| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.9 | Very low | 50.6 | Low | 240 Ų | 240 | 127.2 Ų | 127.2 | 100% | 1.182 | 83% | 0.831 | S | S | * | * | 0 | 130.6 | 0 | -60.6 | -173.4 | -177.3 | 0 | 0 | 106.8 | |||||
| 2 | A | 49.5 | Very low | 51.2 | Low | 99 Ų | 99 | 130.7 Ų | 130.7 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | trans | 68.8 | 141.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 3 | S | 48.5 | Very low | 50.9 | Low | 118 Ų | 118 | 128.5 Ų | 128.5 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | cis | -167.9 | 143.2 | -22.9 | -90.2 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 4 | S | 45 | Very low | 50.6 | Low | 105 Ų | 105 | 127.4 Ų | 127.4 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | trans | -64.2 | 158.8 | -175.4 | -36.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 5 | S | 58 | Low | 50.3 | Low | 127 Ų | 127 | 128.1 Ų | 128.1 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | trans | -154.9 | 99.5 | 146.4 | -72.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 6 | S | 48.2 | Very low | 50.1 | Low | 111 Ų | 111 | 128.4 Ų | 128.4 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | -81.2 | 142.9 | 172.5 | -39.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 7 | T | 59.3 | Low | 49.3 | Very low | 133 Ų | 133 | 127.1 Ų | 127.1 | 82% | 0.816 | 83% | 0.826 | S | S | * | * | trans | -126.7 | 105.1 | 162.8 | -37.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 8 | S | 55.3 | Low | 49.1 | Very low | 102 Ų | 102 | 125.7 Ų | 125.7 | 71% | 0.713 | 82% | 0.819 | S | S | * | * | trans | -77.1 | 121.8 | 176.7 | 41.9 | 0 | 0 | 0 | 0 | 110.6 | S10 | S8-S10 PolarHBondContact O-N 3.3Š| ||
| 9 | N | 50.1 | Low | 48.8 | Very low | 165 Ų | 165 | 123.7 Ų | 123.7 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | trans | -88.8 | 97 | 166.1 | -76.6 | -17.5 | 0 | 0 | 0 | 108.8 | ||||
| 10 | S | 49 | Very low | 48.8 | Very low | 109 Ų | 109 | 124.2 Ų | 124.2 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | trans | -137.9 | 127.6 | 171.9 | -65 | 0 | 0 | 0 | 0 | 110.3 | S8 | S8-S10 PolarHBondContact O-N 3.3Š| ||
| 11 | A | 47.7 | Very low | 48.5 | Very low | 90 Ų | 90 | 121.7 Ų | 121.7 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | trans | 67.3 | 99.6 | 154.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 12 | I | 58 | Low | 48.3 | Very low | 169 Ų | 169 | 116.4 Ų | 116.4 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | trans | -141.3 | 87.1 | 134.9 | 38 | 171 | 0 | 0 | 0 | 106.5 | ||||
| 13 | S | 47.3 | Very low | 48.2 | Very low | 103 Ų | 103 | 116.9 Ų | 116.9 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | 62.8 | 93.3 | 91.4 | -67 | 0 | 0 | 0 | 0 | 112.9 | V15 | S13-V15 PolarHBondContact O-N 3.43Š| |||
| 14 | S | 46.2 | Very low | 48.1 | Very low | 112 Ų | 112 | 116.3 Ų | 116.3 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | -25.2 | 116.2 | 144.8 | 48.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 15 | V | 47.2 | Very low | 48.3 | Very low | 138 Ų | 138 | 116.5 Ų | 116.5 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | trans | 168.1 | 78.3 | 142.1 | -84 | 0 | 0 | 0 | 0 | 110.4 | S13 | S13-V15 PolarHBondContact O-N 3.43Š| ||
| 16 | V | 46.6 | Very low | 47.8 | Very low | 133 Ų | 133 | 113.9 Ų | 113.9 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | trans | -142.5 | 90.6 | 143.4 | -80.8 | 0 | 0 | 0 | 0 | 107.6 | S18 | V16-S18 PolarHBondContact O-N 3.13Š| ||
| 17 | A | 36.1 | Very low | 48 | Very low | 107 Ų | 107 | 113.1 Ų | 113.1 | 88% | 0.884 | 76% | 0.762 | S | S | * | * | trans | -62.9 | 84.8 | 154.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | A19 | A17-A19 VanDerWaalsContact C-N 3.34Å; A17-A19 PolarHBondContact O-N 3.14Å; A17-A19 VanDerWaalsContact O-N 3.15Å | ||
| 18 | S | 45.2 | Very low | 48.6 | Very low | 101 Ų | 101 | 111 Ų | 111 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | -75.8 | 98.5 | 161 | -70.5 | 0 | 0 | 0 | 0 | 106.2 | V16 V20 | V16-S18 PolarHBondContact O-N 3.13Å; S18-V20 PolarHBondContact O-N 3.43Å | ||
| 19 | A | 43.2 | Very low | 49.9 | Very low | 89 Ų | 89 | 110 Ų | 110 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | trans | -47.8 | 108.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | A17 A21 | A17-A19 VanDerWaalsContact C-N 3.34Å; A17-A19 PolarHBondContact O-N 3.14Å; A17-A19 VanDerWaalsContact O-N 3.15Å; A19-A21 PolarHBondContact O-N 3.17Å | ||
| 20 | V | 48.9 | Very low | 52 | Low | 132 Ų | 132 | 104.9 Ų | 104.9 | 80% | 0.8 | 74% | 0.735 | S | S | * | * | trans | -64.4 | 90.1 | 154 | 171.5 | 0 | 0 | 0 | 0 | 104.1 | S18 T22 | S18-V20 PolarHBondContact O-N 3.43Å; V20-T22 PolarHBondContact O-N 3.23Å | ||
| 21 | A | 43.5 | Very low | 54.2 | Low | 73 Ų | 73 | 100 Ų | 100 | 60% | 0.603 | 70% | 0.701 | S | S | * | * | trans | -68 | 81.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | A19 T23 | A19-A21 PolarHBondContact O-N 3.17Å; A21-T23 WeakPolarHBondContact CB-OG1 3.41Å; A21-T23 PolarHBondContact O-N 2.9Å | ||
