| 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 | 48 | Very low | 47.4 | Very low | 233 Ų | 233 | 150.2 Ų | 150.2 | 100% | 1.148 | 84% | 0.84 | S | S | * | * | 0 | 113.2 | 0 | -68.7 | -71 | 169.4 | 0 | 0 | 105.5 | |||||
| 2 | P | 51.2 | Low | 46.9 | Very low | 128 Ų | 128 | 147 Ų | 147 | 83% | 0.831 | 84% | 0.836 | S | S | * | * | -120 | 147.8 | 52.7 | 16.4 | 6.9 | 0 | 0 | 0 | 112.6 | |||||
| 3 | A | 44.8 | Very low | 47.6 | Very low | 92 Ų | 92 | 145 Ų | 145 | 76% | 0.76 | 83% | 0.832 | S | S | * | * | 94.4 | 108.8 | 63.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 4 | D | 44.5 | Very low | 47.2 | Very low | 136 Ų | 136 | 145.1 Ų | 145.1 | 73% | 0.727 | 84% | 0.836 | S | S | * | * | trans | 178.1 | 111.5 | 149.6 | -127.9 | -118.9 | 0 | 0 | 0 | 105.2 | ||||
| 5 | M | 49.4 | Very low | 47.1 | Very low | 166 Ų | 166 | 141.7 Ų | 141.7 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | 42.5 | 126.3 | 68 | -53.4 | -172 | 72.1 | 0 | 0 | 109.7 | |||||
| 6 | M | 53.9 | Low | 46.9 | Very low | 166 Ų | 166 | 139.4 Ų | 139.4 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | -168.5 | 159.6 | 56.8 | -35.9 | -169.5 | -175.2 | 0 | 0 | 110.1 | |||||
| 7 | E | 49.7 | Very low | 46.6 | Very low | 180 Ų | 180 | 139.2 Ų | 139.2 | 84% | 0.841 | 83% | 0.834 | S | S | * | * | trans | -48 | 150.7 | 174.2 | -71 | 163.4 | 58.6 | 0 | 0 | 116.9 | ||||
| 8 | K | 48 | Very low | 46.8 | Very low | 209 Ų | 209 | 138.1 Ų | 138.1 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | trans | -149.1 | 117.1 | 134 | -157.7 | 136.9 | 176.1 | 176.4 | 0 | 113 | ||||
| 9 | S | 47.6 | Very low | 46.5 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 69% | 0.685 | 83% | 0.828 | S | S | * | * | trans | -66.7 | 147.5 | 169.9 | 29.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 10 | S | 42.2 | Very low | 46.2 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | trans | -163.4 | 127 | 138.8 | -140.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 11 | S | 42.7 | Very low | 46.3 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -84.4 | 154.9 | 175.8 | -63.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 12 | S | 41.2 | Very low | 45.8 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | trans | -35.3 | 165.3 | 161.8 | -62.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 13 | P | 55.2 | Low | 45.6 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | cis | -153.9 | 176.3 | 44.4 | 39.8 | -16.4 | 0 | 0 | 0 | 117.6 | ||||
| 14 | V | 42.5 | Very low | 45.8 | Very low | 147 Ų | 147 | 132.5 Ų | 132.5 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | 172.8 | 136.6 | 120.9 | 71.3 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 15 | A | 46.2 | Very low | 45.9 | Very low | 94 Ų | 94 | 132.1 Ų | 132.1 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | trans | -78.1 | 143.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 16 | A | 42.7 | Very low | 45.8 | Very low | 104 Ų | 104 | 130.9 Ų | 130.9 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -158.1 | 103.4 | 150 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 17 | T | 42.5 | Very low | 45.7 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -110.6 | 149.1 | 149.6 | -1 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 18 | P | 50.7 | Low | 45.7 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | -151.4 | 170.8 | 60.2 | 36.6 | -14.6 | 0 | 0 | 0 | 118 | |||||
| 19 | A | 41.4 | Very low | 45.9 | Very low | 96 Ų | 96 | 127.2 Ų | 127.2 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | trans | 66.9 | 150.1 | 148.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 20 | S | 40.8 | Very low | 46 | Very low | 104 Ų | 104 | 126 Ų | 126 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | cis | 179.1 | 158.7 | -14.3 | -178.2 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 21 | M | 47.1 | Very low | 46.6 | Very low | 178 Ų | 178 | 123.3 Ų | 123.3 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | trans | 72.3 | 130.2 | 171.1 | 88.1 | -149.6 | 166.2 | 0 | 0 | 117.1 | ||||
| 22 | N | 37.5 | Very low | 47.1 | Very low | 139 Ų | 139 | 120 Ų | 120 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | cis | -162.5 | 136.7 | 33.7 | -162.5 | 22.6 | 0 | 0 | 0 | 112.5 | ||||
| 23 | T | 48.1 | Very low | 47.7 | Very low | 104 Ų | 104 | 120.7 Ų | 120.7 | 64% | 0.638 | 73% | 0.728 | S | S | * | * | trans | 24 | 131 | 146.8 | 56.9 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 24 | T | 47.6 | Very low | 47.6 | Very low | 130 Ų | 130 | 122.2 Ų | 122.2 | 80% | 0.798 | 73% | 0.725 | S | S | * | * | trans | 77.8 | 131.2 | 151.7 | 61.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 25 | P | 46.1 | Very low | 48.3 | Very low | 127 Ų | 127 | 124.7 Ų | 124.7 | 83% | 0.825 | 72% | 0.718 | S | S | * | * | -130.1 | 137.3 | 87.1 | 34.6 | -23 | 0 | 0 | 0 | 114.7 | K27 | P25-K27 PolarHBondContact O-N 2.82Š| |||
| 26 | D | 49.3 | Very low | 48.8 | Very low | 141 Ų | 141 | 127.4 Ų | 127.4 | 75% | 0.754 | 71% | 0.712 | S | S | * | * | trans | -43.8 | 116.9 | 162.5 | -157 | -88.8 | 0 | 0 | 0 | 111.9 | P28 | D26-P28 WeakPolarHBondContact OD1-CD 3.11Š| ||
| 27 | K | 50.8 | Low | 49.6 | Very low | 192 Ų | 192 | 125.3 Ų | 125.3 | 84% | 0.835 | 69% | 0.692 | S | S | * | * | trans | -137.9 | 97.7 | 160.2 | -156 | 84.2 | 154.9 | -166.5 | 0 | 107.5 | P25 K29 | P25-K27 PolarHBondContact O-N 2.82Å; K27-K29 PolarHBondContact O-N 3.28Å; K27-K29 VanDerWaalsContact O-N 3.1Å | ||
| 28 | P | 48.9 | Very low | 50.7 | Low | 89 Ų | 89 | 121.6 Ų | 121.6 | 58% | 0.578 | 67% | 0.671 | S | S | * | * | trans | -65.7 | 117.2 | 177.4 | 25 | -29.3 | 0 | 0 | 0 | 107.5 | D26 T30 | D26-P28 WeakPolarHBondContact OD1-CD 3.11Å; P28-T30 VanDerWaalsContact C-N 3.31Å; P28-T30 PolarHBondContact O-N 2.87Å | ||
| 29 | K | 53.8 | Low | 52.1 | Low | 197 Ų | 197 | 124.1 Ų | 124.1 | 86% | 0.857 | 67% | 0.67 | S | S | * | * | trans | -54.4 | 105.6 | 160.1 | -75.1 | -176.7 | 178.5 | 177.7 | 0 | 105.8 | K27 A31 | K27-K29 PolarHBondContact O-N 3.28Å; K27-K29 VanDerWaalsContact O-N 3.1Å; K29-A31 PolarHBondContact O-N 3.41Å | ||
| 30 | T | 49.9 | Very low | 54.2 | Low | 71 Ų | 71 | 123.4 Ų | 123.4 | 44% | 0.436 | 66% | 0.657 | S | S | . | * | trans | -54.8 | 133.9 | -159.8 | 65.8 | 0 | 0 | 0 | 0 | 110.6 | P28 S32 E33 | P28-T30 VanDerWaalsContact C-N 3.31Å; P28-T30 PolarHBondContact O-N 2.87Å; T30-S32 PolarHBondContact O-N 3.09Å; T30-S32 PolarHBondContact OG1-OG 3.47Å; T30-E33 PolarHBondContact O-N 3.37Å | ||
| 31 | A | 54.1 | Low | 56.4 | Low | 72 Ų | 72 | 122.5 Ų | 122.5 | 60% | 0.595 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -51.5 | -16.9 | 169 | 0 | 0 | 0 | 0 | 0 | 112.7 | K29 R35 | K29-A31 PolarHBondContact O-N 3.41Å; A31-R35 WeakPolarHBondContact O-CG 3.32Å; A31-R35 PolarHBondContact O-N 2.98Å |
| 32 | S | 53.8 | Low | 58.5 | Low | 48 Ų | 48 | 119.2 Ų | 119.2 | 34% | 0.336 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64.5 | -38 | 172.3 | 95.7 | 0 | 0 | 0 | 0 | 113.6 | T30 R35 K36 | T30-S32 PolarHBondContact O-N 3.09Å; T30-S32 PolarHBondContact OG1-OG 3.47Å; S32-R35 PolarHBondContact O-N 3.1Å; S32-K36 WeakPolarHBondContact O-CB 3.35Å; S32-K36 WeakPolarHBondContact O-CD 3.35Å; S32-K36 WeakPolarHBondContact O-CG 3.43Å; S32-K36 PolarHBondContact O-N 3.37Å; S32-K36 PolarHBondContact OG-NZ 2.96Å |
| 33 | E | 52.4 | Low | 61.2 | Low | 125 Ų | 125 | 114.7 Ų | 114.7 | 58% | 0.584 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -74.6 | -35 | -177.3 | -158.8 | 177.1 | 172.6 | 0 | 0 | 111.6 | T30 K36 S37 | T30-E33 PolarHBondContact O-N 3.37Å; E33-K36 PolarHBondContact O-N 3.39Å; E33-S37 WeakPolarHBondContact O-CB 3.39Å; E33-S37 PolarHBondContact O-N 3.39Å; E33-S37 PolarHBondContact O-OG 3.48Å |
| 34 | H | 53.3 | Low | 63.3 | Low | 153 Ų | 153 | 117.5 Ų | 117.5 | 71% | 0.708 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.2 | -36.6 | 173 | -147.7 | 80.3 | 0 | 0 | 0 | 111.9 | S37 S38 | H34-S37 PolarHBondContact O-OG 3.49Å; H34-S38 WeakPolarHBondContact O-CB 3.36Å; H34-S38 PolarHBondContact O-N 3.04Å |
| 35 | R | 56.9 | Low | 65.6 | Low | 200 Ų | 200 | 119.1 Ų | 119.1 | 76% | 0.755 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -72.1 | -32.3 | 173.2 | -73.2 | -179.7 | -178.7 | -179 | 1.6 | 113.1 | A31 S32 | A31-R35 WeakPolarHBondContact O-CG 3.32Å; A31-R35 PolarHBondContact O-N 2.98Å; S32-R35 PolarHBondContact O-N 3.1Å |
| 36 | K | 56.9 | Low | 68 | Low | 150 Ų | 150 | 118.2 Ų | 118.2 | 65% | 0.652 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -73.8 | -33.5 | 176.7 | -70.7 | 159.1 | -173.8 | 171.9 | 0 | 112.5 | S32 E33 P40 | S32-K36 WeakPolarHBondContact O-CB 3.35Å; S32-K36 WeakPolarHBondContact O-CD 3.35Å; S32-K36 WeakPolarHBondContact O-CG 3.43Å; S32-K36 PolarHBondContact O-N 3.37Å; S32-K36 PolarHBondContact OG-NZ 2.96Å; E33-K36 PolarHBondContact O-N 3.39Å; K36-P40 VanDerWaalsContact O-CD 3.32Å; K36-P40 WeakPolarHBondContact O-CD 3.29Å |
| 37 | S | 59.8 | Low | 70.3 | Confident | 61 Ų | 61 | 116.7 Ų | 116.7 | 43% | 0.427 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -91.3 | -17.1 | 179.1 | 54.9 | 0 | 0 | 0 | 0 | 114.8 | E33 H34 P40 I41 | E33-S37 WeakPolarHBondContact O-CB 3.39Å; E33-S37 PolarHBondContact O-N 3.39Å; E33-S37 PolarHBondContact O-OG 3.48Å; H34-S37 PolarHBondContact O-OG 3.49Å; S37-P40 VanDerWaalsContact O-CD 3.24Å; S37-P40 WeakPolarHBondContact O-CD 3.36Å; S37-P40 VanDerWaalsContact O-CG 3.24Å; S37-P40 WeakPolarHBondContact O-CG 3.19Å; S37-I41 WeakPolarHBondContact O-CG2 3.25Å; S37-I41 PolarHBondContact O-N 2.93Å |
| 38 | S | 65.7 | Low | 72.5 | Confident | 57 Ų | 57 | 110.3 Ų | 110.3 | 40% | 0.399 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.3 | -37.9 | 178.2 | -179.9 | 0 | 0 | 0 | 0 | 113.7 | H34 I41 M42 | H34-S38 WeakPolarHBondContact O-CB 3.36Å; H34-S38 PolarHBondContact O-N 3.04Å; S38-I41 WeakPolarHBondContact O-CG2 3.49Å; S38-M42 WeakPolarHBondContact O-CB 3.34Å; S38-M42 WeakPolarHBondContact O-CG 3.49Å; S38-M42 PolarHBondContact O-N 3.42Å; S38-M42 VanDerWaalsContact O-N 3.1Å |
| 39 | K | 80.3 | Confident | 74.8 | Confident | 173 Ų | 173 | 114.9 Ų | 114.9 | 75% | 0.752 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.3 | -49.9 | 176.5 | -66.2 | -176.5 | 178.8 | -177.5 | 0 | 113.1 | I41 M42 E43 | K39-I41 PolarHBondContact O-N 2.92Å; K39-M42 PolarHBondContact O-N 3.05Å; K39-E43 PolarHBondContact O-N 3.13Å |
| 40 | P | 85.8 | Confident | 76.9 | Confident | 80 Ų | 80 | 108.3 Ų | 108.3 | 52% | 0.519 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.4 | -32.9 | 179.2 | 21.5 | -31.2 | 0 | 0 | 0 | 113.6 | K36 S37 K44 | K36-P40 VanDerWaalsContact O-CD 3.32Å; K36-P40 WeakPolarHBondContact O-CD 3.29Å; S37-P40 VanDerWaalsContact O-CD 3.24Å; S37-P40 WeakPolarHBondContact O-CD 3.36Å; S37-P40 VanDerWaalsContact O-CG 3.24Å; S37-P40 WeakPolarHBondContact O-CG 3.19Å; P40-K44 WeakPolarHBondContact O-CB 3.33Å; P40-K44 PolarHBondContact O-N 2.89Å |
| 41 | I | 86.4 | Confident | 79.1 | Confident | 86 Ų | 86 | 108.8 Ų | 108.8 | 44% | 0.441 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69 | -38.2 | 175.2 | -170.8 | 168.3 | 0 | 0 | 0 | 112.2 | S37 S38 K39 K44 R45 | S37-I41 WeakPolarHBondContact O-CG2 3.25Å; S37-I41 PolarHBondContact O-N 2.93Å; S38-I41 WeakPolarHBondContact O-CG2 3.49Å; K39-I41 PolarHBondContact O-N 2.92Å; I41-K44 PolarHBondContact O-N 3.49Å; I41-R45 WeakPolarHBondContact O-CG 3.38Å; I41-R45 PolarHBondContact O-N 3.15Å |
| 42 | M | 91 | Very high | 81.2 | Confident | 109 Ų | 109 | 111.3 Ų | 111.3 | 54% | 0.537 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 176.3 | -71.8 | -60.1 | -66.9 | 0 | 0 | 111.7 | S38 K39 R45 R46 | S38-M42 WeakPolarHBondContact O-CB 3.34Å; S38-M42 WeakPolarHBondContact O-CG 3.49Å; S38-M42 PolarHBondContact O-N 3.42Å; S38-M42 VanDerWaalsContact O-N 3.1Å; K39-M42 PolarHBondContact O-N 3.05Å; M42-R45 PolarHBondContact O-N 2.92Å; M42-R46 PolarHBondContact O-N 3.02Å |
| 43 | E | 93.5 | Very high | 83.2 | Confident | 44 Ų | 44 | 112 Ų | 112 | 21% | 0.206 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -66.6 | -38.5 | 175.9 | 177.5 | 54.5 | -164.9 | 0 | 0 | 111.8 | K39 R45 R46 R47 W277 | K39-E43 PolarHBondContact O-N 3.13Å; E43-R45 VanDerWaalsContact C-N 3.33Å; E43-R45 PolarHBondContact O-N 2.9Å; E43-R46 PolarHBondContact O-N 2.95Å; E43-R46 IonicContact OE1-NH1 3.69Å; E43-R46 PolarHBondContact OE1-NH1 2.97Å; E43-R46 IonicContact OE2-CZ 2.71Å; E43-R46 IonicContact OE2-NH1 3.66Å; E43-R46 PolarHBondContact OE2-NH1 3.4Å; E43-R47 HydrophobicContact CG-CG 4.45Å; E43-R47 WeakPolarHBondContact O-CB 3.42Å; E43-R47 WeakPolarHBondContact O-CG 3.5Å; E43-R47 PolarHBondContact O-N 2.95Å; E43-R47 VanDerWaalsContact OE1-CG 3.31Å; E43-R47 WeakPolarHBondContact OE1-CG 3.41Å; E43-R47 IonicContact OE1-CZ 2.86Å; E43-R47 IonicContact OE1-NE 3.57Å; E43-R47 PolarHBondContact OE1-NE 3.46Å; E43-R47 IonicContact OE1-NH2 3.31Å; E43-W277 VanDerWaalsContact OE1-CH2 3.24Å; E43-W277 WeakPolarHBondContact OE1-CH2 3.46Å; E43-W277 WeakPolarHBondContact OE1-CZ2 3.48Å; E43-W277 WeakPolarHBondContact OE1-CZ3 3.43Å |
| 44 | K | 94.2 | Very high | 85.3 | Confident | 162 Ų | 162 | 107 Ų | 107 | 70% | 0.704 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.5 | -44.1 | 172.3 | -173.2 | 176 | -178.7 | 178.2 | 0 | 111.7 | P40 I41 R47 A48 | P40-K44 WeakPolarHBondContact O-CB 3.33Å; P40-K44 PolarHBondContact O-N 2.89Å; I41-K44 PolarHBondContact O-N 3.49Å; K44-R47 PolarHBondContact O-N 3.45Å; K44-A48 PolarHBondContact O-N 2.73Å |
| 45 | R | 94.6 | Very high | 87.3 | Confident | 165 Ų | 165 | 101.4 Ų | 101.4 | 62% | 0.623 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.8 | -42.5 | 175.1 | -73.4 | 179 | 177.6 | -174.2 | -1.1 | 112 | I41 M42 E43 A48 R49 | I41-R45 WeakPolarHBondContact O-CG 3.38Å; I41-R45 PolarHBondContact O-N 3.15Å; M42-R45 PolarHBondContact O-N 2.92Å; E43-R45 VanDerWaalsContact C-N 3.33Å; E43-R45 PolarHBondContact O-N 2.9Å; R45-A48 PolarHBondContact O-N 3.1Å; R45-R49 WeakPolarHBondContact O-CG 3.46Å; R45-R49 PolarHBondContact O-N 3.25Å; R45-R49 VanDerWaalsContact O-N 3.09Å |
