N2288-Y2327 HydrophobicContact CB-CD1 4.13Å; N2288-Y2327 HydrophobicContact CB-CE1 3.59Å; N2288-Y2327 HydrophobicContact CB-CE2 4.23Å; N2288-Y2327 PolarHBondContact N-O 2.84Å; N2288-Y2327 PolarHBondContact O-N 2.91Å; F2290-Y2327 HydrophobicContact CD1-CD1 4.35Å; F2290-Y2327 HydrophobicContact CD1-CE1 4.35Å; F2290-Y2327 AromaticContact CE1-CD1 3.98Å; F2290-Y2327 HydrophobicContact CE1-CD1 3.98Å; F2290-Y2327 HydrophobicContact CE1-CE1 4.25Å; V2306-Y2327 HydrophobicContact CG1-CD2 4.23Å; V2306-Y2327 HydrophobicContact CG1-CG 4.48Å; V2312-Y2327 HydrophobicContact CB-CD2 4.23Å; V2312-Y2327 HydrophobicContact CG1-CD2 4.09Å; V2312-Y2327 HydrophobicContact CG2-CD2 4.34Å; Q2313-Y2327 WeakPolarHBondContact O-CA 3.13Å; Y2327-P2329 HydrophobicContact CD2-CG 4.39Å; Y2327-P2329 HydrophobicContact CE2-CB 4.38Å; Y2327-P2329 HydrophobicContact CE2-CG 4.11Å; Y2327-I2337 HydrophobicContact CE1-CD1 3.89Å; Y2327-A2354 WeakPolarHBondContact OH-CB 3.36Å; Y2327-V2356 HydrophobicContact CE2-CG2 4.4Å |
| 2328 | L | 86.6 | Confident | 81.4 | Confident | 41 Ų | 41 | 39.4 Ų | 39.4 | 22% | 0.215 | 22% | 0.218 | C | C | . | . | trans | -116.8 | 102.8 | 179.9 | -175.8 | 74.1 | 0 | 0 | 0 | 109.1 | G2285 R2287 V2312 Q2313 L2330 | G2285-L2328 WeakPolarHBondContact O-CD1 3.36Å; R2287-L2328 HydrophobicContact CG-CD1 4.14Å; V2312-L2328 WeakPolarHBondContact CA-O 3.36Å; Q2313-L2328 HydrophobicContact CB-CB 4.38Å; L2328-L2330 HydrophobicContact CD2-CD2 4.41Å; L2328-L2330 HydrophobicContact CG-CD2 4.46Å | ||
| 2329 | P | 81.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -84.6 | 143.1 | 174.2 | 34 | -32.9 | 0 | 0 | 0 | 111.4 | R2283 G2285 N2288 V2312 Y2327 Y2335 V2356 | R2283-P2329 WeakPolarHBondContact O-CG 3.44Å; G2285-P2329 PolarHBondContact N-O 2.78Å; N2288-P2329 WeakPolarHBondContact ND2-CD 3.49Å; N2288-P2329 VanDerWaalsContact ND2-CG 3.26Å; N2288-P2329 WeakPolarHBondContact ND2-CG 3.43Å; V2312-P2329 HydrophobicContact CG1-CB 4.28Å; Y2327-P2329 HydrophobicContact CD2-CG 4.39Å; Y2327-P2329 HydrophobicContact CE2-CB 4.38Å; Y2327-P2329 HydrophobicContact CE2-CG 4.11Å; P2329-Y2335 HydrophobicContact CB-CE1 3.96Å; P2329-Y2335 HydrophobicContact CB-CE2 3.93Å; P2329-Y2335 WeakPolarHBondContact CB-OH 3.46Å; P2329-V2356 HydrophobicContact CB-CG1 3.95Å; P2329-V2356 HydrophobicContact CB-CG2 4.18Å; P2329-V2356 HydrophobicContact CG-CB 4.36Å; P2329-V2356 HydrophobicContact CG-CG1 3.55Å; P2329-V2356 HydrophobicContact CG-CG2 3.86Å | ||
| 2330 | L | 80.7 | Confident | 81.8 | Confident | 72 Ų | 72 | 31 Ų | 31 | 38% | 0.377 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -110.4 | -15.8 | -176.9 | -58.7 | 177.7 | 0 | 0 | 0 | 113.3 | V2284 S2310 L2328 V2361 | V2284-L2330 WeakPolarHBondContact CG1-O 3.42Å; S2310-L2330 PolarHBondContact OG-N 3.42Å; L2328-L2330 HydrophobicContact CD2-CD2 4.41Å; L2328-L2330 HydrophobicContact CG-CD2 4.46Å; L2330-V2361 PolarHBondContact O-N 2.89Å |
| 2331 | S | 77.7 | Confident | 82.1 | Confident | 12 Ų | 12 | 26.3 Ų | 26.3 | 8% | 0.084 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -119.3 | 144.8 | 171.4 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | P2309 S2310 Y2335 | P2309-S2331 WeakPolarHBondContact O-CB 3.19Å; P2309-S2331 PolarHBondContact O-OG 3.01Å; S2310-S2331 PolarHBondContact OG-N 2.9Å; S2310-S2331 VanDerWaalsContact OG-N 3.16Å; S2331-Y2335 WeakPolarHBondContact O-CE2 3.33Å; S2331-Y2335 PolarHBondContact O-OH 2.78Å |
| 2332 | P | 81 | Confident | 81.4 | Confident | 51 Ų | 51 | 24.6 Ų | 24.6 | 33% | 0.331 | 14% | 0.142 | S | C | . | . | trans | -71.1 | 161.3 | 169 | 31.9 | -34.7 | 0 | 0 | 0 | 111.4 | V2284 P2309 V2356 G2358 | V2284-P2332 HydrophobicContact CG2-CB 3.87Å; V2284-P2332 HydrophobicContact CG2-CG 4.42Å; P2309-P2332 WeakPolarHBondContact CG-O 3.46Å; P2332-V2356 WeakPolarHBondContact CA-O 3.19Å; P2332-G2358 WeakPolarHBondContact CB-O 3.46Å; P2332-G2358 WeakPolarHBondContact CG-O 3.44Å | ||
| 2333 | G | 78.6 | Confident | 80.1 | Confident | 28 Ų | 28 | 28.4 Ų | 28.4 | 29% | 0.289 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 128.1 | -163 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | V2356 | G2333-V2356 PolarHBondContact N-O 2.93Å; G2333-V2356 PolarHBondContact O-N 3.26Å |
| 2334 | E | 81.6 | Confident | 78.7 | Confident | 107 Ų | 107 | 31.7 Ų | 31.7 | 50% | 0.5 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 131.9 | -171.5 | -49.2 | -167.2 | 147.3 | 0 | 0 | 111.3 | P2309 K2353 | P2309-E2334 WeakPolarHBondContact CD-O 3.38Å; E2334-K2353 WeakPolarHBondContact OE1-CE 3.49Å; E2334-K2353 IonicContact OE1-NZ 3.44Å; E2334-K2353 PolarHBondContact OE1-NZ 3.26Å; E2334-K2353 WeakPolarHBondContact OE2-CE 3.13Å; E2334-K2353 IonicContact OE2-NZ 2.64Å; E2334-K2353 PolarHBondContact OE2-NZ 2.98Å |
| 2335 | Y | 84.4 | Confident | 77.4 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 128.9 | 178.4 | -70.7 | -101.8 | 0 | 0 | 0 | 110.5 | V2306 D2307 P2309 S2310 V2312 P2329 S2331 A2354 V2356 | V2306-Y2335 HydrophobicContact CG1-CD1 4.18Å; D2307-Y2335 CarbonylContact O-C 3.42Å; D2307-Y2335 WeakPolarHBondContact O-CA 3.09Å; P2309-Y2335 HydrophobicContact CG-CE2 3.8Å; S2310-Y2335 PolarHBondContact N-OH 3.46Å; S2310-Y2335 PolarHBondContact OG-OH 2.76Å; V2312-Y2335 HydrophobicContact CG1-CD1 3.91Å; V2312-Y2335 HydrophobicContact CG1-CE1 3.49Å; V2312-Y2335 VanDerWaalsContact CG1-CE1 3.49Å; P2329-Y2335 HydrophobicContact CB-CE1 3.96Å; P2329-Y2335 HydrophobicContact CB-CE2 3.93Å; P2329-Y2335 WeakPolarHBondContact CB-OH 3.46Å; S2331-Y2335 WeakPolarHBondContact O-CE2 3.33Å; S2331-Y2335 PolarHBondContact O-OH 2.78Å; Y2335-A2354 PolarHBondContact N-O 3.32Å; Y2335-A2354 PolarHBondContact O-N 3.26Å; Y2335-V2356 HydrophobicContact CD2-CB 3.83Å; Y2335-V2356 HydrophobicContact CD2-CG2 3.33Å; Y2335-V2356 HydrophobicContact CE2-CB 3.67Å; Y2335-V2356 HydrophobicContact CE2-CG1 4.27Å; Y2335-V2356 HydrophobicContact CE2-CG2 3.58Å; Y2335-V2356 HydrophobicContact CG-CG2 4.2Å |
| 2336 | L | 81.8 | Confident | 76.2 | Confident | 54 Ų | 54 | 38 Ų | 38 | 28% | 0.283 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 122 | 179.8 | -80.6 | 164 | 0 | 0 | 0 | 110.4 | V2306 D2307 P2351 Y2352 | V2306-L2336 WeakPolarHBondContact CA-O 3.09Å; D2307-L2336 PolarHBondContact N-O 3.32Å; D2307-L2336 PolarHBondContact O-N 3.32Å; L2336-P2351 HydrophobicContact CD2-CB 4.3Å; L2336-Y2352 WeakPolarHBondContact CA-O 3.32Å |
| 2337 | I | 86.6 | Confident | 75.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 94 | -171.5 | -55.8 | 174.6 | 0 | 0 | 0 | 109.1 | G2278 L2279 F2290 T2305 V2306 Y2327 I2339 P2351 Y2352 A2354 | G2278-I2337 WeakPolarHBondContact O-CD1 3.33Å; L2279-I2337 HydrophobicContact CD2-CD1 4.23Å; L2279-I2337 HydrophobicContact CD2-CG2 3.98Å; F2290-I2337 HydrophobicContact CD1-CD1 4.48Å; F2290-I2337 HydrophobicContact CE1-CD1 4.12Å; F2290-I2337 HydrophobicContact CE1-CG2 3.89Å; F2290-I2337 HydrophobicContact CE2-CG2 4.29Å; F2290-I2337 HydrophobicContact CZ-CG2 3.62Å; T2305-I2337 CarbonylContact O-C 3.55Å; T2305-I2337 WeakPolarHBondContact O-CA 3.21Å; V2306-I2337 HydrophobicContact CG1-CG1 4.18Å; V2306-I2337 HydrophobicContact CG2-CG1 4.15Å; V2306-I2337 HydrophobicContact CG2-CG2 4.26Å; Y2327-I2337 HydrophobicContact CE1-CD1 3.89Å; I2337-I2339 HydrophobicContact CG2-CD1 4.28Å; I2337-I2339 HydrophobicContact CG2-CG1 4.11Å; I2337-P2351 WeakPolarHBondContact O-CA 3.46Å; I2337-Y2352 PolarHBondContact N-O 2.99Å; I2337-Y2352 PolarHBondContact O-N 3.46Å; I2337-A2354 HydrophobicContact CD1-CB 3.91Å |
| 2338 | S | 80.3 | Confident | 74.1 | Confident | 30 Ų | 30 | 41 Ų | 41 | 21% | 0.21 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 136.5 | 170.9 | -67 | 0 | 0 | 0 | 0 | 110.5 | V2304 T2305 S2350 | V2304-S2338 CarbonylContact C-O 3.56Å; V2304-S2338 WeakPolarHBondContact CA-O 3.45Å; T2305-S2338 PolarHBondContact N-O 3.38Å; T2305-S2338 PolarHBondContact O-N 2.85Å; S2338-S2350 WeakPolarHBondContact CA-OG 3.34Å |
| 2339 | I | 84.3 | Confident | 73 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 115.2 | 175.9 | -55.5 | -173.3 | 0 | 0 | 0 | 106.4 | A2274 L2279 F2290 V2292 L2302 S2303 V2304 I2337 H2346 I2347 S2350 Y2352 | A2274-I2339 HydrophobicContact CB-CD1 3.79Å; L2279-I2339 HydrophobicContact CD2-CD1 4.25Å; F2290-I2339 HydrophobicContact CD2-CD1 3.97Å; F2290-I2339 HydrophobicContact CE2-CD1 3.54Å; F2290-I2339 HydrophobicContact CE2-CG1 4.41Å; F2290-I2339 HydrophobicContact CZ-CD1 4.36Å; V2292-I2339 HydrophobicContact CG2-CD1 4.03Å; V2292-I2339 HydrophobicContact CG2-CG2 4.33Å; L2302-I2339 HydrophobicContact CD1-CG2 3.85Å; S2303-I2339 CarbonylContact O-C 3.46Å; S2303-I2339 WeakPolarHBondContact O-CA 3.28Å; V2304-I2339 HydrophobicContact CG1-CG1 4.31Å; V2304-I2339 HydrophobicContact CG2-CB 4.47Å; V2304-I2339 HydrophobicContact CG2-CG1 4.14Å; V2304-I2339 HydrophobicContact CG2-CG2 4.1Å; I2337-I2339 HydrophobicContact CG2-CD1 4.28Å; I2337-I2339 HydrophobicContact CG2-CG1 4.11Å; I2339-H2346 WeakPolarHBondContact O-CA 3.09Å; I2339-I2347 HydrophobicContact CB-CD1 3.91Å; I2339-I2347 HydrophobicContact CB-CG1 3.87Å; I2339-I2347 HydrophobicContact CD1-CD1 4.41Å; I2339-I2347 HydrophobicContact CG2-CD1 3.47Å; I2339-I2347 VanDerWaalsContact CG2-CD1 3.47Å; I2339-I2347 HydrophobicContact CG2-CG1 3.78Å; I2339-I2347 HydrophobicContact CG2-CG2 4.31Å; I2339-I2347 PolarHBondContact O-N 2.56Å; I2339-S2350 PolarHBondContact N-OG 3.45Å; I2339-S2350 PolarHBondContact O-OG 3.45Å; I2339-Y2352 HydrophobicContact CB-CE2 4.46Å; I2339-Y2352 HydrophobicContact CD1-CD2 4.12Å; I2339-Y2352 HydrophobicContact CD1-CE2 3.79Å; I2339-Y2352 HydrophobicContact CG1-CD2 4.37Å; I2339-Y2352 HydrophobicContact CG1-CE2 4.16Å |
| 2340 | K | 75 | Confident | 72.5 | Confident | 40 Ų | 40 | 42 Ų | 42 | 17% | 0.174 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 139.1 | -175.8 | -69.1 | 175.1 | 166.1 | -170.7 | 0 | 110 | L2302 S2303 S2344 Q2345 H2346 | L2302-K2340 CarbonylContact C-O 3.4Å; L2302-K2340 WeakPolarHBondContact CA-O 3.49Å; S2303-K2340 PolarHBondContact N-O 2.67Å; S2303-K2340 PolarHBondContact O-N 2.72Å; K2340-S2344 VanDerWaalsContact CD-O 3.28Å; K2340-S2344 WeakPolarHBondContact CD-O 3.47Å; K2340-S2344 WeakPolarHBondContact CE-O 3.37Å; K2340-S2344 WeakPolarHBondContact CG-O 3.38Å; K2340-Q2345 CarbonylContact C-O 3.59Å; K2340-Q2345 WeakPolarHBondContact CA-O 3.34Å; K2340-H2346 WeakPolarHBondContact CE-CD2 3.41Å; K2340-H2346 WeakPolarHBondContact CE-NE2 3.43Å |
| 2341 | Y | 72.8 | Confident | 72 | Confident | 11 Ų | 11 | 41.1 Ų | 41.1 | 4% | 0.043 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 118.3 | -179.1 | 177.9 | -92.7 | 0 | 0 | 0 | 111.4 | T2269 V2272 A2297 G2298 A2301 L2302 Q2345 T2376 | T2269-Y2341 HydrophobicContact CG2-CD1 4.23Å; T2269-Y2341 HydrophobicContact CG2-CE1 4.39Å; V2272-Y2341 HydrophobicContact CB-CG 4.47Å; V2272-Y2341 HydrophobicContact CG2-CD1 3.67Å; V2272-Y2341 HydrophobicContact CG2-CD2 3.94Å; V2272-Y2341 HydrophobicContact CG2-CE1 3.87Å; V2272-Y2341 HydrophobicContact CG2-CE2 4.12Å; V2272-Y2341 HydrophobicContact CG2-CG 3.7Å; A2297-Y2341 HydrophobicContact CB-CE1 4.07Å; A2297-Y2341 HydrophobicContact CB-CE2 4.49Å; A2297-Y2341 WeakPolarHBondContact CB-OH 3.31Å; G2298-Y2341 PolarHBondContact N-OH 3.15Å; G2298-Y2341 PolarHBondContact O-OH 3.28Å; A2301-Y2341 WeakPolarHBondContact O-CA 3.49Å; L2302-Y2341 HydrophobicContact CB-CD2 4.18Å; L2302-Y2341 HydrophobicContact CD1-CD2 4.27Å; Y2341-Q2345 PolarHBondContact N-O 3.47Å; Y2341-T2376 HydrophobicContact CE2-CG2 4.01Å; Y2341-T2376 WeakPolarHBondContact CE2-OG1 3.32Å |