| 22 | T | 41.9 | Very low | 56.5 | Low | 129 Ų | 129 | 95.9 Ų | 95.9 | 79% | 0.791 | 67% | 0.667 | S | S | * | * | trans | -65.8 | 63.3 | 152 | -45.5 | 0 | 0 | 0 | 0 | 106.7 | V20 T24 | V20-T22 PolarHBondContact O-N 3.23Å; T22-T24 PolarHBondContact O-N 3.44Å; T22-T24 VanDerWaalsContact O-N 3.14Å | ||
| 23 | T | 46.1 | Very low | 58.4 | Low | 108 Ų | 108 | 87.9 Ų | 87.9 | 66% | 0.663 | 63% | 0.626 | S | S | * | * | trans | -75.3 | 104.6 | 175.1 | -61 | 0 | 0 | 0 | 0 | 105.5 | A21 P25 | A21-T23 WeakPolarHBondContact CB-OG1 3.41Å; A21-T23 PolarHBondContact O-N 2.9Å; T23-P25 WeakPolarHBondContact O-CD 3.02Å; T23-P25 VanDerWaalsContact O-N 3.13Å | ||
| 24 | T | 47.6 | Very low | 60.7 | Low | 107 Ų | 107 | 83 Ų | 83 | 66% | 0.656 | 59% | 0.592 | S | S | * | * | trans | -37.3 | 118.9 | 157.7 | 20.8 | 0 | 0 | 0 | 0 | 109 | T22 G26 | T22-T24 PolarHBondContact O-N 3.44Å; T22-T24 VanDerWaalsContact O-N 3.14Å; T24-G26 PolarHBondContact O-N 3.28Å | ||
| 25 | P | 48.6 | Very low | 63.1 | Low | 109 Ų | 109 | 84 Ų | 84 | 71% | 0.708 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 81.1 | 176.8 | 26.3 | -31 | 0 | 0 | 0 | 108.3 | T23 | T23-P25 WeakPolarHBondContact O-CD 3.02Å; T23-P25 VanDerWaalsContact O-N 3.13Å |
| 26 | G | 48.5 | Very low | 65.4 | Low | 72 Ų | 72 | 82.2 Ų | 82.2 | 74% | 0.742 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168.3 | -9.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | T24 | T24-G26 PolarHBondContact O-N 3.28Š|
| 27 | A | 52.3 | Low | 67.6 | Low | 94 Ų | 94 | 78.8 Ų | 78.8 | 78% | 0.777 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -129.9 | 84.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 28 | G | 70.6 | Confident | 70.4 | Confident | 89 Ų | 89 | 85 Ų | 85 | 92% | 0.918 | 54% | 0.541 | S | S | * | . | S | Bend | trans | 109.7 | -35.7 | 149.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 29 | S | 83.9 | Confident | 72.8 | Confident | 81 Ų | 81 | 85.9 Ų | 85.9 | 57% | 0.566 | 53% | 0.529 | S | S | * | . | trans | -110.2 | 139.2 | -175.2 | 61.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 30 | P | 93.2 | Very high | 75.2 | Confident | 57 Ų | 57 | 90 Ų | 90 | 37% | 0.37 | 53% | 0.53 | S | S | . | . | trans | -70 | 143.1 | 172 | 29.9 | -33.5 | 0 | 0 | 0 | 110.2 | C34 K35 C41 | P30-C34 HydrophobicContact CB-CB 4.4Å; P30-K35 HydrophobicContact CG-CB 4.29Å; P30-C41 HydrophobicContact CB-CB 3.86Å | ||
| 31 | C | 96 | Very high | 77.4 | Confident | 8 Ų | 8 | 85.3 Ų | 85.3 | 5% | 0.054 | 50% | 0.503 | C | S | . | . | trans | -58.9 | 158.7 | 172.9 | 71.3 | 0 | 0 | 0 | 0 | 111.6 | A33 C34 K35 A48 F51 | C31-A33 PolarHBondContact O-N 2.93Å; C31-A33 VanDerWaalsContact O-N 3.15Å; C31-C34 PolarHBondContact O-N 3.33Å; C31-C34 VanDerWaalsContact O-N 3.12Å; C31-C34 PolarHBondContact SG-N 2.93Å; C31-C34 VanDerWaalsContact SG-SG 3.61Å; C31-K35 WeakPolarHBondContact O-CB 3.45Å; C31-K35 PolarHBondContact O-N 3.48Å; C31-A48 HydrophobicContact CB-CB 4.04Å; C31-F51 WeakPolarHBondContact CB-O 3.48Å | ||
| 32 | A | 96.2 | Very high | 79.8 | Confident | 3 Ų | 3 | 87.4 Ų | 87.4 | 3% | 0.025 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -56 | -36.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F36 F51 P52 F59 | A32-F36 WeakPolarHBondContact O-CB 3.42Å; A32-F36 PolarHBondContact O-N 2.73Å; A32-F51 HydrophobicContact CB-CB 4.23Å; A32-F51 PolarHBondContact N-O 3.45Å; A32-P52 VanDerWaalsContact CB-O 3.3Å; A32-P52 WeakPolarHBondContact CB-O 3.26Å; A32-F59 HydrophobicContact CB-CB 4.31Å |
| 33 | A | 96.6 | Very high | 82.2 | Confident | 0 Ų | 0 | 87.4 Ų | 87.4 | 0% | 0 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -61.7 | -52.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | C31 K35 F36 L37 F47 F51 F59 | C31-A33 PolarHBondContact O-N 2.93Å; C31-A33 VanDerWaalsContact O-N 3.15Å; A33-K35 VanDerWaalsContact C-N 3.31Å; A33-K35 PolarHBondContact O-N 3.48Å; A33-F36 PolarHBondContact O-N 3.46Å; A33-L37 WeakPolarHBondContact O-CB 3.48Å; A33-L37 VanDerWaalsContact O-CD1 3.25Å; A33-L37 WeakPolarHBondContact O-CD1 3.12Å; A33-L37 PolarHBondContact O-N 3.43Å; A33-F47 HydrophobicContact CB-CB 3.44Å; A33-F47 VanDerWaalsContact CB-CB 3.44Å; A33-F47 HydrophobicContact CB-CD1 4.2Å; A33-F47 HydrophobicContact CB-CD2 3.9Å; A33-F47 HydrophobicContact CB-CG 3.6Å; A33-F51 HydrophobicContact CB-CB 4.48Å; A33-F59 HydrophobicContact CB-CD1 4.22Å; A33-F59 HydrophobicContact CB-CD2 3.41Å; A33-F59 VanDerWaalsContact CB-CD2 3.41Å; A33-F59 HydrophobicContact CB-CE1 4.09Å; A33-F59 HydrophobicContact CB-CE2 3.24Å; A33-F59 HydrophobicContact CB-CG 3.9Å; A33-F59 HydrophobicContact CB-CZ 3.61Å |