| 46 | R | 97.4 | Very high | 89.2 | Confident | 108 Ų | 108 | 97.5 Ų | 97.5 | 41% | 0.408 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 176.4 | -179.2 | 174.5 | 159.7 | -78.6 | -4.6 | 111.6 | M42 E43 A48 R49 I50 | M42-R46 PolarHBondContact O-N 3.02Å; E43-R46 PolarHBondContact O-N 2.95Å; E43-R46 IonicContact OE1-NH1 3.69Å; E43-R46 PolarHBondContact OE1-NH1 2.97Å; E43-R46 IonicContact OE2-CZ 2.71Å; E43-R46 IonicContact OE2-NH1 3.66Å; E43-R46 PolarHBondContact OE2-NH1 3.4Å; R46-A48 VanDerWaalsContact C-N 3.34Å; R46-A48 PolarHBondContact O-N 3.11Å; R46-R49 PolarHBondContact O-N 3.27Å; R46-I50 HydrophobicContact CG-CD1 4.02Å; R46-I50 WeakPolarHBondContact O-CG1 3.44Å; R46-I50 PolarHBondContact O-N 2.89Å |
| 47 | R | 97.2 | Very high | 91.1 | Very high | 109 Ų | 109 | 92.7 Ų | 92.7 | 41% | 0.411 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.8 | -40.6 | 176.4 | -71.7 | 178.4 | -177.8 | -166.3 | -2.7 | 112.4 | E43 K44 I50 N51 | E43-R47 HydrophobicContact CG-CG 4.45Å; E43-R47 WeakPolarHBondContact O-CB 3.42Å; E43-R47 WeakPolarHBondContact O-CG 3.5Å; E43-R47 PolarHBondContact O-N 2.95Å; E43-R47 VanDerWaalsContact OE1-CG 3.31Å; E43-R47 WeakPolarHBondContact OE1-CG 3.41Å; E43-R47 IonicContact OE1-CZ 2.86Å; E43-R47 IonicContact OE1-NE 3.57Å; E43-R47 PolarHBondContact OE1-NE 3.46Å; E43-R47 IonicContact OE1-NH2 3.31Å; K44-R47 PolarHBondContact O-N 3.45Å; R47-I50 PolarHBondContact O-N 3.23Å; R47-N51 PolarHBondContact O-N 3.23Å; R47-N51 PolarHBondContact O-ND2 3.49Å |
| 48 | A | 97.1 | Very high | 92.8 | Very high | 58 Ų | 58 | 91.7 Ų | 91.7 | 48% | 0.479 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.8 | -48.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K44 R45 R46 I50 N51 E52 | K44-A48 PolarHBondContact O-N 2.73Å; R45-A48 PolarHBondContact O-N 3.1Å; R46-A48 VanDerWaalsContact C-N 3.34Å; R46-A48 PolarHBondContact O-N 3.11Å; A48-I50 VanDerWaalsContact C-N 3.35Å; A48-I50 PolarHBondContact O-N 2.83Å; A48-N51 PolarHBondContact O-N 3.02Å; A48-E52 WeakPolarHBondContact O-CB 3.5Å; A48-E52 PolarHBondContact O-N 3.44Å |
| 49 | R | 97.9 | Very high | 94.2 | Very high | 184 Ų | 184 | 92.7 Ų | 92.7 | 69% | 0.694 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -59.8 | -41.2 | 176.7 | -70.3 | -178.5 | 64.2 | -131.7 | -4.2 | 113.2 | R45 R46 E52 S53 | R45-R49 WeakPolarHBondContact O-CG 3.46Å; R45-R49 PolarHBondContact O-N 3.25Å; R45-R49 VanDerWaalsContact O-N 3.09Å; R46-R49 PolarHBondContact O-N 3.27Å; R49-E52 PolarHBondContact O-N 2.95Å; R49-S53 PolarHBondContact O-N 3.37Å; R49-S53 PolarHBondContact O-OG 2.94Å |
| 50 | I | 96.8 | Very high | 94.9 | Very high | 60 Ų | 60 | 89.9 Ų | 89.9 | 31% | 0.308 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 177.8 | -69.5 | 167.7 | 0 | 0 | 0 | 111.3 | R46 R47 A48 S53 L54 | R46-I50 HydrophobicContact CG-CD1 4.02Å; R46-I50 WeakPolarHBondContact O-CG1 3.44Å; R46-I50 PolarHBondContact O-N 2.89Å; R47-I50 PolarHBondContact O-N 3.23Å; A48-I50 VanDerWaalsContact C-N 3.35Å; A48-I50 PolarHBondContact O-N 2.83Å; I50-S53 PolarHBondContact O-OG 3.47Å; I50-S53 VanDerWaalsContact O-OG 3.08Å; I50-L54 HydrophobicContact CG2-CD1 4.23Å; I50-L54 WeakPolarHBondContact O-CB 3.28Å; I50-L54 PolarHBondContact O-N 3.42Å |
| 51 | N | 96.6 | Very high | 95.4 | Very high | 80 Ų | 80 | 86.6 Ų | 86.6 | 43% | 0.428 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -70.9 | -36.4 | 179.4 | -70.4 | -23.1 | 0 | 0 | 0 | 111.7 | R47 A48 L54 G55 K77 | R47-N51 PolarHBondContact O-N 3.23Å; R47-N51 PolarHBondContact O-ND2 3.49Å; A48-N51 PolarHBondContact O-N 3.02Å; N51-L54 PolarHBondContact O-N 3.25Å; N51-G55 PolarHBondContact O-N 2.93Å; N51-K77 PolarHBondContact OD1-NZ 2.88Å |
| 52 | E | 97.4 | Very high | 95.8 | Very high | 125 Ų | 125 | 82.7 Ų | 82.7 | 58% | 0.584 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.4 | -50.1 | 173.5 | 179.1 | 174.8 | -124.6 | 0 | 0 | 111.3 | A48 R49 L54 G55 Q56 | A48-E52 WeakPolarHBondContact O-CB 3.5Å; A48-E52 PolarHBondContact O-N 3.44Å; R49-E52 PolarHBondContact O-N 2.95Å; E52-L54 VanDerWaalsContact C-N 3.34Å; E52-L54 PolarHBondContact O-N 3.46Å; E52-G55 PolarHBondContact O-N 3.43Å; E52-G55 VanDerWaalsContact O-N 3.12Å; E52-Q56 WeakPolarHBondContact O-CG 3.45Å; E52-Q56 PolarHBondContact O-N 2.86Å |
| 53 | S | 97.1 | Very high | 95.9 | Very high | 62 Ų | 62 | 82.6 Ų | 82.6 | 43% | 0.434 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.5 | -36 | 179 | 65.6 | 0 | 0 | 0 | 0 | 112.7 | R49 I50 G55 Q56 L57 | R49-S53 PolarHBondContact O-N 3.37Å; R49-S53 PolarHBondContact O-OG 2.94Å; I50-S53 PolarHBondContact O-OG 3.47Å; I50-S53 VanDerWaalsContact O-OG 3.08Å; S53-G55 VanDerWaalsContact C-N 3.33Å; S53-Q56 PolarHBondContact O-N 2.76Å; S53-L57 VanDerWaalsContact O-CB 3.26Å; S53-L57 WeakPolarHBondContact O-CB 3.41Å; S53-L57 PolarHBondContact O-N 2.71Å |
| 54 | L | 96.2 | Very high | 95.8 | Very high | 22 Ų | 22 | 83.1 Ų | 83.1 | 12% | 0.115 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.2 | -38.5 | 171.7 | -91.3 | 169.8 | 0 | 0 | 0 | 112.4 | I50 N51 E52 L57 K58 K77 I80 L81 | I50-L54 HydrophobicContact CG2-CD1 4.23Å; I50-L54 WeakPolarHBondContact O-CB 3.28Å; I50-L54 PolarHBondContact O-N 3.42Å; N51-L54 PolarHBondContact O-N 3.25Å; E52-L54 VanDerWaalsContact C-N 3.34Å; E52-L54 PolarHBondContact O-N 3.46Å; L54-L57 PolarHBondContact O-N 2.86Å; L54-K58 WeakPolarHBondContact O-CB 3.37Å; L54-K58 PolarHBondContact O-N 3.2Å; L54-K77 HydrophobicContact CD1-CB 4.5Å; L54-K77 HydrophobicContact CD1-CD 3.95Å; L54-K77 HydrophobicContact CD1-CG 4.07Å; L54-I80 HydrophobicContact CD2-CB 4.35Å; L54-I80 HydrophobicContact CD2-CG2 3.94Å; L54-L81 HydrophobicContact CD2-CD2 4.09Å; L54-L81 HydrophobicContact CD2-CG 4.35Å |
| 55 | G | 95.3 | Very high | 95.6 | Very high | 35 Ų | 35 | 79.1 Ų | 79.1 | 36% | 0.361 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.8 | -46.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N51 E52 S53 K58 T59 | N51-G55 PolarHBondContact O-N 2.93Å; E52-G55 PolarHBondContact O-N 3.43Å; E52-G55 VanDerWaalsContact O-N 3.12Å; S53-G55 VanDerWaalsContact C-N 3.33Å; G55-K58 WeakPolarHBondContact O-CB 3.35Å; G55-K58 PolarHBondContact O-N 3.04Å; G55-T59 PolarHBondContact O-N 3.07Å; G55-T59 PolarHBondContact O-OG1 3.01Å |
| 56 | Q | 96.2 | Very high | 95.4 | Very high | 117 Ų | 117 | 80.5 Ų | 80.5 | 55% | 0.547 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 174.9 | -69.8 | 175.3 | -19.4 | 0 | 0 | 111.7 | E52 S53 K58 T59 L60 | E52-Q56 WeakPolarHBondContact O-CG 3.45Å; E52-Q56 PolarHBondContact O-N 2.86Å; S53-Q56 PolarHBondContact O-N 2.76Å; Q56-K58 VanDerWaalsContact C-N 3.33Å; Q56-K58 PolarHBondContact O-N 3.44Å; Q56-T59 PolarHBondContact O-N 3.43Å; Q56-L60 WeakPolarHBondContact O-CG 3.44Å; Q56-L60 PolarHBondContact O-N 3.31Å |
| 57 | L | 96.8 | Very high | 94.9 | Very high | 50 Ų | 50 | 79.8 Ų | 79.8 | 26% | 0.262 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 179.5 | -176.5 | 60.8 | 0 | 0 | 0 | 111.7 | S53 L54 T59 L60 I61 I80 L81 T84 | S53-L57 VanDerWaalsContact O-CB 3.26Å; S53-L57 WeakPolarHBondContact O-CB 3.41Å; S53-L57 PolarHBondContact O-N 2.71Å; L54-L57 PolarHBondContact O-N 2.86Å; L57-T59 PolarHBondContact O-N 3.2Å; L57-L60 PolarHBondContact O-N 2.96Å; L57-I61 HydrophobicContact CD1-CG1 4.04Å; L57-I61 HydrophobicContact CG-CG1 4.38Å; L57-I61 WeakPolarHBondContact O-CB 3.35Å; L57-I61 VanDerWaalsContact O-CG1 3.22Å; L57-I61 WeakPolarHBondContact O-CG1 3.46Å; L57-I61 PolarHBondContact O-N 3.37Å; L57-I80 HydrophobicContact CB-CG2 4.49Å; L57-I80 HydrophobicContact CD2-CG2 4.25Å; L57-I80 HydrophobicContact CG-CG2 4.26Å; L57-L81 HydrophobicContact CD2-CD2 4.49Å; L57-T84 HydrophobicContact CD1-CG2 3.76Å; L57-T84 HydrophobicContact CD2-CG2 4.04Å; L57-T84 WeakPolarHBondContact CD2-OG1 3.34Å; L57-T84 HydrophobicContact CG-CG2 4.25Å; L57-T84 WeakPolarHBondContact CG-OG1 3.48Å |
| 58 | K | 95.3 | Very high | 94.3 | Very high | 40 Ų | 40 | 79 Ų | 79 | 17% | 0.174 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -55.7 | -49.8 | 175 | 175.8 | -177.5 | 175.1 | 175.2 | 0 | 111.7 | L54 G55 Q56 I61 L62 H72 S73 L75 I80 | L54-K58 WeakPolarHBondContact O-CB 3.37Å; L54-K58 PolarHBondContact O-N 3.2Å; G55-K58 WeakPolarHBondContact O-CB 3.35Å; G55-K58 PolarHBondContact O-N 3.04Å; Q56-K58 VanDerWaalsContact C-N 3.33Å; Q56-K58 PolarHBondContact O-N 3.44Å; K58-I61 PolarHBondContact O-N 3.2Å; K58-L62 HydrophobicContact CG-CD1 3.86Å; K58-L62 WeakPolarHBondContact O-CB 3.45Å; K58-L62 VanDerWaalsContact O-CG 3.25Å; K58-L62 WeakPolarHBondContact O-CG 3.34Å; K58-L62 PolarHBondContact O-N 2.91Å; K58-H72 WeakPolarHBondContact CE-O 3.49Å; K58-H72 PolarHBondContact NZ-O 3.23Å; K58-S73 PolarHBondContact NZ-O 2.72Å; K58-L75 HydrophobicContact CD-CD1 4.49Å; K58-L75 HydrophobicContact CG-CD1 4.24Å; K58-I80 HydrophobicContact CB-CD1 4.05Å; K58-I80 HydrophobicContact CB-CG1 4.15Å; K58-I80 HydrophobicContact CB-CG2 4.14Å; K58-I80 HydrophobicContact CD-CD1 4.07Å; K58-I80 HydrophobicContact CD-CG1 4.41Å; K58-I80 HydrophobicContact CG-CD1 4.37Å; K58-I80 HydrophobicContact CG-CG1 4.32Å |
| 59 | T | 94.9 | Very high | 93.6 | Very high | 77 Ų | 77 | 80.1 Ų | 80.1 | 47% | 0.472 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.7 | -51.8 | 179.9 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | G55 Q56 L57 I61 L62 D63 | G55-T59 PolarHBondContact O-N 3.07Å; G55-T59 PolarHBondContact O-OG1 3.01Å; Q56-T59 PolarHBondContact O-N 3.43Å; L57-T59 PolarHBondContact O-N 3.2Å; T59-I61 VanDerWaalsContact C-N 3.28Å; T59-I61 PolarHBondContact O-N 3.25Å; T59-L62 PolarHBondContact O-N 2.98Å; T59-D63 WeakPolarHBondContact O-CB 3.36Å; T59-D63 VanDerWaalsContact O-CG 3.29Å; T59-D63 PolarHBondContact O-N 3.29Å |
| 60 | L | 95.8 | Very high | 92.8 | Very high | 114 Ų | 114 | 75.6 Ų | 75.6 | 60% | 0.597 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -57.2 | -41.3 | -179.5 | -70.6 | 173.1 | 0 | 0 | 0 | 112.6 | Q56 L57 A64 | Q56-L60 WeakPolarHBondContact O-CG 3.44Å; Q56-L60 PolarHBondContact O-N 3.31Å; L57-L60 PolarHBondContact O-N 2.96Å; L60-A64 WeakPolarHBondContact O-CB 3.41Å; L60-A64 PolarHBondContact O-N 3.42Å |
| 61 | I | 95.4 | Very high | 92.1 | Very high | 12 Ų | 12 | 81.5 Ų | 81.5 | 6% | 0.062 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -72 | -40.2 | -179.6 | -67.1 | -63.6 | 0 | 0 | 0 | 111.9 | L57 K58 T59 L65 M83 T84 H87 | L57-I61 HydrophobicContact CD1-CG1 4.04Å; L57-I61 HydrophobicContact CG-CG1 4.38Å; L57-I61 WeakPolarHBondContact O-CB 3.35Å; L57-I61 VanDerWaalsContact O-CG1 3.22Å; L57-I61 WeakPolarHBondContact O-CG1 3.46Å; L57-I61 PolarHBondContact O-N 3.37Å; K58-I61 PolarHBondContact O-N 3.2Å; T59-I61 VanDerWaalsContact C-N 3.28Å; T59-I61 PolarHBondContact O-N 3.25Å; I61-L65 HydrophobicContact CG2-CD1 3.76Å; I61-L65 HydrophobicContact CG2-CG 4.43Å; I61-L65 VanDerWaalsContact O-CB 3.31Å; I61-L65 WeakPolarHBondContact O-CB 3.28Å; I61-L65 VanDerWaalsContact O-CG 3.26Å; I61-L65 WeakPolarHBondContact O-CG 3.32Å; I61-L65 PolarHBondContact O-N 3.4Å; I61-M83 HydrophobicContact CG2-CB 4Å; I61-M83 HydrophobicContact CG2-CE 4.13Å; I61-T84 HydrophobicContact CD1-CG2 4.17Å; I61-T84 HydrophobicContact CG1-CG2 4.44Å; I61-H87 HydrophobicContact CD1-CB 3.95Å |
| 62 | L | 94.1 | Very high | 91.5 | Very high | 3 Ų | 3 | 78.7 Ų | 78.7 | 2% | 0.016 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 176.6 | -69.2 | 172.9 | 0 | 0 | 0 | 111.4 | K58 T59 L65 K66 K67 H72 L75 M83 | K58-L62 HydrophobicContact CG-CD1 3.86Å; K58-L62 WeakPolarHBondContact O-CB 3.45Å; K58-L62 VanDerWaalsContact O-CG 3.25Å; K58-L62 WeakPolarHBondContact O-CG 3.34Å; K58-L62 PolarHBondContact O-N 2.91Å; T59-L62 PolarHBondContact O-N 2.98Å; L62-L65 CarbonylContact O-C 3.55Å; L62-L65 PolarHBondContact O-N 3.48Å; L62-K66 PolarHBondContact O-N 3.03Å; L62-K67 HydrophobicContact CD2-CB 3.99Å; L62-K67 PolarHBondContact O-N 3.38Å; L62-H72 HydrophobicContact CD1-CB 3.62Å; L62-H72 HydrophobicContact CD2-CB 3.61Å; L62-H72 VanDerWaalsContact CD2-CG 3.48Å; L62-H72 HydrophobicContact CG-CB 4.29Å; L62-L75 HydrophobicContact CD2-CD1 4.39Å; L62-M83 HydrophobicContact CD2-CE 4.09Å |
| 63 | D | 93.2 | Very high | 90.8 | Very high | 107 Ų | 107 | 76.9 Ų | 76.9 | 57% | 0.572 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -63.6 | -48 | 176 | -69.8 | -12 | 0 | 0 | 0 | 111.1 | T59 L65 K66 | T59-D63 WeakPolarHBondContact O-CB 3.36Å; T59-D63 VanDerWaalsContact O-CG 3.29Å; T59-D63 PolarHBondContact O-N 3.29Å; D63-L65 VanDerWaalsContact C-N 3.27Å; D63-L65 PolarHBondContact O-N 2.94Å; D63-K66 PolarHBondContact O-N 2.94Å |
| 64 | A | 91.9 | Very high | 90.3 | Very high | 56 Ų | 56 | 83.1 Ų | 83.1 | 46% | 0.463 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.3 | -33.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L60 | L60-A64 WeakPolarHBondContact O-CB 3.41Å; L60-A64 PolarHBondContact O-N 3.42Å |
| 65 | L | 90.3 | Very high | 89.9 | Confident | 77 Ų | 77 | 83.7 Ų | 83.7 | 40% | 0.403 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 1.3 | 177.4 | -64.6 | 175.7 | 0 | 0 | 0 | 113.4 | I61 L62 D63 K67 M83 | I61-L65 HydrophobicContact CG2-CD1 3.76Å; I61-L65 HydrophobicContact CG2-CG 4.43Å; I61-L65 VanDerWaalsContact O-CB 3.31Å; I61-L65 WeakPolarHBondContact O-CB 3.28Å; I61-L65 VanDerWaalsContact O-CG 3.26Å; I61-L65 WeakPolarHBondContact O-CG 3.32Å; I61-L65 PolarHBondContact O-N 3.4Å; L62-L65 CarbonylContact O-C 3.55Å; L62-L65 PolarHBondContact O-N 3.48Å; D63-L65 VanDerWaalsContact C-N 3.27Å; D63-L65 PolarHBondContact O-N 2.94Å; L65-K67 HydrophobicContact CB-CB 4.46Å; L65-K67 PolarHBondContact O-N 3.43Å; L65-M83 HydrophobicContact CD1-CE 3.58Å |
| 66 | K | 89.6 | Confident | 89.8 | Confident | 195 Ų | 195 | 88.5 Ų | 88.5 | 85% | 0.848 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 44.8 | -174.8 | -60.6 | -178.3 | 176.7 | 177.7 | 0 | 112.6 | L62 D63 | L62-K66 PolarHBondContact O-N 3.03Å; D63-K66 PolarHBondContact O-N 2.94Å |
| 67 | K | 87.8 | Confident | 89.7 | Confident | 93 Ų | 93 | 88.5 Ų | 88.5 | 40% | 0.404 | 45% | 0.453 | S | S | . | . | trans | -106.7 | 138.9 | -175.4 | -148.5 | 165 | -173.7 | -175.8 | 0 | 110.9 | L62 L65 S69 H72 M83 | L62-K67 HydrophobicContact CD2-CB 3.99Å; L62-K67 PolarHBondContact O-N 3.38Å; L65-K67 HydrophobicContact CB-CB 4.46Å; L65-K67 PolarHBondContact O-N 3.43Å; K67-S69 PolarHBondContact O-N 3.05Å; K67-S69 VanDerWaalsContact O-N 3.15Å; K67-H72 WeakPolarHBondContact CD-NE2 3.45Å; K67-H72 WeakPolarHBondContact CE-NE2 3.46Å; K67-H72 WeakPolarHBondContact CG-NE2 3.05Å; K67-M83 HydrophobicContact CD-CE 4.35Å | ||