| 2342 | G | 55.8 | Low | 72 | Confident | 14 Ų | 14 | 42.1 Ų | 42.1 | 14% | 0.144 | 25% | 0.248 | C | C | . | . | S | Bend | trans | 72.3 | 110.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A2301 S2344 Q2345 | A2301-G2342 PolarHBondContact O-N 2.79Å; G2342-S2344 VanDerWaalsContact C-N 3.28Å; G2342-S2344 PolarHBondContact O-N 2.54Å; G2342-S2344 VanDerWaalsContact O-N 3.08Å; G2342-Q2345 PolarHBondContact O-N 3.39Å; G2342-Q2345 VanDerWaalsContact O-N 3.12Å |
| 2343 | D | 54.2 | Low | 72 | Confident | 83 Ų | 83 | 42.5 Ų | 42.5 | 44% | 0.444 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44 | 50.1 | 169.4 | -50.2 | -13.5 | 0 | 0 | 0 | 113.7 | Q2345 | D2343-Q2345 PolarHBondContact O-N 3.23Š|
| 2344 | S | 56.7 | Low | 72.1 | Confident | 86 Ų | 86 | 41.1 Ų | 41.1 | 60% | 0.601 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 8.6 | 176.3 | -57.2 | 0 | 0 | 0 | 0 | 118.9 | K2340 G2342 H2346 | K2340-S2344 VanDerWaalsContact CD-O 3.28Å; K2340-S2344 WeakPolarHBondContact CD-O 3.47Å; K2340-S2344 WeakPolarHBondContact CE-O 3.37Å; K2340-S2344 WeakPolarHBondContact CG-O 3.38Å; G2342-S2344 VanDerWaalsContact C-N 3.28Å; G2342-S2344 PolarHBondContact O-N 2.54Å; G2342-S2344 VanDerWaalsContact O-N 3.08Å; S2344-H2346 PolarHBondContact O-N 2.91Å |
| 2345 | Q | 57.4 | Low | 72.2 | Confident | 71 Ų | 71 | 39.5 Ų | 39.5 | 33% | 0.332 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -72.7 | 125.1 | 178.9 | -62.1 | -179.8 | 21.4 | 0 | 0 | 112.3 | K2340 Y2341 G2342 D2343 | K2340-Q2345 CarbonylContact C-O 3.59Å; K2340-Q2345 WeakPolarHBondContact CA-O 3.34Å; Y2341-Q2345 PolarHBondContact N-O 3.47Å; G2342-Q2345 PolarHBondContact O-N 3.39Å; G2342-Q2345 VanDerWaalsContact O-N 3.12Å; D2343-Q2345 PolarHBondContact O-N 3.23Å |
| 2346 | H | 66.2 | Low | 72.1 | Confident | 65 Ų | 65 | 39.6 Ų | 39.6 | 30% | 0.301 | 23% | 0.225 | S | C | . | . | B | Isolated β-bridge | trans | -65.7 | 140.8 | 173.8 | -80.1 | -96.3 | 0 | 0 | 0 | 111.7 | I2339 K2340 S2344 S2350 | I2339-H2346 WeakPolarHBondContact O-CA 3.09Å; K2340-H2346 WeakPolarHBondContact CE-CD2 3.41Å; K2340-H2346 WeakPolarHBondContact CE-NE2 3.43Å; S2344-H2346 PolarHBondContact O-N 2.91Å; H2346-S2350 PolarHBondContact ND1-OG 3.06Å; H2346-S2350 VanDerWaalsContact ND1-OG 3.09Å |
| 2347 | I | 72.9 | Confident | 71.9 | Confident | 12 Ų | 12 | 40.6 Ų | 40.6 | 6% | 0.062 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -79.6 | 166.6 | 172.9 | 71 | 164.3 | 0 | 0 | 0 | 111.8 | V2272 A2274 I2339 G2349 S2350 Y2352 | V2272-I2347 HydrophobicContact CB-CG2 4.1Å; V2272-I2347 HydrophobicContact CG1-CD1 4.36Å; V2272-I2347 HydrophobicContact CG1-CG2 3.82Å; A2274-I2347 HydrophobicContact CB-CD1 3.58Å; I2339-I2347 HydrophobicContact CB-CD1 3.91Å; I2339-I2347 HydrophobicContact CB-CG1 3.87Å; I2339-I2347 HydrophobicContact CD1-CD1 4.41Å; I2339-I2347 HydrophobicContact CG2-CD1 3.47Å; I2339-I2347 VanDerWaalsContact CG2-CD1 3.47Å; I2339-I2347 HydrophobicContact CG2-CG1 3.78Å; I2339-I2347 HydrophobicContact CG2-CG2 4.31Å; I2339-I2347 PolarHBondContact O-N 2.56Å; I2347-G2349 PolarHBondContact O-N 2.91Å; I2347-S2350 WeakPolarHBondContact O-CB 3.31Å; I2347-S2350 PolarHBondContact O-N 2.79Å; I2347-Y2352 HydrophobicContact CD1-CE2 4.36Å; I2347-Y2352 HydrophobicContact CG1-CE2 4.44Å |
| 2348 | I | 59.8 | Low | 71.4 | Confident | 83 Ų | 83 | 42.5 Ų | 42.5 | 43% | 0.426 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 111.7 | -176.9 | -58.2 | 173.8 | 0 | 0 | 0 | 111 | Y2352 | I2348-Y2352 PolarHBondContact O-OH 3.01Š|
| 2349 | G | 62.5 | Low | 71 | Confident | 43 Ų | 43 | 48.2 Ų | 48.2 | 44% | 0.443 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.8 | 0.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | I2347 P2351 Y2352 | I2347-G2349 PolarHBondContact O-N 2.91Å; G2349-P2351 CarbonylContact O-C 3.54Å; G2349-Y2352 VanDerWaalsContact C-CE1 3.48Å; G2349-Y2352 WeakPolarHBondContact O-CD1 3.48Å; G2349-Y2352 WeakPolarHBondContact O-CE1 3.37Å |
| 2350 | S | 72.6 | Confident | 69.8 | Low | 19 Ų | 19 | 51 Ų | 51 | 13% | 0.133 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -92.8 | 142.2 | 178.1 | -173.6 | 0 | 0 | 0 | 0 | 112.7 | S2338 I2339 H2346 I2347 | S2338-S2350 WeakPolarHBondContact CA-OG 3.34Å; I2339-S2350 PolarHBondContact N-OG 3.45Å; I2339-S2350 PolarHBondContact O-OG 3.45Å; H2346-S2350 PolarHBondContact ND1-OG 3.06Å; H2346-S2350 VanDerWaalsContact ND1-OG 3.09Å; I2347-S2350 WeakPolarHBondContact O-CB 3.31Å; I2347-S2350 PolarHBondContact O-N 2.79Å |
| 2351 | P | 69.9 | Low | 69.3 | Low | 55 Ų | 55 | 52.9 Ų | 52.9 | 36% | 0.357 | 32% | 0.319 | S | S | . | . | S | Bend | cis | -72.6 | 135 | -2 | 29.8 | -34.7 | 0 | 0 | 0 | 113.3 | L2336 I2337 G2349 | L2336-P2351 HydrophobicContact CD2-CB 4.3Å; I2337-P2351 WeakPolarHBondContact O-CA 3.46Å; G2349-P2351 CarbonylContact O-C 3.54Å |
| 2352 | Y | 78.5 | Confident | 68.4 | Low | 32 Ų | 32 | 59.8 Ų | 59.8 | 13% | 0.125 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 147.6 | 175.1 | -53.6 | -91.1 | 0 | 0 | 0 | 110.1 | A2274 L2279 L2336 I2337 I2339 I2347 I2348 G2349 | A2274-Y2352 HydrophobicContact CB-CE2 4.13Å; L2279-Y2352 HydrophobicContact CB-CD1 4.16Å; L2279-Y2352 HydrophobicContact CB-CG 4.08Å; L2279-Y2352 HydrophobicContact CD1-CD1 4.01Å; L2279-Y2352 HydrophobicContact CD1-CD2 4.25Å; L2279-Y2352 HydrophobicContact CD1-CE1 4.01Å; L2279-Y2352 HydrophobicContact CD1-CE2 4.24Å; L2279-Y2352 HydrophobicContact CD1-CG 4.15Å; L2279-Y2352 HydrophobicContact CD2-CD2 3.79Å; L2279-Y2352 HydrophobicContact CD2-CE2 4.38Å; L2279-Y2352 HydrophobicContact CD2-CG 3.93Å; L2279-Y2352 HydrophobicContact CG-CD1 4.47Å; L2279-Y2352 HydrophobicContact CG-CD2 4.47Å; L2279-Y2352 HydrophobicContact CG-CG 4.26Å; L2336-Y2352 WeakPolarHBondContact CA-O 3.32Å; I2337-Y2352 PolarHBondContact N-O 2.99Å; I2337-Y2352 PolarHBondContact O-N 3.46Å; I2339-Y2352 HydrophobicContact CB-CE2 4.46Å; I2339-Y2352 HydrophobicContact CD1-CD2 4.12Å; I2339-Y2352 HydrophobicContact CD1-CE2 3.79Å; I2339-Y2352 HydrophobicContact CG1-CD2 4.37Å; I2339-Y2352 HydrophobicContact CG1-CE2 4.16Å; I2347-Y2352 HydrophobicContact CD1-CE2 4.36Å; I2347-Y2352 HydrophobicContact CG1-CE2 4.44Å; I2348-Y2352 PolarHBondContact O-OH 3.01Å; G2349-Y2352 VanDerWaalsContact C-CE1 3.48Å; G2349-Y2352 WeakPolarHBondContact O-CD1 3.48Å; G2349-Y2352 WeakPolarHBondContact O-CE1 3.37Å |
| 2353 | K | 80.7 | Confident | 67.7 | Low | 59 Ų | 59 | 68.3 Ų | 68.3 | 26% | 0.257 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 112.6 | 179.7 | 177.4 | 178.2 | 170.9 | 170.3 | 0 | 110.3 | E2073 L2279 E2334 | E2073-K2353 IonicContact OE1-NZ 2.82Å; E2073-K2353 PolarHBondContact OE1-NZ 2.74Å; E2073-K2353 IonicContact OE2-NZ 3.24Å; L2279-K2353 CarbonylContact O-C 3.57Å; E2334-K2353 WeakPolarHBondContact OE1-CE 3.49Å; E2334-K2353 IonicContact OE1-NZ 3.44Å; E2334-K2353 PolarHBondContact OE1-NZ 3.26Å; E2334-K2353 WeakPolarHBondContact OE2-CE 3.13Å; E2334-K2353 IonicContact OE2-NZ 2.64Å; E2334-K2353 PolarHBondContact OE2-NZ 2.98Å |
| 2354 | A | 80.9 | Confident | 67.2 | Low | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 121.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T2280 Y2327 Y2335 I2337 | T2280-A2354 WeakPolarHBondContact O-CA 3.47Å; Y2327-A2354 WeakPolarHBondContact OH-CB 3.36Å; Y2335-A2354 PolarHBondContact N-O 3.32Å; Y2335-A2354 PolarHBondContact O-N 3.26Å; I2337-A2354 HydrophobicContact CD1-CB 3.91Å |
| 2355 | I | 82.9 | Confident | 66.5 | Low | 72 Ų | 72 | 71.7 Ų | 71.7 | 37% | 0.369 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 109.2 | 178.7 | -57.4 | 177.1 | 0 | 0 | 0 | 109.8 | T2280 H2281 G2282 T2357 | T2280-I2355 PolarHBondContact O-N 2.8Å; H2281-I2355 CarbonylContact C-O 3.6Å; H2281-I2355 WeakPolarHBondContact CA-O 3.37Å; G2282-I2355 PolarHBondContact N-O 2.83Å; I2355-T2357 HydrophobicContact CG2-CG2 4.22Å |
| 2356 | V | 82.3 | Confident | 66.1 | Low | 3 Ų | 3 | 72 Ų | 72 | 2% | 0.018 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 129.8 | 178.7 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | G2282 V2284 Y2327 P2329 P2332 G2333 Y2335 | G2282-V2356 WeakPolarHBondContact O-CA 3.24Å; V2284-V2356 HydrophobicContact CG2-CG1 3.78Å; Y2327-V2356 HydrophobicContact CE2-CG2 4.4Å; P2329-V2356 HydrophobicContact CB-CG1 3.95Å; P2329-V2356 HydrophobicContact CB-CG2 4.18Å; P2329-V2356 HydrophobicContact CG-CB 4.36Å; P2329-V2356 HydrophobicContact CG-CG1 3.55Å; P2329-V2356 HydrophobicContact CG-CG2 3.86Å; P2332-V2356 WeakPolarHBondContact CA-O 3.19Å; G2333-V2356 PolarHBondContact N-O 2.93Å; G2333-V2356 PolarHBondContact O-N 3.26Å; Y2335-V2356 HydrophobicContact CD2-CB 3.83Å; Y2335-V2356 HydrophobicContact CD2-CG2 3.33Å; Y2335-V2356 HydrophobicContact CE2-CB 3.67Å; Y2335-V2356 HydrophobicContact CE2-CG1 4.27Å; Y2335-V2356 HydrophobicContact CE2-CG2 3.58Å; Y2335-V2356 HydrophobicContact CG-CG2 4.2Å |
| 2357 | T | 77.6 | Confident | 65.3 | Low | 74 Ų | 74 | 74.2 Ų | 74.2 | 45% | 0.454 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 155.8 | -174.2 | 61.4 | 0 | 0 | 0 | 0 | 112.7 | G2282 R2283 V2284 I2355 | G2282-T2357 PolarHBondContact O-N 2.81Å; G2282-T2357 PolarHBondContact O-OG1 2.83Å; R2283-T2357 VanDerWaalsContact CA-O 3.27Å; R2283-T2357 WeakPolarHBondContact CA-O 3.22Å; V2284-T2357 PolarHBondContact N-O 3.45Å; I2355-T2357 HydrophobicContact CG2-CG2 4.22Å |
| 2358 | G | 75.9 | Confident | 64.4 | Low | 41 Ų | 41 | 76.5 Ų | 76.5 | 42% | 0.423 | 44% | 0.438 | S | S | . | . | S | Bend | trans | 119.5 | 176.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P2332 | P2332-G2358 WeakPolarHBondContact CB-O 3.46Å; P2332-G2358 WeakPolarHBondContact CG-O 3.44Å |
| 2359 | D | 71.5 | Confident | 64.7 | Low | 149 Ų | 149 | 76.2 Ų | 76.2 | 80% | 0.797 | 44% | 0.44 | S | S | * | . | trans | -75.9 | 141.3 | 179.9 | -52.8 | -62.2 | 0 | 0 | 0 | 110.8 | V2284 | V2284-D2359 WeakPolarHBondContact CB-O 3.49Å; V2284-D2359 WeakPolarHBondContact CG1-O 3.17Å | ||
| 2360 | A | 60.8 | Low | 65.4 | Low | 59 Ų | 59 | 75.1 Ų | 75.1 | 49% | 0.488 | 43% | 0.425 | S | S | . | . | trans | -65.3 | 137 | 178 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 2361 | V | 63.1 | Low | 65.7 | Low | 79 Ų | 79 | 80.7 Ų | 80.7 | 48% | 0.479 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -87.6 | -21.9 | -173.5 | 168.3 | 0 | 0 | 0 | 0 | 112.6 | V2284 L2330 | V2284-V2361 HydrophobicContact CG1-CB 4.35Å; V2284-V2361 HydrophobicContact CG1-CG2 3.72Å; L2330-V2361 PolarHBondContact O-N 2.89Å |
| 2362 | H | 54 | Low | 66.1 | Low | 156 Ų | 156 | 79.7 Ų | 79.7 | 72% | 0.722 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -152.7 | 153.8 | 164.9 | -91.6 | -76.8 | 0 | 0 | 0 | 111.2 | T2364 | H2362-T2364 PolarHBondContact O-N 2.71Š|
| 2363 | E | 40.5 | Very low | 66 | Low | 193 Ų | 193 | 82.3 Ų | 82.3 | 90% | 0.902 | 46% | 0.46 | S | S | * | . | trans | -85 | 89.8 | -179.4 | -65.9 | -177.4 | 138.9 | 0 | 0 | 112.1 | ||||
| 2364 | T | 43.8 | Very low | 65.7 | Low | 83 Ų | 83 | 81.1 Ų | 81.1 | 51% | 0.509 | 46% | 0.458 | S | S | . | . | trans | -152.7 | 122.9 | 159.7 | -39.4 | 0 | 0 | 0 | 0 | 110.3 | H2362 | H2362-T2364 PolarHBondContact O-N 2.71Š| ||
| 2365 | I | 42.8 | Very low | 65 | Low | 158 Ų | 158 | 89.4 Ų | 89.4 | 81% | 0.81 | 50% | 0.496 | S | S | * | . | trans | -101.7 | 102 | 177.8 | -57.1 | 175.6 | 0 | 0 | 0 | 108.6 | ||||
| 2366 | T | 48.7 | Very low | 64.1 | Low | 77 Ų | 77 | 86.5 Ų | 86.5 | 47% | 0.472 | 48% | 0.482 | S | S | . | . | trans | -142.9 | 116.9 | 169.4 | 49.6 | 0 | 0 | 0 | 0 | 108.2 | D2368 | T2366-D2368 PolarHBondContact O-N 2.92Š| ||