| 34 | C | 96.8 | Very high | 84.3 | Confident | 2 Ų | 2 | 86 Ų | 86 | 1% | 0.014 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -67.6 | -34.2 | -179.6 | -71.2 | 0 | 0 | 0 | 0 | 111.9 | P30 C31 F36 L37 R38 R39 C41 | P30-C34 HydrophobicContact CB-CB 4.4Å; C31-C34 PolarHBondContact O-N 3.33Å; C31-C34 VanDerWaalsContact O-N 3.12Å; C31-C34 PolarHBondContact SG-N 2.93Å; C31-C34 VanDerWaalsContact SG-SG 3.61Å; C34-F36 VanDerWaalsContact C-N 3.35Å; C34-L37 PolarHBondContact O-N 2.79Å; C34-R38 PolarHBondContact O-N 3.22Å; C34-R39 HydrophobicContact CB-CG 4.22Å; C34-R39 PolarHBondContact O-N 3.32Å; C34-C41 HydrophobicContact CB-CB 3.75Å |
| 35 | K | 95.5 | Very high | 86.5 | Confident | 131 Ų | 131 | 81.7 Ų | 81.7 | 57% | 0.57 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.5 | -43.6 | 172 | -171.1 | 178.2 | 179.8 | -178.9 | 0 | 111.2 | P30 C31 A33 | P30-K35 HydrophobicContact CG-CB 4.29Å; C31-K35 WeakPolarHBondContact O-CB 3.45Å; C31-K35 PolarHBondContact O-N 3.48Å; A33-K35 VanDerWaalsContact C-N 3.31Å; A33-K35 PolarHBondContact O-N 3.48Å |
| 36 | F | 95.3 | Very high | 88.7 | Confident | 102 Ų | 102 | 79 Ų | 79 | 45% | 0.447 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69.4 | -43.8 | 177.4 | -168.8 | -85.9 | 0 | 0 | 0 | 112.7 | A32 A33 C34 R38 F59 A60 H63 | A32-F36 WeakPolarHBondContact O-CB 3.42Å; A32-F36 PolarHBondContact O-N 2.73Å; A33-F36 PolarHBondContact O-N 3.46Å; C34-F36 VanDerWaalsContact C-N 3.35Å; F36-R38 PolarHBondContact O-N 3.41Å; F36-F59 HydrophobicContact CB-CD1 3.64Å; F36-F59 HydrophobicContact CB-CE1 3.87Å; F36-F59 HydrophobicContact CD1-CD1 4.11Å; F36-F59 AromaticContact CD1-CE1 3.87Å; F36-F59 HydrophobicContact CD1-CE1 3.87Å; F36-F59 AromaticContact CG-CD1 3.87Å; F36-F59 HydrophobicContact CG-CD1 3.87Å; F36-F59 HydrophobicContact CG-CE1 4.05Å; F36-A60 HydrophobicContact CD2-CB 4.18Å; F36-A60 HydrophobicContact CE2-CB 3.76Å; F36-H63 HydrophobicContact CE1-CB 4.4Å; F36-H63 AromaticContact CE1-CG 3.92Å; F36-H63 AromaticContact CE1-ND1 3.5Å |
| 37 | L | 94.5 | Very high | 90.9 | Very high | 61 Ų | 61 | 75.7 Ų | 75.7 | 32% | 0.319 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -73.9 | -6 | 179.4 | -90.1 | 72.2 | 0 | 0 | 0 | 113.8 | A33 C34 R39 F59 A68 | A33-L37 WeakPolarHBondContact O-CB 3.48Å; A33-L37 VanDerWaalsContact O-CD1 3.25Å; A33-L37 WeakPolarHBondContact O-CD1 3.12Å; A33-L37 PolarHBondContact O-N 3.43Å; C34-L37 PolarHBondContact O-N 2.79Å; L37-R39 HydrophobicContact CB-CG 4.01Å; L37-R39 PolarHBondContact O-N 3.47Å; L37-F59 HydrophobicContact CD1-CE1 3.3Å; L37-F59 HydrophobicContact CD1-CZ 3.43Å; L37-F59 VanDerWaalsContact CD1-CZ 3.43Å; L37-A68 HydrophobicContact CD1-CB 4.49Å; L37-A68 HydrophobicContact CD2-CB 4.32Å |
| 38 | R | 94.4 | Very high | 92.9 | Very high | 236 Ų | 236 | 72.5 Ų | 72.5 | 89% | 0.891 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 36.1 | -176.5 | -57.8 | 176.6 | 173.8 | -98.9 | 0.4 | 113.4 | C34 F36 | C34-R38 PolarHBondContact O-N 3.22Å; F36-R38 PolarHBondContact O-N 3.41Å |
| 39 | R | 94.6 | Very high | 94.1 | Very high | 120 Ų | 120 | 72.3 Ų | 72.3 | 45% | 0.453 | 39% | 0.39 | S | S | . | . | trans | -117 | 160.6 | 177.8 | 69.5 | 178.1 | -177.2 | 156.3 | -0.2 | 112.1 | C34 L37 C41 F47 | C34-R39 HydrophobicContact CB-CG 4.22Å; C34-R39 PolarHBondContact O-N 3.32Å; L37-R39 HydrophobicContact CB-CG 4.01Å; L37-R39 PolarHBondContact O-N 3.47Å; R39-C41 PolarHBondContact O-N 3.41Å; R39-F47 VanDerWaalsContact NH2-CD2 3.34Å; R39-F47 VanDerWaalsContact NH2-CE2 3.33Å | ||
| 40 | K | 94 | Very high | 94.6 | Very high | 177 Ų | 177 | 70.4 Ų | 70.4 | 77% | 0.77 | 37% | 0.37 | S | S | * | . | trans | -68 | 127.8 | 176.5 | -169.7 | 70.7 | 177.6 | -174.2 | 0 | 110.4 | L42 | K40-L42 HydrophobicContact CG-CD2 4.16Å; K40-L42 PolarHBondContact O-N 3.47Å | ||
| 41 | C | 95.9 | Very high | 94.7 | Very high | 32 Ų | 32 | 67.7 Ų | 67.7 | 22% | 0.216 | 35% | 0.353 | C | S | . | . | trans | -80.2 | 111.8 | 170.5 | -165 | 0 | 0 | 0 | 0 | 109.1 | P30 C34 R39 | P30-C41 HydrophobicContact CB-CB 3.86Å; C34-C41 HydrophobicContact CB-CB 3.75Å; R39-C41 PolarHBondContact O-N 3.41Å | ||
| 42 | L | 94.1 | Very high | 94.7 | Very high | 118 Ų | 118 | 69.3 Ų | 69.3 | 62% | 0.618 | 36% | 0.363 | S | S | * | . | trans | -90 | 154.2 | 177.7 | -62.8 | 179.7 | 0 | 0 | 0 | 111.1 | K40 G44 C45 | K40-L42 HydrophobicContact CG-CD2 4.16Å; K40-L42 PolarHBondContact O-N 3.47Å; L42-G44 PolarHBondContact O-N 3.06Å; L42-C45 WeakPolarHBondContact O-CB 3.37Å; L42-C45 PolarHBondContact O-N 3.49Å; L42-C45 VanDerWaalsContact O-N 3.1Å | ||
| 43 | P | 91 | Very high | 94.5 | Very high | 128 Ų | 128 | 70.9 Ų | 70.9 | 83% | 0.831 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 127.3 | 167.1 | 25.9 | -33.3 | 0 | 0 | 0 | 109.1 | ||
| 44 | G | 91.1 | Very high | 94.4 | Very high | 79 Ų | 79 | 78 Ų | 78 | 81% | 0.814 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.6 | 10.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L42 V46 | L42-G44 PolarHBondContact O-N 3.06Å; G44-V46 PolarHBondContact O-N 3.42Å |