| 68 | D | 84.8 | Confident | 89.6 | Confident | 93 Ų | 93 | 89.2 Ų | 89.2 | 50% | 0.497 | 47% | 0.466 | S | S | . | . | trans | -61.5 | 117.2 | -172.7 | -55.8 | -53.2 | 0 | 0 | 0 | 112.3 | S70 R71 H72 | D68-S70 PolarHBondContact O-N 3.27Å; D68-R71 HydrophobicContact CB-CB 4.33Å; D68-R71 HydrophobicContact CB-CG 4.1Å; D68-R71 PolarHBondContact O-N 3.27Å; D68-H72 PolarHBondContact O-CD2 3.41Å; D68-H72 VanDerWaalsContact O-CD2 3.27Å; D68-H72 PolarHBondContact O-N 3.17Å | ||
| 69 | S | 82.5 | Confident | 89.6 | Confident | 80 Ų | 80 | 90 Ų | 90 | 56% | 0.559 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -32.6 | 178.7 | -172.6 | 0 | 0 | 0 | 0 | 112.8 | K67 H72 S73 | K67-S69 PolarHBondContact O-N 3.05Å; K67-S69 VanDerWaalsContact O-N 3.15Å; S69-H72 CarbonylContact O-C 3.36Å; S69-H72 PolarHBondContact O-N 3.18Å; S69-S73 PolarHBondContact O-N 2.97Å |
| 70 | S | 81.2 | Confident | 89.6 | Confident | 89 Ų | 89 | 87 Ų | 87 | 62% | 0.622 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -45.3 | 178.8 | 60.5 | 0 | 0 | 0 | 0 | 113 | D68 H72 S73 | D68-S70 PolarHBondContact O-N 3.27Å; S70-H72 PolarHBondContact O-N 3.21Å; S70-S73 WeakPolarHBondContact O-CB 3.49Å; S70-S73 PolarHBondContact O-N 2.97Å; S70-S73 PolarHBondContact O-OG 3.49Å |
| 71 | R | 81.2 | Confident | 89.6 | Confident | 184 Ų | 184 | 85.9 Ų | 85.9 | 69% | 0.694 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -21.4 | 177.9 | -64.1 | -175.5 | 65.1 | -152.6 | 0.3 | 112.5 | D68 | D68-R71 HydrophobicContact CB-CB 4.33Å; D68-R71 HydrophobicContact CB-CG 4.1Å; D68-R71 PolarHBondContact O-N 3.27Å |
| 72 | H | 84.7 | Confident | 89.7 | Confident | 22 Ų | 22 | 91.8 Ų | 91.8 | 10% | 0.102 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 10.7 | -178.4 | -72.4 | -80.7 | 0 | 0 | 0 | 113 | K58 L62 K67 D68 S69 S70 K74 L75 | K58-H72 WeakPolarHBondContact CE-O 3.49Å; K58-H72 PolarHBondContact NZ-O 3.23Å; L62-H72 HydrophobicContact CD1-CB 3.62Å; L62-H72 HydrophobicContact CD2-CB 3.61Å; L62-H72 VanDerWaalsContact CD2-CG 3.48Å; L62-H72 HydrophobicContact CG-CB 4.29Å; K67-H72 WeakPolarHBondContact CD-NE2 3.45Å; K67-H72 WeakPolarHBondContact CE-NE2 3.46Å; K67-H72 WeakPolarHBondContact CG-NE2 3.05Å; D68-H72 PolarHBondContact O-CD2 3.41Å; D68-H72 VanDerWaalsContact O-CD2 3.27Å; D68-H72 PolarHBondContact O-N 3.17Å; S69-H72 CarbonylContact O-C 3.36Å; S69-H72 PolarHBondContact O-N 3.18Å; S70-H72 PolarHBondContact O-N 3.21Å; H72-K74 PolarHBondContact O-N 2.82Å; H72-K74 VanDerWaalsContact O-N 3.15Å; H72-L75 HydrophobicContact CB-CD1 3.76Å; H72-L75 HydrophobicContact CB-CG 4Å; H72-L75 WeakPolarHBondContact O-CG 3.36Å; H72-L75 PolarHBondContact O-N 3.39Å |
| 73 | S | 83.4 | Confident | 89.7 | Confident | 86 Ų | 86 | 93.2 Ų | 93.2 | 60% | 0.601 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -32.5 | 179.4 | 54.8 | 0 | 0 | 0 | 0 | 112.7 | K58 S69 S70 | K58-S73 PolarHBondContact NZ-O 2.72Å; S69-S73 PolarHBondContact O-N 2.97Å; S70-S73 WeakPolarHBondContact O-CB 3.49Å; S70-S73 PolarHBondContact O-N 2.97Å; S70-S73 PolarHBondContact O-OG 3.49Å |
| 74 | K | 86 | Confident | 89.9 | Confident | 194 Ų | 194 | 88.8 Ų | 88.8 | 84% | 0.843 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | 25.9 | -177.1 | -151.4 | 177.5 | -179.1 | 179.6 | 0 | 115.4 | H72 E76 | H72-K74 PolarHBondContact O-N 2.82Å; H72-K74 VanDerWaalsContact O-N 3.15Å; K74-E76 PolarHBondContact O-N 2.96Å |
| 75 | L | 87.1 | Confident | 90.2 | Very high | 34 Ų | 34 | 90.1 Ų | 90.1 | 18% | 0.178 | 46% | 0.46 | C | S | . | . | trans | -57.8 | 134 | 176.5 | -79.1 | 172.8 | 0 | 0 | 0 | 112.2 | K58 L62 H72 D79 I80 M83 | K58-L75 HydrophobicContact CD-CD1 4.49Å; K58-L75 HydrophobicContact CG-CD1 4.24Å; L62-L75 HydrophobicContact CD2-CD1 4.39Å; H72-L75 HydrophobicContact CB-CD1 3.76Å; H72-L75 HydrophobicContact CB-CG 4Å; H72-L75 WeakPolarHBondContact O-CG 3.36Å; H72-L75 PolarHBondContact O-N 3.39Å; L75-D79 HydrophobicContact CB-CB 4.5Å; L75-D79 HydrophobicContact CD2-CB 3.59Å; L75-I80 HydrophobicContact CB-CD1 4.43Å; L75-I80 HydrophobicContact CB-CG1 3.92Å; L75-I80 HydrophobicContact CD1-CG1 4.32Å; L75-M83 HydrophobicContact CD1-SD 4.24Å; L75-M83 HydrophobicContact CD2-SD 4.36Å | ||
| 76 | E | 93.8 | Very high | 90.4 | Very high | 135 Ų | 135 | 93.1 Ų | 93.1 | 63% | 0.631 | 47% | 0.47 | S | S | * | . | trans | -74.2 | 160.8 | 172.9 | -59.6 | -163.8 | 112 | 0 | 0 | 110.7 | K74 A78 D79 I80 | K74-E76 PolarHBondContact O-N 2.96Å; E76-A78 PolarHBondContact O-N 3.34Å; E76-D79 PolarHBondContact N-OD2 3.46Å; E76-D79 PolarHBondContact O-N 3.18Å; E76-I80 WeakPolarHBondContact O-CG1 3.25Å; E76-I80 PolarHBondContact O-N 3.47Å; E76-I80 VanDerWaalsContact O-N 3.12Å | ||
| 77 | K | 93.6 | Very high | 90.7 | Very high | 118 Ų | 118 | 85.9 Ų | 85.9 | 51% | 0.513 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.1 | -37.2 | 178.5 | -68.5 | -172.7 | 171.2 | -172.2 | 0 | 111.8 | N51 L54 L81 | N51-K77 PolarHBondContact OD1-NZ 2.88Å; L54-K77 HydrophobicContact CD1-CB 4.5Å; L54-K77 HydrophobicContact CD1-CD 3.95Å; L54-K77 HydrophobicContact CD1-CG 4.07Å; K77-L81 VanDerWaalsContact O-CG 3.31Å; K77-L81 WeakPolarHBondContact O-CG 3.39Å; K77-L81 PolarHBondContact O-N 3.11Å |
| 78 | A | 95.7 | Very high | 91.1 | Very high | 65 Ų | 65 | 86.1 Ų | 86.1 | 54% | 0.537 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E76 I80 L81 E82 | E76-A78 PolarHBondContact O-N 3.34Å; A78-I80 PolarHBondContact O-N 2.89Å; A78-L81 PolarHBondContact O-N 3.36Å; A78-L81 VanDerWaalsContact O-N 3.15Å; A78-E82 PolarHBondContact O-N 3.48Å |
| 79 | D | 94.3 | Very high | 91.5 | Very high | 56 Ų | 56 | 89 Ų | 89 | 30% | 0.299 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 179.8 | -57.6 | -26.2 | 0 | 0 | 0 | 112.7 | L75 E76 L81 E82 M83 | L75-D79 HydrophobicContact CB-CB 4.5Å; L75-D79 HydrophobicContact CD2-CB 3.59Å; E76-D79 PolarHBondContact N-OD2 3.46Å; E76-D79 PolarHBondContact O-N 3.18Å; D79-L81 VanDerWaalsContact C-N 3.28Å; D79-L81 PolarHBondContact O-N 3.24Å; D79-E82 PolarHBondContact O-N 3.39Å; D79-M83 WeakPolarHBondContact O-CB 3.32Å; D79-M83 WeakPolarHBondContact O-CG 3.07Å; D79-M83 PolarHBondContact O-N 3.33Å |
| 80 | I | 94.6 | Very high | 91.9 | Very high | 14 Ų | 14 | 88.5 Ų | 88.5 | 7% | 0.072 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -58.7 | -45.3 | 176.8 | -63.3 | 165.8 | 0 | 0 | 0 | 109.6 | L54 L57 K58 L75 E76 A78 T84 | L54-I80 HydrophobicContact CD2-CB 4.35Å; L54-I80 HydrophobicContact CD2-CG2 3.94Å; L57-I80 HydrophobicContact CB-CG2 4.49Å; L57-I80 HydrophobicContact CD2-CG2 4.25Å; L57-I80 HydrophobicContact CG-CG2 4.26Å; K58-I80 HydrophobicContact CB-CD1 4.05Å; K58-I80 HydrophobicContact CB-CG1 4.15Å; K58-I80 HydrophobicContact CB-CG2 4.14Å; K58-I80 HydrophobicContact CD-CD1 4.07Å; K58-I80 HydrophobicContact CD-CG1 4.41Å; K58-I80 HydrophobicContact CG-CD1 4.37Å; K58-I80 HydrophobicContact CG-CG1 4.32Å; L75-I80 HydrophobicContact CB-CD1 4.43Å; L75-I80 HydrophobicContact CB-CG1 3.92Å; L75-I80 HydrophobicContact CD1-CG1 4.32Å; E76-I80 WeakPolarHBondContact O-CG1 3.25Å; E76-I80 PolarHBondContact O-N 3.47Å; E76-I80 VanDerWaalsContact O-N 3.12Å; A78-I80 PolarHBondContact O-N 2.89Å; I80-T84 WeakPolarHBondContact O-CB 3.22Å; I80-T84 PolarHBondContact O-N 2.78Å; I80-T84 PolarHBondContact O-OG1 3.33Å |
| 81 | L | 97.4 | Very high | 92.5 | Very high | 91 Ų | 91 | 87.7 Ų | 87.7 | 48% | 0.476 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.6 | -42.7 | 179 | -65.9 | 174.8 | 0 | 0 | 0 | 111.7 | L54 L57 K77 A78 D79 T84 V85 | L54-L81 HydrophobicContact CD2-CD2 4.09Å; L54-L81 HydrophobicContact CD2-CG 4.35Å; L57-L81 HydrophobicContact CD2-CD2 4.49Å; K77-L81 VanDerWaalsContact O-CG 3.31Å; K77-L81 WeakPolarHBondContact O-CG 3.39Å; K77-L81 PolarHBondContact O-N 3.11Å; A78-L81 PolarHBondContact O-N 3.36Å; A78-L81 VanDerWaalsContact O-N 3.15Å; D79-L81 VanDerWaalsContact C-N 3.28Å; D79-L81 PolarHBondContact O-N 3.24Å; L81-T84 WeakPolarHBondContact O-CB 2.98Å; L81-T84 PolarHBondContact O-N 3.4Å; L81-V85 VanDerWaalsContact O-CG2 3.32Å; L81-V85 WeakPolarHBondContact O-CG2 3.27Å; L81-V85 PolarHBondContact O-N 2.87Å |
| 82 | E | 95.8 | Very high | 92.8 | Very high | 135 Ų | 135 | 84.7 Ų | 84.7 | 63% | 0.631 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.8 | -48.8 | 178.4 | -173.4 | -179.4 | 167.4 | 0 | 0 | 111.6 | A78 D79 T84 V85 K86 | A78-E82 PolarHBondContact O-N 3.48Å; D79-E82 PolarHBondContact O-N 3.39Å; E82-T84 VanDerWaalsContact C-N 3.26Å; E82-T84 PolarHBondContact O-N 3.44Å; E82-V85 PolarHBondContact O-N 3.34Å; E82-K86 WeakPolarHBondContact O-CB 3.35Å; E82-K86 PolarHBondContact O-N 3.37Å |
| 83 | M | 95.3 | Very high | 93 | Very high | 34 Ų | 34 | 91 Ų | 91 | 17% | 0.167 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -59.2 | -40.3 | 176.5 | -74.7 | -171.1 | 59.3 | 0 | 0 | 111.6 | I61 L62 L65 K67 L75 D79 H87 | I61-M83 HydrophobicContact CG2-CB 4Å; I61-M83 HydrophobicContact CG2-CE 4.13Å; L62-M83 HydrophobicContact CD2-CE 4.09Å; L65-M83 HydrophobicContact CD1-CE 3.58Å; K67-M83 HydrophobicContact CD-CE 4.35Å; L75-M83 HydrophobicContact CD1-SD 4.24Å; L75-M83 HydrophobicContact CD2-SD 4.36Å; D79-M83 WeakPolarHBondContact O-CB 3.32Å; D79-M83 WeakPolarHBondContact O-CG 3.07Å; D79-M83 PolarHBondContact O-N 3.33Å; M83-H87 WeakPolarHBondContact O-CB 3.33Å; M83-H87 PolarHBondContact O-N 2.93Å |
| 84 | T | 96.8 | Very high | 93 | Very high | 13 Ų | 13 | 89.6 Ų | 89.6 | 8% | 0.08 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.2 | -51.3 | 176.1 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | L57 I61 I80 L81 E82 K86 H87 L88 | L57-T84 HydrophobicContact CD1-CG2 3.76Å; L57-T84 HydrophobicContact CD2-CG2 4.04Å; L57-T84 WeakPolarHBondContact CD2-OG1 3.34Å; L57-T84 HydrophobicContact CG-CG2 4.25Å; L57-T84 WeakPolarHBondContact CG-OG1 3.48Å; I61-T84 HydrophobicContact CD1-CG2 4.17Å; I61-T84 HydrophobicContact CG1-CG2 4.44Å; I80-T84 WeakPolarHBondContact O-CB 3.22Å; I80-T84 PolarHBondContact O-N 2.78Å; I80-T84 PolarHBondContact O-OG1 3.33Å; L81-T84 WeakPolarHBondContact O-CB 2.98Å; L81-T84 PolarHBondContact O-N 3.4Å; E82-T84 VanDerWaalsContact C-N 3.26Å; E82-T84 PolarHBondContact O-N 3.44Å; T84-K86 VanDerWaalsContact C-N 3.3Å; T84-K86 PolarHBondContact O-N 3.46Å; T84-H87 PolarHBondContact O-N 2.78Å; T84-H87 VanDerWaalsContact O-N 3.13Å; T84-L88 HydrophobicContact CG2-CD1 4.06Å; T84-L88 HydrophobicContact CG2-CG 4.35Å; T84-L88 WeakPolarHBondContact O-CG 3.22Å; T84-L88 PolarHBondContact O-N 2.83Å |
| 85 | V | 97.4 | Very high | 92.8 | Very high | 84 Ų | 84 | 85.9 Ų | 85.9 | 51% | 0.509 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.2 | -43 | -179.2 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | L81 E82 H87 L88 R89 | L81-V85 VanDerWaalsContact O-CG2 3.32Å; L81-V85 WeakPolarHBondContact O-CG2 3.27Å; L81-V85 PolarHBondContact O-N 2.87Å; E82-V85 PolarHBondContact O-N 3.34Å; V85-H87 VanDerWaalsContact C-N 3.34Å; V85-H87 PolarHBondContact O-N 2.73Å; V85-L88 PolarHBondContact O-N 3.36Å; V85-R89 HydrophobicContact CG1-CG 4.42Å; V85-R89 WeakPolarHBondContact O-CB 3.32Å; V85-R89 VanDerWaalsContact O-CG 3.28Å; V85-R89 WeakPolarHBondContact O-CG 3.45Å; V85-R89 PolarHBondContact O-N 3.05Å |
| 86 | K | 95.6 | Very high | 92.2 | Very high | 140 Ų | 140 | 90.9 Ų | 90.9 | 61% | 0.609 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -59.3 | -45.4 | 174.8 | -175.9 | 174.7 | -179.9 | 172.1 | 0 | 111.5 | E82 T84 R89 N90 | E82-K86 WeakPolarHBondContact O-CB 3.35Å; E82-K86 PolarHBondContact O-N 3.37Å; T84-K86 VanDerWaalsContact C-N 3.3Å; T84-K86 PolarHBondContact O-N 3.46Å; K86-R89 PolarHBondContact O-N 2.92Å; K86-N90 WeakPolarHBondContact O-CB 3.36Å; K86-N90 VanDerWaalsContact O-CG 3.32Å; K86-N90 PolarHBondContact O-N 2.95Å; K86-N90 PolarHBondContact O-OD1 3.21Å; K86-N90 VanDerWaalsContact O-OD1 3.08Å |
| 87 | H | 95 | Very high | 91.3 | Very high | 43 Ų | 43 | 87.6 Ų | 87.6 | 20% | 0.199 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 177.1 | -179.1 | 71.2 | 0 | 0 | 0 | 112 | I61 M83 T84 V85 R89 N90 L91 | I61-H87 HydrophobicContact CD1-CB 3.95Å; M83-H87 WeakPolarHBondContact O-CB 3.33Å; M83-H87 PolarHBondContact O-N 2.93Å; T84-H87 PolarHBondContact O-N 2.78Å; T84-H87 VanDerWaalsContact O-N 3.13Å; V85-H87 VanDerWaalsContact C-N 3.34Å; V85-H87 PolarHBondContact O-N 2.73Å; H87-R89 PolarHBondContact O-N 3.44Å; H87-N90 CarbonylContact O-C 3.33Å; H87-N90 WeakPolarHBondContact O-CB 3.43Å; H87-N90 PolarHBondContact O-N 2.92Å; H87-N90 VanDerWaalsContact O-N 3.16Å; H87-L91 WeakPolarHBondContact O-CB 3.33Å; H87-L91 PolarHBondContact O-N 2.7Å |
| 88 | L | 96.1 | Very high | 90.1 | Very high | 98 Ų | 98 | 84.1 Ų | 84.1 | 51% | 0.513 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 178.2 | -69.5 | 176.1 | 0 | 0 | 0 | 112.4 | T84 V85 N90 L91 Q92 | T84-L88 HydrophobicContact CG2-CD1 4.06Å; T84-L88 HydrophobicContact CG2-CG 4.35Å; T84-L88 WeakPolarHBondContact O-CG 3.22Å; T84-L88 PolarHBondContact O-N 2.83Å; V85-L88 PolarHBondContact O-N 3.36Å; L88-N90 VanDerWaalsContact C-N 3.33Å; L88-N90 PolarHBondContact O-N 3.49Å; L88-L91 PolarHBondContact O-N 3.14Å; L88-Q92 WeakPolarHBondContact O-CB 3.29Å; L88-Q92 PolarHBondContact O-N 3.12Å |
| 89 | R | 93.8 | Very high | 88.6 | Confident | 153 Ų | 153 | 84.3 Ų | 84.3 | 58% | 0.577 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -63.5 | -40 | 174.3 | -70 | -68.9 | -171.6 | 162.2 | 3.2 | 111.7 | V85 K86 H87 R93 | V85-R89 HydrophobicContact CG1-CG 4.42Å; V85-R89 WeakPolarHBondContact O-CB 3.32Å; V85-R89 VanDerWaalsContact O-CG 3.28Å; V85-R89 WeakPolarHBondContact O-CG 3.45Å; V85-R89 PolarHBondContact O-N 3.05Å; K86-R89 PolarHBondContact O-N 2.92Å; H87-R89 PolarHBondContact O-N 3.44Å; R89-R93 WeakPolarHBondContact O-CG 3.16Å; R89-R93 PolarHBondContact O-N 3.47Å; R89-R93 VanDerWaalsContact O-N 3.12Å |
| 90 | N | 92.1 | Very high | 87.1 | Confident | 70 Ų | 70 | 86.4 Ų | 86.4 | 37% | 0.374 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 175.2 | -77.1 | 27.2 | 0 | 0 | 0 | 111.6 | K86 H87 L88 R93 A94 | K86-N90 WeakPolarHBondContact O-CB 3.36Å; K86-N90 VanDerWaalsContact O-CG 3.32Å; K86-N90 PolarHBondContact O-N 2.95Å; K86-N90 PolarHBondContact O-OD1 3.21Å; K86-N90 VanDerWaalsContact O-OD1 3.08Å; H87-N90 CarbonylContact O-C 3.33Å; H87-N90 WeakPolarHBondContact O-CB 3.43Å; H87-N90 PolarHBondContact O-N 2.92Å; H87-N90 VanDerWaalsContact O-N 3.16Å; L88-N90 VanDerWaalsContact C-N 3.33Å; L88-N90 PolarHBondContact O-N 3.49Å; N90-R93 PolarHBondContact O-N 3.43Å; N90-R93 PolarHBondContact OD1-NH2 2.86Å; N90-A94 WeakPolarHBondContact O-CB 3.45Å; N90-A94 PolarHBondContact O-N 3.17Å |