| 2367 | T | 50.3 | Low | 62.5 | Low | 111 Ų | 111 | 89 Ų | 89 | 68% | 0.681 | 51% | 0.509 | S | S | * | . | trans | -72.5 | 111.1 | 173.7 | 44.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 2368 | D | 53.4 | Low | 60.8 | Low | 61 Ų | 61 | 88.1 Ų | 88.1 | 33% | 0.326 | 51% | 0.514 | S | S | . | . | trans | -142.2 | 100.2 | -161.3 | -167.4 | 12.9 | 0 | 0 | 0 | 111 | K2311 T2366 | K2311-D2368 HydrophobicContact CB-CB 4.07Å; K2311-D2368 WeakPolarHBondContact CD-OD2 3.14Å; K2311-D2368 WeakPolarHBondContact CE-OD2 3.46Å; K2311-D2368 HydrophobicContact CG-CB 4.19Å; K2311-D2368 WeakPolarHBondContact CG-OD2 3.11Å; K2311-D2368 IonicContact NZ-OD1 2.7Å; K2311-D2368 PolarHBondContact NZ-OD1 3.26Å; K2311-D2368 IonicContact NZ-OD2 3.05Å; K2311-D2368 PolarHBondContact NZ-OD2 2.85Å; T2366-D2368 PolarHBondContact O-N 2.92Å | ||
| 2369 | T | 66.9 | Low | 59 | Low | 77 Ų | 77 | 94.8 Ų | 94.8 | 47% | 0.472 | 53% | 0.526 | S | S | . | . | trans | -70.1 | 133 | -164.5 | -47.1 | 0 | 0 | 0 | 0 | 113.2 | T2305 D2307 | T2305-T2369 HydrophobicContact CG2-CG2 3.33Å; D2307-T2369 HydrophobicContact CB-CG2 4.13Å; D2307-T2369 WeakPolarHBondContact OD1-CA 3.47Å; D2307-T2369 WeakPolarHBondContact OD1-CB 3.25Å; D2307-T2369 PolarHBondContact OD1-OG1 2.96Å | ||
| 2370 | T | 75.8 | Confident | 57.1 | Low | 20 Ų | 20 | 95.7 Ų | 95.7 | 12% | 0.123 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 130.4 | -178.5 | -53.7 | 0 | 0 | 0 | 0 | 111.1 | T2305 V2306 V2312 L2314 | T2305-T2370 CarbonylContact C-O 3.5Å; T2305-T2370 VanDerWaalsContact CA-O 3.23Å; T2305-T2370 WeakPolarHBondContact CA-O 3.38Å; T2305-T2370 VanDerWaalsContact CG2-O 3.31Å; T2305-T2370 WeakPolarHBondContact CG2-O 3.49Å; V2306-T2370 PolarHBondContact N-O 2.91Å; V2306-T2370 PolarHBondContact O-N 2.99Å; V2312-T2370 HydrophobicContact CG2-CG2 4.19Å; V2312-T2370 PolarHBondContact N-OG1 2.88Å; V2312-T2370 VanDerWaalsContact O-CG2 3.25Å; V2312-T2370 WeakPolarHBondContact O-CG2 3.43Å; V2312-T2370 PolarHBondContact O-OG1 2.91Å; L2314-T2370 HydrophobicContact CB-CG2 3.63Å; L2314-T2370 HydrophobicContact CD2-CG2 4.49Å |
| 2371 | H | 79.1 | Confident | 55.6 | Low | 136 Ų | 136 | 99.9 Ų | 99.9 | 63% | 0.63 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 153.2 | -179.9 | 80.9 | -86.6 | 0 | 0 | 0 | 113.8 | V2304 T2305 | V2304-H2371 CarbonylContact O-C 3.56Å; V2304-H2371 WeakPolarHBondContact O-CA 3.33Å; T2305-H2371 HydrophobicContact CG2-CB 4.19Å |
| 2372 | V | 79.2 | Confident | 53.9 | Low | 33 Ų | 33 | 103.7 Ų | 103.7 | 20% | 0.2 | 57% | 0.565 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -143.8 | 139.5 | 171.3 | 165 | 0 | 0 | 0 | 0 | 108.9 | S2303 V2304 L2314 C2316 F2325 V2374 | S2303-V2372 WeakPolarHBondContact CA-O 3.06Å; V2304-V2372 PolarHBondContact N-O 3.42Å; V2304-V2372 PolarHBondContact O-N 2.83Å; L2314-V2372 HydrophobicContact CB-CG2 4.2Å; L2314-V2372 HydrophobicContact CD2-CB 3.86Å; L2314-V2372 HydrophobicContact CD2-CG2 3.73Å; L2314-V2372 HydrophobicContact CG-CB 4.29Å; L2314-V2372 HydrophobicContact CG-CG2 3.78Å; C2316-V2372 HydrophobicContact CB-CG1 4.24Å; F2325-V2372 HydrophobicContact CE1-CG1 4.12Å; V2372-V2374 HydrophobicContact CG1-CG2 3.83Å |
| 2373 | V | 76.9 | Confident | 52.6 | Low | 88 Ų | 88 | 99.7 Ų | 99.7 | 53% | 0.533 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.1 | 139.4 | 173.3 | -173 | 0 | 0 | 0 | 0 | 109.8 | A2301 L2302 | A2301-V2373 HydrophobicContact CB-CG1 4.27Å; L2302-V2373 CarbonylContact O-C 3.4Å; L2302-V2373 WeakPolarHBondContact O-CA 3.35Å |
| 2374 | V | 72.8 | Confident | 52.2 | Low | 33 Ų | 33 | 95.8 Ų | 95.8 | 20% | 0.2 | 56% | 0.557 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -139.3 | 131.6 | -175.9 | -165.1 | 0 | 0 | 0 | 0 | 110.6 | L2302 C2316 Y2323 F2325 V2372 | L2302-V2374 PolarHBondContact N-O 2.75Å; L2302-V2374 PolarHBondContact O-N 2.88Å; C2316-V2374 HydrophobicContact CB-CG2 4.29Å; Y2323-V2374 HydrophobicContact CD1-CG1 3.89Å; Y2323-V2374 HydrophobicContact CE1-CG1 3.52Å; F2325-V2374 HydrophobicContact CZ-CG2 4.41Å; V2372-V2374 HydrophobicContact CG1-CG2 3.83Å |
| 2375 | E | 66.9 | Low | 51.3 | Low | 175 Ų | 175 | 100.5 Ų | 100.5 | 82% | 0.818 | 57% | 0.573 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.2 | 140 | 172.1 | -65.8 | -170.7 | 153.7 | 0 | 0 | 111.5 | Y2323 | Y2323-E2375 PolarHBondContact OH-O 3.02Å; Y2323-E2375 VanDerWaalsContact OH-O 3.13Å |
| 2376 | T | 64.2 | Low | 50.6 | Low | 10 Ų | 10 | 97.6 Ų | 97.6 | 6% | 0.061 | 57% | 0.566 | C | S | . | * | trans | -106.2 | 135.5 | -178.5 | 64.1 | 0 | 0 | 0 | 0 | 112.6 | T2294 G2298 S2299 G2300 L2302 Y2323 Y2341 | T2294-T2376 HydrophobicContact CG2-CG2 4.39Å; G2298-T2376 PolarHBondContact O-OG1 2.84Å; S2299-T2376 VanDerWaalsContact CA-O 3.23Å; S2299-T2376 WeakPolarHBondContact CA-O 3.36Å; S2299-T2376 WeakPolarHBondContact CB-O 3.19Å; G2300-T2376 PolarHBondContact N-OG1 3.05Å; G2300-T2376 WeakPolarHBondContact O-CB 3.18Å; G2300-T2376 WeakPolarHBondContact O-CG2 3.01Å; G2300-T2376 PolarHBondContact O-N 2.89Å; G2300-T2376 PolarHBondContact O-OG1 3.12Å; L2302-T2376 HydrophobicContact CB-CG2 3.96Å; Y2323-T2376 HydrophobicContact CD2-CG2 4.23Å; Y2323-T2376 HydrophobicContact CE2-CG2 3.5Å; Y2323-T2376 VanDerWaalsContact CE2-CG2 3.5Å; Y2323-T2376 WeakPolarHBondContact OH-CA 3.42Å; Y2341-T2376 HydrophobicContact CE2-CG2 4.01Å; Y2341-T2376 WeakPolarHBondContact CE2-OG1 3.32Å | ||
| 2377 | G | 47.5 | Very low | 49.6 | Very low | 57 Ų | 57 | 101.5 Ų | 101.5 | 59% | 0.588 | 58% | 0.584 | S | S | * | * | trans | -109 | 107.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2378 | G | 42.3 | Very low | 48.6 | Very low | 54 Ų | 54 | 105 Ų | 105 | 56% | 0.557 | 59% | 0.591 | S | S | * | * | trans | -64.5 | 132.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 2379 | R | 37.9 | Very low | 47.9 | Very low | 182 Ų | 182 | 104.3 Ų | 104.3 | 69% | 0.687 | 60% | 0.598 | S | S | * | * | trans | -129.5 | 100.9 | 177.1 | -64 | -173.4 | -171.1 | 178.1 | 9.9 | 111.6 | E2318 | E2318-R2379 IonicContact OE1-NH2 2.82Å; E2318-R2379 PolarHBondContact OE1-NH2 3.33Å | ||
| 2380 | M | 31.8 | Very low | 47 | Very low | 168 Ų | 168 | 106.2 Ų | 106.2 | 83% | 0.828 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 140.8 | 174.1 | -59.5 | -173.8 | 83.8 | 0 | 0 | 112.1 | ||
| 2381 | V | 29.7 | Very low | 46.2 | Very low | 146 Ų | 146 | 107.1 Ų | 107.1 | 89% | 0.885 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 118.1 | 176.2 | -179.6 | 0 | 0 | 0 | 0 | 110.4 | ||
| 2382 | N | 27.1 | Very low | 46.3 | Very low | 160 Ų | 160 | 106.4 Ų | 106.4 | 86% | 0.856 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 143.6 | 176.1 | -80.9 | -47.9 | 0 | 0 | 0 | 112.4 | ||
| 2383 | G | 27.5 | Very low | 46.3 | Very low | 71 Ų | 71 | 105.4 Ų | 105.4 | 73% | 0.732 | 60% | 0.604 | S | S | * | * | trans | -152.6 | 143.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2384 | P | 30.9 | Very low | 46.7 | Very low | 112 Ų | 112 | 105.3 Ų | 105.3 | 73% | 0.727 | 60% | 0.601 | S | S | * | * | trans | -126.1 | 179.7 | -157.7 | 27.9 | -4.7 | 0 | 0 | 0 | 116.4 | ||||
| 2385 | H | 25.3 | Very low | 47.3 | Very low | 182 Ų | 182 | 109.6 Ų | 109.6 | 84% | 0.843 | 61% | 0.613 | S | S | * | * | trans | 98.3 | 158.7 | 160.7 | -61.3 | -64.1 | 0 | 0 | 0 | 119.8 | ||||
| 2386 | S | 28.8 | Very low | 48.1 | Very low | 97 Ų | 97 | 101.3 Ų | 101.3 | 68% | 0.678 | 58% | 0.575 | S | S | * | * | trans | -123 | 156.1 | -155.5 | 54.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2387 | N | 27.5 | Very low | 49.3 | Very low | 159 Ų | 159 | 104.7 Ų | 104.7 | 85% | 0.85 | 60% | 0.595 | S | S | * | * | trans | -167 | 147.5 | 135.3 | -98.9 | -26.4 | 0 | 0 | 0 | 111.6 | G2389 | N2387-G2389 PolarHBondContact O-N 3.02Š| ||
| 2388 | F | 29.1 | Very low | 51.3 | Low | 185 Ų | 185 | 103.2 Ų | 103.2 | 81% | 0.811 | 58% | 0.576 | S | S | * | * | trans | -73.8 | 118.7 | 172.2 | -81 | -106.7 | 0 | 0 | 0 | 109.7 | H2423 | F2388-H2423 AromaticContact CE1-CD2 3.78Å; F2388-H2423 AromaticContact CE1-NE2 3.68Å | ||
| 2389 | G | 39 | Very low | 53.2 | Low | 46 Ų | 46 | 103.6 Ų | 103.6 | 47% | 0.474 | 57% | 0.57 | S | S | . | * | trans | -107.9 | 172.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N2387 | N2387-G2389 PolarHBondContact O-N 3.02Š| ||
| 2390 | P | 47.9 | Very low | 55.2 | Low | 116 Ų | 116 | 96.2 Ų | 96.2 | 75% | 0.753 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -62.4 | 161.2 | 170.8 | 29.4 | -35.9 | 0 | 0 | 0 | 111.5 | R2392 | P2390-R2392 PolarHBondContact O-N 2.82Š|
| 2391 | S | 59.8 | Low | 57.2 | Low | 40 Ų | 40 | 92.5 Ų | 92.5 | 28% | 0.28 | 54% | 0.539 | S | S | . | . | trans | -51.9 | 131.2 | 178.5 | -179 | 0 | 0 | 0 | 0 | 112 | A2421 D2424 | S2391-A2421 CarbonylContact C-O 3.58Å; S2391-A2421 WeakPolarHBondContact CA-O 3.07Å; S2391-D2424 WeakPolarHBondContact CB-OD2 3.5Å; S2391-D2424 WeakPolarHBondContact OG-CB 3.04Å; S2391-D2424 PolarHBondContact OG-OD2 3.17Å | ||
| 2392 | R | 79.6 | Confident | 59.7 | Low | 121 Ų | 121 | 85.7 Ų | 85.7 | 46% | 0.457 | 50% | 0.498 | S | S | . | . | trans | -132.1 | 83.9 | -178.6 | -77 | -155.9 | 75.8 | 135.4 | 0.4 | 110.8 | P2390 D2394 R2395 A2421 | P2390-R2392 PolarHBondContact O-N 2.82Å; R2392-D2394 VanDerWaalsContact CB-OD1 3.28Å; R2392-D2394 WeakPolarHBondContact CB-OD1 3.09Å; R2392-D2394 IonicContact CZ-OD1 2.64Å; R2392-D2394 IonicContact CZ-OD2 3.36Å; R2392-D2394 VanDerWaalsContact CZ-OD2 3.31Å; R2392-D2394 IonicContact NE-OD1 3.56Å; R2392-D2394 PolarHBondContact NE-OD1 3.19Å; R2392-D2394 IonicContact NE-OD2 2.75Å; R2392-D2394 PolarHBondContact NE-OD2 2.95Å; R2392-D2394 IonicContact NH2-OD1 2.79Å; R2392-D2394 IonicContact NH2-OD2 3.79Å; R2392-D2394 PolarHBondContact NH2-OD2 2.94Å; R2392-D2394 PolarHBondContact O-N 3.08Å; R2392-D2394 VanDerWaalsContact O-N 3.12Å; R2392-R2395 HydrophobicContact CB-CB 4.32Å; R2392-R2395 HydrophobicContact CB-CG 4.3Å; R2392-R2395 PolarHBondContact O-N 2.91Å; R2392-A2421 PolarHBondContact N-O 2.94Å; R2392-A2421 VanDerWaalsContact O-CB 3.25Å; R2392-A2421 WeakPolarHBondContact O-CB 3.29Å | ||
| 2393 | P | 80.5 | Confident | 62.4 | Low | 11 Ų | 11 | 78.8 Ų | 78.8 | 7% | 0.071 | 46% | 0.461 | C | S | . | . | G | 310 helix | trans | -53.4 | -31.6 | 176 | -25.4 | 34.6 | 0 | 0 | 0 | 112.7 | R2395 V2396 W2468 Q2471 P2474 | P2393-R2395 PolarHBondContact O-N 2.62Å; P2393-R2395 VanDerWaalsContact O-N 3.1Å; P2393-V2396 PolarHBondContact O-N 2.9Å; P2393-V2396 VanDerWaalsContact O-N 3.13Å; P2393-W2468 HydrophobicContact CB-CB 4.21Å; P2393-W2468 HydrophobicContact CG-CB 4.41Å; P2393-W2468 WeakPolarHBondContact CG-O 3.32Å; P2393-Q2471 HydrophobicContact CB-CB 4.13Å; P2393-Q2471 HydrophobicContact CG-CB 3.83Å; P2393-Q2471 HydrophobicContact CG-CG 4.49Å; P2393-P2474 WeakPolarHBondContact O-CD 3.49Å |
| 2394 | D | 84 | Confident | 64.9 | Low | 86 Ų | 86 | 83.6 Ų | 83.6 | 46% | 0.46 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -63.7 | -8.8 | 175.3 | 69.1 | -64.2 | 0 | 0 | 0 | 114.9 | R2392 | R2392-D2394 VanDerWaalsContact CB-OD1 3.28Å; R2392-D2394 WeakPolarHBondContact CB-OD1 3.09Å; R2392-D2394 IonicContact CZ-OD1 2.64Å; R2392-D2394 IonicContact CZ-OD2 3.36Å; R2392-D2394 VanDerWaalsContact CZ-OD2 3.31Å; R2392-D2394 IonicContact NE-OD1 3.56Å; R2392-D2394 PolarHBondContact NE-OD1 3.19Å; R2392-D2394 IonicContact NE-OD2 2.75Å; R2392-D2394 PolarHBondContact NE-OD2 2.95Å; R2392-D2394 IonicContact NH2-OD1 2.79Å; R2392-D2394 IonicContact NH2-OD2 3.79Å; R2392-D2394 PolarHBondContact NH2-OD2 2.94Å; R2392-D2394 PolarHBondContact O-N 3.08Å; R2392-D2394 VanDerWaalsContact O-N 3.12Å |