| 45 | C | 94.4 | Very high | 94.2 | Very high | 17 Ų | 17 | 82.2 Ų | 82.2 | 12% | 0.115 | 43% | 0.425 | C | S | . | . | trans | -56.8 | 122.4 | 173.2 | 178.8 | 0 | 0 | 0 | 0 | 111.7 | L42 F47 A48 P49 | L42-C45 WeakPolarHBondContact O-CB 3.37Å; L42-C45 PolarHBondContact O-N 3.49Å; L42-C45 VanDerWaalsContact O-N 3.1Å; C45-F47 PolarHBondContact O-N 3.27Å; C45-F47 VanDerWaalsContact O-N 3.08Å; C45-A48 HydrophobicContact CB-CB 3.93Å; C45-A48 WeakPolarHBondContact O-CB 3.25Å; C45-A48 PolarHBondContact O-N 2.9Å; C45-P49 WeakPolarHBondContact O-CD 3.32Å | ||
| 46 | V | 93.9 | Very high | 94.1 | Very high | 53 Ų | 53 | 79 Ų | 79 | 32% | 0.321 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -24.1 | -179.2 | -59.5 | 0 | 0 | 0 | 0 | 114.1 | G44 Y50 T72 | G44-V46 PolarHBondContact O-N 3.42Å; V46-Y50 VanDerWaalsContact O-CD2 3.28Å; V46-Y50 WeakPolarHBondContact O-CD2 3.26Å; V46-Y50 VanDerWaalsContact O-CE2 3.27Å; V46-Y50 WeakPolarHBondContact O-CE2 3.25Å; V46-T72 HydrophobicContact CG2-CG2 4.21Å |
| 47 | F | 95.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 80.3 Ų | 80.3 | 0% | 0.004 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -20.1 | 179.3 | -63.2 | -68.5 | 0 | 0 | 0 | 113.6 | A33 R39 C45 Y50 F51 F59 A68 V71 T72 | A33-F47 HydrophobicContact CB-CB 3.44Å; A33-F47 VanDerWaalsContact CB-CB 3.44Å; A33-F47 HydrophobicContact CB-CD1 4.2Å; A33-F47 HydrophobicContact CB-CD2 3.9Å; A33-F47 HydrophobicContact CB-CG 3.6Å; R39-F47 VanDerWaalsContact NH2-CD2 3.34Å; R39-F47 VanDerWaalsContact NH2-CE2 3.33Å; C45-F47 PolarHBondContact O-N 3.27Å; C45-F47 VanDerWaalsContact O-N 3.08Å; F47-Y50 PolarHBondContact O-N 3.49Å; F47-F51 HydrophobicContact CB-CD2 4.06Å; F47-F51 AromaticContact CD1-CD2 3.89Å; F47-F51 HydrophobicContact CD1-CD2 3.89Å; F47-F51 AromaticContact CD1-CE2 3.87Å; F47-F51 HydrophobicContact CD1-CE2 3.87Å; F47-F51 HydrophobicContact CG-CD2 4.45Å; F47-F51 PolarHBondContact O-N 3.06Å; F47-F59 HydrophobicContact CD1-CE2 4.08Å; F47-F59 HydrophobicContact CE1-CE2 4.05Å; F47-F59 HydrophobicContact CZ-CE2 4.45Å; F47-A68 HydrophobicContact CZ-CB 4.42Å; F47-V71 HydrophobicContact CE1-CB 4.44Å; F47-V71 HydrophobicContact CE1-CG1 3.99Å; F47-T72 WeakPolarHBondContact CZ-OG1 3.15Å |
| 48 | A | 94.6 | Very high | 94.2 | Very high | 27 Ų | 27 | 79.9 Ų | 79.9 | 22% | 0.223 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -38.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | C31 C45 Y50 | C31-A48 HydrophobicContact CB-CB 4.04Å; C45-A48 HydrophobicContact CB-CB 3.93Å; C45-A48 WeakPolarHBondContact O-CB 3.25Å; C45-A48 PolarHBondContact O-N 2.9Å; A48-Y50 VanDerWaalsContact C-N 3.28Å; A48-Y50 PolarHBondContact O-N 3.22Å |
| 49 | P | 93.9 | Very high | 94.3 | Very high | 86 Ų | 86 | 68.7 Ų | 68.7 | 56% | 0.558 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -26.8 | 177.4 | -22.8 | 34.9 | 0 | 0 | 0 | 114.2 | C45 | C45-P49 WeakPolarHBondContact O-CD 3.32Š|
| 50 | Y | 95.4 | Very high | 94.5 | Very high | 41 Ų | 41 | 64 Ų | 64 | 16% | 0.161 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -19.2 | -167.5 | -44.3 | -69.2 | 0 | 0 | 0 | 114.2 | V46 F47 A48 P52 L75 R83 E84 V87 | V46-Y50 VanDerWaalsContact O-CD2 3.28Å; V46-Y50 WeakPolarHBondContact O-CD2 3.26Å; V46-Y50 VanDerWaalsContact O-CE2 3.27Å; V46-Y50 WeakPolarHBondContact O-CE2 3.25Å; F47-Y50 PolarHBondContact O-N 3.49Å; A48-Y50 VanDerWaalsContact C-N 3.28Å; A48-Y50 PolarHBondContact O-N 3.22Å; Y50-P52 WeakPolarHBondContact O-CD 3.49Å; Y50-L75 HydrophobicContact CD2-CD1 4.29Å; Y50-L75 HydrophobicContact CE2-CD1 4.46Å; Y50-R83 HydrophobicContact CE1-CB 3.75Å; Y50-R83 HydrophobicContact CE2-CB 4.26Å; Y50-R83 VanDerWaalsContact OH-CB 3.26Å; Y50-R83 WeakPolarHBondContact OH-CB 3.3Å; Y50-R83 WeakPolarHBondContact OH-CD 3.42Å; Y50-E84 HydrophobicContact CE1-CB 4.43Å; Y50-V87 HydrophobicContact CD1-CG2 4.43Å; Y50-V87 HydrophobicContact CD2-CG2 4.33Å; Y50-V87 HydrophobicContact CG-CG2 3.94Å |
| 51 | F | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -122.9 | 76.7 | -177.6 | -67.7 | -78 | 0 | 0 | 0 | 110.9 | C31 A32 A33 F47 K58 F59 V62 V87 | C31-F51 WeakPolarHBondContact CB-O 3.48Å; A32-F51 HydrophobicContact CB-CB 4.23Å; A32-F51 PolarHBondContact N-O 3.45Å; A33-F51 HydrophobicContact CB-CB 4.48Å; F47-F51 HydrophobicContact CB-CD2 4.06Å; F47-F51 AromaticContact CD1-CD2 3.89Å; F47-F51 HydrophobicContact CD1-CD2 3.89Å; F47-F51 AromaticContact CD1-CE2 3.87Å; F47-F51 HydrophobicContact CD1-CE2 3.87Å; F47-F51 HydrophobicContact CG-CD2 4.45Å; F47-F51 PolarHBondContact O-N 3.06Å; F51-K58 HydrophobicContact CD1-CG 4.26Å; F51-K58 HydrophobicContact CE1-CG 4.07Å; F51-F59 HydrophobicContact CD1-CB 3.62Å; F51-F59 AromaticContact CD1-CD2 3.75Å; F51-F59 HydrophobicContact CD1-CD2 3.75Å; F51-F59 HydrophobicContact CD1-CG 4.19Å; F51-F59 AromaticContact CD2-CD2 3.98Å; F51-F59 HydrophobicContact CD2-CD2 3.98Å; F51-F59 HydrophobicContact CE1-CB 4Å; F51-F59 AromaticContact CE1-CD2 3.8Å; F51-F59 HydrophobicContact CE1-CD2 3.8Å; F51-F59 HydrophobicContact CE1-CG 4.4Å; F51-F59 HydrophobicContact CE2-CD2 4.04Å; F51-F59 HydrophobicContact CE2-CE2 4.5Å; F51-F59 HydrophobicContact CG-CB 4.26Å; F51-F59 AromaticContact CG-CD2 3.83Å; F51-F59 HydrophobicContact CG-CD2 3.83Å; F51-F59 HydrophobicContact CG-CG 4.5Å; F51-F59 AromaticContact CZ-CD2 3.94Å; F51-F59 HydrophobicContact CZ-CD2 3.94Å; F51-V62 HydrophobicContact CE1-CB 4.5Å; F51-V62 HydrophobicContact CE1-CG2 4.35Å; F51-V62 HydrophobicContact CZ-CB 4.46Å; F51-V62 HydrophobicContact CZ-CG1 4.25Å; F51-V62 HydrophobicContact CZ-CG2 4.44Å; F51-V87 HydrophobicContact CE1-CG1 4.05Å; F51-V87 HydrophobicContact CE2-CG1 3.88Å; F51-V87 HydrophobicContact CE2-CG2 4.32Å; F51-V87 HydrophobicContact CZ-CG1 3.57Å |