| 91 | L | 92.4 | Very high | 85.5 | Confident | 73 Ų | 73 | 89.9 Ų | 89.9 | 38% | 0.382 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 177.8 | -176.7 | 63.4 | 0 | 0 | 0 | 111 | H87 L88 R93 A94 Q95 | H87-L91 WeakPolarHBondContact O-CB 3.33Å; H87-L91 PolarHBondContact O-N 2.7Å; L88-L91 PolarHBondContact O-N 3.14Å; L91-R93 VanDerWaalsContact C-N 3.35Å; L91-R93 PolarHBondContact O-N 2.91Å; L91-A94 PolarHBondContact O-N 2.87Å; L91-Q95 HydrophobicContact CD1-CG 4.29Å; L91-Q95 HydrophobicContact CG-CG 4.4Å; L91-Q95 WeakPolarHBondContact O-CB 3.4Å; L91-Q95 VanDerWaalsContact O-CG 3.29Å; L91-Q95 WeakPolarHBondContact O-CG 3.43Å; L91-Q95 PolarHBondContact O-N 3.42Å |
| 92 | Q | 88.6 | Confident | 83.9 | Confident | 121 Ų | 121 | 91.1 Ų | 91.1 | 57% | 0.565 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.5 | -43.6 | 176.8 | -172.5 | -178.1 | 13.1 | 0 | 0 | 111.8 | L88 Q95 M96 | L88-Q92 WeakPolarHBondContact O-CB 3.29Å; L88-Q92 PolarHBondContact O-N 3.12Å; Q92-Q95 PolarHBondContact O-N 3.46Å; Q92-M96 WeakPolarHBondContact O-CB 3.35Å; Q92-M96 PolarHBondContact O-N 3.46Å |
| 93 | R | 88.1 | Confident | 82.2 | Confident | 154 Ų | 154 | 87.6 Ų | 87.6 | 58% | 0.581 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.1 | -47.4 | 174.5 | -76.6 | -170.7 | -70 | -120 | 0.8 | 111.7 | R89 N90 L91 Q95 M96 T97 | R89-R93 WeakPolarHBondContact O-CG 3.16Å; R89-R93 PolarHBondContact O-N 3.47Å; R89-R93 VanDerWaalsContact O-N 3.12Å; N90-R93 PolarHBondContact O-N 3.43Å; N90-R93 PolarHBondContact OD1-NH2 2.86Å; L91-R93 VanDerWaalsContact C-N 3.35Å; L91-R93 PolarHBondContact O-N 2.91Å; R93-Q95 VanDerWaalsContact C-N 3.31Å; R93-Q95 PolarHBondContact O-N 3.05Å; R93-M96 PolarHBondContact O-N 3.02Å; R93-T97 PolarHBondContact O-N 2.75Å; R93-T97 PolarHBondContact O-OG1 3.07Å |
| 94 | A | 84.3 | Confident | 80.7 | Confident | 56 Ų | 56 | 90.4 Ų | 90.4 | 46% | 0.463 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.1 | -39 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N90 L91 T97 A98 | N90-A94 WeakPolarHBondContact O-CB 3.45Å; N90-A94 PolarHBondContact O-N 3.17Å; L91-A94 PolarHBondContact O-N 2.87Å; A94-T97 PolarHBondContact O-N 2.83Å; A94-A98 WeakPolarHBondContact O-CB 3.42Å; A94-A98 PolarHBondContact O-N 3.05Å |
| 95 | Q | 81.2 | Confident | 79.4 | Confident | 117 Ų | 117 | 92 Ų | 92 | 55% | 0.547 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.4 | -39.6 | 174.6 | -75.9 | 179.9 | -5.4 | 0 | 0 | 112.2 | L91 Q92 R93 A98 A99 | L91-Q95 HydrophobicContact CD1-CG 4.29Å; L91-Q95 HydrophobicContact CG-CG 4.4Å; L91-Q95 WeakPolarHBondContact O-CB 3.4Å; L91-Q95 VanDerWaalsContact O-CG 3.29Å; L91-Q95 WeakPolarHBondContact O-CG 3.43Å; L91-Q95 PolarHBondContact O-N 3.42Å; Q92-Q95 PolarHBondContact O-N 3.46Å; R93-Q95 VanDerWaalsContact C-N 3.31Å; R93-Q95 PolarHBondContact O-N 3.05Å; Q95-A98 PolarHBondContact O-N 3.11Å; Q95-A99 VanDerWaalsContact O-CB 3.25Å; Q95-A99 WeakPolarHBondContact O-CB 3.24Å; Q95-A99 PolarHBondContact O-N 2.63Å |
| 96 | M | 75.2 | Confident | 78.5 | Confident | 138 Ų | 138 | 92.9 Ų | 92.9 | 68% | 0.68 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.9 | -45.1 | 174.8 | -170.7 | 176.7 | -169 | 0 | 0 | 111.1 | Q92 R93 A99 L100 | Q92-M96 WeakPolarHBondContact O-CB 3.35Å; Q92-M96 PolarHBondContact O-N 3.46Å; R93-M96 PolarHBondContact O-N 3.02Å; M96-A99 PolarHBondContact O-N 3.37Å; M96-L100 WeakPolarHBondContact O-CG 3.4Å; M96-L100 PolarHBondContact O-N 3.39Å; M96-L100 VanDerWaalsContact O-N 3.17Å |
| 97 | T | 73.6 | Confident | 77.6 | Confident | 67 Ų | 67 | 88.4 Ų | 88.4 | 41% | 0.411 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 172.9 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | R93 A94 A99 L100 N101 | R93-T97 PolarHBondContact O-N 2.75Å; R93-T97 PolarHBondContact O-OG1 3.07Å; A94-T97 PolarHBondContact O-N 2.83Å; T97-A99 PolarHBondContact O-N 3.46Å; T97-L100 PolarHBondContact O-N 3.09Å; T97-N101 PolarHBondContact O-N 3.07Å; T97-N101 VanDerWaalsContact O-N 3.1Å; T97-N101 PolarHBondContact O-ND2 2.85Å |
| 98 | A | 69.5 | Low | 77 | Confident | 45 Ų | 45 | 88.1 Ų | 88.1 | 37% | 0.372 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.7 | -37.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A94 Q95 L100 N101 T102 | A94-A98 WeakPolarHBondContact O-CB 3.42Å; A94-A98 PolarHBondContact O-N 3.05Å; Q95-A98 PolarHBondContact O-N 3.11Å; A98-L100 VanDerWaalsContact C-N 3.32Å; A98-L100 PolarHBondContact O-N 3.24Å; A98-N101 CarbonylContact O-C 3.6Å; A98-N101 WeakPolarHBondContact O-CA 3.43Å; A98-N101 PolarHBondContact O-N 3.15Å; A98-T102 WeakPolarHBondContact O-CB 3.42Å; A98-T102 PolarHBondContact O-N 3.3Å; A98-T102 PolarHBondContact O-OG1 2.91Å |
| 99 | A | 62.7 | Low | 76.5 | Confident | 69 Ų | 69 | 89.6 Ų | 89.6 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63 | -38.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q95 M96 T97 N101 T102 | Q95-A99 VanDerWaalsContact O-CB 3.25Å; Q95-A99 WeakPolarHBondContact O-CB 3.24Å; Q95-A99 PolarHBondContact O-N 2.63Å; M96-A99 PolarHBondContact O-N 3.37Å; T97-A99 PolarHBondContact O-N 3.46Å; A99-N101 PolarHBondContact O-N 3.4Å; A99-T102 PolarHBondContact O-N 2.89Å |
| 100 | L | 63.1 | Low | 76.2 | Confident | 99 Ų | 99 | 88.7 Ų | 88.7 | 52% | 0.518 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.6 | -27.1 | 171.1 | -64.2 | 173.6 | 0 | 0 | 0 | 112.6 | M96 T97 A98 | M96-L100 WeakPolarHBondContact O-CG 3.4Å; M96-L100 PolarHBondContact O-N 3.39Å; M96-L100 VanDerWaalsContact O-N 3.17Å; T97-L100 PolarHBondContact O-N 3.09Å; A98-L100 VanDerWaalsContact C-N 3.32Å; A98-L100 PolarHBondContact O-N 3.24Å |
| 101 | N | 62.2 | Low | 76 | Confident | 87 Ų | 87 | 91.2 Ų | 91.2 | 47% | 0.465 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -95.1 | -12.5 | 179.4 | -76.4 | -77.8 | 0 | 0 | 0 | 114.5 | T97 A98 A99 D103 P104 | T97-N101 PolarHBondContact O-N 3.07Å; T97-N101 VanDerWaalsContact O-N 3.1Å; T97-N101 PolarHBondContact O-ND2 2.85Å; A98-N101 CarbonylContact O-C 3.6Å; A98-N101 WeakPolarHBondContact O-CA 3.43Å; A98-N101 PolarHBondContact O-N 3.15Å; A99-N101 PolarHBondContact O-N 3.4Å; N101-D103 VanDerWaalsContact C-N 3.28Å; N101-D103 PolarHBondContact O-N 2.9Å; N101-P104 WeakPolarHBondContact O-CD 3.38Å |
| 102 | T | 63.1 | Low | 75.8 | Confident | 117 Ų | 117 | 90.1 Ų | 90.1 | 72% | 0.718 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -73.6 | -23.6 | -173.5 | -61.9 | 0 | 0 | 0 | 0 | 111.6 | A98 A99 | A98-T102 WeakPolarHBondContact O-CB 3.42Å; A98-T102 PolarHBondContact O-N 3.3Å; A98-T102 PolarHBondContact O-OG1 2.91Å; A99-T102 PolarHBondContact O-N 2.89Å |
| 103 | D | 60.5 | Low | 76 | Confident | 62 Ų | 62 | 86.1 Ų | 86.1 | 33% | 0.332 | 48% | 0.48 | S | S | . | . | trans | -137.3 | 90.2 | 161.6 | -171.1 | -3.7 | 0 | 0 | 0 | 109.5 | N101 S105 I106 | N101-D103 VanDerWaalsContact C-N 3.28Å; N101-D103 PolarHBondContact O-N 2.9Å; D103-S105 PolarHBondContact O-N 3.39Å; D103-S105 VanDerWaalsContact OD1-CA 3.27Å; D103-S105 WeakPolarHBondContact OD1-CA 3.27Å; D103-S105 WeakPolarHBondContact OD1-CB 3.44Å; D103-S105 PolarHBondContact OD1-N 3.35Å; D103-S105 PolarHBondContact OD1-OG 3.47Å; D103-S105 PolarHBondContact OD2-OG 3.26Å; D103-I106 HydrophobicContact CB-CB 4.45Å; D103-I106 HydrophobicContact CB-CG1 3.72Å; D103-I106 PolarHBondContact O-N 2.95Å; D103-I106 WeakPolarHBondContact OD2-CG1 3.37Å | ||
| 104 | P | 63 | Low | 76.3 | Confident | 93 Ų | 93 | 80.5 Ų | 80.5 | 60% | 0.604 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.2 | -17 | 174.6 | 27.1 | -32.8 | 0 | 0 | 0 | 111.5 | N101 G108 | N101-P104 WeakPolarHBondContact O-CD 3.38Å; P104-G108 PolarHBondContact O-N 3.35Å |
| 105 | S | 70.1 | Confident | 76.8 | Confident | 45 Ų | 45 | 79.8 Ų | 79.8 | 32% | 0.315 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -70.1 | -27.7 | 172 | 96.7 | 0 | 0 | 0 | 0 | 112.6 | D103 G108 K109 | D103-S105 PolarHBondContact O-N 3.39Å; D103-S105 VanDerWaalsContact OD1-CA 3.27Å; D103-S105 WeakPolarHBondContact OD1-CA 3.27Å; D103-S105 WeakPolarHBondContact OD1-CB 3.44Å; D103-S105 PolarHBondContact OD1-N 3.35Å; D103-S105 PolarHBondContact OD1-OG 3.47Å; D103-S105 PolarHBondContact OD2-OG 3.26Å; S105-G108 CarbonylContact O-C 3.59Å; S105-G108 PolarHBondContact O-N 3.08Å; S105-K109 WeakPolarHBondContact O-CB 3.38Å; S105-K109 VanDerWaalsContact O-CD 3.32Å; S105-K109 WeakPolarHBondContact O-CD 3.31Å; S105-K109 WeakPolarHBondContact O-CG 3.37Å; S105-K109 PolarHBondContact O-N 2.97Å; S105-K109 WeakPolarHBondContact OG-CE 3.35Å; S105-K109 PolarHBondContact OG-NZ 3.16Å |
| 106 | I | 77.6 | Confident | 77.5 | Confident | 103 Ų | 103 | 80.9 Ų | 80.9 | 53% | 0.528 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.1 | -45.9 | 176.5 | -65.4 | -71 | 0 | 0 | 0 | 110.1 | D103 G108 K109 Y110 | D103-I106 HydrophobicContact CB-CB 4.45Å; D103-I106 HydrophobicContact CB-CG1 3.72Å; D103-I106 PolarHBondContact O-N 2.95Å; D103-I106 WeakPolarHBondContact OD2-CG1 3.37Å; I106-G108 VanDerWaalsContact C-N 3.32Å; I106-K109 PolarHBondContact O-N 3.49Å; I106-Y110 WeakPolarHBondContact O-CB 3.39Å; I106-Y110 PolarHBondContact O-N 2.9Å |
| 107 | L | 78.3 | Confident | 78.4 | Confident | 46 Ų | 46 | 77.9 Ų | 77.9 | 24% | 0.241 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -66 | -38.7 | 175.8 | -171 | 64.7 | 0 | 0 | 0 | 111 | Y110 R111 I150 N154 | L107-Y110 PolarHBondContact O-N 3.13Å; L107-R111 VanDerWaalsContact O-CB 3.32Å; L107-R111 WeakPolarHBondContact O-CB 3.38Å; L107-R111 PolarHBondContact O-N 3.34Å; L107-I150 HydrophobicContact CD1-CG2 4.37Å; L107-N154 HydrophobicContact CD2-CB 4.33Å |
| 108 | G | 81.8 | Confident | 79.5 | Confident | 38 Ų | 38 | 76.6 Ų | 76.6 | 39% | 0.392 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61 | -44.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | P104 S105 I106 R111 A112 | P104-G108 PolarHBondContact O-N 3.35Å; S105-G108 CarbonylContact O-C 3.59Å; S105-G108 PolarHBondContact O-N 3.08Å; I106-G108 VanDerWaalsContact C-N 3.32Å; G108-R111 PolarHBondContact O-N 2.87Å; G108-A112 WeakPolarHBondContact O-CB 3.37Å; G108-A112 PolarHBondContact O-N 2.9Å |
| 109 | K | 85.8 | Confident | 80.7 | Confident | 128 Ų | 128 | 78.9 Ų | 78.9 | 56% | 0.557 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -65.3 | -42.4 | 176 | -74.3 | 161.5 | -176.2 | 161 | 0 | 111.2 | S105 I106 A112 G113 | S105-K109 WeakPolarHBondContact O-CB 3.38Å; S105-K109 VanDerWaalsContact O-CD 3.32Å; S105-K109 WeakPolarHBondContact O-CD 3.31Å; S105-K109 WeakPolarHBondContact O-CG 3.37Å; S105-K109 PolarHBondContact O-N 2.97Å; S105-K109 WeakPolarHBondContact OG-CE 3.35Å; S105-K109 PolarHBondContact OG-NZ 3.16Å; I106-K109 PolarHBondContact O-N 3.49Å; K109-A112 PolarHBondContact O-N 3.32Å; K109-G113 PolarHBondContact O-N 2.79Å |
| 110 | Y | 87.1 | Confident | 82.4 | Confident | 134 Ų | 134 | 80 Ų | 80 | 53% | 0.525 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 174.7 | 178.6 | -102 | 0 | 0 | 0 | 111.4 | I106 L107 A112 G113 F114 I150 | I106-Y110 WeakPolarHBondContact O-CB 3.39Å; I106-Y110 PolarHBondContact O-N 2.9Å; L107-Y110 PolarHBondContact O-N 3.13Å; Y110-A112 VanDerWaalsContact C-N 3.35Å; Y110-A112 PolarHBondContact O-N 3.47Å; Y110-G113 PolarHBondContact O-N 2.85Å; Y110-F114 WeakPolarHBondContact O-CB 3.39Å; Y110-F114 PolarHBondContact O-N 2.78Å; Y110-I150 HydrophobicContact CD1-CG2 4.18Å; Y110-I150 HydrophobicContact CE1-CD1 3.68Å; Y110-I150 HydrophobicContact CE1-CG1 4.1Å; Y110-I150 HydrophobicContact CE1-CG2 4.21Å |
| 111 | R | 87.6 | Confident | 83.9 | Confident | 123 Ų | 123 | 77.2 Ų | 77.2 | 46% | 0.464 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.4 | -43.4 | 175.1 | -177.7 | -175.5 | -177.4 | -88.3 | 0.8 | 111.9 | L107 G108 F114 S115 M147 N151 | L107-R111 VanDerWaalsContact O-CB 3.32Å; L107-R111 WeakPolarHBondContact O-CB 3.38Å; L107-R111 PolarHBondContact O-N 3.34Å; G108-R111 PolarHBondContact O-N 2.87Å; R111-F114 PolarHBondContact O-N 2.76Å; R111-S115 WeakPolarHBondContact O-CB 3.31Å; R111-S115 PolarHBondContact O-N 3.44Å; R111-M147 HydrophobicContact CG-CE 4.23Å; R111-M147 HydrophobicContact CG-SD 3.93Å; R111-N151 PolarHBondContact NE-OD1 3.02Å; R111-N151 PolarHBondContact NH2-OD1 3.32Å |
| 112 | A | 88.7 | Confident | 85.4 | Confident | 50 Ų | 50 | 75.4 Ų | 75.4 | 41% | 0.413 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.1 | -50.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | G108 K109 Y110 F114 S115 E116 | G108-A112 WeakPolarHBondContact O-CB 3.37Å; G108-A112 PolarHBondContact O-N 2.9Å; K109-A112 PolarHBondContact O-N 3.32Å; Y110-A112 VanDerWaalsContact C-N 3.35Å; Y110-A112 PolarHBondContact O-N 3.47Å; A112-F114 VanDerWaalsContact C-N 3.34Å; A112-F114 PolarHBondContact O-N 3.32Å; A112-S115 WeakPolarHBondContact O-CB 3.24Å; A112-S115 PolarHBondContact O-N 2.98Å; A112-S115 VanDerWaalsContact O-N 3.11Å; A112-E116 PolarHBondContact O-N 3.49Å |
| 113 | G | 93 | Very high | 86.9 | Confident | 37 Ų | 37 | 76.9 Ų | 76.9 | 38% | 0.381 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.7 | -36.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | K109 Y110 E116 C117 | K109-G113 PolarHBondContact O-N 2.79Å; Y110-G113 PolarHBondContact O-N 2.85Å; G113-E116 PolarHBondContact O-N 3.29Å; G113-C117 WeakPolarHBondContact O-CB 3.06Å; G113-C117 PolarHBondContact O-N 3.26Å |
| 114 | F | 94.7 | Very high | 88.6 | Confident | 37 Ų | 37 | 79.7 Ų | 79.7 | 16% | 0.162 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 173.5 | -171 | -84.7 | 0 | 0 | 0 | 111.4 | Y110 R111 A112 C117 M118 L143 C146 M147 I150 | Y110-F114 WeakPolarHBondContact O-CB 3.39Å; Y110-F114 PolarHBondContact O-N 2.78Å; R111-F114 PolarHBondContact O-N 2.76Å; A112-F114 VanDerWaalsContact C-N 3.34Å; A112-F114 PolarHBondContact O-N 3.32Å; F114-C117 PolarHBondContact O-N 2.75Å; F114-M118 WeakPolarHBondContact O-CB 3.32Å; F114-M118 PolarHBondContact O-N 3.1Å; F114-L143 WeakPolarHBondContact CE1-O 3.41Å; F114-L143 HydrophobicContact CZ-CD2 4.01Å; F114-C146 HydrophobicContact CE2-CB 4.46Å; F114-C146 HydrophobicContact CZ-CB 3.8Å; F114-M147 HydrophobicContact CD1-CB 4.26Å; F114-M147 HydrophobicContact CD1-CE 3.83Å; F114-M147 HydrophobicContact CD1-SD 3.94Å; F114-M147 HydrophobicContact CE1-CB 3.96Å; F114-I150 HydrophobicContact CD1-CD1 4.38Å; F114-I150 HydrophobicContact CD2-CD1 4.06Å; F114-I150 HydrophobicContact CE2-CD1 4.25Å; F114-I150 HydrophobicContact CG-CD1 4.13Å |