| 2395 | R | 85.4 | Confident | 67.2 | Low | 123 Ų | 123 | 82.8 Ų | 82.8 | 46% | 0.464 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -112.9 | 7 | 176.1 | -66.8 | -164.1 | 169.8 | -130.9 | -2.1 | 114.5 | R2392 P2393 Q2420 A2421 | R2392-R2395 HydrophobicContact CB-CB 4.32Å; R2392-R2395 HydrophobicContact CB-CG 4.3Å; R2392-R2395 PolarHBondContact O-N 2.91Å; P2393-R2395 PolarHBondContact O-N 2.62Å; P2393-R2395 VanDerWaalsContact O-N 3.1Å; R2395-Q2420 HydrophobicContact CB-CB 4.32Å; R2395-Q2420 WeakPolarHBondContact CB-O 3Å; R2395-Q2420 WeakPolarHBondContact CD-O 3.3Å; R2395-A2421 HydrophobicContact CB-CB 4.3Å |
| 2396 | V | 85.2 | Confident | 69.8 | Low | 1 Ų | 1 | 74.1 Ų | 74.1 | 1% | 0.006 | 41% | 0.408 | C | S | . | . | trans | -83.9 | 122 | 169.1 | -176.9 | 0 | 0 | 0 | 0 | 109 | P2393 V2416 N2417 A2418 A2421 W2468 V2473 | P2393-V2396 PolarHBondContact O-N 2.9Å; P2393-V2396 VanDerWaalsContact O-N 3.13Å; V2396-V2416 HydrophobicContact CG1-CG1 3.37Å; V2396-N2417 WeakPolarHBondContact CA-O 3.45Å; V2396-A2418 HydrophobicContact CG1-CB 4.29Å; V2396-A2418 HydrophobicContact CG2-CB 3.92Å; V2396-A2421 HydrophobicContact CB-CB 4.47Å; V2396-A2421 HydrophobicContact CG2-CB 3.33Å; V2396-W2468 HydrophobicContact CG2-CB 3.8Å; V2396-W2468 HydrophobicContact CG2-CD2 3.83Å; V2396-W2468 HydrophobicContact CG2-CE3 4.36Å; V2396-W2468 HydrophobicContact CG2-CG 3.56Å; V2396-V2473 HydrophobicContact CB-CB 4.1Å; V2396-V2473 HydrophobicContact CB-CG1 3.69Å; V2396-V2473 HydrophobicContact CG1-CB 4.3Å; V2396-V2473 HydrophobicContact CG1-CG1 3.79Å; V2396-V2473 HydrophobicContact CG2-CG1 4.15Å | ||
| 2397 | T | 88.2 | Confident | 72.2 | Confident | 81 Ų | 81 | 71.3 Ų | 71.3 | 50% | 0.497 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 140.7 | 175.5 | 56.1 | 0 | 0 | 0 | 0 | 111.1 | V2416 N2417 | T2397-V2416 CarbonylContact O-C 3.06Å; T2397-V2416 WeakPolarHBondContact O-CA 3.15Å; T2397-N2417 PolarHBondContact N-O 3.42Å; T2397-N2417 PolarHBondContact O-N 2.88Å |
| 2398 | C | 89 | Confident | 74.9 | Confident | 26 Ų | 26 | 66.2 Ų | 66.2 | 18% | 0.176 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 128.4 | -178.9 | -55 | 0 | 0 | 0 | 0 | 109.4 | L2403 T2415 V2416 I2466 V2473 F2478 | C2398-L2403 HydrophobicContact CB-CD1 3.63Å; C2398-T2415 WeakPolarHBondContact CA-O 3.35Å; C2398-V2416 HydrophobicContact CB-CG2 4.38Å; C2398-I2466 HydrophobicContact CB-CD1 4.31Å; C2398-V2473 VanDerWaalsContact SG-CG2 3.53Å; C2398-F2478 HydrophobicContact CB-CE1 4.5Å; C2398-F2478 HydrophobicContact CB-CE2 4.16Å; C2398-F2478 HydrophobicContact CB-CZ 3.72Å |
| 2399 | S | 82.4 | Confident | 77.4 | Confident | 62 Ų | 62 | 62.4 Ų | 62.4 | 43% | 0.434 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 127.4 | -171.9 | 46.2 | 0 | 0 | 0 | 0 | 112.9 | T2415 | S2399-T2415 PolarHBondContact N-O 2.88Å; S2399-T2415 PolarHBondContact O-N 2.79Å; S2399-T2415 PolarHBondContact O-OG1 2.86Å; S2399-T2415 PolarHBondContact OG-OG1 3.01Å |
| 2400 | G | 80 | Confident | 79.4 | Confident | 28 Ų | 28 | 64.2 Ų | 64.2 | 29% | 0.289 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 163.5 | 169.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G2402 L2403 | G2400-G2402 PolarHBondContact O-N 2.92Å; G2400-L2403 PolarHBondContact O-N 3.33Å |
| 2401 | P | 74.6 | Confident | 81 | Confident | 90 Ų | 90 | 61.9 Ų | 61.9 | 58% | 0.584 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -61.2 | -43 | -179.6 | 23.6 | -32.4 | 0 | 0 | 0 | 112.1 | L2403 K2404 Q2405 T2413 | P2401-L2403 PolarHBondContact O-N 3.42Å; P2401-K2404 PolarHBondContact O-N 3.05Å; P2401-Q2405 PolarHBondContact O-N 3.39Å; P2401-Q2405 VanDerWaalsContact O-N 3.16Å; P2401-Q2405 VanDerWaalsContact O-O 3.11Å; P2401-T2413 WeakPolarHBondContact CD-O 3.4Å |
| 2402 | G | 81.2 | Confident | 82.5 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -67 | 6.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116 | G2400 T2413 Y2454 I2464 | G2400-G2402 PolarHBondContact O-N 2.92Å; G2402-T2413 WeakPolarHBondContact CA-O 3.39Å; G2402-T2413 PolarHBondContact N-O 3.15Å; G2402-Y2454 WeakPolarHBondContact O-CE1 3.37Å; G2402-Y2454 PolarHBondContact O-OH 2.88Å; G2402-I2464 VanDerWaalsContact O-CD1 3.31Å; G2402-I2464 WeakPolarHBondContact O-CD1 3.42Å |
| 2403 | L | 84.6 | Confident | 83 | Confident | 16 Ų | 16 | 57.6 Ų | 57.6 | 8% | 0.084 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -105.5 | 2.9 | 167.7 | -66.8 | 171.7 | 0 | 0 | 0 | 113.1 | C2398 G2400 P2401 F2414 I2464 I2466 F2478 | C2398-L2403 HydrophobicContact CB-CD1 3.63Å; G2400-L2403 PolarHBondContact O-N 3.33Å; P2401-L2403 PolarHBondContact O-N 3.42Å; L2403-F2414 HydrophobicContact CD1-CB 3.83Å; L2403-F2414 HydrophobicContact CD1-CD2 3.74Å; L2403-F2414 HydrophobicContact CD1-CE2 4.44Å; L2403-F2414 HydrophobicContact CD1-CG 3.84Å; L2403-F2414 HydrophobicContact CD2-CD1 3.87Å; L2403-F2414 HydrophobicContact CD2-CD2 3.98Å; L2403-F2414 HydrophobicContact CD2-CE1 3.95Å; L2403-F2414 HydrophobicContact CD2-CE2 4.06Å; L2403-F2414 HydrophobicContact CD2-CG 3.88Å; L2403-F2414 HydrophobicContact CD2-CZ 4.04Å; L2403-F2414 HydrophobicContact CG-CB 3.68Å; L2403-F2414 HydrophobicContact CG-CD1 3.91Å; L2403-F2414 HydrophobicContact CG-CD2 3.9Å; L2403-F2414 HydrophobicContact CG-CE1 4.49Å; L2403-F2414 HydrophobicContact CG-CE2 4.48Å; L2403-F2414 HydrophobicContact CG-CG 3.57Å; L2403-I2464 HydrophobicContact CD2-CD1 4.25Å; L2403-I2464 HydrophobicContact CD2-CG2 4.38Å; L2403-I2466 HydrophobicContact CD2-CD1 4.11Å; L2403-F2478 HydrophobicContact CD2-CB 4.25Å; L2403-F2478 HydrophobicContact CD2-CD1 4.36Å; L2403-F2478 HydrophobicContact CD2-CD2 4.06Å; L2403-F2478 HydrophobicContact CD2-CG 3.97Å |
| 2404 | K | 80.7 | Confident | 83.6 | Confident | 172 Ų | 172 | 57.3 Ų | 57.3 | 75% | 0.748 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.5 | -42 | 179.4 | -64.5 | -177.1 | 179.2 | 179.8 | 0 | 112.5 | P2401 | P2401-K2404 PolarHBondContact O-N 3.05Š|
| 2405 | Q | 77.6 | Confident | 83.9 | Confident | 94 Ų | 94 | 56.2 Ų | 56.2 | 44% | 0.439 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 141.8 | -173 | -160.9 | 168 | 12.8 | 0 | 0 | 107.9 | P2401 Y2407 I2483 | P2401-Q2405 PolarHBondContact O-N 3.39Å; P2401-Q2405 VanDerWaalsContact O-N 3.16Å; P2401-Q2405 VanDerWaalsContact O-O 3.11Å; Q2405-Y2407 VanDerWaalsContact CD-OH 3.28Å; Q2405-I2483 HydrophobicContact CG-CD1 3.78Å |
| 2406 | A | 80 | Confident | 84.2 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 155.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | N2412 Y2454 V2480 D2481 V2482 I2483 | A2406-N2412 WeakPolarHBondContact CA-OD1 3.48Å; A2406-N2412 HydrophobicContact CB-CB 4.3Å; A2406-N2412 WeakPolarHBondContact CB-OD1 3.47Å; A2406-Y2454 HydrophobicContact CB-CE2 4.32Å; A2406-Y2454 WeakPolarHBondContact CB-OH 3.36Å; A2406-V2480 HydrophobicContact CB-CG1 3.65Å; A2406-D2481 PolarHBondContact N-O 3.33Å; A2406-V2482 HydrophobicContact CB-CG2 4.02Å; A2406-V2482 CarbonylContact O-C 3.48Å; A2406-V2482 WeakPolarHBondContact O-CA 3.31Å; A2406-I2483 PolarHBondContact O-N 2.88Å |
| 2407 | Y | 80.7 | Confident | 84.4 | Confident | 38 Ų | 38 | 52.1 Ų | 52.1 | 15% | 0.149 | 30% | 0.298 | C | S | . | . | trans | -122.8 | 138.2 | -174.2 | -58.7 | -71.9 | 0 | 0 | 0 | 111.5 | R2010 Q2405 E2410 N2412 I2483 | R2010-Y2407 VanDerWaalsContact CZ-CD2 3.41Å; R2010-Y2407 VanDerWaalsContact NH1-CD2 3.3Å; Q2405-Y2407 VanDerWaalsContact CD-OH 3.28Å; Y2407-E2410 VanDerWaalsContact CB-CD 3.44Å; Y2407-E2410 WeakPolarHBondContact CB-OE2 3.26Å; Y2407-E2410 PolarHBondContact O-N 2.92Å; Y2407-N2412 PolarHBondContact N-OD1 3.33Å; Y2407-N2412 PolarHBondContact O-ND2 2.68Å; Y2407-I2483 VanDerWaalsContact CA-O 3.31Å; Y2407-I2483 WeakPolarHBondContact CA-O 3.39Å; Y2407-I2483 HydrophobicContact CD1-CB 4.15Å; Y2407-I2483 HydrophobicContact CE1-CB 4.2Å; Y2407-I2483 HydrophobicContact CE1-CD1 4.48Å | ||
| 2408 | L | 83.4 | Confident | 84.3 | Confident | 52 Ų | 52 | 48.4 Ų | 48.4 | 27% | 0.272 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | 131 | -172.2 | -161.2 | 151.6 | 0 | 0 | 0 | 110.8 | E2410 R2457 R2459 V2482 I2483 | L2408-E2410 PolarHBondContact O-N 2.78Å; L2408-R2457 WeakPolarHBondContact CD1-O 3.39Å; L2408-R2459 HydrophobicContact CD1-CB 4.27Å; L2408-R2459 HydrophobicContact CD1-CG 3.79Å; L2408-V2482 HydrophobicContact CB-CG1 4.2Å; L2408-I2483 PolarHBondContact N-O 3.29Å |
| 2409 | N | 80.7 | Confident | 83.9 | Confident | 106 Ų | 106 | 50.5 Ų | 50.5 | 57% | 0.567 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 3.8 | -169.5 | -54 | -35.4 | 0 | 0 | 0 | 116.3 | V2456 | N2409-V2456 PolarHBondContact N-O 3.11Š|
| 2410 | E | 81 | Confident | 83.7 | Confident | 83 Ų | 83 | 53.8 Ų | 53.8 | 39% | 0.388 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -88.5 | 162.7 | 173 | -69.4 | -175.3 | -159.7 | 0 | 0 | 112.2 | R2010 Y2407 L2408 N2412 T2455 | R2010-E2410 IonicContact CZ-OE1 2.85Å; R2010-E2410 IonicContact CZ-OE2 2.74Å; R2010-E2410 IonicContact NH1-OE1 2.66Å; R2010-E2410 PolarHBondContact NH1-OE1 2.64Å; R2010-E2410 IonicContact NH1-OE2 3.83Å; R2010-E2410 PolarHBondContact NH1-OE2 2.93Å; R2010-E2410 IonicContact NH2-OE1 2.72Å; R2010-E2410 PolarHBondContact NH2-OE1 3.33Å; R2010-E2410 IonicContact NH2-OE2 3.78Å; Y2407-E2410 VanDerWaalsContact CB-CD 3.44Å; Y2407-E2410 WeakPolarHBondContact CB-OE2 3.26Å; Y2407-E2410 PolarHBondContact O-N 2.92Å; L2408-E2410 PolarHBondContact O-N 2.78Å; E2410-N2412 PolarHBondContact O-N 2.55Å; E2410-N2412 PolarHBondContact O-ND2 3.17Å; E2410-N2412 VanDerWaalsContact O-ND2 3.08Å; E2410-T2455 PolarHBondContact O-OG1 3.21Å |
| 2411 | A | 82.4 | Confident | 83.3 | Confident | 68 Ų | 68 | 52.4 Ų | 52.4 | 56% | 0.562 | 29% | 0.285 | S | S | * | . | trans | -89.7 | 88.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | T2413 | A2411-T2413 PolarHBondContact O-N 2.86Š| ||
| 2412 | N | 90.7 | Very high | 83 | Confident | 8 Ų | 8 | 49.3 Ų | 49.3 | 4% | 0.043 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 117.5 | -172.5 | -62.6 | -78.4 | 0 | 0 | 0 | 111.2 | A2406 Y2407 E2410 S2453 Y2454 | A2406-N2412 WeakPolarHBondContact CA-OD1 3.48Å; A2406-N2412 HydrophobicContact CB-CB 4.3Å; A2406-N2412 WeakPolarHBondContact CB-OD1 3.47Å; Y2407-N2412 PolarHBondContact N-OD1 3.33Å; Y2407-N2412 PolarHBondContact O-ND2 2.68Å; E2410-N2412 PolarHBondContact O-N 2.55Å; E2410-N2412 PolarHBondContact O-ND2 3.17Å; E2410-N2412 VanDerWaalsContact O-ND2 3.08Å; N2412-S2453 CarbonylContact O-C 3.44Å; N2412-S2453 VanDerWaalsContact O-CA 3.31Å; N2412-S2453 WeakPolarHBondContact O-CA 3.24Å; N2412-Y2454 HydrophobicContact CB-CD1 4.11Å; N2412-Y2454 HydrophobicContact CB-CD2 4.16Å; N2412-Y2454 HydrophobicContact CB-CE1 3.73Å; N2412-Y2454 HydrophobicContact CB-CE2 3.77Å; N2412-Y2454 HydrophobicContact CB-CG 4.31Å; N2412-Y2454 WeakPolarHBondContact CB-O 3.1Å; N2412-Y2454 PolarHBondContact N-O 3Å; N2412-Y2454 PolarHBondContact ND2-O 3.3Å; N2412-Y2454 VanDerWaalsContact O-CD1 3.23Å; N2412-Y2454 WeakPolarHBondContact O-CD1 3.24Å; N2412-Y2454 PolarHBondContact O-N 3.04Å |
| 2413 | T | 90.9 | Very high | 82.7 | Confident | 63 Ų | 63 | 56.7 Ų | 56.7 | 39% | 0.387 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 145.6 | -168.4 | 43.2 | 0 | 0 | 0 | 0 | 114.9 | P2401 G2402 A2411 I2452 | P2401-T2413 WeakPolarHBondContact CD-O 3.4Å; G2402-T2413 WeakPolarHBondContact CA-O 3.39Å; G2402-T2413 PolarHBondContact N-O 3.15Å; A2411-T2413 PolarHBondContact O-N 2.86Å; T2413-I2452 CarbonylContact C-O 3.35Å; T2413-I2452 VanDerWaalsContact CA-O 3.29Å; T2413-I2452 WeakPolarHBondContact CA-O 3.22Å |