| 52 | P | 94.5 | Very high | 94.7 | Very high | 41 Ų | 41 | 55.2 Ų | 55.2 | 27% | 0.266 | 33% | 0.325 | S | S | . | . | trans | -63 | 149 | 178.2 | 28.7 | -35.3 | 0 | 0 | 0 | 111.1 | A32 Y50 E54 E55 | A32-P52 VanDerWaalsContact CB-O 3.3Å; A32-P52 WeakPolarHBondContact CB-O 3.26Å; Y50-P52 WeakPolarHBondContact O-CD 3.49Å; P52-E54 WeakPolarHBondContact CB-OE2 3.36Å; P52-E54 PolarHBondContact O-N 3.19Å; P52-E55 HydrophobicContact CG-CB 4.33Å; P52-E55 HydrophobicContact CG-CG 4.22Å; P52-E55 PolarHBondContact O-N 3.38Å; P52-E55 VanDerWaalsContact O-N 3.15Å | ||
| 53 | P | 93.6 | Very high | 94.9 | Very high | 37 Ų | 37 | 52.8 Ų | 52.8 | 24% | 0.24 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -19.4 | -177.1 | 25 | -32.6 | 0 | 0 | 0 | 114.4 | E55 | P53-E55 VanDerWaalsContact C-N 3.26Å; P53-E55 PolarHBondContact O-N 3.1Å |
| 54 | E | 93.3 | Very high | 95.2 | Very high | 150 Ų | 150 | 54.2 Ų | 54.2 | 70% | 0.701 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -22.9 | 175.9 | -64.9 | 67.9 | -146.4 | 0 | 0 | 112.5 | P52 P56 | P52-E54 WeakPolarHBondContact CB-OE2 3.36Å; P52-E54 PolarHBondContact O-N 3.19Å; E54-P56 WeakPolarHBondContact O-CD 3.47Å |
| 55 | E | 92.9 | Very high | 95.5 | Very high | 89 Ų | 89 | 52.7 Ų | 52.7 | 42% | 0.416 | 28% | 0.278 | S | S | . | . | trans | -115.8 | 61.6 | -175 | -62.4 | -178.4 | 175.9 | 0 | 0 | 112.7 | P52 P53 Q57 K58 | P52-E55 HydrophobicContact CG-CB 4.33Å; P52-E55 HydrophobicContact CG-CG 4.22Å; P52-E55 PolarHBondContact O-N 3.38Å; P52-E55 VanDerWaalsContact O-N 3.15Å; P53-E55 VanDerWaalsContact C-N 3.26Å; P53-E55 PolarHBondContact O-N 3.1Å; E55-Q57 VanDerWaalsContact C-N 3.27Å; E55-Q57 PolarHBondContact O-N 3.27Å; E55-K58 HydrophobicContact CB-CB 4.09Å; E55-K58 WeakPolarHBondContact O-CB 3.27Å; E55-K58 PolarHBondContact O-N 3.16Å; E55-K58 WeakPolarHBondContact OE2-CD 3.28Å; E55-K58 IonicContact OE2-NZ 3.49Å; E55-K58 PolarHBondContact OE2-NZ 3.31Å | ||
| 56 | P | 94.3 | Very high | 95.6 | Very high | 63 Ų | 63 | 54.3 Ų | 54.3 | 41% | 0.409 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.5 | -31.3 | -177.9 | 27.4 | -34.9 | 0 | 0 | 0 | 112.9 | E54 K58 F59 A60 | E54-P56 WeakPolarHBondContact O-CD 3.47Å; P56-K58 VanDerWaalsContact C-N 3.32Å; P56-K58 PolarHBondContact O-N 3.17Å; P56-F59 PolarHBondContact O-N 2.75Å; P56-A60 PolarHBondContact O-N 2.95Å; P56-A60 VanDerWaalsContact O-N 3.11Å |
| 57 | Q | 95.7 | Very high | 95.7 | Very high | 131 Ų | 131 | 52.8 Ų | 52.8 | 61% | 0.612 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -66.4 | -33.9 | 179.9 | -70.2 | -60.4 | -29.9 | 0 | 0 | 112.4 | E55 F59 A60 N61 | E55-Q57 VanDerWaalsContact C-N 3.27Å; E55-Q57 PolarHBondContact O-N 3.27Å; Q57-F59 PolarHBondContact O-N 3.11Å; Q57-A60 PolarHBondContact O-N 3.03Å; Q57-N61 PolarHBondContact O-N 3.08Å |
| 58 | K | 96.1 | Very high | 95.7 | Very high | 52 Ų | 52 | 53.4 Ų | 53.4 | 23% | 0.226 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.6 | -48.7 | 178.4 | -171.5 | 175.5 | -179.9 | -177.3 | 0 | 111 | F51 E55 P56 V62 A91 | F51-K58 HydrophobicContact CD1-CG 4.26Å; F51-K58 HydrophobicContact CE1-CG 4.07Å; E55-K58 HydrophobicContact CB-CB 4.09Å; E55-K58 WeakPolarHBondContact O-CB 3.27Å; E55-K58 PolarHBondContact O-N 3.16Å; E55-K58 WeakPolarHBondContact OE2-CD 3.28Å; E55-K58 IonicContact OE2-NZ 3.49Å; E55-K58 PolarHBondContact OE2-NZ 3.31Å; P56-K58 VanDerWaalsContact C-N 3.32Å; P56-K58 PolarHBondContact O-N 3.17Å; K58-V62 VanDerWaalsContact O-CG2 3.29Å; K58-V62 WeakPolarHBondContact O-CG2 3.48Å; K58-V62 PolarHBondContact O-N 3.36Å; K58-A91 HydrophobicContact CD-CB 4.23Å; K58-A91 HydrophobicContact CG-CB 3.7Å |
| 59 | F | 96.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 0% | 0.004 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.1 | -39.2 | 176.7 | -171.9 | -94.8 | 0 | 0 | 0 | 112.6 | A32 A33 F36 L37 F47 F51 P56 Q57 N61 V62 H63 A68 | A32-F59 HydrophobicContact CB-CB 4.31Å; A33-F59 HydrophobicContact CB-CD1 4.22Å; A33-F59 HydrophobicContact CB-CD2 3.41Å; A33-F59 VanDerWaalsContact CB-CD2 3.41Å; A33-F59 HydrophobicContact CB-CE1 4.09Å; A33-F59 HydrophobicContact CB-CE2 3.24Å; A33-F59 HydrophobicContact CB-CG 3.9Å; A33-F59 HydrophobicContact CB-CZ 3.61Å; F36-F59 HydrophobicContact CB-CD1 3.64Å; F36-F59 HydrophobicContact CB-CE1 3.87Å; F36-F59 HydrophobicContact CD1-CD1 4.11Å; F36-F59 AromaticContact CD1-CE1 3.87Å; F36-F59 HydrophobicContact CD1-CE1 3.87Å; F36-F59 AromaticContact