| 115 | S | 93.4 | Very high | 90 | Very high | 40 Ų | 40 | 75.9 Ų | 75.9 | 28% | 0.28 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 175.8 | -166.2 | 0 | 0 | 0 | 0 | 111.8 | R111 A112 M118 N119 | R111-S115 WeakPolarHBondContact O-CB 3.31Å; R111-S115 PolarHBondContact O-N 3.44Å; A112-S115 WeakPolarHBondContact O-CB 3.24Å; A112-S115 PolarHBondContact O-N 2.98Å; A112-S115 VanDerWaalsContact O-N 3.11Å; S115-M118 PolarHBondContact O-N 2.65Å; S115-N119 WeakPolarHBondContact O-CB 3.17Å; S115-N119 VanDerWaalsContact O-CG 3.3Å; S115-N119 PolarHBondContact O-N 3.42Å; S115-N119 PolarHBondContact O-ND2 3.39Å |
| 116 | E | 95.8 | Very high | 90.9 | Very high | 141 Ų | 141 | 78 Ų | 78 | 66% | 0.659 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.4 | -45.1 | 176.4 | -72.1 | -179.5 | 175.7 | 0 | 0 | 111.4 | A112 G113 M118 N119 E120 | A112-E116 PolarHBondContact O-N 3.49Å; G113-E116 PolarHBondContact O-N 3.29Å; E116-M118 PolarHBondContact O-N 2.73Å; E116-N119 PolarHBondContact O-N 3.29Å; E116-E120 PolarHBondContact O-N 2.92Å |
| 117 | C | 96.1 | Very high | 91.5 | Very high | 74 Ų | 74 | 77.9 Ų | 77.9 | 50% | 0.5 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 175.5 | 179.8 | 0 | 0 | 0 | 0 | 112 | G113 F114 N119 E120 V121 | G113-C117 WeakPolarHBondContact O-CB 3.06Å; G113-C117 PolarHBondContact O-N 3.26Å; F114-C117 PolarHBondContact O-N 2.75Å; C117-N119 VanDerWaalsContact C-N 3.33Å; C117-N119 PolarHBondContact O-N 2.75Å; C117-E120 PolarHBondContact O-N 2.96Å; C117-V121 WeakPolarHBondContact O-CG2 3.43Å; C117-V121 PolarHBondContact O-N 2.89Å |
| 118 | M | 95.4 | Very high | 91.8 | Very high | 40 Ų | 40 | 77.3 Ų | 77.3 | 20% | 0.197 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 178 | -176 | -176.5 | 70.8 | 0 | 0 | 112 | F114 S115 E116 V121 T122 L143 | F114-M118 WeakPolarHBondContact O-CB 3.32Å; F114-M118 PolarHBondContact O-N 3.1Å; S115-M118 PolarHBondContact O-N 2.65Å; E116-M118 PolarHBondContact O-N 2.73Å; M118-V121 PolarHBondContact O-N 3.24Å; M118-T122 WeakPolarHBondContact O-CB 3.38Å; M118-T122 PolarHBondContact O-N 3.17Å; M118-T122 PolarHBondContact O-OG1 2.87Å; M118-L143 HydrophobicContact CG-CB 4.03Å; M118-L143 HydrophobicContact CG-CD1 4.35Å; M118-L143 HydrophobicContact SD-CB 4.18Å |
| 119 | N | 95.6 | Very high | 91.9 | Very high | 94 Ų | 94 | 84.8 Ų | 84.8 | 50% | 0.503 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 174.8 | -76.2 | -40.5 | 0 | 0 | 0 | 111.3 | S115 E116 C117 T122 R123 | S115-N119 WeakPolarHBondContact O-CB 3.17Å; S115-N119 VanDerWaalsContact O-CG 3.3Å; S115-N119 PolarHBondContact O-N 3.42Å; S115-N119 PolarHBondContact O-ND2 3.39Å; E116-N119 PolarHBondContact O-N 3.29Å; C117-N119 VanDerWaalsContact C-N 3.33Å; C117-N119 PolarHBondContact O-N 2.75Å; N119-T122 WeakPolarHBondContact O-CB 3.09Å; N119-T122 PolarHBondContact O-N 3.28Å; N119-R123 WeakPolarHBondContact O-CB 3.36Å; N119-R123 PolarHBondContact O-N 3.42Å |
| 120 | E | 96.9 | Very high | 91.7 | Very high | 92 Ų | 92 | 82.7 Ų | 82.7 | 43% | 0.43 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.4 | -40.5 | 178.1 | -173.5 | 58.3 | -163.2 | 0 | 0 | 112.1 | E116 C117 T122 R123 F124 | E116-E120 PolarHBondContact O-N 2.92Å; C117-E120 PolarHBondContact O-N 2.96Å; E120-T122 VanDerWaalsContact C-N 3.29Å; E120-T122 PolarHBondContact O-N 3.12Å; E120-R123 WeakPolarHBondContact O-CB 3.25Å; E120-R123 PolarHBondContact O-N 3.32Å; E120-R123 IonicContact OE1-CZ 3.51Å; E120-R123 IonicContact OE1-NE 3.43Å; E120-R123 PolarHBondContact OE1-NE 2.68Å; E120-R123 IonicContact OE1-NH2 3.23Å; E120-R123 PolarHBondContact OE1-NH2 3.5Å; E120-R123 IonicContact OE2-CZ 3.57Å; E120-R123 IonicContact OE2-NE 3.64Å; E120-R123 PolarHBondContact OE2-NE 3.04Å; E120-R123 IonicContact OE2-NH2 2.98Å; E120-F124 WeakPolarHBondContact O-CB 3.2Å; E120-F124 PolarHBondContact O-N 2.83Å |
| 121 | V | 95.7 | Very high | 91.7 | Very high | 41 Ų | 41 | 78.7 Ų | 78.7 | 25% | 0.248 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 172 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | C117 M118 F124 L125 L139 L140 L143 | C117-V121 WeakPolarHBondContact O-CG2 3.43Å; C117-V121 PolarHBondContact O-N 2.89Å; M118-V121 PolarHBondContact O-N 3.24Å; V121-F124 PolarHBondContact O-N 3.23Å; V121-L125 HydrophobicContact CG1-CD1 3.7Å; V121-L125 HydrophobicContact CG1-CG 4.29Å; V121-L125 WeakPolarHBondContact O-CB 3.4Å; V121-L125 WeakPolarHBondContact O-CG 3.45Å; V121-L125 PolarHBondContact O-N 2.98Å; V121-L139 HydrophobicContact CG1-CD2 4.21Å; V121-L140 HydrophobicContact CG1-CD2 4.37Å; V121-L143 HydrophobicContact CB-CD1 4.3Å; V121-L143 HydrophobicContact CG1-CD1 3.9Å |
| 122 | T | 93.9 | Very high | 91.8 | Very high | 49 Ų | 49 | 77.8 Ų | 77.8 | 30% | 0.301 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 176.7 | -55.3 | 0 | 0 | 0 | 0 | 111.1 | M118 N119 E120 S126 L140 | M118-T122 WeakPolarHBondContact O-CB 3.38Å; M118-T122 PolarHBondContact O-N 3.17Å; M118-T122 PolarHBondContact O-OG1 2.87Å; N119-T122 WeakPolarHBondContact O-CB 3.09Å; N119-T122 PolarHBondContact O-N 3.28Å; E120-T122 VanDerWaalsContact C-N 3.29Å; E120-T122 PolarHBondContact O-N 3.12Å; T122-S126 WeakPolarHBondContact O-CB 3.31Å; T122-S126 PolarHBondContact O-N 3.06Å; T122-S126 VanDerWaalsContact O-N 3.11Å; T122-S126 PolarHBondContact O-OG 3.01Å; T122-L140 HydrophobicContact CG2-CD1 4.31Å; T122-L140 VanDerWaalsContact OG1-CD2 3.25Å; T122-L140 WeakPolarHBondContact OG1-CD2 3.26Å |
| 123 | R | 94.8 | Very high | 91.9 | Very high | 148 Ų | 148 | 79.9 Ų | 79.9 | 56% | 0.558 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -61.7 | -50.3 | 177.2 | -169.2 | -179.4 | 79.4 | 97.3 | 2.4 | 111.3 | N119 E120 L125 S126 T127 | N119-R123 WeakPolarHBondContact O-CB 3.36Å; N119-R123 PolarHBondContact O-N 3.42Å; E120-R123 WeakPolarHBondContact O-CB 3.25Å; E120-R123 PolarHBondContact O-N 3.32Å; E120-R123 IonicContact OE1-CZ 3.51Å; E120-R123 IonicContact OE1-NE 3.43Å; E120-R123 PolarHBondContact OE1-NE 2.68Å; E120-R123 IonicContact OE1-NH2 3.23Å; E120-R123 PolarHBondContact OE1-NH2 3.5Å; E120-R123 IonicContact OE2-CZ 3.57Å; E120-R123 IonicContact OE2-NE 3.64Å; E120-R123 PolarHBondContact OE2-NE 3.04Å; E120-R123 IonicContact OE2-NH2 2.98Å; R123-L125 PolarHBondContact O-N 3.23Å; R123-S126 WeakPolarHBondContact O-CB 3.49Å; R123-S126 PolarHBondContact O-N 3.33Å; R123-S126 VanDerWaalsContact O-N 3.1Å; R123-T127 PolarHBondContact O-N 2.81Å; R123-T127 VanDerWaalsContact O-N 3.13Å; R123-T127 PolarHBondContact O-OG1 3.29Å |
| 124 | F | 94.7 | Very high | 91.9 | Very high | 121 Ų | 121 | 83.2 Ų | 83.2 | 53% | 0.531 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -57.7 | -47.9 | 178.9 | 178.7 | -102 | 0 | 0 | 0 | 111.9 | E120 V121 S126 T127 C128 | E120-F124 WeakPolarHBondContact O-CB 3.2Å; E120-F124 PolarHBondContact O-N 2.83Å; V121-F124 PolarHBondContact O-N 3.23Å; F124-S126 PolarHBondContact O-N 3.44Å; F124-T127 PolarHBondContact O-N 2.95Å; F124-T127 VanDerWaalsContact O-N 3.15Å; F124-T127 PolarHBondContact O-OG1 2.8Å; F124-C128 VanDerWaalsContact CE1-SG 3.53Å; F124-C128 VanDerWaalsContact CE2-SG 3.53Å; F124-C128 WeakPolarHBondContact CZ-SG 3.25Å; F124-C128 WeakPolarHBondContact O-CB 3.46Å; F124-C128 PolarHBondContact O-N 3.37Å; F124-C128 PolarHBondContact O-SG 3.42Å |
| 125 | L | 93.1 | Very high | 91.8 | Very high | 13 Ų | 13 | 85.6 Ų | 85.6 | 7% | 0.068 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -67.1 | -20.9 | 178.7 | -69 | 171.9 | 0 | 0 | 0 | 113.8 | V121 R123 V131 R136 L139 L140 | V121-L125 HydrophobicContact CG1-CD1 3.7Å; V121-L125 HydrophobicContact CG1-CG 4.29Å; V121-L125 WeakPolarHBondContact O-CB 3.4Å; V121-L125 WeakPolarHBondContact O-CG 3.45Å; V121-L125 PolarHBondContact O-N 2.98Å; R123-L125 PolarHBondContact O-N 3.23Å; L125-V131 HydrophobicContact CD2-CG1 4.19Å; L125-R136 HydrophobicContact CB-CG 4.03Å; L125-R136 HydrophobicContact CD1-CG 4.05Å; L125-R136 PolarHBondContact O-NE 3.01Å; L125-R136 PolarHBondContact O-NH2 3.2Å; L125-L139 HydrophobicContact CD1-CD2 3.87Å; L125-L140 HydrophobicContact CD1-CD2 4.25Å; L125-L140 HydrophobicContact CD1-CG 4.34Å |
| 126 | S | 88.6 | Confident | 91.7 | Very high | 89 Ų | 89 | 86.3 Ų | 86.3 | 62% | 0.622 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -79.8 | -31.9 | 174.9 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | T122 R123 F124 | T122-S126 WeakPolarHBondContact O-CB 3.31Å; T122-S126 PolarHBondContact O-N 3.06Å; T122-S126 VanDerWaalsContact O-N 3.11Å; T122-S126 PolarHBondContact O-OG 3.01Å; R123-S126 WeakPolarHBondContact O-CB 3.49Å; R123-S126 PolarHBondContact O-N 3.33Å; R123-S126 VanDerWaalsContact O-N 3.1Å; F124-S126 PolarHBondContact O-N 3.44Å |
| 127 | T | 89.9 | Confident | 91.6 | Very high | 100 Ų | 100 | 84 Ų | 84 | 61% | 0.613 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -89.2 | -19 | 177.6 | 51.7 | 0 | 0 | 0 | 0 | 113.8 | R123 F124 E129 | R123-T127 PolarHBondContact O-N 2.81Å; R123-T127 VanDerWaalsContact O-N 3.13Å; R123-T127 PolarHBondContact O-OG1 3.29Å; F124-T127 PolarHBondContact O-N 2.95Å; F124-T127 VanDerWaalsContact O-N 3.15Å; F124-T127 PolarHBondContact O-OG1 2.8Å; T127-E129 PolarHBondContact O-N 3.38Å |
| 128 | C | 86.2 | Confident | 91.6 | Very high | 34 Ų | 34 | 88.6 Ų | 88.6 | 23% | 0.23 | 47% | 0.474 | C | S | . | . | trans | -80.9 | 109 | 177.6 | -79.7 | 0 | 0 | 0 | 0 | 111.9 | F124 V131 | F124-C128 VanDerWaalsContact CE1-SG 3.53Å; F124-C128 VanDerWaalsContact CE2-SG 3.53Å; F124-C128 WeakPolarHBondContact CZ-SG 3.25Å; F124-C128 WeakPolarHBondContact O-CB 3.46Å; F124-C128 PolarHBondContact O-N 3.37Å; F124-C128 PolarHBondContact O-SG 3.42Å; C128-V131 HydrophobicContact CB-CG2 4.07Å | ||
| 129 | E | 82.9 | Confident | 91.6 | Very high | 196 Ų | 196 | 90 Ų | 90 | 92% | 0.916 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | 138.6 | 166.9 | -60.3 | -166.2 | 138.6 | 0 | 0 | 110.5 | T127 | T127-E129 PolarHBondContact O-N 3.38Š|
| 130 | G | 82.3 | Confident | 91.5 | Very high | 84 Ų | 84 | 87.6 Ų | 87.6 | 87% | 0.866 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99 | -6.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 131 | V | 86 | Confident | 91.5 | Very high | 49 Ų | 49 | 85.2 Ų | 85.2 | 30% | 0.297 | 47% | 0.469 | S | S | . | . | trans | -81.4 | 126.9 | 171.4 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | L125 C128 T133 R136 | L125-V131 HydrophobicContact CD2-CG1 4.19Å; C128-V131 HydrophobicContact CB-CG2 4.07Å; V131-T133 PolarHBondContact O-N 3.38Å; V131-R136 PolarHBondContact O-NH2 3.25Å | ||
| 132 | N | 90.8 | Very high | 91.5 | Very high | 105 Ų | 105 | 88.9 Ų | 88.9 | 56% | 0.561 | 48% | 0.483 | S | S | * | . | trans | -59.7 | 130.8 | 178.2 | -172.1 | -59.2 | 0 | 0 | 0 | 111.4 | E134 V135 R136 | N132-E134 VanDerWaalsContact C-N 3.26Å; N132-E134 PolarHBondContact O-N 3.48Å; N132-E134 WeakPolarHBondContact OD1-CB 3.26Å; N132-E134 PolarHBondContact OD1-N 3.27Å; N132-V135 HydrophobicContact CB-CB 4.47Å; N132-V135 HydrophobicContact CB-CG2 4.12Å; N132-V135 PolarHBondContact O-N 3.14Å; N132-V135 VanDerWaalsContact O-N 3.1Å; N132-R136 PolarHBondContact O-N 2.78Å; N132-R136 VanDerWaalsContact O-N 3.09Å | ||
| 133 | T | 89.6 | Confident | 91.6 | Very high | 93 Ų | 93 | 87.9 Ų | 87.9 | 57% | 0.571 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -58.6 | -35.6 | -177.9 | -50.9 | 0 | 0 | 0 | 0 | 113.1 | V131 V135 R136 T137 | V131-T133 PolarHBondContact O-N 3.38Å; T133-V135 PolarHBondContact O-N 3.29Å; T133-R136 PolarHBondContact O-N 3.3Å; T133-T137 PolarHBondContact O-N 2.99Å; T133-T137 PolarHBondContact O-OG1 3.45Å |
| 134 | E | 92.9 | Very high | 91.5 | Very high | 108 Ų | 108 | 83 Ų | 83 | 51% | 0.505 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 176.3 | -169.4 | 89.2 | -163.9 | 0 | 0 | 111.2 | N132 T137 R138 | N132-E134 VanDerWaalsContact C-N 3.26Å; N132-E134 PolarHBondContact O-N 3.48Å; N132-E134 WeakPolarHBondContact OD1-CB 3.26Å; N132-E134 PolarHBondContact OD1-N 3.27Å; E134-T137 PolarHBondContact O-N 3.42Å; E134-R138 VanDerWaalsContact O-CG 3.32Å; E134-R138 WeakPolarHBondContact O-CG 3.22Å; E134-R138 PolarHBondContact O-N 3.31Å; E134-R138 IonicContact OE1-CZ 2.8Å; E134-R138 IonicContact OE1-NE 3.97Å; E134-R138 IonicContact OE1-NH2 2.82Å; E134-R138 PolarHBondContact OE1-NH2 3.41Å |
| 135 | V | 93 | Very high | 91.4 | Very high | 86 Ų | 86 | 81 Ų | 81 | 52% | 0.521 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.7 | -41.2 | -179.4 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | N132 T133 T137 R138 L139 | N132-V135 HydrophobicContact CB-CB 4.47Å; N132-V135 HydrophobicContact CB-CG2 4.12Å; N132-V135 PolarHBondContact O-N 3.14Å; N132-V135 VanDerWaalsContact O-N 3.1Å; T133-V135 PolarHBondContact O-N 3.29Å; V135-T137 PolarHBondContact O-N 3.06Å; V135-R138 PolarHBondContact O-N 3.39Å; V135-L139 WeakPolarHBondContact O-CB 3.42Å; V135-L139 PolarHBondContact O-N 2.98Å |
| 136 | R | 91.8 | Very high | 91.3 | Very high | 55 Ų | 55 | 82.1 Ų | 82.1 | 21% | 0.208 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -56.1 | -50.6 | 174.2 | -176.2 | -174.6 | -63.6 | 108.2 | 0.3 | 110.9 | L125 V131 N132 T133 L139 L140 | L125-R136 HydrophobicContact CB-CG 4.03Å; L125-R136 HydrophobicContact CD1-CG 4.05Å; L125-R136 PolarHBondContact O-NE 3.01Å; L125-R136 PolarHBondContact O-NH2 3.2Å; V131-R136 PolarHBondContact O-NH2 3.25Å; N132-R136 PolarHBondContact O-N 2.78Å; N132-R136 VanDerWaalsContact O-N 3.09Å; T133-R136 PolarHBondContact O-N 3.3Å; R136-L139 PolarHBondContact O-N 3.23Å; R136-L140 HydrophobicContact CG-CD1 4.13Å; R136-L140 WeakPolarHBondContact O-CG 3.22Å; R136-L140 PolarHBondContact O-N 2.97Å |
| 137 | T | 93.3 | Very high | 91.4 | Very high | 92 Ų | 92 | 78.9 Ų | 78.9 | 56% | 0.564 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -64.5 | -42.2 | -179.2 | -52 | 0 | 0 | 0 | 0 | 111.9 | T133 E134 V135 G141 | T133-T137 PolarHBondContact O-N 2.99Å; T133-T137 PolarHBondContact O-OG1 3.45Å; E134-T137 PolarHBondContact O-N 3.42Å; V135-T137 PolarHBondContact O-N 3.06Å; T137-G141 PolarHBondContact O-N 3.12Å |