| 2414 | F | 93.2 | Very high | 82.4 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 174.4 | 166 | 64.6 | -92 | 0 | 0 | 0 | 112.4 | L2403 V2416 V2428 I2452 Y2454 I2464 I2466 | L2403-F2414 HydrophobicContact CD1-CB 3.83Å; L2403-F2414 HydrophobicContact CD1-CD2 3.74Å; L2403-F2414 HydrophobicContact CD1-CE2 4.44Å; L2403-F2414 HydrophobicContact CD1-CG 3.84Å; L2403-F2414 HydrophobicContact CD2-CD1 3.87Å; L2403-F2414 HydrophobicContact CD2-CD2 3.98Å; L2403-F2414 HydrophobicContact CD2-CE1 3.95Å; L2403-F2414 HydrophobicContact CD2-CE2 4.06Å; L2403-F2414 HydrophobicContact CD2-CG 3.88Å; L2403-F2414 HydrophobicContact CD2-CZ 4.04Å; L2403-F2414 HydrophobicContact CG-CB 3.68Å; L2403-F2414 HydrophobicContact CG-CD1 3.91Å; L2403-F2414 HydrophobicContact CG-CD2 3.9Å; L2403-F2414 HydrophobicContact CG-CE1 4.49Å; L2403-F2414 HydrophobicContact CG-CE2 4.48Å; L2403-F2414 HydrophobicContact CG-CG 3.57Å; F2414-V2416 HydrophobicContact CD2-CG2 4.03Å; F2414-V2416 HydrophobicContact CE2-CG2 3.73Å; F2414-V2428 HydrophobicContact CZ-CG1 4.25Å; F2414-I2452 HydrophobicContact CD1-CB 4.45Å; F2414-I2452 HydrophobicContact CD1-CG2 4.49Å; F2414-I2452 HydrophobicContact CD2-CB 4.28Å; F2414-I2452 HydrophobicContact CD2-CD1 4.21Å; F2414-I2452 HydrophobicContact CE1-CB 4.09Å; F2414-I2452 HydrophobicContact CE1-CG2 3.77Å; F2414-I2452 HydrophobicContact CE2-CB 3.89Å; F2414-I2452 HydrophobicContact CE2-CD1 3.75Å; F2414-I2452 HydrophobicContact CE2-CG1 4.21Å; F2414-I2452 HydrophobicContact CE2-CG2 4.27Å; F2414-I2452 HydrophobicContact CZ-CB 3.8Å; F2414-I2452 HydrophobicContact CZ-CD1 4.38Å; F2414-I2452 HydrophobicContact CZ-CG1 4.36Å; F2414-I2452 HydrophobicContact CZ-CG2 3.65Å; F2414-I2452 PolarHBondContact N-O 2.92Å; F2414-I2452 PolarHBondContact O-N 2.91Å; F2414-Y2454 HydrophobicContact CD1-CD1 4.27Å; F2414-Y2454 AromaticContact CD1-CE1 4Å; F2414-Y2454 HydrophobicContact CD1-CE1 4Å; F2414-Y2454 AromaticContact CE1-CD1 3.89Å; F2414-Y2454 HydrophobicContact CE1-CD1 3.89Å; F2414-Y2454 AromaticContact CE1-CE1 3.86Å; F2414-Y2454 HydrophobicContact CE1-CE1 3.86Å; F2414-I2464 HydrophobicContact CE1-CG2 4.22Å; F2414-I2464 HydrophobicContact CZ-CG2 4.1Å; F2414-I2466 HydrophobicContact CD2-CD1 4.37Å; F2414-I2466 HydrophobicContact CE2-CD1 3.42Å; F2414-I2466 VanDerWaalsContact CE2-CD1 3.42Å; F2414-I2466 HydrophobicContact CE2-CG1 4.41Å; F2414-I2466 HydrophobicContact CZ-CD1 3.75Å; F2414-I2466 HydrophobicContact CZ-CG1 4.39Å |
| 2415 | T | 90 | Very high | 82.3 | Confident | 63 Ų | 63 | 54.4 Ų | 54.4 | 39% | 0.387 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 151.1 | 177.1 | 58.8 | 0 | 0 | 0 | 0 | 111.5 | C2398 S2399 Y2450 | C2398-T2415 WeakPolarHBondContact CA-O 3.35Å; S2399-T2415 PolarHBondContact N-O 2.88Å; S2399-T2415 PolarHBondContact O-N 2.79Å; S2399-T2415 PolarHBondContact O-OG1 2.86Å; S2399-T2415 PolarHBondContact OG-OG1 3.01Å; T2415-Y2450 CarbonylContact C-O 3.56Å; T2415-Y2450 VanDerWaalsContact CA-O 3.25Å; T2415-Y2450 WeakPolarHBondContact CA-O 3.41Å |
| 2416 | V | 91.6 | Very high | 82.8 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 120.6 | 176 | 173.5 | 0 | 0 | 0 | 0 | 108.1 | V2396 T2397 C2398 F2414 L2426 Q2449 Y2450 I2452 I2466 | V2396-V2416 HydrophobicContact CG1-CG1 3.37Å; T2397-V2416 CarbonylContact O-C 3.06Å; T2397-V2416 WeakPolarHBondContact O-CA 3.15Å; C2398-V2416 HydrophobicContact CB-CG2 4.38Å; F2414-V2416 HydrophobicContact CD2-CG2 4.03Å; F2414-V2416 HydrophobicContact CE2-CG2 3.73Å; V2416-L2426 HydrophobicContact CG1-CD1 4.06Å; V2416-Q2449 CarbonylContact O-C 3.58Å; V2416-Q2449 WeakPolarHBondContact O-CA 3.46Å; V2416-Y2450 PolarHBondContact N-O 3.43Å; V2416-Y2450 PolarHBondContact O-N 3.37Å; V2416-I2452 HydrophobicContact CB-CD1 4.02Å; V2416-I2452 HydrophobicContact CG2-CD1 3.58Å; V2416-I2466 HydrophobicContact CG2-CD1 4.21Å; V2416-I2466 HydrophobicContact CG2-CG2 4.33Å |
| 2417 | N | 89.3 | Confident | 83.1 | Confident | 38 Ų | 38 | 56.8 Ų | 56.8 | 20% | 0.203 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 105.4 | -178.6 | -177 | -2.4 | 0 | 0 | 0 | 110 | V2396 T2397 S2419 Q2449 | V2396-N2417 WeakPolarHBondContact CA-O 3.45Å; T2397-N2417 PolarHBondContact N-O 3.42Å; T2397-N2417 PolarHBondContact O-N 2.88Å; N2417-S2419 WeakPolarHBondContact OD1-CB 3.01Å; N2417-S2419 PolarHBondContact OD1-N 3.41Å; N2417-S2419 PolarHBondContact OD1-OG 2.93Å; N2417-Q2449 HydrophobicContact CB-CG 4.14Å; N2417-Q2449 PolarHBondContact ND2-NE2 2.95Å |
| 2418 | A | 85.9 | Confident | 83.5 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 2% | 0.017 | 31% | 0.31 | C | S | . | . | trans | -103.6 | 12.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | V2396 Q2420 A2421 G2448 W2468 | V2396-A2418 HydrophobicContact CG1-CB 4.29Å; V2396-A2418 HydrophobicContact CG2-CB 3.92Å; A2418-Q2420 PolarHBondContact O-N 2.95Å; A2418-A2421 HydrophobicContact CB-CB 4.09Å; A2418-A2421 WeakPolarHBondContact O-CB 3.39Å; A2418-A2421 PolarHBondContact O-N 3.49Å; A2418-G2448 WeakPolarHBondContact CA-O 3.33Å; A2418-G2448 WeakPolarHBondContact CB-O 3.41Å; A2418-G2448 PolarHBondContact N-O 2.9Å; A2418-W2468 HydrophobicContact CB-CD2 4.12Å; A2418-W2468 HydrophobicContact CB-CE3 3.93Å; A2418-W2468 HydrophobicContact CB-CH2 3.36Å; A2418-W2468 HydrophobicContact CB-CZ2 3.54Å; A2418-W2468 HydrophobicContact CB-CZ3 3.55Å | ||
| 2419 | S | 81.5 | Confident | 83.6 | Confident | 70 Ų | 70 | 55 Ų | 55 | 49% | 0.49 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -23.2 | -177.4 | 59.3 | 0 | 0 | 0 | 0 | 115 | N2417 Y2447 | N2417-S2419 WeakPolarHBondContact OD1-CB 3.01Å; N2417-S2419 PolarHBondContact OD1-N 3.41Å; N2417-S2419 PolarHBondContact OD1-OG 2.93Å; S2419-Y2447 VanDerWaalsContact CB-O 3.26Å; S2419-Y2447 WeakPolarHBondContact CB-O 3.28Å |
| 2420 | Q | 77.8 | Confident | 84 | Confident | 131 Ų | 131 | 51 Ų | 51 | 61% | 0.612 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | 7.9 | 175.5 | -59.4 | -165.1 | 21.3 | 0 | 0 | 114.2 | R2395 A2418 | R2395-Q2420 HydrophobicContact CB-CB 4.32Å; R2395-Q2420 WeakPolarHBondContact CB-O 3Å; R2395-Q2420 WeakPolarHBondContact CD-O 3.3Å; A2418-Q2420 PolarHBondContact O-N 2.95Å |
| 2421 | A | 71 | Confident | 84 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -104.1 | 6.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S2391 R2392 R2395 V2396 A2418 W2468 | S2391-A2421 CarbonylContact C-O 3.58Å; S2391-A2421 WeakPolarHBondContact CA-O 3.07Å; R2392-A2421 PolarHBondContact N-O 2.94Å; R2392-A2421 VanDerWaalsContact O-CB 3.25Å; R2392-A2421 WeakPolarHBondContact O-CB 3.29Å; R2395-A2421 HydrophobicContact CB-CB 4.3Å; V2396-A2421 HydrophobicContact CB-CB 4.47Å; V2396-A2421 HydrophobicContact CG2-CB 3.33Å; A2418-A2421 HydrophobicContact CB-CB 4.09Å; A2418-A2421 WeakPolarHBondContact O-CB 3.39Å; A2418-A2421 PolarHBondContact O-N 3.49Å; A2421-W2468 PolarHBondContact O-NE1 3.44Å |
| 2422 | G | 68.8 | Low | 83.6 | Confident | 24 Ų | 24 | 47.5 Ų | 47.5 | 25% | 0.247 | 27% | 0.271 | C | S | . | . | trans | 75.7 | -157.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | W2468 | G2422-W2468 WeakPolarHBondContact O-CZ2 3.28Š| ||
| 2423 | H | 74.2 | Confident | 82.6 | Confident | 157 Ų | 157 | 50.9 Ų | 50.9 | 73% | 0.727 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -111.4 | 128.6 | 174.3 | -79.3 | -100.1 | 0 | 0 | 0 | 110.3 | F2388 | F2388-H2423 AromaticContact CE1-CD2 3.78Å; F2388-H2423 AromaticContact CE1-NE2 3.68Å |
| 2424 | D | 79.2 | Confident | 81.8 | Confident | 64 Ų | 64 | 54 Ų | 54 | 34% | 0.342 | 31% | 0.312 | S | S | . | . | trans | -158.8 | -179.1 | 174.9 | -143.5 | -36.1 | 0 | 0 | 0 | 110.1 | S2391 W2468 G2469 | S2391-D2424 WeakPolarHBondContact CB-OD2 3.5Å; S2391-D2424 WeakPolarHBondContact OG-CB 3.04Å; S2391-D2424 PolarHBondContact OG-OD2 3.17Å; D2424-W2468 HydrophobicContact CB-CD2 3.96Å; D2424-W2468 HydrophobicContact CB-CG 3.99Å; D2424-W2468 HydrophobicContact CB-CZ2 4.11Å; D2424-W2468 VanDerWaalsContact CB-NE1 3.34Å; D2424-G2469 VanDerWaalsContact CG-CA 3.41Å; D2424-G2469 VanDerWaalsContact CG-N 3.35Å; D2424-G2469 WeakPolarHBondContact OD1-CA 3.43Å; D2424-G2469 PolarHBondContact OD1-N 2.87Å | ||
| 2425 | V | 78.8 | Confident | 80.8 | Confident | 77 Ų | 77 | 56.8 Ų | 56.8 | 47% | 0.467 | 33% | 0.329 | S | S | . | . | trans | -87.5 | 128.1 | 177.6 | -178.2 | 0 | 0 | 0 | 0 | 111 | Y2427 W2468 G2469 | V2425-Y2427 HydrophobicContact CB-CD2 4.5Å; V2425-Y2427 HydrophobicContact CB-CE2 3.91Å; V2425-Y2427 HydrophobicContact CG1-CD2 4.11Å; V2425-Y2427 HydrophobicContact CG1-CE1 4.3Å; V2425-Y2427 HydrophobicContact CG1-CE2 3.67Å; V2425-W2468 WeakPolarHBondContact O-CA 3.34Å; V2425-G2469 PolarHBondContact O-N 2.83Å | ||
| 2426 | L | 88.1 | Confident | 79.9 | Confident | 22 Ų | 22 | 57.6 Ų | 57.6 | 12% | 0.115 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 118.7 | 169.5 | -179.2 | 63.6 | 0 | 0 | 0 | 110.2 | V2416 V2428 I2442 Y2450 I2452 I2466 K2467 W2468 | V2416-L2426 HydrophobicContact CG1-CD1 4.06Å; L2426-V2428 HydrophobicContact CD1-CG2 4.19Å; L2426-V2428 HydrophobicContact CD2-CG2 4.38Å; L2426-V2428 HydrophobicContact CG-CG2 4.07Å; L2426-I2442 HydrophobicContact CD2-CG2 4.09Å; L2426-Y2450 HydrophobicContact CD2-CD1 3.76Å; L2426-Y2450 HydrophobicContact CD2-CD2 3.86Å; L2426-Y2450 HydrophobicContact CD2-CE1 4.27Å; L2426-Y2450 HydrophobicContact CD2-CE2 4.37Å; L2426-Y2450 HydrophobicContact CD2-CG 3.54Å; L2426-I2452 HydrophobicContact CD2-CD1 4.36Å; L2426-I2466 HydrophobicContact CD1-CG2 3.88Å; L2426-K2467 WeakPolarHBondContact CA-O 3.1Å; L2426-W2468 HydrophobicContact CB-CE3 4.11Å; L2426-W2468 HydrophobicContact CB-CZ3 3.96Å; L2426-W2468 HydrophobicContact CD1-CE3 4.28Å |
| 2427 | Y | 85.5 | Confident | 79.4 | Confident | 121 Ų | 121 | 58.8 Ų | 58.8 | 48% | 0.475 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 136.5 | 166 | -60.2 | -92.4 | 0 | 0 | 0 | 109.9 | V2425 I2466 K2467 G2469 | V2425-Y2427 HydrophobicContact CB-CD2 4.5Å; V2425-Y2427 HydrophobicContact CB-CE2 3.91Å; V2425-Y2427 HydrophobicContact CG1-CD2 4.11Å; V2425-Y2427 HydrophobicContact CG1-CE1 4.3Å; V2425-Y2427 HydrophobicContact CG1-CE2 3.67Å; Y2427-I2466 CarbonylContact O-C 3.34Å; Y2427-I2466 WeakPolarHBondContact O-CA 3.15Å; Y2427-K2467 HydrophobicContact CD2-CB 4.35Å; Y2427-K2467 PolarHBondContact N-O 3.25Å; Y2427-K2467 PolarHBondContact O-N 2.97Å; Y2427-G2469 WeakPolarHBondContact CD2-O 3.46Å |
| 2428 | V | 90.4 | Very high | 79 | Confident | 30 Ų | 30 | 62 Ų | 62 | 18% | 0.182 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 141.6 | 171.5 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | F2414 L2426 V2440 I2442 I2452 M2465 I2466 | F2414-V2428 HydrophobicContact CZ-CG1 4.25Å; L2426-V2428 HydrophobicContact CD1-CG2 4.19Å; L2426-V2428 HydrophobicContact CD2-CG2 4.38Å; L2426-V2428 HydrophobicContact CG-CG2 4.07Å; V2428-V2440 HydrophobicContact CG1-CG1 4.16Å; V2428-I2442 HydrophobicContact CB-CD1 3.97Å; V2428-I2442 HydrophobicContact CG2-CD1 3.99Å; V2428-I2452 HydrophobicContact CG1-CG2 4.27Å; V2428-I2452 HydrophobicContact CG2-CG1 4.31Å; V2428-M2465 CarbonylContact C-O 3.51Å; V2428-M2465 VanDerWaalsContact CA-O 3.3Å; V2428-M2465 WeakPolarHBondContact CA-O 3.17Å; V2428-I2466 HydrophobicContact CG1-CG1 4.48Å; V2428-I2466 HydrophobicContact CG2-CG2 4.47Å |
| 2429 | G | 84.5 | Confident | 78.8 | Confident | 23 Ų | 23 | 66.8 Ų | 66.8 | 24% | 0.237 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 144.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | M2465 | G2429-M2465 PolarHBondContact N-O 2.82Å; G2429-M2465 PolarHBondContact O-N 2.88Å |