CG-CD1 3.87Å; F36-F59 HydrophobicContact CG-CD1 3.87Å; F36-F59 HydrophobicContact CG-CE1 4.05Å; L37-F59 HydrophobicContact CD1-CE1 3.3Å; L37-F59 HydrophobicContact CD1-CZ 3.43Å; L37-F59 VanDerWaalsContact CD1-CZ 3.43Å; F47-F59 HydrophobicContact CD1-CE2 4.08Å; F47-F59 HydrophobicContact CE1-CE2 4.05Å; F47-F59 HydrophobicContact CZ-CE2 4.45Å; F51-F59 HydrophobicContact CD1-CB 3.62Å; F51-F59 AromaticContact CD1-CD2 3.75Å; F51-F59 HydrophobicContact CD1-CD2 3.75Å; F51-F59 HydrophobicContact CD1-CG 4.19Å; F51-F59 AromaticContact CD2-CD2 3.98Å; F51-F59 HydrophobicContact CD2-CD2 3.98Å; F51-F59 HydrophobicContact CE1-CB 4Å; F51-F59 AromaticContact CE1-CD2 3.8Å; F51-F59 HydrophobicContact CE1-CD2 3.8Å; F51-F59 HydrophobicContact CE1-CG 4.4Å; F51-F59 HydrophobicContact CE2-CD2 4.04Å; F51-F59 HydrophobicContact CE2-CE2 4.5Å; F51-F59 HydrophobicContact CG-CB 4.26Å; F51-F59 AromaticContact CG-CD2 3.83Å; F51-F59 HydrophobicContact CG-CD2 3.83Å; F51-F59 HydrophobicContact CG-CG 4.5Å; F51-F59 AromaticContact CZ-CD2 3.94Å; F51-F59 HydrophobicContact CZ-CD2 3.94Å; P56-F59 PolarHBondContact O-N 2.75Å; Q57-F59 PolarHBondContact O-N 3.11Å; F59-N61 VanDerWaalsContact C-N 3.34Å; F59-N61 PolarHBondContact O-N 3.1Å; F59-V62 PolarHBondContact O-N 3.32Å; F59-H63 HydrophobicContact CD1-CB 4.28Å; F59-H63 HydrophobicContact CE1-CB 3.92Å; F59-H63 HydrophobicContact CZ-CB 4.34Å; F59-H63 WeakPolarHBondContact O-CB 3.45Å; F59-H63 PolarHBondContact O-N 3.46Å; F59-A68 HydrophobicContact CZ-CB 4.42Å |
| 60 | A | 97.3 | Very high | 96 | Very high | 20 Ų | 20 | 57.8 Ų | 57.8 | 17% | 0.165 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F36 P56 Q57 K64 | F36-A60 HydrophobicContact CD2-CB 4.18Å; F36-A60 HydrophobicContact CE2-CB 3.76Å; P56-A60 PolarHBondContact O-N 2.95Å; P56-A60 VanDerWaalsContact O-N 3.11Å; Q57-A60 PolarHBondContact O-N 3.03Å; A60-K64 WeakPolarHBondContact O-CB 3.42Å; A60-K64 PolarHBondContact O-N 2.9Å |
| 61 | N | 97.4 | Very high | 96 | Very high | 26 Ų | 26 | 56 Ų | 56 | 14% | 0.139 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.4 | -51.5 | 176.9 | -69.2 | -17.3 | 0 | 0 | 0 | 111.2 | Q57 F59 H63 K64 V65 A94 V98 | Q57-N61 PolarHBondContact O-N 3.08Å; F59-N61 VanDerWaalsContact C-N 3.34Å; F59-N61 PolarHBondContact O-N 3.1Å; N61-H63 VanDerWaalsContact C-N 3.3Å; N61-H63 PolarHBondContact O-N 3.12Å; N61-K64 WeakPolarHBondContact O-CB 3.44Å; N61-K64 PolarHBondContact O-N 2.89Å; N61-K64 VanDerWaalsContact O-N 3.12Å; N61-V65 PolarHBondContact O-N 3.36Å; N61-A94 HydrophobicContact CB-CB 3.94Å; N61-V98 HydrophobicContact CB-CG2 4.36Å |
| 62 | V | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.9 | -42.9 | -179.9 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | F51 K58 F59 V65 F66 G67 V71 L90 A91 A94 | F51-V62 HydrophobicContact CE1-CB 4.5Å; F51-V62 HydrophobicContact CE1-CG2 4.35Å; F51-V62 HydrophobicContact CZ-CB 4.46Å; F51-V62 HydrophobicContact CZ-CG1 4.25Å; F51-V62 HydrophobicContact CZ-CG2 4.44Å; K58-V62 VanDerWaalsContact O-CG2 3.29Å; K58-V62 WeakPolarHBondContact O-CG2 3.48Å; K58-V62 PolarHBondContact O-N 3.36Å; F59-V62 PolarHBondContact O-N 3.32Å; V62-V65 PolarHBondContact O-N 3.47Å; V62-F66 HydrophobicContact CG1-CD2 4.34Å; V62-F66 PolarHBondContact O-N 2.84Å; V62-G67 PolarHBondContact O-N 3.44Å; V62-V71 HydrophobicContact CG1-CG1 4.4Å; V62-V71 HydrophobicContact CG1-CG2 3.52Å; V62-L90 HydrophobicContact CG2-CB 4.36Å; V62-A91 HydrophobicContact CG2-CB 4.22Å; V62-A94 HydrophobicContact CG2-CB 4.07Å |
| 63 | H | 97.3 | Very high | 96.1 | Very high | 67 Ų | 67 | 62 Ų | 62 | 31% | 0.31 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 176.3 | -177.2 | -94.7 | 0 | 0 | 0 | 112.4 | F36 F59 N61 V65 G67 A68 | F36-H63 HydrophobicContact CE1-CB 4.4Å; F36-H63 AromaticContact CE1-CG 3.92Å; F36-H63 AromaticContact CE1-ND1 3.5Å; F59-H63 HydrophobicContact CD1-CB 4.28Å; F59-H63 HydrophobicContact CE1-CB 3.92Å; F59-H63 HydrophobicContact CZ-CB 4.34Å; F59-H63 WeakPolarHBondContact O-CB 3.45Å; F59-H63 PolarHBondContact O-N 3.46Å; N61-H63 VanDerWaalsContact C-N 3.3Å; N61-H63 PolarHBondContact O-N 3.12Å; H63-V65 VanDerWaalsContact C-N 3.34Å; H63-V65 PolarHBondContact O-N 3.15Å; H63-G67 VanDerWaalsContact O-CA 3.25Å; H63-G67 WeakPolarHBondContact O-CA 3.21Å; H63-G67 PolarHBondContact O-N 3.24Å; H63-A68 PolarHBondContact CD2-N 3.11Å |
| 64 | K | 96.9 | Very high | 96.3 | Very high | 157 Ų | 157 | 63.3 Ų | 63.3 | 68% | 0.683 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.6 | -37.3 | 179.2 | -179.3 | 177.8 | 173.6 | -173.2 | 0 | 112.5 | A60 N61 V98 | A60-K64 WeakPolarHBondContact O-CB 3.42Å; A60-K64 PolarHBondContact O-N 2.9Å; N61-K64 WeakPolarHBondContact O-CB 3.44Å; N61-K64 PolarHBondContact O-N 2.89Å; N61-K64 VanDerWaalsContact O-N 3.12Å; K64-V98 HydrophobicContact CD-CG2 4.1Å |