| 138 | R | 96.1 | Very high | 91.3 | Very high | 171 Ų | 171 | 78.8 Ų | 78.8 | 65% | 0.645 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.5 | -43 | 177.3 | -72.7 | 179.1 | -169.1 | -174.2 | 5.8 | 112.3 | E134 V135 H142 | E134-R138 VanDerWaalsContact O-CG 3.32Å; E134-R138 WeakPolarHBondContact O-CG 3.22Å; E134-R138 PolarHBondContact O-N 3.31Å; E134-R138 IonicContact OE1-CZ 2.8Å; E134-R138 IonicContact OE1-NE 3.97Å; E134-R138 IonicContact OE1-NH2 2.82Å; E134-R138 PolarHBondContact OE1-NH2 3.41Å; V135-R138 PolarHBondContact O-N 3.39Å; R138-H142 WeakPolarHBondContact O-CB 3.48Å; R138-H142 PolarHBondContact O-N 2.94Å |
| 139 | L | 95.2 | Very high | 91.2 | Very high | 69 Ų | 69 | 83.6 Ų | 83.6 | 36% | 0.361 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.9 | -48.7 | 178.9 | 177.6 | 58.3 | 0 | 0 | 0 | 111.5 | V121 L125 V135 R136 G141 H142 L143 | V121-L139 HydrophobicContact CG1-CD2 4.21Å; L125-L139 HydrophobicContact CD1-CD2 3.87Å; V135-L139 WeakPolarHBondContact O-CB 3.42Å; V135-L139 PolarHBondContact O-N 2.98Å; R136-L139 PolarHBondContact O-N 3.23Å; L139-G141 VanDerWaalsContact C-N 3.35Å; L139-G141 PolarHBondContact O-N 3Å; L139-H142 PolarHBondContact O-N 3Å; L139-L143 HydrophobicContact CD1-CD1 4.32Å; L139-L143 HydrophobicContact CD1-CG 4.41Å; L139-L143 HydrophobicContact CG-CD1 4.31Å; L139-L143 WeakPolarHBondContact O-CG 3.39Å; L139-L143 PolarHBondContact O-N 3.01Å |
| 140 | L | 94.8 | Very high | 91.3 | Very high | 45 Ų | 45 | 75.3 Ų | 75.3 | 24% | 0.236 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 178.2 | -66.8 | 179 | 0 | 0 | 0 | 111.9 | V121 T122 L125 R136 H142 L143 A144 | V121-L140 HydrophobicContact CG1-CD2 4.37Å; T122-L140 HydrophobicContact CG2-CD1 4.31Å; T122-L140 VanDerWaalsContact OG1-CD2 3.25Å; T122-L140 WeakPolarHBondContact OG1-CD2 3.26Å; L125-L140 HydrophobicContact CD1-CD2 4.25Å; L125-L140 HydrophobicContact CD1-CG 4.34Å; R136-L140 HydrophobicContact CG-CD1 4.13Å; R136-L140 WeakPolarHBondContact O-CG 3.22Å; R136-L140 PolarHBondContact O-N 2.97Å; L140-H142 VanDerWaalsContact C-N 3.33Å; L140-H142 PolarHBondContact O-N 3.43Å; L140-L143 PolarHBondContact O-N 3.43Å; L140-A144 WeakPolarHBondContact O-CB 3.44Å; L140-A144 PolarHBondContact O-N 3.39Å |
| 141 | G | 95 | Very high | 91.2 | Very high | 42 Ų | 42 | 74.3 Ų | 74.3 | 43% | 0.433 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.8 | -40 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T137 L139 A144 S145 | T137-G141 PolarHBondContact O-N 3.12Å; L139-G141 VanDerWaalsContact C-N 3.35Å; L139-G141 PolarHBondContact O-N 3Å; G141-A144 PolarHBondContact O-N 3.48Å; G141-S145 PolarHBondContact O-N 3.5Å |
| 142 | H | 96.3 | Very high | 90.6 | Very high | 117 Ų | 117 | 75.2 Ų | 75.2 | 54% | 0.542 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.8 | -46.3 | 175.4 | -178.6 | 64.6 | 0 | 0 | 0 | 112.1 | R138 L139 L140 A144 S145 C146 | R138-H142 WeakPolarHBondContact O-CB 3.48Å; R138-H142 PolarHBondContact O-N 2.94Å; L139-H142 PolarHBondContact O-N 3Å; L140-H142 VanDerWaalsContact C-N 3.33Å; L140-H142 PolarHBondContact O-N 3.43Å; H142-A144 VanDerWaalsContact C-N 3.33Å; H142-A144 PolarHBondContact O-N 3.08Å; H142-S145 WeakPolarHBondContact O-CB 3.49Å; H142-S145 PolarHBondContact O-N 2.99Å; H142-C146 PolarHBondContact O-N 3.4Å |
| 143 | L | 95.4 | Very high | 89.4 | Confident | 28 Ų | 28 | 76.6 Ų | 76.6 | 15% | 0.147 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.7 | -40.7 | 177.3 | -69.5 | 170.9 | 0 | 0 | 0 | 112 | F114 M118 V121 L139 L140 C146 M147 | F114-L143 WeakPolarHBondContact CE1-O 3.41Å; F114-L143 HydrophobicContact CZ-CD2 4.01Å; M118-L143 HydrophobicContact CG-CB 4.03Å; M118-L143 HydrophobicContact CG-CD1 4.35Å; M118-L143 HydrophobicContact SD-CB 4.18Å; V121-L143 HydrophobicContact CB-CD1 4.3Å; V121-L143 HydrophobicContact CG1-CD1 3.9Å; L139-L143 HydrophobicContact CD1-CD1 4.32Å; L139-L143 HydrophobicContact CD1-CG 4.41Å; L139-L143 HydrophobicContact CG-CD1 4.31Å; L139-L143 WeakPolarHBondContact O-CG 3.39Å; L139-L143 PolarHBondContact O-N 3.01Å; L140-L143 PolarHBondContact O-N 3.43Å; L143-C146 PolarHBondContact O-N 2.99Å; L143-M147 PolarHBondContact O-N 3.02Å |
| 144 | A | 92.6 | Very high | 88.1 | Confident | 45 Ų | 45 | 76.9 Ų | 76.9 | 37% | 0.372 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L140 G141 H142 M147 T148 | L140-A144 WeakPolarHBondContact O-CB 3.44Å; L140-A144 PolarHBondContact O-N 3.39Å; G141-A144 PolarHBondContact O-N 3.48Å; H142-A144 VanDerWaalsContact C-N 3.33Å; H142-A144 PolarHBondContact O-N 3.08Å; A144-M147 WeakPolarHBondContact O-CB 3.34Å; A144-M147 PolarHBondContact O-N 3.42Å; A144-T148 PolarHBondContact O-N 3.35Å; A144-T148 VanDerWaalsContact O-N 3.07Å; A144-T148 PolarHBondContact O-OG1 2.85Å |
| 145 | S | 93.3 | Very high | 86 | Confident | 80 Ų | 80 | 81 Ų | 81 | 56% | 0.559 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.3 | -42.8 | 175.9 | -174.9 | 0 | 0 | 0 | 0 | 112.3 | G141 H142 M147 T148 Q149 | G141-S145 PolarHBondContact O-N 3.5Å; H142-S145 WeakPolarHBondContact O-CB 3.49Å; H142-S145 PolarHBondContact O-N 2.99Å; S145-M147 VanDerWaalsContact C-N 3.32Å; S145-M147 PolarHBondContact O-N 2.88Å; S145-T148 PolarHBondContact O-N 3Å; S145-Q149 PolarHBondContact O-N 3.43Å |
| 146 | C | 92.3 | Very high | 83.8 | Confident | 36 Ų | 36 | 80.5 Ų | 80.5 | 24% | 0.243 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -58.2 | -43.5 | 172.9 | -85.7 | 0 | 0 | 0 | 0 | 111.8 | F114 H142 L143 T148 Q149 I150 | F114-C146 HydrophobicContact CE2-CB 4.46Å; F114-C146 HydrophobicContact CZ-CB 3.8Å; H142-C146 PolarHBondContact O-N 3.4Å; L143-C146 PolarHBondContact O-N 2.99Å; C146-T148 VanDerWaalsContact C-N 3.35Å; C146-T148 PolarHBondContact O-N 3.45Å; C146-Q149 PolarHBondContact O-N 3.21Å; C146-I150 WeakPolarHBondContact O-CD1 3.44Å; C146-I150 VanDerWaalsContact O-CG1 3.28Å; C146-I150 WeakPolarHBondContact O-CG1 3.48Å; C146-I150 PolarHBondContact O-N 3.4Å |
| 147 | M | 89.3 | Confident | 81.3 | Confident | 21 Ų | 21 | 82.1 Ų | 82.1 | 10% | 0.103 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -59.4 | -44.5 | 175.7 | -175.8 | 62.4 | 108.3 | 0 | 0 | 111.4 | R111 F114 L143 A144 S145 Q149 I150 N151 | R111-M147 HydrophobicContact CG-CE 4.23Å; R111-M147 HydrophobicContact CG-SD 3.93Å; F114-M147 HydrophobicContact CD1-CB 4.26Å; F114-M147 HydrophobicContact CD1-CE 3.83Å; F114-M147 HydrophobicContact CD1-SD 3.94Å; F114-M147 HydrophobicContact CE1-CB 3.96Å; L143-M147 PolarHBondContact O-N 3.02Å; A144-M147 WeakPolarHBondContact O-CB 3.34Å; A144-M147 PolarHBondContact O-N 3.42Å; S145-M147 VanDerWaalsContact C-N 3.32Å; S145-M147 PolarHBondContact O-N 2.88Å; M147-Q149 VanDerWaalsContact C-N 3.32Å; M147-Q149 PolarHBondContact O-N 3.41Å; M147-I150 PolarHBondContact O-N 3.37Å; M147-N151 PolarHBondContact O-N 3.03Å; M147-N151 PolarHBondContact O-ND2 3.3Å |
| 148 | T | 87.6 | Confident | 78.6 | Confident | 99 Ų | 99 | 85.9 Ų | 85.9 | 61% | 0.607 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61.2 | -39.9 | 176.9 | -54.4 | 0 | 0 | 0 | 0 | 112.1 | A144 S145 C146 N151 A152 | A144-T148 PolarHBondContact O-N 3.35Å; A144-T148 VanDerWaalsContact O-N 3.07Å; A144-T148 PolarHBondContact O-OG1 2.85Å; S145-T148 PolarHBondContact O-N 3Å; C146-T148 VanDerWaalsContact C-N 3.35Å; C146-T148 PolarHBondContact O-N 3.45Å; T148-N151 PolarHBondContact O-N 3.27Å; T148-A152 PolarHBondContact O-N 3.46Å |
| 149 | Q | 85.4 | Confident | 76.1 | Confident | 134 Ų | 134 | 85.2 Ų | 85.2 | 63% | 0.626 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.7 | -42 | 176.2 | -174.9 | 179.7 | 74.6 | 0 | 0 | 112.3 | S145 C146 M147 N151 A152 M153 | S145-Q149 PolarHBondContact O-N 3.43Å; C146-Q149 PolarHBondContact O-N 3.21Å; M147-Q149 VanDerWaalsContact C-N 3.32Å; M147-Q149 PolarHBondContact O-N 3.41Å; Q149-N151 VanDerWaalsContact C-N 3.26Å; Q149-N151 PolarHBondContact O-N 3.09Å; Q149-A152 PolarHBondContact O-N 2.94Å; Q149-M153 PolarHBondContact O-N 3.47Å; Q149-M153 VanDerWaalsContact O-N 3.17Å |
| 150 | I | 83.9 | Confident | 73.2 | Confident | 23 Ų | 23 | 90.1 Ų | 90.1 | 12% | 0.118 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -60.5 | -38.4 | 175.5 | -66.3 | 159.7 | 0 | 0 | 0 | 110.7 | L107 Y110 F114 C146 M147 | L107-I150 HydrophobicContact CD1-CG2 4.37Å; Y110-I150 HydrophobicContact CD1-CG2 4.18Å; Y110-I150 HydrophobicContact CE1-CD1 3.68Å; Y110-I150 HydrophobicContact CE1-CG1 4.1Å; Y110-I150 HydrophobicContact CE1-CG2 4.21Å; F114-I150 HydrophobicContact CD1-CD1 4.38Å; F114-I150 HydrophobicContact CD2-CD1 4.06Å; F114-I150 HydrophobicContact CE2-CD1 4.25Å; F114-I150 HydrophobicContact CG-CD1 4.13Å; C146-I150 WeakPolarHBondContact O-CD1 3.44Å; C146-I150 VanDerWaalsContact O-CG1 3.28Å; C146-I150 WeakPolarHBondContact O-CG1 3.48Å; C146-I150 PolarHBondContact O-N 3.4Å; M147-I150 PolarHBondContact O-N 3.37Å |
| 151 | N | 79.8 | Confident | 70.4 | Confident | 63 Ų | 63 | 96.3 Ų | 96.3 | 34% | 0.337 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.1 | -37.7 | 175.5 | -73.9 | -80.2 | 0 | 0 | 0 | 112.6 | R111 M147 T148 Q149 M153 N154 | R111-N151 PolarHBondContact NE-OD1 3.02Å; R111-N151 PolarHBondContact NH2-OD1 3.32Å; M147-N151 PolarHBondContact O-N 3.03Å; M147-N151 PolarHBondContact O-ND2 3.3Å; T148-N151 PolarHBondContact O-N 3.27Å; Q149-N151 VanDerWaalsContact C-N 3.26Å; Q149-N151 PolarHBondContact O-N 3.09Å; N151-M153 VanDerWaalsContact C-N 3.28Å; N151-M153 PolarHBondContact O-N 3.04Å; N151-N154 WeakPolarHBondContact O-CB 3.24Å; N151-N154 PolarHBondContact O-N 2.89Å |
| 152 | A | 74.7 | Confident | 67.5 | Low | 67 Ų | 67 | 101.6 Ų | 101.6 | 55% | 0.554 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.1 | -28.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | T148 Q149 N154 Y155 | T148-A152 PolarHBondContact O-N 3.46Å; Q149-A152 PolarHBondContact O-N 2.94Å; A152-N154 PolarHBondContact O-N 3.27Å; A152-Y155 PolarHBondContact O-N 3.1Å |
| 153 | M | 64.9 | Low | 64.9 | Low | 135 Ų | 135 | 104.4 Ų | 104.4 | 67% | 0.665 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -16.6 | 176.5 | -155.4 | 96 | 87.7 | 0 | 0 | 113.3 | Q149 N151 | Q149-M153 PolarHBondContact O-N 3.47Å; Q149-M153 VanDerWaalsContact O-N 3.17Å; N151-M153 VanDerWaalsContact C-N 3.28Å; N151-M153 PolarHBondContact O-N 3.04Å |
| 154 | N | 62.2 | Low | 62 | Low | 99 Ų | 99 | 110.9 Ų | 110.9 | 53% | 0.529 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.4 | -16.9 | -178.7 | -158 | -41.6 | 0 | 0 | 0 | 113 | L107 N151 A152 P156 | L107-N154 HydrophobicContact CD2-CB 4.33Å; N151-N154 WeakPolarHBondContact O-CB 3.24Å; N151-N154 PolarHBondContact O-N 2.89Å; A152-N154 PolarHBondContact O-N 3.27Å; N154-P156 WeakPolarHBondContact O-CD 3.37Å |
| 155 | Y | 49.5 | Very low | 59.6 | Low | 194 Ų | 194 | 116.6 Ų | 116.6 | 76% | 0.761 | 60% | 0.596 | S | S | * | * | trans | -98.4 | 96.8 | 173 | -109.3 | -94.3 | 0 | 0 | 0 | 109.9 | A152 S157 | A152-Y155 PolarHBondContact O-N 3.1Å; Y155-S157 VanDerWaalsContact C-N 3.31Å; Y155-S157 PolarHBondContact O-N 2.74Å | ||
| 156 | P | 46.1 | Very low | 57.4 | Low | 75 Ų | 75 | 118.2 Ų | 118.2 | 49% | 0.487 | 61% | 0.605 | S | S | . | * | trans | -61.8 | 108.5 | 154.3 | 27.9 | -29 | 0 | 0 | 0 | 105.3 | N154 Q158 | N154-P156 WeakPolarHBondContact O-CD 3.37Å; P156-Q158 VanDerWaalsContact C-N 3.3Å; P156-Q158 PolarHBondContact O-N 2.9Å | ||
| 157 | S | 40.2 | Very low | 55.3 | Low | 89 Ų | 89 | 122.7 Ų | 122.7 | 62% | 0.622 | 63% | 0.633 | S | S | * | * | trans | -53.9 | 96.5 | 170.6 | -70.7 | 0 | 0 | 0 | 0 | 108.9 | Y155 H159 | Y155-S157 VanDerWaalsContact C-N 3.31Å; Y155-S157 PolarHBondContact O-N 2.74Å; S157-H159 PolarHBondContact O-N 3.43Å | ||
| 158 | Q | 36.5 | Very low | 53 | Low | 172 Ų | 172 | 126.6 Ų | 126.6 | 80% | 0.804 | 67% | 0.669 | S | S | * | * | trans | -71.6 | 59.6 | 156.5 | -74.5 | -74.4 | -1.8 | 0 | 0 | 107.9 | P156 Q160 | P156-Q158 VanDerWaalsContact C-N 3.3Å; P156-Q158 PolarHBondContact O-N 2.9Å; Q158-Q160 PolarHBondContact O-N 2.98Å; Q158-Q160 VanDerWaalsContact O-N 3.07Å | ||
| 159 | H | 42.9 | Very low | 50.8 | Low | 157 Ų | 157 | 127.2 Ų | 127.2 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | trans | -79.6 | 88.5 | 162.1 | -79.1 | -61.2 | 0 | 0 | 0 | 106.8 | S157 H161 | S157-H159 PolarHBondContact O-N 3.43Å; H159-H161 PolarHBondContact O-N 3.2Å | ||
| 160 | Q | 34.1 | Very low | 48.4 | Very low | 172 Ų | 172 | 124.2 Ų | 124.2 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | trans | -45 | 125.2 | 155 | -78.9 | -156.2 | -41.5 | 0 | 0 | 108.4 | Q158 Q162 | Q158-Q160 PolarHBondContact O-N 2.98Å; Q158-Q160 VanDerWaalsContact O-N 3.07Å; Q160-Q162 PolarHBondContact O-N 3.04Å | ||
| 161 | H | 37.4 | Very low | 46.3 | Very low | 174 Ų | 174 | 128.2 Ų | 128.2 | 81% | 0.806 | 72% | 0.719 | S | S | * | * | trans | -65.2 | 87.5 | 163.2 | -83.9 | 57.6 | 0 | 0 | 0 | 108.5 | H159 | H159-H161 PolarHBondContact O-N 3.2Š| ||
| 162 | Q | 34 | Very low | 44.4 | Very low | 154 Ų | 154 | 130.7 Ų | 130.7 | 72% | 0.72 | 74% | 0.737 | S | S | * | * | trans | -89.6 | 108.2 | 155.6 | -136.9 | -167.9 | 4 | 0 | 0 | 107.3 | Q160 Q164 | Q160-Q162 PolarHBondContact O-N 3.04Å; Q162-Q164 PolarHBondContact O-N 2.86Å; Q162-Q164 VanDerWaalsContact O-N 3.11Å | ||
| 163 | H | 40.6 | Very low | 43 | Very low | 176 Ų | 176 | 136.2 Ų | 136.2 | 82% | 0.815 | 75% | 0.751 | S | S | * | * | trans | -62.4 | 107.2 | 170.9 | -78.7 | 73.8 | 0 | 0 | 0 | 108.8 | ||||
| 164 | Q | 35.7 | Very low | 42.2 | Very low | 164 Ų | 164 | 135.9 Ų | 135.9 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | trans | -105.6 | 123.1 | 164.6 | -75.7 | -178.7 | 18.2 | 0 | 0 | 109.2 | Q162 | Q162-Q164 PolarHBondContact O-N 2.86Å; Q162-Q164 VanDerWaalsContact O-N 3.11Å | ||
| 165 | L | 41.7 | Very low | 41 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 155.8 | 169.9 | -77.1 | 131.4 | 0 | 0 | 0 | 110.6 | ||
| 166 | P | 47 | Very low | 40.6 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 150.8 | -173 | 30.9 | -33.5 | 0 | 0 | 0 | 112.8 | ||
| 167 | P | 47.5 | Very low | 40.2 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 133.6 | 175 | 33.6 | -28.8 | 0 | 0 | 0 | 111.1 | ||