| 2430 | V | 88.1 | Confident | 79.1 | Confident | 21 Ų | 21 | 66 Ų | 66 | 13% | 0.127 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 131.1 | -177.4 | -179 | 0 | 0 | 0 | 0 | 109 | C2437 V2440 Y2454 V2456 L2463 I2464 | V2430-C2437 HydrophobicContact CB-CB 3.79Å; V2430-C2437 HydrophobicContact CG1-CB 3.93Å; V2430-V2440 HydrophobicContact CB-CG2 4.36Å; V2430-V2440 HydrophobicContact CG2-CG2 3.97Å; V2430-Y2454 HydrophobicContact CG1-CD2 4.12Å; V2430-Y2454 HydrophobicContact CG1-CE2 4.4Å; V2430-Y2454 HydrophobicContact CG2-CD1 4.42Å; V2430-Y2454 HydrophobicContact CG2-CD2 4.11Å; V2430-Y2454 HydrophobicContact CG2-CG 3.94Å; V2430-V2456 HydrophobicContact CG1-CG1 4.13Å; V2430-L2463 WeakPolarHBondContact CA-O 3.25Å; V2430-I2464 HydrophobicContact CG2-CG1 4.34Å; V2430-I2464 HydrophobicContact CG2-CG2 4.37Å |
| 2431 | S | 81.2 | Confident | 79.5 | Confident | 59 Ų | 59 | 63.6 Ų | 63.6 | 41% | 0.413 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 118.5 | -179.8 | -169.3 | 0 | 0 | 0 | 0 | 110.4 | H2462 L2463 | S2431-H2462 WeakPolarHBondContact O-CA 3.27Å; S2431-L2463 PolarHBondContact N-O 3.43Å; S2431-L2463 PolarHBondContact O-N 2.88Å |
| 2432 | G | 75.6 | Confident | 80.3 | Confident | 19 Ų | 19 | 67 Ų | 67 | 20% | 0.196 | 39% | 0.387 | C | S | . | . | trans | -88.4 | 169.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | H2462 | G2432-H2462 WeakPolarHBondContact CA-CD2 3.48Å; G2432-H2462 WeakPolarHBondContact CA-NE2 3.16Å | ||
| 2433 | P | 69.9 | Low | 81 | Confident | 80 Ų | 80 | 72.4 Ų | 72.4 | 52% | 0.519 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -79 | -25.3 | 177.3 | 31 | -35.2 | 0 | 0 | 0 | 114 | D2458 | P2433-D2458 VanDerWaalsContact CD-OD2 3.29Å; P2433-D2458 WeakPolarHBondContact CD-OD2 3.38Å |
| 2434 | V | 74.1 | Confident | 81.4 | Confident | 127 Ų | 127 | 70.1 Ų | 70.1 | 77% | 0.77 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -130.4 | -40.2 | -175.6 | -175.1 | 0 | 0 | 0 | 0 | 112.4 | D2458 | V2434-D2458 WeakPolarHBondContact CA-OD2 3.47Å; V2434-D2458 WeakPolarHBondContact CB-OD2 3.46Å; V2434-D2458 PolarHBondContact N-OD2 2.81Å |
| 2435 | V | 71.9 | Confident | 81.4 | Confident | 64 Ų | 64 | 72.4 Ų | 72.4 | 39% | 0.388 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -118.6 | 151.1 | -174.9 | -167.3 | 0 | 0 | 0 | 0 | 110.6 | D2458 | V2435-D2458 HydrophobicContact CB-CB 4.35Å; V2435-D2458 HydrophobicContact CG2-CB 4.02Å; V2435-D2458 PolarHBondContact N-OD2 2.89Å |
| 2436 | A | 70.5 | Confident | 80.8 | Confident | 80 Ų | 80 | 69.6 Ų | 69.6 | 66% | 0.661 | 39% | 0.39 | S | S | * | . | B | Isolated β-bridge | trans | -74.7 | 143.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | E2438 | A2436-E2438 PolarHBondContact O-N 2.96Å |
| 2437 | C | 80.9 | Confident | 80.4 | Confident | 25 Ų | 25 | 79.2 Ų | 79.2 | 17% | 0.169 | 43% | 0.426 | C | S | . | . | trans | -57.4 | 134.3 | 172.2 | -179 | 0 | 0 | 0 | 0 | 110.4 | V2430 E2439 V2440 T2455 V2456 | V2430-C2437 HydrophobicContact CB-CB 3.79Å; V2430-C2437 HydrophobicContact CG1-CB 3.93Å; C2437-E2439 PolarHBondContact SG-O 2.61Å; C2437-E2439 VanDerWaalsContact SG-O 3.4Å; C2437-V2440 VanDerWaalsContact SG-CG2 3.58Å; C2437-T2455 PolarHBondContact SG-O 3.44Å; C2437-V2456 HydrophobicContact CB-CG1 4.3Å | ||
| 2438 | E | 81.6 | Confident | 80 | Confident | 107 Ų | 107 | 74.3 Ų | 74.3 | 50% | 0.5 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -77.7 | -45.4 | -169 | 173.6 | 163.9 | -150.5 | 0 | 0 | 112.5 | A2436 T2455 R2457 | A2436-E2438 PolarHBondContact O-N 2.96Å; E2438-T2455 PolarHBondContact N-O 3.37Å; E2438-R2457 VanDerWaalsContact CD-NE 3.32Å; E2438-R2457 IonicContact OE1-CZ 3.1Å; E2438-R2457 IonicContact OE1-NE 3Å; E2438-R2457 IonicContact OE1-NH2 2.69Å; E2438-R2457 PolarHBondContact OE1-NH2 3.31Å; E2438-R2457 IonicContact OE2-CZ 3.24Å; E2438-R2457 VanDerWaalsContact OE2-CZ 3.26Å; E2438-R2457 IonicContact OE2-NE 2.72Å; E2438-R2457 PolarHBondContact OE2-NE 2.82Å; E2438-R2457 IonicContact OE2-NH2 3.85Å; E2438-R2457 PolarHBondContact OE2-NH2 3.22Å |
| 2439 | E | 82.2 | Confident | 79.8 | Confident | 102 Ų | 102 | 77.3 Ų | 77.3 | 48% | 0.477 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 140.3 | 175.8 | -169 | -178.4 | 154.4 | 0 | 0 | 109.3 | C2437 N2441 Y2454 T2455 | C2437-E2439 PolarHBondContact SG-O 2.61Å; C2437-E2439 VanDerWaalsContact SG-O 3.4Å; E2439-N2441 WeakPolarHBondContact OE1-CB 3.3Å; E2439-N2441 PolarHBondContact OE1-ND2 2.93Å; E2439-Y2454 WeakPolarHBondContact O-CA 3.32Å; E2439-T2455 PolarHBondContact O-N 3.28Å |
| 2440 | V | 87.7 | Confident | 80 | Confident | 54 Ų | 54 | 78.2 Ų | 78.2 | 33% | 0.327 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 111.6 | 165.3 | -178.6 | 0 | 0 | 0 | 0 | 107.3 | V2428 V2430 C2437 I2452 S2453 | V2428-V2440 HydrophobicContact CG1-CG1 4.16Å; V2430-V2440 HydrophobicContact CB-CG2 4.36Å; V2430-V2440 HydrophobicContact CG2-CG2 3.97Å; C2437-V2440 VanDerWaalsContact SG-CG2 3.58Å; V2440-I2452 HydrophobicContact CG1-CG2 4.29Å; V2440-S2453 WeakPolarHBondContact CA-O 3.4Å |
| 2441 | N | 84.4 | Confident | 80.2 | Confident | 80 Ų | 80 | 78.9 Ų | 78.9 | 43% | 0.428 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 133.8 | -174.8 | -150.8 | -42.4 | 0 | 0 | 0 | 110 | E2439 I2452 S2453 | E2439-N2441 WeakPolarHBondContact OE1-CB 3.3Å; E2439-N2441 PolarHBondContact OE1-ND2 2.93Å; N2441-I2452 WeakPolarHBondContact O-CA 3.28Å; N2441-S2453 WeakPolarHBondContact CB-OG 3.41Å; N2441-S2453 PolarHBondContact N-O 2.92Å; N2441-S2453 PolarHBondContact O-N 3.24Å |
| 2442 | I | 89.2 | Confident | 80.7 | Confident | 72 Ų | 72 | 76.1 Ų | 76.1 | 37% | 0.369 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 111.2 | -172.5 | -54 | 177.6 | 0 | 0 | 0 | 109.4 | L2426 V2428 Y2450 I2452 | L2426-I2442 HydrophobicContact CD2-CG2 4.09Å; V2428-I2442 HydrophobicContact CB-CD1 3.97Å; V2428-I2442 HydrophobicContact CG2-CD1 3.99Å; I2442-Y2450 HydrophobicContact CG2-CD1 4.29Å; I2442-I2452 HydrophobicContact CB-CG1 4.44Å; I2442-I2452 HydrophobicContact CG1-CG1 4.09Å; I2442-I2452 HydrophobicContact CG2-CG1 4.15Å |
| 2443 | K | 83.6 | Confident | 81.5 | Confident | 136 Ų | 136 | 76.9 Ų | 76.9 | 59% | 0.591 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 109.6 | -178.5 | -173.8 | 176 | -179.8 | 177.2 | 0 | 110.3 | M2445 Y2450 S2451 | K2443-M2445 HydrophobicContact CD-SD 3.96Å; K2443-M2445 HydrophobicContact CG-SD 3.95Å; K2443-M2445 PolarHBondContact O-N 3.38Å; K2443-Y2450 CarbonylContact O-C 3.48Å; K2443-Y2450 WeakPolarHBondContact O-CA 3.48Å; K2443-S2451 PolarHBondContact N-O 3.31Å; K2443-S2451 PolarHBondContact O-N 3.27Å |
| 2444 | H | 82.3 | Confident | 82.5 | Confident | 109 Ų | 109 | 73.1 Ų | 73.1 | 51% | 0.505 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 123.3 | 171.3 | 177.1 | -124.2 | 0 | 0 | 0 | 109.9 | Q2449 Y2450 | H2444-Q2449 PolarHBondContact CD2-O 2.82Å; H2444-Q2449 VanDerWaalsContact CD2-O 3.26Å; H2444-Y2450 HydrophobicContact CB-CD1 3.84Å; H2444-Y2450 HydrophobicContact CB-CE1 3.85Å; H2444-Y2450 AromaticContact CD2-CD1 3.86Å; H2444-Y2450 AromaticContact CD2-CE1 3.5Å; H2444-Y2450 VanDerWaalsContact CD2-CE1 3.5Å; H2444-Y2450 WeakPolarHBondContact CD2-CE1 3.48Å; H2444-Y2450 AromaticContact CD2-CZ 3.73Å; H2444-Y2450 AromaticContact CG-CE1 3.92Å |
| 2445 | M | 78.2 | Confident | 83.2 | Confident | 112 Ų | 112 | 68.2 Ų | 68.2 | 55% | 0.552 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | -4.3 | -174.9 | -61.7 | -64.5 | -71.5 | 0 | 0 | 113.1 | K2443 Q2449 | K2443-M2445 HydrophobicContact CD-SD 3.96Å; K2443-M2445 HydrophobicContact CG-SD 3.95Å; K2443-M2445 PolarHBondContact O-N 3.38Å; M2445-Q2449 HydrophobicContact CB-CB 4.33Å; M2445-Q2449 PolarHBondContact N-O 3.18Å |
| 2446 | G | 67 | Low | 83.9 | Confident | 19 Ų | 19 | 65.2 Ų | 65.2 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 99.4 | 164.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G2448 Q2449 | G2446-G2448 PolarHBondContact O-N 3.3Å; G2446-Q2449 PolarHBondContact O-N 2.86Å |
| 2447 | Y | 78.7 | Confident | 84.4 | Confident | 223 Ų | 223 | 67.9 Ų | 67.9 | 88% | 0.875 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 27.1 | 178.4 | -56.5 | -76.4 | 0 | 0 | 0 | 115.7 | S2419 Q2449 | S2419-Y2447 VanDerWaalsContact CB-O 3.26Å; S2419-Y2447 WeakPolarHBondContact CB-O 3.28Å; Y2447-Q2449 VanDerWaalsContact C-N 3.33Å |
| 2448 | G | 77.8 | Confident | 84.4 | Confident | 18 Ų | 18 | 67.5 Ų | 67.5 | 19% | 0.186 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 11.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A2418 G2446 Y2450 | A2418-G2448 WeakPolarHBondContact CA-O 3.33Å; A2418-G2448 WeakPolarHBondContact CB-O 3.41Å; A2418-G2448 PolarHBondContact N-O 2.9Å; G2446-G2448 PolarHBondContact O-N 3.3Å; G2448-Y2450 WeakPolarHBondContact O-CE2 3.46Å |
| 2449 | Q | 86.5 | Confident | 84.3 | Confident | 94 Ų | 94 | 70.9 Ų | 70.9 | 44% | 0.439 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 142.2 | 169.5 | -68.1 | -172.6 | -17 | 0 | 0 | 111.5 | V2416 N2417 H2444 M2445 G2446 Y2447 | V2416-Q2449 CarbonylContact O-C 3.58Å; V2416-Q2449 WeakPolarHBondContact O-CA 3.46Å; N2417-Q2449 HydrophobicContact CB-CG 4.14Å; N2417-Q2449 PolarHBondContact ND2-NE2 2.95Å; H2444-Q2449 PolarHBondContact CD2-O 2.82Å; H2444-Q2449 VanDerWaalsContact CD2-O 3.26Å; M2445-Q2449 HydrophobicContact CB-CB 4.33Å; M2445-Q2449 PolarHBondContact N-O 3.18Å; G2446-Q2449 PolarHBondContact O-N 2.86Å; Y2447-Q2449 VanDerWaalsContact C-N 3.33Å |
| 2450 | Y | 89.6 | Confident | 84.1 | Confident | 42 Ų | 42 | 67.3 Ų | 67.3 | 17% | 0.165 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 142.2 | 178.6 | -56.8 | -98.2 | 0 | 0 | 0 | 109.2 | T2415 V2416 L2426 I2442 K2443 H2444 G2448 W2468 | T2415-Y2450 CarbonylContact C-O 3.56Å; T2415-Y2450 VanDerWaalsContact CA-O 3.25Å; T2415-Y2450 WeakPolarHBondContact CA-O 3.41Å; V2416-Y2450 PolarHBondContact N-O 3.43Å; V2416-Y2450 PolarHBondContact O-N 3.37Å; L2426-Y2450 HydrophobicContact CD2-CD1 3.76Å; L2426-Y2450 HydrophobicContact CD2-CD2 3.86Å; L2426-Y2450 HydrophobicContact CD2-CE1 4.27Å; L2426-Y2450 HydrophobicContact CD2-CE2 4.37Å; L2426-Y2450 HydrophobicContact CD2-CG 3.54Å; I2442-Y2450 HydrophobicContact CG2-CD1 4.29Å; K2443-Y2450 CarbonylContact O-C 3.48Å; K2443-Y2450 WeakPolarHBondContact O-CA 3.48Å; H2444-Y2450 HydrophobicContact CB-CD1 3.84Å; H2444-Y2450 HydrophobicContact CB-CE1 3.85Å; H2444-Y2450 AromaticContact CD2-CD1 3.86Å; H2444-Y2450 AromaticContact CD2-CE1 3.5Å; H2444-Y2450 VanDerWaalsContact CD2-CE1 3.5Å; H2444-Y2450 WeakPolarHBondContact CD2-CE1 3.48Å; H2444-Y2450 AromaticContact CD2-CZ 3.73Å; H2444-Y2450 AromaticContact CG-CE1 3.92Å; G2448-Y2450 WeakPolarHBondContact O-CE2 3.46Å; Y2450-W2468 AromaticContact CE2-CH2 3.92Å; Y2450-W2468 HydrophobicContact CE2-CH2 3.92Å; Y2450-W2468 AromaticContact CE2-CZ3 3.68Å; Y2450-W2468 HydrophobicContact CE2-CZ3 3.68Å |
| 2451 | S | 91 | Very high | 83.9 | Confident | 35 Ų | 35 | 72.9 Ų | 72.9 | 25% | 0.245 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 136.8 | 166.5 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | K2443 | K2443-S2451 PolarHBondContact N-O 3.31Å; K2443-S2451 PolarHBondContact O-N 3.27Å |