| 65 | V | 97.4 | Very high | 96.4 | Very high | 47 Ų | 47 | 56.3 Ų | 56.3 | 29% | 0.285 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -91.3 | -46.8 | -173.5 | 170.8 | 0 | 0 | 0 | 0 | 112.5 | N61 V62 H63 A94 R97 V98 | N61-V65 PolarHBondContact O-N 3.36Å; V62-V65 PolarHBondContact O-N 3.47Å; H63-V65 VanDerWaalsContact C-N 3.34Å; H63-V65 PolarHBondContact O-N 3.15Å; V65-A94 HydrophobicContact CB-CB 3.96Å; V65-A94 HydrophobicContact CG1-CB 4.45Å; V65-A94 HydrophobicContact CG2-CB 3.96Å; V65-R97 VanDerWaalsContact CG1-CD 3.44Å; V65-R97 HydrophobicContact CG2-CB 4Å; V65-V98 HydrophobicContact CG2-CG2 4.44Å |
| 66 | F | 97.2 | Very high | 96.5 | Very high | 51 Ų | 51 | 56.6 Ų | 56.6 | 22% | 0.224 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -29.6 | -173.2 | -60.3 | -75.8 | 0 | 0 | 0 | 112.9 | V62 N70 V71 L90 E93 A94 | V62-F66 HydrophobicContact CG1-CD2 4.34Å; V62-F66 PolarHBondContact O-N 2.84Å; F66-N70 WeakPolarHBondContact O-CB 3.49Å; F66-N70 PolarHBondContact O-ND2 3.12Å; F66-V71 HydrophobicContact CB-CG2 3.89Å; F66-L90 HydrophobicContact CD1-CD2 4.1Å; F66-L90 HydrophobicContact CD2-CB 4.42Å; F66-L90 HydrophobicContact CD2-CD2 3.89Å; F66-L90 HydrophobicContact CE1-CD2 3.88Å; F66-L90 HydrophobicContact CE2-CB 4.13Å; F66-L90 HydrophobicContact CE2-CD2 3.65Å; F66-L90 WeakPolarHBondContact CE2-O 3.3Å; F66-L90 HydrophobicContact CG-CD2 4.1Å; F66-L90 HydrophobicContact CZ-CD2 3.64Å; F66-E93 HydrophobicContact CE2-CB 4.33Å; F66-E93 HydrophobicContact CZ-CB 3.98Å; F66-A94 HydrophobicContact CD2-CB 4.32Å; F66-A94 HydrophobicContact CE2-CB 3.97Å |
| 67 | G | 96.9 | Very high | 96.6 | Very high | 21 Ų | 21 | 59.7 Ų | 59.7 | 22% | 0.216 | 31% | 0.31 | C | S | . | . | trans | 82 | 146 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V62 H63 S69 N70 V71 | V62-G67 PolarHBondContact O-N 3.44Å; H63-G67 VanDerWaalsContact O-CA 3.25Å; H63-G67 WeakPolarHBondContact O-CA 3.21Å; H63-G67 PolarHBondContact O-N 3.24Å; G67-S69 VanDerWaalsContact C-N 3.33Å; G67-S69 PolarHBondContact O-N 3.41Å; G67-N70 PolarHBondContact O-N 3.37Å; G67-V71 VanDerWaalsContact O-CG2 3.26Å; G67-V71 WeakPolarHBondContact O-CG2 3.39Å; G67-V71 PolarHBondContact O-N 3Å | ||
| 68 | A | 95.6 | Very high | 96.6 | Very high | 14 Ų | 14 | 55.6 Ų | 55.6 | 12% | 0.116 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.3 | -38.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L37 F47 F59 H63 V71 T72 | L37-A68 HydrophobicContact CD1-CB 4.49Å; L37-A68 HydrophobicContact CD2-CB 4.32Å; F47-A68 HydrophobicContact CZ-CB 4.42Å; F59-A68 HydrophobicContact CZ-CB 4.42Å; H63-A68 PolarHBondContact CD2-N 3.11Å; A68-V71 PolarHBondContact O-N 3.44Å; A68-T72 WeakPolarHBondContact O-CB 3.45Å; A68-T72 PolarHBondContact O-N 3.04Å; A68-T72 PolarHBondContact O-OG1 3.43Å |
| 69 | S | 96.2 | Very high | 96.6 | Very high | 99 Ų | 99 | 57.7 Ų | 57.7 | 69% | 0.692 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -65.6 | -44 | -177.4 | -53.7 | 0 | 0 | 0 | 0 | 111.9 | G67 T72 K73 | G67-S69 VanDerWaalsContact C-N 3.33Å; G67-S69 PolarHBondContact O-N 3.41Å; S69-T72 PolarHBondContact O-N 2.93Å; S69-K73 WeakPolarHBondContact O-CB 3.26Å; S69-K73 PolarHBondContact O-N 2.93Å |
| 70 | N | 96.9 | Very high | 96.4 | Very high | 107 Ų | 107 | 62.1 Ų | 62.1 | 57% | 0.572 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.9 | -42.2 | 178.7 | -67.5 | -25.3 | 0 | 0 | 0 | 111.2 | F66 G67 T72 K73 L74 | F66-N70 WeakPolarHBondContact O-CB 3.49Å; F66-N70 PolarHBondContact O-ND2 3.12Å; G67-N70 PolarHBondContact O-N 3.37Å; N70-T72 VanDerWaalsContact C-N 3.35Å; N70-T72 PolarHBondContact O-N 2.96Å; N70-K73 PolarHBondContact O-N 3.06Å; N70-L74 WeakPolarHBondContact O-CB 3.32Å; N70-L74 PolarHBondContact O-N 3.06Å |
| 71 | V | 96.9 | Very high | 96.3 | Very high | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.018 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 176.4 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | F47 V62 F66 G67 A68 K73 L74 L75 L90 | F47-V71 HydrophobicContact CE1-CB 4.44Å; F47-V71 HydrophobicContact CE1-CG1 3.99Å; V62-V71 HydrophobicContact CG1-CG1 4.4Å; V62-V71 HydrophobicContact CG1-CG2 3.52Å; F66-V71 HydrophobicContact CB-CG2 3.89Å; G67-V71 VanDerWaalsContact O-CG2 3.26Å; G67-V71 WeakPolarHBondContact O-CG2 3.39Å; G67-V71 PolarHBondContact O-N 3Å; A68-V71 PolarHBondContact O-N 3.44Å; V71-K73 VanDerWaalsContact C-N 3.35Å; V71-K73 PolarHBondContact O-N 3.43Å; V71-L74 PolarHBondContact O-N 3.49Å; V71-L75 HydrophobicContact CG1-CD1 4Å; V71-L75 HydrophobicContact CG1-CG 4.36Å; V71-L75 WeakPolarHBondContact O-CB 3.42Å; V71-L75 VanDerWaalsContact O-CG 3.26Å; V71-L75 WeakPolarHBondContact O-CG 3.35Å; V71-L75 PolarHBondContact O-N 2.94Å; V71-L90 HydrophobicContact CG1-CD1 4.27Å; V71-L90 HydrophobicContact CG2-CD1 4.48Å |