| 168 | A | 40.5 | Very low | 40.2 | Very low | 104 Ų | 104 | 143.2 Ų | 143.2 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 150.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 169 | A | 42.6 | Very low | 39.9 | Very low | 112 Ų | 112 | 141.2 Ų | 141.2 | 93% | 0.926 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 153.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 170 | G | 35.7 | Very low | 39.5 | Very low | 71 Ų | 71 | 142.2 Ų | 142.2 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | trans | 175.8 | 86.1 | 167 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 171 | S | 38.8 | Very low | 39.7 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | 34.7 | 126.5 | 146.3 | 58.9 | 0 | 0 | 0 | 0 | 124 | ||||
| 172 | T | 39.4 | Very low | 39.4 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 71% | 0.706 | 82% | 0.819 | S | S | * | * | trans | 63.5 | 116.1 | 133.5 | 58.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 173 | H | 45.3 | Very low | 39.5 | Very low | 183 Ų | 183 | 139.7 Ų | 139.7 | 85% | 0.847 | 82% | 0.819 | S | S | * | * | -178.2 | 141.6 | 121.3 | -85.8 | -69.2 | 0 | 0 | 0 | 109.5 | |||||
| 174 | P | 49.5 | Very low | 39.2 | Very low | 127 Ų | 127 | 137 Ų | 137 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -95.4 | 136.4 | 173.3 | 34.7 | -26.3 | 0 | 0 | 0 | 110.6 | ||||
| 175 | S | 36.9 | Very low | 39 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 88% | 0.881 | 82% | 0.819 | S | S | * | * | trans | -138.3 | 126.1 | 159.4 | -165.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 176 | F | 40.9 | Very low | 38.6 | Very low | 198 Ų | 198 | 132 Ų | 132 | 87% | 0.868 | 82% | 0.815 | S | S | * | * | trans | -75 | 131.6 | 178.6 | -160 | -96 | 0 | 0 | 0 | 109.5 | ||||
| 177 | A | 36.4 | Very low | 38 | Very low | 95 Ų | 95 | 132.2 Ų | 132.2 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -177.1 | 114.5 | 146.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 178 | Q | 40.4 | Very low | 37.8 | Very low | 192 Ų | 192 | 131.3 Ų | 131.3 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | -71.3 | 144.3 | 162.1 | -63.3 | -157.6 | -32.3 | 0 | 0 | 109.4 | ||||
| 179 | S | 31 | Very low | 37.5 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | trans | -113.4 | 120.6 | 164.7 | -145.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 180 | M | 35.1 | Very low | 37 | Very low | 178 Ų | 178 | 136.4 Ų | 136.4 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | -78.9 | 151.3 | -174.3 | 179.2 | -170.6 | -103.2 | 0 | 0 | 111.2 | ||||
| 181 | V | 38 | Very low | 37 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | -46.9 | 136 | 168 | 179.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 182 | Q | 30.1 | Very low | 37.1 | Very low | 185 Ų | 185 | 141.7 Ų | 141.7 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -146.3 | 112.7 | 157.2 | -152.1 | 166.2 | -6.3 | 0 | 0 | 112.6 | ||||
| 183 | I | 36.2 | Very low | 36.8 | Very low | 142 Ų | 142 | 145.6 Ų | 145.6 | 73% | 0.728 | 83% | 0.829 | S | S | * | * | trans | -81.8 | 146.9 | 165.9 | -59.8 | 162.4 | 0 | 0 | 0 | 107.6 | ||||
| 184 | P | 35.4 | Very low | 36.6 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 79% | 0.786 | 83% | 0.828 | S | S | * | * | trans | -124.9 | 129.8 | 137.3 | 7.2 | 13.9 | 0 | 0 | 0 | 112.6 | ||||
| 185 | S | 31.3 | Very low | 36.1 | Very low | 112 Ų | 112 | 143.7 Ų | 143.7 | 78% | 0.783 | 83% | 0.825 | S | S | * | * | trans | -70.7 | 135.3 | 164.4 | 167.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 186 | S | 32.7 | Very low | 36 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 78% | 0.776 | 83% | 0.825 | S | S | * | * | trans | -168.5 | 136.7 | 145.9 | 38.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 187 | S | 34.2 | Very low | 35.6 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | trans | -144.8 | 168.3 | 164.1 | -68.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 188 | P | 43.9 | Very low | 35.4 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 71% | 0.714 | 83% | 0.827 | S | S | * | * | cis | -122.7 | 164 | -34.4 | 34.2 | -18.5 | 0 | 0 | 0 | 111 | ||||
| 189 | Q | 32.8 | Very low | 35.2 | Very low | 192 Ų | 192 | 141.4 Ų | 141.4 | 90% | 0.897 | 83% | 0.828 | S | S | * | * | trans | -136.3 | 128.1 | 164 | -73.3 | -71.8 | -59.7 | 0 | 0 | 110 | ||||
| 190 | V | 34 | Very low | 35.1 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | -84.1 | 140.8 | 179.2 | -82.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 191 | L | 34.5 | Very low | 34.8 | Very low | 176 Ų | 176 | 134.7 Ų | 134.7 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | trans | -156.5 | 144.2 | 143.7 | -86.9 | -175.5 | 0 | 0 | 0 | 110.9 | ||||
| 192 | P | 41.5 | Very low | 34.8 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 74% | 0.74 | 83% | 0.83 | S | S | * | * | trans | -103.9 | 150.8 | -173.9 | 37.6 | -29.3 | 0 | 0 | 0 | 113.3 | ||||
| 193 | M | 33.8 | Very low | 35.7 | Very low | 197 Ų | 197 | 131.6 Ų | 131.6 | 97% | 0.97 | 83% | 0.826 | S | S | * | * | trans | -150.8 | 143.4 | 156 | -110.6 | -174 | 81.2 | 0 | 0 | 113.2 | ||||
| 194 | N | 40.5 | Very low | 36.3 | Very low | 153 Ų | 153 | 131 Ų | 131 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 165.9 | -159.1 | -108.3 | 16.3 | 0 | 0 | 0 | 117.8 | ||
| 195 | P | 38.1 | Very low | 36.4 | Very low | 116 Ų | 116 | 129.7 Ų | 129.7 | 75% | 0.753 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 141.8 | 172.8 | 34.7 | -30.6 | 0 | 0 | 0 | 112.1 | ||
| 196 | A | 34.4 | Very low | 36.4 | Very low | 108 Ų | 108 | 129.6 Ų | 129.6 | 89% | 0.893 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 126.7 | 169 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 197 | S | 32.4 | Very low | 36.4 | Very low | 114 Ų | 114 | 132 Ų | 132 | 80% | 0.797 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 140.3 | -179.2 | -173.3 | 0 | 0 | 0 | 0 | 110 | ||
| 198 | C | 33.4 | Very low | 36.8 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 89% | 0.885 | 83% | 0.832 | S | S | * | * | trans | -133.3 | 120.4 | 159.5 | 52.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 199 | K | 35.6 | Very low | 36.4 | Very low | 211 Ų | 211 | 132.2 Ų | 132.2 | 92% | 0.917 | 83% | 0.834 | S | S | * | * | trans | -86.7 | 152.1 | 173.7 | -88.5 | 179.1 | 167 | -175.5 | 0 | 110.2 | ||||
| 200 | G | 29.3 | Very low | 36.9 | Very low | 84 Ų | 84 | 130.2 Ų | 130.2 | 87% | 0.866 | 83% | 0.83 | S | S | * | * | trans | 143.7 | 113.7 | 132.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 201 | G | 29.1 | Very low | 37.5 | Very low | 83 Ų | 83 | 127.8 Ų | 127.8 | 86% | 0.856 | 82% | 0.823 | S | S | * | * | trans | 139.3 | 95.7 | 149 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 202 | S | 38.3 | Very low | 38.3 | Very low | 120 Ų | 120 | 122 Ų | 122 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -105.8 | 157.4 | 154 | -52.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 203 | P | 47.7 | Very low | 38.8 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | -154.7 | -158.1 | 86.4 | 37.7 | -14.3 | 0 | 0 | 0 | 113.4 | |||||
| 204 | P | 48.4 | Very low | 39.6 | Very low | 129 Ų | 129 | 120 Ų | 120 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | -118.7 | -175.8 | -70.4 | 36.6 | -20 | 0 | 0 | 0 | 113.8 | |||||
| 205 | A | 38.5 | Very low | 40.1 | Very low | 93 Ų | 93 | 122.5 Ų | 122.5 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -75.9 | 151.5 | -163.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 206 | S | 32.1 | Very low | 41 | Very low | 111 Ų | 111 | 120.1 Ų | 120.1 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | 177.5 | 125.8 | 128.1 | 41.4 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 207 | L | 31.4 | Very low | 42.3 | Very low | 162 Ų | 162 | 117.3 Ų | 117.3 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | trans | 74.7 | 154.2 | 151.3 | -68.7 | 163.1 | 0 | 0 | 0 | 120.8 | S209 | L207-S209 PolarHBondContact O-N 3.35Š| ||
| 208 | P | 42.7 | Very low | 43.6 | Very low | 122 Ų | 122 | 116.1 Ų | 116.1 | 79% | 0.792 | 74% | 0.735 | S | S | * | * | trans | -86.4 | 119.1 | -139.4 | 34 | -32 | 0 | 0 | 0 | 111.3 | ||||
| 209 | S | 36.8 | Very low | 45.3 | Very low | 110 Ų | 110 | 114.1 Ų | 114.1 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | trans | -110.7 | 104.4 | 172.4 | -78.3 | 0 | 0 | 0 | 0 | 109.2 | L207 | L207-S209 PolarHBondContact O-N 3.35Š| ||
| 210 | D | 41.5 | Very low | 46.7 | Very low | 150 Ų | 150 | 106.3 Ų | 106.3 | 80% | 0.802 | 68% | 0.681 | S | S | * | * | trans | -54 | 142.1 | 163.6 | -136.3 | -52.3 | 0 | 0 | 0 | 109.6 | T212 | D210-T212 PolarHBondContact O-N 3.16Å; D210-T212 PolarHBondContact O-OG1 2.84Å | ||
| 211 | A | 47.5 | Very low | 48.7 | Very low | 79 Ų | 79 | 105 Ų | 105 | 65% | 0.653 | 66% | 0.656 | S | S | * | * | trans | -57.1 | 96.5 | -151.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | K213 | A211-K213 PolarHBondContact O-N 3.5Š| ||
| 212 | T | 52.3 | Low | 50.1 | Low | 54 Ų | 54 | 105 Ų | 105 | 33% | 0.331 | 64% | 0.64 | S | S | . | * | trans | -90.5 | 84.9 | 170.5 | -36.7 | 0 | 0 | 0 | 0 | 109.3 | D210 V214 Q219 I220 V221 | D210-T212 PolarHBondContact O-N 3.16Å; D210-T212 PolarHBondContact O-OG1 2.84Å; T212-V214 PolarHBondContact O-N 3.5Å; T212-Q219 HydrophobicContact CG2-CG 3.3Å; T212-I220 VanDerWaalsContact CG2-O 3.27Å; T212-I220 WeakPolarHBondContact CG2-O 3.07Å; T212-V221 HydrophobicContact CG2-CG2 4.47Å | ||
| 213 | K | 51.3 | Low | 51.4 | Low | 174 Ų | 174 | 101.1 Ų | 101.1 | 76% | 0.757 | 62% | 0.616 | S | S | * | * | trans | -73.9 | 117.6 | 173.3 | -86.8 | -175 | 174.9 | 179.6 | 0 | 109.6 | A211 | A211-K213 PolarHBondContact O-N 3.5Š| ||
| 214 | V | 51.3 | Low | 51.9 | Low | 96 Ų | 96 | 103.1 Ų | 103.1 | 58% | 0.582 | 63% | 0.626 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.5 | 120.7 | 171.6 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | T212 | T212-V214 PolarHBondContact O-N 3.5Å |
| 215 | Y | 49.5 | Very low | 52.7 | Low | 205 Ų | 205 | 101.6 Ų | 101.6 | 80% | 0.804 | 61% | 0.611 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -119.9 | 121.6 | 171.8 | -162.8 | -94.3 | 0 | 0 | 0 | 108.3 | G217 F218 | Y215-G217 VanDerWaalsContact C-N 3.3Å; Y215-G217 PolarHBondContact O-N 2.82Å; Y215-F218 PolarHBondContact O-N 3.33Å |
| 216 | G | 57.3 | Low | 54 | Low | 67 Ų | 67 | 100 Ų | 100 | 69% | 0.691 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65 | 23.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | F218 | G216-F218 WeakPolarHBondContact O-CD2 3.47Å; G216-F218 WeakPolarHBondContact O-CE2 3.47Å |
| 217 | G | 62.5 | Low | 55.6 | Low | 48 Ų | 48 | 98.6 Ų | 98.6 | 50% | 0.495 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 89.8 | 3.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y215 P233 | Y215-G217 VanDerWaalsContact C-N 3.3Å; Y215-G217 PolarHBondContact O-N 2.82Å; G217-P233 WeakPolarHBondContact O-CD 3.21Å; G217-P233 WeakPolarHBondContact O-CG 3.2Å |
| 218 | F | 58.1 | Low | 57.3 | Low | 90 Ų | 90 | 97.1 Ų | 97.1 | 40% | 0.395 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105 | 137.9 | 175.4 | -56 | -80.7 | 0 | 0 | 0 | 110.5 | Y215 G216 I232 | Y215-F218 PolarHBondContact O-N 3.33Å; G216-F218 WeakPolarHBondContact O-CD2 3.47Å; G216-F218 WeakPolarHBondContact O-CE2 3.47Å; F218-I232 HydrophobicContact CD1-CB 4.25Å; F218-I232 HydrophobicContact CD1-CG1 3.77Å; F218-I232 HydrophobicContact CD1-CG2 4.35Å; F218-I232 HydrophobicContact CE1-CB 4.24Å; F218-I232 HydrophobicContact CE1-CD1 4.36Å; F218-I232 HydrophobicContact CE1-CG1 3.8Å; F218-I232 HydrophobicContact CE1-CG2 3.91Å |
| 219 | Q | 69.1 | Low | 58.6 | Low | 89 Ų | 89 | 92.2 Ų | 92.2 | 42% | 0.416 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 124.2 | 178 | -172.4 | 179.8 | 23.7 | 0 | 0 | 109.2 | T212 V221 L231 | T212-Q219 HydrophobicContact CG2-CG 3.3Å; Q219-V221 HydrophobicContact CG-CG2 4.5Å; Q219-L231 HydrophobicContact CB-CB 4.19Å; Q219-L231 PolarHBondContact N-O 2.9Å; Q219-L231 VanDerWaalsContact N-O 3.14Å; Q219-L231 PolarHBondContact O-N 3.18Å |
| 220 | I | 66.5 | Low | 60.2 | Low | 47 Ų | 47 | 91.2 Ų | 91.2 | 24% | 0.241 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 121.1 | -177.9 | -59.3 | 173.6 | 0 | 0 | 0 | 108.7 | T212 F228 A229 F230 | T212-I220 VanDerWaalsContact CG2-O 3.27Å; T212-I220 WeakPolarHBondContact CG2-O 3.07Å; I220-F228 HydrophobicContact CG2-CB 4.15Å; I220-F228 HydrophobicContact CG2-CD1 4.06Å; I220-A229 WeakPolarHBondContact CA-O 3.45Å; I220-F230 HydrophobicContact CD1-CD1 4.1Å; I220-F230 HydrophobicContact CD1-CE1 3.57Å; I220-F230 HydrophobicContact CD1-CZ 4.41Å; I220-F230 HydrophobicContact CG1-CD1 3.65Å; I220-F230 HydrophobicContact CG1-CE1 3.64Å |
| 221 | V | 71.6 | Confident | 61.4 | Low | 57 Ų | 57 | 87 Ų | 87 | 35% | 0.345 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 127.8 | 179.4 | 178.5 | 0 | 0 | 0 | 0 | 109.6 | T212 Q219 A223 A229 L231 | T212-V221 HydrophobicContact CG2-CG2 4.47Å; Q219-V221 HydrophobicContact CG-CG2 4.5Å; V221-A223 PolarHBondContact O-N 3.2Å; V221-A229 PolarHBondContact N-O 3.15Å; V221-A229 PolarHBondContact O-N 2.96Å; V221-L231 HydrophobicContact CB-CD1 3.99Å; V221-L231 HydrophobicContact CG2-CD1 3.37Å |
| 222 | P | 58 | Low | 62.2 | Low | 81 Ų | 81 | 88.1 Ų | 88.1 | 53% | 0.526 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 127.6 | 172.9 | 27.5 | -30.8 | 0 | 0 | 0 | 110.1 | ||
| 223 | A | 65.8 | Low | 62.2 | Low | 40 Ų | 40 | 89.9 Ų | 89.9 | 33% | 0.331 | 51% | 0.507 | S | S | . | . | trans | -87.6 | 156.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V221 D225 G226 Q227 | V221-A223 PolarHBondContact O-N 3.2Å; A223-D225 VanDerWaalsContact CB-OD1 3.22Å; A223-D225 WeakPolarHBondContact CB-OD1 3.49Å; A223-D225 PolarHBondContact O-N 3.34Å; A223-G226 PolarHBondContact O-N 3.23Å; A223-Q227 WeakPolarHBondContact CB-O 3.42Å; A223-Q227 PolarHBondContact N-O 2.88Å | ||
| 224 | T | 58 | Low | 62.1 | Low | 161 Ų | 161 | 85.8 Ų | 85.8 | 99% | 0.988 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -8.4 | -175.5 | 51.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 225 | D | 65.7 | Low | 62.2 | Low | 97 Ų | 97 | 86.4 Ų | 86.4 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 8 | 177.5 | 67.2 | -15.2 | 0 | 0 | 0 | 113.2 | A223 Q227 | A223-D225 VanDerWaalsContact CB-OD1 3.22Å; A223-D225 WeakPolarHBondContact CB-OD1 3.49Å; A223-D225 PolarHBondContact O-N 3.34Å; D225-Q227 VanDerWaalsContact C-N 3.27Å; D225-Q227 PolarHBondContact O-N 3.34Å; D225-Q227 WeakPolarHBondContact OD1-CB 3.45Å; D225-Q227 PolarHBondContact OD1-N 3.15Å; D225-Q227 VanDerWaalsContact OD1-N 3.09Å; D225-Q227 WeakPolarHBondContact OD2-CG 3.4Å; D225-Q227 PolarHBondContact OD2-NE2 2.79Å |