| 2452 | I | 93.1 | Very high | 84 | Confident | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 136.7 | 179.7 | -64.3 | 100.1 | 0 | 0 | 0 | 109 | T2413 F2414 V2416 L2426 V2428 V2440 N2441 I2442 | T2413-I2452 CarbonylContact C-O 3.35Å; T2413-I2452 VanDerWaalsContact CA-O 3.29Å; T2413-I2452 WeakPolarHBondContact CA-O 3.22Å; F2414-I2452 HydrophobicContact CD1-CB 4.45Å; F2414-I2452 HydrophobicContact CD1-CG2 4.49Å; F2414-I2452 HydrophobicContact CD2-CB 4.28Å; F2414-I2452 HydrophobicContact CD2-CD1 4.21Å; F2414-I2452 HydrophobicContact CE1-CB 4.09Å; F2414-I2452 HydrophobicContact CE1-CG2 3.77Å; F2414-I2452 HydrophobicContact CE2-CB 3.89Å; F2414-I2452 HydrophobicContact CE2-CD1 3.75Å; F2414-I2452 HydrophobicContact CE2-CG1 4.21Å; F2414-I2452 HydrophobicContact CE2-CG2 4.27Å; F2414-I2452 HydrophobicContact CZ-CB 3.8Å; F2414-I2452 HydrophobicContact CZ-CD1 4.38Å; F2414-I2452 HydrophobicContact CZ-CG1 4.36Å; F2414-I2452 HydrophobicContact CZ-CG2 3.65Å; F2414-I2452 PolarHBondContact N-O 2.92Å; F2414-I2452 PolarHBondContact O-N 2.91Å; V2416-I2452 HydrophobicContact CB-CD1 4.02Å; V2416-I2452 HydrophobicContact CG2-CD1 3.58Å; L2426-I2452 HydrophobicContact CD2-CD1 4.36Å; V2428-I2452 HydrophobicContact CG1-CG2 4.27Å; V2428-I2452 HydrophobicContact CG2-CG1 4.31Å; V2440-I2452 HydrophobicContact CG1-CG2 4.29Å; N2441-I2452 WeakPolarHBondContact O-CA 3.28Å; I2442-I2452 HydrophobicContact CB-CG1 4.44Å; I2442-I2452 HydrophobicContact CG1-CG1 4.09Å; I2442-I2452 HydrophobicContact CG2-CG1 4.15Å |
| 2453 | S | 91.1 | Very high | 83.9 | Confident | 34 Ų | 34 | 69.3 Ų | 69.3 | 24% | 0.238 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 143.4 | 169.3 | 57.8 | 0 | 0 | 0 | 0 | 110.3 | N2412 V2440 N2441 | N2412-S2453 CarbonylContact O-C 3.44Å; N2412-S2453 VanDerWaalsContact O-CA 3.31Å; N2412-S2453 WeakPolarHBondContact O-CA 3.24Å; V2440-S2453 WeakPolarHBondContact CA-O 3.4Å; N2441-S2453 WeakPolarHBondContact CB-OG 3.41Å; N2441-S2453 PolarHBondContact N-O 2.92Å; N2441-S2453 PolarHBondContact O-N 3.24Å |
| 2454 | Y | 92 | Very high | 84.3 | Confident | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 151.2 | 174.5 | 69.2 | -88.1 | 0 | 0 | 0 | 113.3 | G2402 A2406 N2412 F2414 V2430 E2439 V2456 I2464 | G2402-Y2454 WeakPolarHBondContact O-CE1 3.37Å; G2402-Y2454 PolarHBondContact O-OH 2.88Å; A2406-Y2454 HydrophobicContact CB-CE2 4.32Å; A2406-Y2454 WeakPolarHBondContact CB-OH 3.36Å; N2412-Y2454 HydrophobicContact CB-CD1 4.11Å; N2412-Y2454 HydrophobicContact CB-CD2 4.16Å; N2412-Y2454 HydrophobicContact CB-CE1 3.73Å; N2412-Y2454 HydrophobicContact CB-CE2 3.77Å; N2412-Y2454 HydrophobicContact CB-CG 4.31Å; N2412-Y2454 WeakPolarHBondContact CB-O 3.1Å; N2412-Y2454 PolarHBondContact N-O 3Å; N2412-Y2454 PolarHBondContact ND2-O 3.3Å; N2412-Y2454 VanDerWaalsContact O-CD1 3.23Å; N2412-Y2454 WeakPolarHBondContact O-CD1 3.24Å; N2412-Y2454 PolarHBondContact O-N 3.04Å; F2414-Y2454 HydrophobicContact CD1-CD1 4.27Å; F2414-Y2454 AromaticContact CD1-CE1 4Å; F2414-Y2454 HydrophobicContact CD1-CE1 4Å; F2414-Y2454 AromaticContact CE1-CD1 3.89Å; F2414-Y2454 HydrophobicContact CE1-CD1 3.89Å; F2414-Y2454 AromaticContact CE1-CE1 3.86Å; F2414-Y2454 HydrophobicContact CE1-CE1 3.86Å; V2430-Y2454 HydrophobicContact CG1-CD2 4.12Å; V2430-Y2454 HydrophobicContact CG1-CE2 4.4Å; V2430-Y2454 HydrophobicContact CG2-CD1 4.42Å; V2430-Y2454 HydrophobicContact CG2-CD2 4.11Å; V2430-Y2454 HydrophobicContact CG2-CG 3.94Å; E2439-Y2454 WeakPolarHBondContact O-CA 3.32Å; Y2454-V2456 HydrophobicContact CD2-CG1 4.03Å; Y2454-V2456 HydrophobicContact CE2-CG1 4.24Å; Y2454-V2456 HydrophobicContact CE2-CG2 4.37Å; Y2454-I2464 HydrophobicContact CE1-CD1 3.7Å; Y2454-I2464 HydrophobicContact CE2-CD1 4.41Å; Y2454-I2464 WeakPolarHBondContact OH-CD1 3.37Å |
| 2455 | T | 89 | Confident | 84.6 | Confident | 24 Ų | 24 | 61.8 Ų | 61.8 | 15% | 0.147 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 134.7 | -177.7 | -62.6 | 0 | 0 | 0 | 0 | 111.6 | E2410 C2437 E2438 E2439 | E2410-T2455 PolarHBondContact O-OG1 3.21Å; C2437-T2455 PolarHBondContact SG-O 3.44Å; E2438-T2455 PolarHBondContact N-O 3.37Å; E2439-T2455 PolarHBondContact O-N 3.28Å |
| 2456 | V | 85.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -133.4 | 145.9 | -169.4 | -77.9 | 0 | 0 | 0 | 0 | 110.6 | N2409 V2430 C2437 Y2454 H2462 V2482 | N2409-V2456 PolarHBondContact N-O 3.11Å; V2430-V2456 HydrophobicContact CG1-CG1 4.13Å; C2437-V2456 HydrophobicContact CB-CG1 4.3Å; Y2454-V2456 HydrophobicContact CD2-CG1 4.03Å; Y2454-V2456 HydrophobicContact CE2-CG1 4.24Å; Y2454-V2456 HydrophobicContact CE2-CG2 4.37Å; V2456-H2462 WeakPolarHBondContact CG1-NE2 3.44Å; V2456-V2482 HydrophobicContact CG2-CB 4.47Å; V2456-V2482 HydrophobicContact CG2-CG1 3.69Å; V2456-V2482 HydrophobicContact CG2-CG2 3.85Å | ||
| 2457 | R | 80.9 | Confident | 86.4 | Confident | 137 Ų | 137 | 58.7 Ų | 58.7 | 52% | 0.517 | 27% | 0.267 | S | S | . | . | trans | -116.2 | -10.6 | -168.7 | -71.3 | -170.7 | 170.9 | -159.2 | -5 | 114.9 | L2408 E2438 | L2408-R2457 WeakPolarHBondContact CD1-O 3.39Å; E2438-R2457 VanDerWaalsContact CD-NE 3.32Å; E2438-R2457 IonicContact OE1-CZ 3.1Å; E2438-R2457 IonicContact OE1-NE 3Å; E2438-R2457 IonicContact OE1-NH2 2.69Å; E2438-R2457 PolarHBondContact OE1-NH2 3.31Å; E2438-R2457 IonicContact OE2-CZ 3.24Å; E2438-R2457 VanDerWaalsContact OE2-CZ 3.26Å; E2438-R2457 IonicContact OE2-NE 2.72Å; E2438-R2457 PolarHBondContact OE2-NE 2.82Å; E2438-R2457 IonicContact OE2-NH2 3.85Å; E2438-R2457 PolarHBondContact OE2-NH2 3.22Å | ||
| 2458 | D | 80.4 | Confident | 86.9 | Confident | 16 Ų | 16 | 48.2 Ų | 48.2 | 9% | 0.086 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -117.4 | 141.6 | 179.2 | 51.4 | -33.8 | 0 | 0 | 0 | 111.8 | P2433 V2434 V2435 H2462 V2482 | P2433-D2458 VanDerWaalsContact CD-OD2 3.29Å; P2433-D2458 WeakPolarHBondContact CD-OD2 3.38Å; V2434-D2458 WeakPolarHBondContact CA-OD2 3.47Å; V2434-D2458 WeakPolarHBondContact CB-OD2 3.46Å; V2434-D2458 PolarHBondContact N-OD2 2.81Å; V2435-D2458 HydrophobicContact CB-CB 4.35Å; V2435-D2458 HydrophobicContact CG2-CB 4.02Å; V2435-D2458 PolarHBondContact N-OD2 2.89Å; D2458-H2462 PolarHBondContact O-CE1 3.34Å; D2458-H2462 VanDerWaalsContact O-CE1 3.27Å; D2458-H2462 IonicContact OD1-CE1 3.45Å; D2458-H2462 IonicContact OD1-NE2 2.74Å; D2458-H2462 PolarHBondContact OD1-NE2 2.88Å; D2458-V2482 WeakPolarHBondContact O-CG1 3.44Å |
| 2459 | R | 79.7 | Confident | 87.2 | Confident | 179 Ų | 179 | 47.7 Ų | 47.7 | 68% | 0.675 | 22% | 0.221 | S | C | * | . | trans | -76 | 151.3 | -180 | -104.1 | 168.4 | -179.9 | 175.4 | -0.6 | 111.3 | L2408 I2483 | L2408-R2459 HydrophobicContact CD1-CB 4.27Å; L2408-R2459 HydrophobicContact CD1-CG 3.79Å; R2459-I2483 PolarHBondContact NE-OXT 3.02Å; R2459-I2483 PolarHBondContact NH2-OXT 2.67Å | ||
| 2460 | G | 79.3 | Confident | 87 | Confident | 26 Ų | 26 | 49.6 Ų | 49.6 | 27% | 0.268 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 97.3 | -160.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | H2462 V2482 | G2460-H2462 PolarHBondContact O-N 3.32Å; G2460-H2462 PolarHBondContact O-ND1 3.13Å; G2460-V2482 PolarHBondContact N-O 2.86Å; G2460-V2482 WeakPolarHBondContact O-CB 3.27Å; G2460-V2482 PolarHBondContact O-N 3.25Å |
| 2461 | R | 81.8 | Confident | 86.6 | Confident | 172 Ų | 172 | 53.8 Ų | 53.8 | 65% | 0.649 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 106.5 | -152.8 | -158.7 | 162.5 | -159.3 | -131.3 | -1.5 | 113.7 | T2479 D2481 | R2461-T2479 HydrophobicContact CG-CG2 3.47Å; R2461-T2479 VanDerWaalsContact CG-CG2 3.47Å; R2461-D2481 WeakPolarHBondContact CA-OD1 3.42Å; R2461-D2481 VanDerWaalsContact CB-OD1 3.29Å; R2461-D2481 WeakPolarHBondContact CB-OD1 3.44Å; R2461-D2481 WeakPolarHBondContact CG-OD1 3.45Å; R2461-D2481 IonicContact NE-OD1 2.73Å |
| 2462 | H | 87.1 | Confident | 86.3 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 155.9 | -179.9 | -80.7 | 60.5 | 0 | 0 | 0 | 112.7 | S2431 G2432 V2456 D2458 G2460 T2479 V2480 V2482 | S2431-H2462 WeakPolarHBondContact O-CA 3.27Å; G2432-H2462 WeakPolarHBondContact CA-CD2 3.48Å; G2432-H2462 WeakPolarHBondContact CA-NE2 3.16Å; V2456-H2462 WeakPolarHBondContact CG1-NE2 3.44Å; D2458-H2462 PolarHBondContact O-CE1 3.34Å; D2458-H2462 VanDerWaalsContact O-CE1 3.27Å; D2458-H2462 IonicContact OD1-CE1 3.45Å; D2458-H2462 IonicContact OD1-NE2 2.74Å; D2458-H2462 PolarHBondContact OD1-NE2 2.88Å; G2460-H2462 PolarHBondContact O-N 3.32Å; G2460-H2462 PolarHBondContact O-ND1 3.13Å; H2462-T2479 WeakPolarHBondContact O-CA 3.16Å; H2462-V2480 PolarHBondContact N-O 2.91Å; H2462-V2480 PolarHBondContact O-N 2.87Å; H2462-V2482 HydrophobicContact CB-CG2 4.08Å; H2462-V2482 WeakPolarHBondContact ND1-CG2 3.11Å |
| 2463 | L | 87.5 | Confident | 86.2 | Confident | 77 Ų | 77 | 56 Ų | 56 | 40% | 0.403 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 126.7 | 175.8 | -75.2 | 164 | 0 | 0 | 0 | 111.3 | V2430 S2431 P2477 F2478 T2479 | V2430-L2463 WeakPolarHBondContact CA-O 3.25Å; S2431-L2463 PolarHBondContact N-O 3.43Å; S2431-L2463 PolarHBondContact O-N 2.88Å; L2463-P2477 HydrophobicContact CD2-CB 4.16Å; L2463-P2477 HydrophobicContact CD2-CG 4.46Å; L2463-F2478 WeakPolarHBondContact CA-O 3.5Å; L2463-T2479 HydrophobicContact CD2-CG2 4.42Å; L2463-T2479 WeakPolarHBondContact CD2-OG1 3.13Å |
| 2464 | I | 91 | Very high | 85.7 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 108 | 178.7 | -52 | 175.9 | 0 | 0 | 0 | 109.2 | G2402 L2403 F2414 V2430 Y2454 I2466 P2477 F2478 V2480 | G2402-I2464 VanDerWaalsContact O-CD1 3.31Å; G2402-I2464 WeakPolarHBondContact O-CD1 3.42Å; L2403-I2464 HydrophobicContact CD2-CD1 4.25Å; L2403-I2464 HydrophobicContact CD2-CG2 4.38Å; F2414-I2464 HydrophobicContact CE1-CG2 4.22Å; F2414-I2464 HydrophobicContact CZ-CG2 4.1Å; V2430-I2464 HydrophobicContact CG2-CG1 4.34Å; V2430-I2464 HydrophobicContact CG2-CG2 4.37Å; Y2454-I2464 HydrophobicContact CE1-CD1 3.7Å; Y2454-I2464 HydrophobicContact CE2-CD1 4.41Å; Y2454-I2464 WeakPolarHBondContact OH-CD1 3.37Å; I2464-I2466 HydrophobicContact CG2-CD1 4.42Å; I2464-I2466 HydrophobicContact CG2-CG1 4.17Å; I2464-P2477 CarbonylContact O-C 3.39Å; I2464-P2477 WeakPolarHBondContact O-CA 3.27Å; I2464-F2478 HydrophobicContact CB-CB 4.31Å; I2464-F2478 PolarHBondContact N-O 2.88Å; I2464-F2478 PolarHBondContact O-N 2.95Å; I2464-V2480 HydrophobicContact CD1-CB 4.31Å; I2464-V2480 HydrophobicContact CD1-CG2 3.62Å; I2464-V2480 HydrophobicContact CG1-CG2 4.36Å |
| 2465 | M | 90.2 | Very high | 85.1 | Confident | 87 Ų | 87 | 60.2 Ų | 60.2 | 43% | 0.429 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 131.8 | 174.3 | -69.4 | 178.1 | -76.8 | 0 | 0 | 109.9 | V2428 G2429 P2477 | V2428-M2465 CarbonylContact C-O 3.51Å; V2428-M2465 VanDerWaalsContact CA-O 3.3Å; V2428-M2465 WeakPolarHBondContact CA-O 3.17Å; G2429-M2465 PolarHBondContact N-O 2.82Å; G2429-M2465 PolarHBondContact O-N 2.88Å; M2465-P2477 HydrophobicContact CG-CB 4.1Å |
| 2466 | I | 92 | Very high | 85 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 126.3 | 175.2 | -54.1 | 177.2 | 0 | 0 | 0 | 106.9 | C2398 L2403 F2414 V2416 L2426 Y2427 V2428 I2464 V2473 S2476 F2478 | C2398-I2466 HydrophobicContact CB-CD1 4.31Å; L2403-I2466 HydrophobicContact CD2-CD1 4.11Å; F2414-I2466 HydrophobicContact CD2-CD1 4.37Å; F2414-I2466 HydrophobicContact CE2-CD1 3.42Å; F2414-I2466 VanDerWaalsContact CE2-CD1 3.42Å; F2414-I2466 HydrophobicContact CE2-CG1 4.41Å; F2414-I2466 HydrophobicContact CZ-CD1 3.75Å; F2414-I2466 HydrophobicContact CZ-CG1 4.39Å; V2416-I2466 HydrophobicContact CG2-CD1 4.21Å; V2416-I2466 HydrophobicContact CG2-CG2 4.33Å; L2426-I2466 HydrophobicContact CD1-CG2 3.88Å; Y2427-I2466 CarbonylContact O-C 3.34Å; Y2427-I2466 WeakPolarHBondContact O-CA 3.15Å; V2428-I2466 HydrophobicContact CG1-CG1 4.48Å; V2428-I2466 HydrophobicContact CG2-CG2 4.47Å; I2464-I2466 HydrophobicContact CG2-CD1 4.42Å; I2464-I2466 HydrophobicContact CG2-CG1 4.17Å; I2466-V2473 HydrophobicContact CB-CG2 3.72Å; I2466-V2473 HydrophobicContact CG2-CG1 4.19Å; I2466-V2473 HydrophobicContact CG2-CG2 3.65Å; I2466-V2473 PolarHBondContact O-N 3.31Å; I2466-S2476 PolarHBondContact N-OG 3.23Å; I2466-S2476 VanDerWaalsContact O-CB 3.31Å; I2466-S2476 WeakPolarHBondContact O-CB 3.5Å; I2466-S2476 PolarHBondContact O-OG 3Å; I2466-S2476 VanDerWaalsContact O-OG 3.13Å; I2466-F2478 HydrophobicContact CD1-CD2 3.98Å; I2466-F2478 HydrophobicContact CD1-CE2 3.76Å; I2466-F2478 HydrophobicContact CG1-CD2 4.41Å; I2466-F2478 HydrophobicContact CG1-CE2 4.36Å |
| 2467 | K | 89.5 | Confident | 85.1 | Confident | 65 Ų | 65 | 63 Ų | 63 | 28% | 0.283 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 150.9 | 176.8 | -61.7 | -175.3 | 162.1 | -157.4 | 0 | 111.7 | L2426 Y2427 G2469 D2470 Q2471 H2472 | L2426-K2467 WeakPolarHBondContact CA-O 3.1Å; Y2427-K2467 HydrophobicContact CD2-CB 4.35Å; Y2427-K2467 PolarHBondContact N-O 3.25Å; Y2427-K2467 PolarHBondContact O-N 2.97Å; K2467-G2469 WeakPolarHBondContact CB-O 3.34Å; K2467-D2470 WeakPolarHBondContact CD-O 3.31Å; K2467-D2470 WeakPolarHBondContact CE-O 3.32Å; K2467-D2470 PolarHBondContact NZ-O 2.91Å; K2467-Q2471 CarbonylContact C-O 3.58Å; K2467-Q2471 WeakPolarHBondContact CA-O 3.42Å; K2467-Q2471 WeakPolarHBondContact CB-O 3.25Å; K2467-H2472 WeakPolarHBondContact CE-NE2 3Å |
| 2468 | W | 89.3 | Confident | 85.3 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.015 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 110.8 | 170.9 | -167.8 | -107.9 | 0 | 0 | 0 | 106.9 | P2393 V2396 A2418 A2421 G2422 D2424 V2425 L2426 Y2450 Q2471 V2473 | P2393-W2468 HydrophobicContact CB-CB 4.21Å; P2393-W2468 HydrophobicContact CG-CB 4.41Å; P2393-W2468 WeakPolarHBondContact CG-O 3.32Å; V2396-W2468 HydrophobicContact CG2-CB 3.8Å; V2396-W2468 HydrophobicContact CG2-CD2 3.83Å; V2396-W2468 HydrophobicContact CG2-CE3 4.36Å; V2396-W2468 HydrophobicContact CG2-CG 3.56Å; A2418-W2468 HydrophobicContact CB-CD2 4.12Å; A2418-W2468 HydrophobicContact CB-CE3 3.93Å; A2418-W2468 HydrophobicContact CB-CH2 3.36Å; A2418-W2468 HydrophobicContact CB-CZ2 3.54Å; A2418-W2468 HydrophobicContact CB-CZ3 3.55Å; A2421-W2468 PolarHBondContact O-NE1 3.44Å; G2422-W2468 WeakPolarHBondContact O-CZ2 3.28Å; D2424-W2468 HydrophobicContact CB-CD2 3.96Å; D2424-W2468 HydrophobicContact CB-CG 3.99Å; D2424-W2468 HydrophobicContact CB-CZ2 4.11Å; D2424-W2468 VanDerWaalsContact CB-NE1 3.34Å; V2425-W2468 WeakPolarHBondContact O-CA 3.34Å; L2426-W2468 HydrophobicContact CB-CE3 4.11Å; L2426-W2468 HydrophobicContact CB-CZ3 3.96Å; L2426-W2468 HydrophobicContact CD1-CE3 4.28Å; Y2450-W2468 AromaticContact CE2-CH2 3.92Å; Y2450-W2468 HydrophobicContact CE2-CH2 3.92Å; Y2450-W2468 AromaticContact CE2-CZ3 3.68Å; Y2450-W2468 HydrophobicContact CE2-CZ3 3.68Å; W2468-Q2471 PolarHBondContact N-O 3.42Å; W2468-V2473 HydrophobicContact CB-CG1 3.91Å |
| 2469 | G | 85.3 | Confident | 85.6 | Confident | 6 Ų | 6 | 60.3 Ų | 60.3 | 6% | 0.062 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | -144.6 | -155.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | D2424 V2425 Y2427 K2467 Q2471 | D2424-G2469 VanDerWaalsContact CG-CA 3.41Å; D2424-G2469 VanDerWaalsContact CG-N 3.35Å; D2424-G2469 WeakPolarHBondContact OD1-CA 3.43Å; D2424-G2469 PolarHBondContact OD1-N 2.87Å; V2425-G2469 PolarHBondContact O-N 2.83Å; Y2427-G2469 WeakPolarHBondContact CD2-O 3.46Å; K2467-G2469 WeakPolarHBondContact CB-O 3.34Å; G2469-Q2471 PolarHBondContact O-N 2.9Å |
| 2470 | D | 82 | Confident | 85.9 | Confident | 135 Ų | 135 | 51.8 Ų | 51.8 | 72% | 0.722 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -7.5 | -179 | -66 | -46.5 | 0 | 0 | 0 | 114.6 | K2467 | K2467-D2470 WeakPolarHBondContact CD-O 3.31Å; K2467-D2470 WeakPolarHBondContact CE-O 3.32Å; K2467-D2470 PolarHBondContact NZ-O 2.91Å |
| 2471 | Q | 80.6 | Confident | 86 | Confident | 130 Ų | 130 | 54.3 Ų | 54.3 | 61% | 0.607 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 144.1 | -168.4 | -60.2 | -175.2 | 26.9 | 0 | 0 | 113.1 | P2393 K2467 W2468 G2469 | P2393-Q2471 HydrophobicContact CB-CB 4.13Å; P2393-Q2471 HydrophobicContact CG-CB 3.83Å; P2393-Q2471 HydrophobicContact CG-CG 4.49Å; K2467-Q2471 CarbonylContact C-O 3.58Å; K2467-Q2471 WeakPolarHBondContact CA-O 3.42Å; K2467-Q2471 WeakPolarHBondContact CB-O 3.25Å; W2468-Q2471 PolarHBondContact N-O 3.42Å; G2469-Q2471 PolarHBondContact O-N 2.9Å |
| 2472 | H | 85.6 | Confident | 85.9 | Confident | 79 Ų | 79 | 46.4 Ų | 46.4 | 37% | 0.366 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 140.3 | 175 | -75.4 | -85.6 | 0 | 0 | 0 | 111.9 | K2467 S2476 | K2467-H2472 WeakPolarHBondContact CE-NE2 3Å; H2472-S2476 PolarHBondContact ND1-OG 3.03Å; H2472-S2476 VanDerWaalsContact ND1-OG 3.11Å |
| 2473 | V | 90.6 | Very high | 85 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.024 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 156.6 | 170.7 | -54.4 | 0 | 0 | 0 | 0 | 110.5 | V2396 C2398 I2466 W2468 G2475 S2476 F2478 | V2396-V2473 HydrophobicContact CB-CB 4.1Å; V2396-V2473 HydrophobicContact CB-CG1 3.69Å; V2396-V2473 HydrophobicContact CG1-CB 4.3Å; V2396-V2473 HydrophobicContact CG1-CG1 3.79Å; V2396-V2473 HydrophobicContact CG2-CG1 4.15Å; C2398-V2473 VanDerWaalsContact SG-CG2 3.53Å; I2466-V2473 HydrophobicContact CB-CG2 3.72Å; I2466-V2473 HydrophobicContact CG2-CG1 4.19Å; I2466-V2473 HydrophobicContact CG2-CG2 3.65Å; I2466-V2473 PolarHBondContact O-N 3.31Å; W2468-V2473 HydrophobicContact CB-CG1 3.91Å; V2473-G2475 PolarHBondContact O-N 3.22Å; V2473-S2476 WeakPolarHBondContact O-CB 3.23Å; V2473-S2476 PolarHBondContact O-N 2.76Å; V2473-F2478 HydrophobicContact CG2-CE2 4.29Å |
| 2474 | P | 80.9 | Confident | 84.9 | Confident | 71 Ų | 71 | 49 Ų | 49 | 46% | 0.461 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | 123 | 175.7 | -30.5 | 35.1 | 0 | 0 | 0 | 113.2 | P2393 F2478 | P2393-P2474 WeakPolarHBondContact O-CD 3.49Å; P2474-F2478 VanDerWaalsContact O-CZ 3.3Å; P2474-F2478 WeakPolarHBondContact O-CZ 3.47Å |
| 2475 | G | 79.5 | Confident | 84.6 | Confident | 53 Ų | 53 | 51.6 Ų | 51.6 | 55% | 0.546 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.5 | -10 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | V2473 P2477 F2478 | V2473-G2475 PolarHBondContact O-N 3.22Å; G2475-P2477 CarbonylContact O-C 3.5Å; G2475-P2477 VanDerWaalsContact O-C 3.31Å; G2475-F2478 WeakPolarHBondContact O-CD1 3.26Å; G2475-F2478 WeakPolarHBondContact O-CG 3.05Å; G2475-F2478 PolarHBondContact O-N 2.6Å |
| 2476 | S | 86.4 | Confident | 84.3 | Confident | 18 Ų | 18 | 49.6 Ų | 49.6 | 13% | 0.126 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -87.3 | 139.6 | 177.8 | -169.6 | 0 | 0 | 0 | 0 | 113 | I2466 H2472 V2473 | I2466-S2476 PolarHBondContact N-OG 3.23Å; I2466-S2476 VanDerWaalsContact O-CB 3.31Å; I2466-S2476 WeakPolarHBondContact O-CB 3.5Å; I2466-S2476 PolarHBondContact O-OG 3Å; I2466-S2476 VanDerWaalsContact O-OG 3.13Å; H2472-S2476 PolarHBondContact ND1-OG 3.03Å; H2472-S2476 VanDerWaalsContact ND1-OG 3.11Å; V2473-S2476 WeakPolarHBondContact O-CB 3.23Å; V2473-S2476 PolarHBondContact O-N 2.76Å |
| 2477 | P | 86.6 | Confident | 83.8 | Confident | 64 Ų | 64 | 52.5 Ų | 52.5 | 42% | 0.416 | 30% | 0.296 | S | S | . | . | S | Bend | cis | -71.5 | 128.1 | -3.4 | 29.7 | -34.7 | 0 | 0 | 0 | 112.6 | L2463 I2464 M2465 G2475 | L2463-P2477 HydrophobicContact CD2-CB 4.16Å; L2463-P2477 HydrophobicContact CD2-CG 4.46Å; I2464-P2477 CarbonylContact O-C 3.39Å; I2464-P2477 WeakPolarHBondContact O-CA 3.27Å; M2465-P2477 HydrophobicContact CG-CB 4.1Å; G2475-P2477 CarbonylContact O-C 3.5Å; G2475-P2477 VanDerWaalsContact O-C 3.31Å |
| 2478 | F | 86.6 | Confident | 83.5 | Confident | 35 Ų | 35 | 51.8 Ų | 51.8 | 15% | 0.154 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 140.9 | 173.8 | -61.9 | -94.9 | 0 | 0 | 0 | 108.3 | C2398 L2403 L2463 I2464 I2466 V2473 P2474 G2475 | C2398-F2478 HydrophobicContact CB-CE1 4.5Å; C2398-F2478 HydrophobicContact CB-CE2 4.16Å; C2398-F2478 HydrophobicContact CB-CZ 3.72Å; L2403-F2478 HydrophobicContact CD2-CB 4.25Å; L2403-F2478 HydrophobicContact CD2-CD1 4.36Å; L2403-F2478 HydrophobicContact CD2-CD2 4.06Å; L2403-F2478 HydrophobicContact CD2-CG 3.97Å; L2463-F2478 WeakPolarHBondContact CA-O 3.5Å; I2464-F2478 HydrophobicContact CB-CB 4.31Å; I2464-F2478 PolarHBondContact N-O 2.88Å; I2464-F2478 PolarHBondContact O-N 2.95Å; I2466-F2478 HydrophobicContact CD1-CD2 3.98Å; I2466-F2478 HydrophobicContact CD1-CE2 3.76Å; I2466-F2478 HydrophobicContact CG1-CD2 4.41Å; I2466-F2478 HydrophobicContact CG1-CE2 4.36Å; V2473-F2478 HydrophobicContact CG2-CE2 4.29Å; P2474-F2478 VanDerWaalsContact O-CZ 3.3Å; P2474-F2478 WeakPolarHBondContact O-CZ 3.47Å; G2475-F2478 WeakPolarHBondContact O-CD1 3.26Å; G2475-F2478 WeakPolarHBondContact O-CG 3.05Å; G2475-F2478 PolarHBondContact O-N 2.6Å |
| 2479 | T | 86.7 | Confident | 83.1 | Confident | 61 Ų | 61 | 54.9 Ų | 54.9 | 37% | 0.374 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 127.3 | 175.5 | -50.1 | 0 | 0 | 0 | 0 | 108.6 | R2461 H2462 L2463 | R2461-T2479 HydrophobicContact CG-CG2 3.47Å; R2461-T2479 VanDerWaalsContact CG-CG2 3.47Å; H2462-T2479 WeakPolarHBondContact O-CA 3.16Å; L2463-T2479 HydrophobicContact CD2-CG2 4.42Å; L2463-T2479 WeakPolarHBondContact CD2-OG1 3.13Å |
| 2480 | V | 85.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 130.4 | -175.4 | 179.2 | 0 | 0 | 0 | 0 | 109 | A2406 H2462 I2464 | A2406-V2480 HydrophobicContact CB-CG1 3.65Å; H2462-V2480 PolarHBondContact N-O 2.91Å; H2462-V2480 PolarHBondContact O-N 2.87Å; I2464-V2480 HydrophobicContact CD1-CB 4.31Å; I2464-V2480 HydrophobicContact CD1-CG2 3.62Å; I2464-V2480 HydrophobicContact CG1-CG2 4.36Å |
| 2481 | D | 81.1 | Confident | 83 | Confident | 80 Ų | 80 | 52.5 Ų | 52.5 | 43% | 0.428 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 124.4 | 174.1 | -66.6 | -64.3 | 0 | 0 | 0 | 109.7 | A2406 R2461 | A2406-D2481 PolarHBondContact N-O 3.33Å; R2461-D2481 WeakPolarHBondContact CA-OD1 3.42Å; R2461-D2481 VanDerWaalsContact CB-OD1 3.29Å; R2461-D2481 WeakPolarHBondContact CB-OD1 3.44Å; R2461-D2481 WeakPolarHBondContact CG-OD1 3.45Å; R2461-D2481 IonicContact NE-OD1 2.73Å |
| 2482 | V | 80 | Confident | 83.2 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 4% | 0.036 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 130.6 | -179.7 | -178.2 | 0 | 0 | 0 | 0 | 110.2 | A2406 L2408 V2456 D2458 G2460 H2462 | A2406-V2482 HydrophobicContact CB-CG2 4.02Å; A2406-V2482 CarbonylContact O-C 3.48Å; A2406-V2482 WeakPolarHBondContact O-CA 3.31Å; L2408-V2482 HydrophobicContact CB-CG1 4.2Å; V2456-V2482 HydrophobicContact CG2-CB 4.47Å; V2456-V2482 HydrophobicContact CG2-CG1 3.69Å; V2456-V2482 HydrophobicContact CG2-CG2 3.85Å; D2458-V2482 WeakPolarHBondContact O-CG1 3.44Å; G2460-V2482 PolarHBondContact N-O 2.86Å; G2460-V2482 WeakPolarHBondContact O-CB 3.27Å; G2460-V2482 PolarHBondContact O-N 3.25Å; H2462-V2482 HydrophobicContact CB-CG2 4.08Å; H2462-V2482 WeakPolarHBondContact ND1-CG2 3.11Å |
| 2483 | I | 69.3 | Low | 83 | Confident | 82 Ų | 82 | 43.1 Ų | 43.1 | 42% | 0.421 | 27% | 0.271 | S | S | . | . | trans | -123.2 | 0 | -170.3 | -42.2 | -177.3 | 0 | 0 | 0 | 110.8 | Q2405 A2406 Y2407 L2408 R2459 | Q2405-I2483 HydrophobicContact CG-CD1 3.78Å; A2406-I2483 PolarHBondContact O-N 2.88Å; Y2407-I2483 VanDerWaalsContact CA-O 3.31Å; Y2407-I2483 WeakPolarHBondContact CA-O 3.39Å; Y2407-I2483 HydrophobicContact CD1-CB 4.15Å; Y2407-I2483 HydrophobicContact CE1-CB 4.2Å; Y2407-I2483 HydrophobicContact CE1-CD1 4.48Å; L2408-I2483 PolarHBondContact N-O 3.29Å; R2459-I2483 PolarHBondContact NE-OXT 3.02Å; R2459-I2483 PolarHBondContact NH2-OXT 2.67Å |
Retrieved 2,483 of 2,483 residues in 5524.7 ms
(Link to these results)