| 226 | G | 64.7 | Low | 62.1 | Low | 61 Ų | 61 | 80.4 Ų | 80.4 | 63% | 0.629 | 50% | 0.502 | S | S | * | . | S | Bend | trans | 80 | 3.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | A223 | A223-G226 PolarHBondContact O-N 3.23Š|
| 227 | Q | 66 | Low | 61.8 | Low | 81 Ų | 81 | 84.9 Ų | 84.9 | 38% | 0.379 | 50% | 0.503 | S | S | . | . | trans | -83.6 | 154.1 | 171.6 | -60.6 | -170.5 | 55 | 0 | 0 | 111.2 | A223 D225 | A223-Q227 WeakPolarHBondContact CB-O 3.42Å; A223-Q227 PolarHBondContact N-O 2.88Å; D225-Q227 VanDerWaalsContact C-N 3.27Å; D225-Q227 PolarHBondContact O-N 3.34Å; D225-Q227 WeakPolarHBondContact OD1-CB 3.45Å; D225-Q227 PolarHBondContact OD1-N 3.15Å; D225-Q227 VanDerWaalsContact OD1-N 3.09Å; D225-Q227 WeakPolarHBondContact OD2-CG 3.4Å; D225-Q227 PolarHBondContact OD2-NE2 2.79Å | ||
| 228 | F | 68.1 | Low | 60.9 | Low | 130 Ų | 130 | 86.4 Ų | 86.4 | 57% | 0.57 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 126.1 | 176.4 | -62.7 | -83.5 | 0 | 0 | 0 | 109.7 | I220 | I220-F228 HydrophobicContact CG2-CB 4.15Å; I220-F228 HydrophobicContact CG2-CD1 4.06Å |
| 229 | A | 69.1 | Low | 60.3 | Low | 20 Ų | 20 | 88.2 Ų | 88.2 | 17% | 0.165 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 136.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | I220 V221 | I220-A229 WeakPolarHBondContact CA-O 3.45Å; V221-A229 PolarHBondContact N-O 3.15Å; V221-A229 PolarHBondContact O-N 2.96Å |
| 230 | F | 71 | Confident | 59.4 | Low | 88 Ų | 88 | 91.6 Ų | 91.6 | 39% | 0.386 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.4 | 120.7 | 173.2 | -63.3 | -93.4 | 0 | 0 | 0 | 109.4 | I220 | I220-F230 HydrophobicContact CD1-CD1 4.1Å; I220-F230 HydrophobicContact CD1-CE1 3.57Å; I220-F230 HydrophobicContact CD1-CZ 4.41Å; I220-F230 HydrophobicContact CG1-CD1 3.65Å; I220-F230 HydrophobicContact CG1-CE1 3.64Å |
| 231 | L | 65.9 | Low | 58.6 | Low | 61 Ų | 61 | 91.2 Ų | 91.2 | 32% | 0.319 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.2 | 120.3 | 169 | -69.3 | 94.1 | 0 | 0 | 0 | 109.3 | Q219 V221 | Q219-L231 HydrophobicContact CB-CB 4.19Å; Q219-L231 PolarHBondContact N-O 2.9Å; Q219-L231 VanDerWaalsContact N-O 3.14Å; Q219-L231 PolarHBondContact O-N 3.18Å; V221-L231 HydrophobicContact CB-CD1 3.99Å; V221-L231 HydrophobicContact CG2-CD1 3.37Å |
| 232 | I | 65.1 | Low | 57.5 | Low | 104 Ų | 104 | 94 Ų | 94 | 53% | 0.533 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -95.2 | 116.9 | 173.5 | -55.7 | 179.4 | 0 | 0 | 0 | 107.8 | F218 N234 | F218-I232 HydrophobicContact CD1-CB 4.25Å; F218-I232 HydrophobicContact CD1-CG1 3.77Å; F218-I232 HydrophobicContact CD1-CG2 4.35Å; F218-I232 HydrophobicContact CE1-CB 4.24Å; F218-I232 HydrophobicContact CE1-CD1 4.36Å; F218-I232 HydrophobicContact CE1-CG1 3.8Å; F218-I232 HydrophobicContact CE1-CG2 3.91Å; I232-N234 PolarHBondContact O-N 3.23Å; I232-N234 VanDerWaalsContact O-N 3.16Å |
| 233 | P | 50.8 | Low | 57.3 | Low | 90 Ų | 90 | 95.3 Ų | 95.3 | 58% | 0.584 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 117.2 | 173.7 | -18.5 | 30.7 | 0 | 0 | 0 | 109.9 | G217 A235 | G217-P233 WeakPolarHBondContact O-CD 3.21Å; G217-P233 WeakPolarHBondContact O-CG 3.2Å; P233-A235 PolarHBondContact O-N 3.23Å |
| 234 | N | 50.3 | Low | 56.7 | Low | 88 Ų | 88 | 99.9 Ų | 99.9 | 47% | 0.471 | 60% | 0.603 | S | S | . | * | trans | -77.3 | 86.5 | -177.7 | -169.2 | 2.9 | 0 | 0 | 0 | 110.2 | I232 A236 F237 | I232-N234 PolarHBondContact O-N 3.23Å; I232-N234 VanDerWaalsContact O-N 3.16Å; N234-A236 PolarHBondContact O-N 2.93Å; N234-F237 PolarHBondContact OD1-N 3.45Å | ||
| 235 | A | 53.5 | Low | 56.5 | Low | 109 Ų | 109 | 95.1 Ų | 95.1 | 90% | 0.901 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -81 | 8.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | P233 | P233-A235 PolarHBondContact O-N 3.23Š|
| 236 | A | 46.9 | Very low | 56 | Low | 80 Ų | 80 | 94.7 Ų | 94.7 | 66% | 0.661 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -130.6 | -0.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | N234 | N234-A236 PolarHBondContact O-N 2.93Š|
| 237 | F | 50.2 | Low | 55.6 | Low | 160 Ų | 160 | 98.3 Ų | 98.3 | 70% | 0.702 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -133.5 | 138 | 173.4 | -69 | -90.3 | 0 | 0 | 0 | 111.3 | N234 | N234-F237 PolarHBondContact OD1-N 3.45Š|
| 238 | A | 44.2 | Very low | 54.6 | Low | 80 Ų | 80 | 98.1 Ų | 98.1 | 66% | 0.661 | 58% | 0.583 | S | S | * | * | trans | -33.1 | 155.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | N240 G241 | A238-N240 PolarHBondContact O-N 3.26Å; A238-G241 PolarHBondContact O-N 3.3Å | ||
| 239 | P | 46.7 | Very low | 53.4 | Low | 129 Ų | 129 | 98.9 Ų | 98.9 | 84% | 0.838 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | 5.4 | -164.4 | 23.7 | -34.6 | 0 | 0 | 0 | 117.3 | ||
| 240 | N | 48.3 | Very low | 52 | Low | 160 Ų | 160 | 105.4 Ų | 105.4 | 86% | 0.856 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.8 | 25.8 | -177.4 | -66.5 | -42.1 | 0 | 0 | 0 | 113.9 | A238 | A238-N240 PolarHBondContact O-N 3.26Š|
| 241 | G | 51.3 | Low | 50.5 | Low | 38 Ų | 38 | 108.9 Ų | 108.9 | 39% | 0.392 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -81.6 | 145.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A238 V243 | A238-G241 PolarHBondContact O-N 3.3Å; G241-V243 PolarHBondContact O-N 2.96Å |
| 242 | P | 48.3 | Very low | 49.4 | Very low | 117 Ų | 117 | 110.6 Ų | 110.6 | 76% | 0.76 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -66 | 133.7 | 179 | 26.2 | -32.2 | 0 | 0 | 0 | 111.6 | I244 | P242-I244 PolarHBondContact O-N 3.1Š|
| 243 | V | 54.3 | Low | 48.1 | Very low | 107 Ų | 107 | 111.9 Ų | 111.9 | 65% | 0.648 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 122.6 | 173 | 179.2 | 0 | 0 | 0 | 0 | 108.2 | G241 P245 | G241-V243 PolarHBondContact O-N 2.96Å; V243-P245 VanDerWaalsContact O-CD 3.25Å; V243-P245 WeakPolarHBondContact O-CD 2.92Å |
| 244 | I | 52.7 | Low | 47.8 | Very low | 137 Ų | 137 | 113.9 Ų | 113.9 | 70% | 0.703 | 69% | 0.688 | S | S | * | * | trans | -96.7 | 107.4 | 178.5 | -55.6 | 177 | 0 | 0 | 0 | 108.2 | P242 | P242-I244 PolarHBondContact O-N 3.1Š| ||
| 245 | P | 54.1 | Low | 47.2 | Very low | 61 Ų | 61 | 115.6 Ų | 115.6 | 40% | 0.396 | 70% | 0.701 | S | S | . | * | trans | -71.8 | 131.6 | 173.1 | 28.3 | -32 | 0 | 0 | 0 | 110 | V243 Y247 | V243-P245 VanDerWaalsContact O-CD 3.25Å; V243-P245 WeakPolarHBondContact O-CD 2.92Å; P245-Y247 HydrophobicContact CB-CE1 4.41Å; P245-Y247 HydrophobicContact CB-CE2 4.04Å; P245-Y247 HydrophobicContact CG-CE2 4.02Å; P245-Y247 WeakPolarHBondContact CG-OH 3.36Å | ||
| 246 | V | 53.4 | Low | 46.7 | Very low | 87 Ų | 87 | 116.1 Ų | 116.1 | 53% | 0.527 | 70% | 0.695 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.2 | 117.9 | 174.4 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | ||
| 247 | Y | 56.9 | Low | 46.3 | Very low | 137 Ų | 137 | 118.7 Ų | 118.7 | 54% | 0.537 | 70% | 0.702 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.8 | 129.9 | 179.6 | -50.7 | -85.6 | 0 | 0 | 0 | 109.8 | P245 N249 | P245-Y247 HydrophobicContact CB-CE1 4.41Å; P245-Y247 HydrophobicContact CB-CE2 4.04Å; P245-Y247 HydrophobicContact CG-CE2 4.02Å; P245-Y247 WeakPolarHBondContact CG-OH 3.36Å; Y247-N249 PolarHBondContact O-N 3.33Å |
| 248 | A | 45.7 | Very low | 45.7 | Very low | 77 Ų | 77 | 116.9 Ų | 116.9 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | trans | -85.8 | 98.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | N250 | A248-N250 PolarHBondContact O-N 3.34Š| ||
| 249 | N | 43.6 | Very low | 45.2 | Very low | 146 Ų | 146 | 118 Ų | 118 | 78% | 0.781 | 72% | 0.716 | S | S | * | * | trans | -81.4 | 116.6 | -179.5 | -166.2 | 24.5 | 0 | 0 | 0 | 110.9 | Y247 | Y247-N249 PolarHBondContact O-N 3.33Š| ||
| 250 | N | 38.9 | Very low | 44.5 | Very low | 157 Ų | 157 | 116.4 Ų | 116.4 | 84% | 0.84 | 71% | 0.714 | S | S | * | * | trans | -105 | 101.4 | 176.8 | -139.8 | 31.6 | 0 | 0 | 0 | 109.6 | A248 | A248-N250 PolarHBondContact O-N 3.34Š| ||
| 251 | M | 38.5 | Very low | 44 | Very low | 162 Ų | 162 | 115.4 Ų | 115.4 | 80% | 0.798 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 71.3 | 123.3 | 158.2 | -152.6 | 66.3 | 122.5 | 0 | 0 | 119.8 | ||
| 252 | S | 42.9 | Very low | 43.4 | Very low | 96 Ų | 96 | 118.8 Ų | 118.8 | 67% | 0.671 | 73% | 0.731 | S | S | * | * | trans | 66.1 | 98.6 | 151.7 | -62.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 253 | T | 39.3 | Very low | 43.2 | Very low | 132 Ų | 132 | 119.3 Ų | 119.3 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | trans | -177.7 | 144.7 | 133.1 | 30.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 254 | P | 44.3 | Very low | 42.1 | Very low | 131 Ų | 131 | 117.8 Ų | 117.8 | 85% | 0.851 | 74% | 0.74 | S | S | * | * | trans | -91.9 | 125.2 | 176.7 | 33.1 | -26.7 | 0 | 0 | 0 | 111.3 | ||||
| 255 | V | 38.3 | Very low | 41.4 | Very low | 125 Ų | 125 | 116 Ų | 116 | 76% | 0.758 | 75% | 0.746 | S | S | * | * | trans | -137.1 | 142.9 | 173.9 | -165.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 256 | P | 41.6 | Very low | 40.9 | Very low | 120 Ų | 120 | 119.1 Ų | 119.1 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 148.1 | -147.2 | 28.1 | -22 | 0 | 0 | 0 | 114.1 | ||
| 257 | V | 39.3 | Very low | 40.5 | Very low | 133 Ų | 133 | 120.8 Ų | 120.8 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -85 | 131.1 | 174.1 | -166.8 | 0 | 0 | 0 | 0 | 108.8 | ||
| 258 | P | 38.2 | Very low | 39.6 | Very low | 122 Ų | 122 | 118.3 Ų | 118.3 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 139.2 | 171.5 | 10.6 | -0.6 | 0 | 0 | 0 | 110.7 | ||
| 259 | A | 32.5 | Very low | 39.1 | Very low | 103 Ų | 103 | 121.6 Ų | 121.6 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -57 | 127.5 | -168 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 260 | A | 33.2 | Very low | 39.3 | Very low | 97 Ų | 97 | 120.9 Ų | 120.9 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 119.8 | 153.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | S262 | A260-S262 PolarHBondContact O-N 3.01Š|
| 261 | V | 36.4 | Very low | 39.2 | Very low | 138 Ų | 138 | 120.4 Ų | 120.4 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 119.9 | 172.1 | 38.5 | 0 | 0 | 0 | 0 | 110.1 | ||
| 262 | S | 39.2 | Very low | 39.8 | Very low | 109 Ų | 109 | 117.8 Ų | 117.8 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 156.6 | 157.8 | -82.3 | 0 | 0 | 0 | 0 | 109.8 | A260 | A260-S262 PolarHBondContact O-N 3.01Š|
| 263 | P | 43.4 | Very low | 39.9 | Very low | 128 Ų | 128 | 117.9 Ų | 117.9 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | -137.5 | 146.2 | 119.2 | 35.1 | -23 | 0 | 0 | 0 | 109.8 | |||||
| 264 | G | 31.8 | Very low | 40.4 | Very low | 75 Ų | 75 | 123.4 Ų | 123.4 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | cis | 171.7 | 136.7 | 6.9 | 0 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 265 | A | 37.8 | Very low | 40.8 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | -101.4 | 157.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 266 | P | 44.1 | Very low | 41.7 | Very low | 126 Ų | 126 | 126.5 Ų | 126.5 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -106.6 | 132.2 | 146.8 | 31.9 | -21.9 | 0 | 0 | 0 | 110.7 | ||||
| 267 | S | 44.5 | Very low | 42.2 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -61.2 | 145 | 168.8 | -60.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 268 | A | 39.3 | Very low | 42.4 | Very low | 85 Ų | 85 | 130.5 Ų | 130.5 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | 164.2 | 147 | 119.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 269 | N | 33.4 | Very low | 42.6 | Very low | 146 Ų | 146 | 130.9 Ų | 130.9 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | trans | 82 | 103.5 | 154 | -66.6 | -21.4 | 0 | 0 | 0 | 119.8 | D271 | N269-D271 PolarHBondContact O-N 3.34Š| ||
| 270 | T | 48.1 | Very low | 43.1 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | -13.5 | 117.1 | 129.5 | 53.8 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 271 | D | 36.6 | Very low | 43.7 | Very low | 148 Ų | 148 | 134.5 Ų | 134.5 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | -164.6 | 144 | 125.5 | -160 | -117.9 | 0 | 0 | 0 | 111.1 | N269 V273 | N269-D271 PolarHBondContact O-N 3.34Å; D271-V273 PolarHBondContact O-N 3.28Å | |||
| 272 | S | 51.9 | Low | 44.2 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -66.8 | 114.9 | 179.3 | -68.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 273 | V | 44.9 | Very low | 44.5 | Very low | 97 Ų | 97 | 136 Ų | 136 | 59% | 0.588 | 79% | 0.786 | S | S | * | * | trans | -139.1 | 80.7 | 156.7 | 176.1 | 0 | 0 | 0 | 0 | 109 | D271 R275 | D271-V273 PolarHBondContact O-N 3.28Å; V273-R275 HydrophobicContact CG1-CB 4.14Å; V273-R275 HydrophobicContact CG1-CG 3.52Å; V273-R275 PolarHBondContact O-N 2.73Å | ||
| 274 | W | 49.3 | Very low | 44.6 | Very low | 249 Ų | 249 | 136.6 Ų | 136.6 | 94% | 0.943 | 78% | 0.783 | S | S | * | * | trans | -63.1 | 116.3 | 146.2 | -95.2 | 92.2 | 0 | 0 | 0 | 107.3 | ||||
| 275 | R | 53.6 | Low | 45.6 | Very low | 195 Ų | 195 | 141.3 Ų | 141.3 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | trans | -121 | 115.4 | 164.8 | -91 | 176.6 | -164.8 | -87.7 | 1.9 | 108.3 | V273 | V273-R275 HydrophobicContact CG1-CB 4.14Å; V273-R275 HydrophobicContact CG1-CG 3.52Å; V273-R275 PolarHBondContact O-N 2.73Å | ||
| 276 | P | 55.9 | Low | 46.2 | Very low | 125 Ų | 125 | 144.8 Ų | 144.8 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | -67.2 | 135.7 | 168.9 | -10.9 | 26.3 | 0 | 0 | 0 | 109.1 | ||||
| 277 | W | 53 | Low | 46.4 | Very low | 206 Ų | 206 | 146.5 Ų | 146.5 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | trans | -117.5 | 0 | 159 | 41 | -101.3 | 0 | 0 | 0 | 108.8 | E43 | E43-W277 VanDerWaalsContact OE1-CH2 3.24Å; E43-W277 WeakPolarHBondContact OE1-CH2 3.46Å; E43-W277 WeakPolarHBondContact OE1-CZ2 3.48Å; E43-W277 WeakPolarHBondContact OE1-CZ3 3.43Å |
Retrieved 277 of 277 residues in 37.7 ms
(Link to these results)