| 72 | T | 95.6 | Very high | 96.3 | Very high | 39 Ų | 39 | 70.1 Ų | 70.1 | 24% | 0.239 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.2 | -45 | 176.1 | -51.7 | 0 | 0 | 0 | 0 | 111.1 | V46 F47 A68 S69 N70 L75 N76 | V46-T72 HydrophobicContact CG2-CG2 4.21Å; F47-T72 WeakPolarHBondContact CZ-OG1 3.15Å; A68-T72 WeakPolarHBondContact O-CB 3.45Å; A68-T72 PolarHBondContact O-N 3.04Å; A68-T72 PolarHBondContact O-OG1 3.43Å; S69-T72 PolarHBondContact O-N 2.93Å; N70-T72 VanDerWaalsContact C-N 3.35Å; N70-T72 PolarHBondContact O-N 2.96Å; T72-L75 PolarHBondContact O-N 3.27Å; T72-N76 PolarHBondContact O-N 3.44Å; T72-N76 VanDerWaalsContact O-N 3.11Å; T72-N76 PolarHBondContact O-ND2 3.37Å; T72-N76 VanDerWaalsContact O-ND2 3.17Å |
| 73 | K | 96.9 | Very high | 96.3 | Very high | 129 Ų | 129 | 72.7 Ų | 72.7 | 56% | 0.561 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60.2 | -50.7 | 178.2 | -176.3 | 177.7 | 175 | -178 | 0 | 111.2 | S69 N70 V71 L75 N76 E77 | S69-K73 WeakPolarHBondContact O-CB 3.26Å; S69-K73 PolarHBondContact O-N 2.93Å; N70-K73 PolarHBondContact O-N 3.06Å; V71-K73 VanDerWaalsContact C-N 3.35Å; V71-K73 PolarHBondContact O-N 3.43Å; K73-L75 PolarHBondContact O-N 3.48Å; K73-N76 PolarHBondContact O-N 2.73Å; K73-N76 VanDerWaalsContact O-N 3.14Å; K73-E77 WeakPolarHBondContact CE-OE1 3.46Å; K73-E77 WeakPolarHBondContact CG-OE1 3.23Å; K73-E77 WeakPolarHBondContact O-CG 3.49Å; K73-E77 PolarHBondContact O-N 3.16Å; K73-E77 VanDerWaalsContact O-N 3.13Å |
| 74 | L | 96.7 | Very high | 96.2 | Very high | 63 Ų | 63 | 75.9 Ų | 75.9 | 33% | 0.33 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 178.8 | -179.6 | 62.9 | 0 | 0 | 0 | 112.1 | N70 V71 N76 E77 L78 L90 | N70-L74 WeakPolarHBondContact O-CB 3.32Å; N70-L74 PolarHBondContact O-N 3.06Å; V71-L74 PolarHBondContact O-N 3.49Å; L74-N76 VanDerWaalsContact C-N 3.25Å; L74-N76 PolarHBondContact O-N 3.28Å; L74-E77 PolarHBondContact O-N 3.44Å; L74-L78 HydrophobicContact CD1-CD1 4.27Å; L74-L78 HydrophobicContact CD1-CG 4.35Å; L74-L78 HydrophobicContact CG-CD1 4.19Å; L74-L78 WeakPolarHBondContact O-CG 3.35Å; L74-L78 PolarHBondContact O-N 3.35Å; L74-L78 VanDerWaalsContact O-N 3.16Å; L74-L90 HydrophobicContact CD2-CD1 3.98Å; L74-L90 HydrophobicContact CD2-CD2 4.23Å; L74-L90 HydrophobicContact CD2-CG 4.49Å |
| 75 | L | 96.1 | Very high | 96.2 | Very high | 3 Ų | 3 | 73.8 Ų | 73.8 | 2% | 0.016 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64 | -31.7 | 178.4 | -68.1 | 176.2 | 0 | 0 | 0 | 112.5 | Y50 V71 T72 K73 R83 V87 | Y50-L75 HydrophobicContact CD2-CD1 4.29Å; Y50-L75 HydrophobicContact CE2-CD1 4.46Å; V71-L75 HydrophobicContact CG1-CD1 4Å; V71-L75 HydrophobicContact CG1-CG 4.36Å; V71-L75 WeakPolarHBondContact O-CB 3.42Å; V71-L75 VanDerWaalsContact O-CG 3.26Å; V71-L75 WeakPolarHBondContact O-CG 3.35Å; V71-L75 PolarHBondContact O-N 2.94Å; T72-L75 PolarHBondContact O-N 3.27Å; K73-L75 PolarHBondContact O-N 3.48Å; L75-R83 HydrophobicContact CD2-CB 3.95Å; L75-R83 HydrophobicContact CD2-CG 4.05Å; L75-R83 PolarHBondContact O-NE 3.27Å; L75-R83 PolarHBondContact O-NH2 3.44Å; L75-R83 VanDerWaalsContact O-NH2 3.1Å; L75-V87 HydrophobicContact CD1-CG2 4.1Å; L75-V87 HydrophobicContact CD2-CG2 3.68Å; L75-V87 HydrophobicContact CG-CG2 4.47Å |
| 76 | N | 95.1 | Very high | 96.2 | Very high | 96 Ų | 96 | 72.3 Ų | 72.3 | 51% | 0.513 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -74.5 | -28.5 | 176.2 | -72.5 | -31.6 | 0 | 0 | 0 | 113.2 | T72 K73 L74 | T72-N76 PolarHBondContact O-N 3.44Å; T72-N76 VanDerWaalsContact O-N 3.11Å; T72-N76 PolarHBondContact O-ND2 3.37Å; T72-N76 VanDerWaalsContact O-ND2 3.17Å; K73-N76 PolarHBondContact O-N 2.73Å; K73-N76 VanDerWaalsContact O-N 3.14Å; L74-N76 VanDerWaalsContact C-N 3.25Å; L74-N76 PolarHBondContact O-N 3.28Å |
| 77 | E | 96.3 | Very high | 96.2 | Very high | 128 Ų | 128 | 70 Ų | 70 | 60% | 0.598 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -77.2 | -25.3 | 176.8 | -70.5 | 171.1 | -173.2 | 0 | 0 | 112.7 | K73 L74 | K73-E77 WeakPolarHBondContact CE-OE1 3.46Å; K73-E77 WeakPolarHBondContact CG-OE1 3.23Å; K73-E77 WeakPolarHBondContact O-CG 3.49Å; K73-E77 PolarHBondContact O-N 3.16Å; K73-E77 VanDerWaalsContact O-N 3.13Å; L74-E77 PolarHBondContact O-N 3.44Å |
| 78 | L | 96.2 | Very high | 96.2 | Very high | 44 Ų | 44 | 71.7 Ų | 71.7 | 23% | 0.23 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -86.7 | 149.1 | 179.7 | -64.9 | 177.2 | 0 | 0 | 0 | 113.3 | L74 R83 A86 | L74-L78 HydrophobicContact CD1-CD1 4.27Å; L74-L78 HydrophobicContact CD1-CG 4.35Å; L74-L78 HydrophobicContact CG-CD1 4.19Å; L74-L78 WeakPolarHBondContact O-CG 3.35Å; L74-L78 PolarHBondContact O-N 3.35Å; L74-L78 VanDerWaalsContact O-N 3.16Å; L78-R83 HydrophobicContact CB-CG 4.3Å; L78-R83 PolarHBondContact O-NE 2.91Å; L78-R83 PolarHBondContact O-NH2 3.43Å; L78-A86 HydrophobicContact CD1-CB 3.39Å |
| 79 | L | 95.2 | Very high | 96.3 | Very high | 97 Ų | 97 | 74.1 Ų | 74.1 | 51% | 0.508 | 40% | 0.396 | S | S | . | . | trans | -64.1 | 146.2 | 172.4 | -79 | 72.6 | 0 | 0 | 0 | 110 | H81 Q82 | L79-H81 VanDerWaalsContact CD2-CE1 3.45Å; L79-H81 WeakPolarHBondContact CD2-CE1 3.26Å; L79-H81 PolarHBondContact O-N 3.19Å; L79-Q82 HydrophobicContact CB-CG 4.48Å; L79-Q82 PolarHBondContact O-N 3.48Å | ||
| 80 | P | 93.7 | Very high | 96.4 | Very high | 94 Ų | 94 | 70.1 Ų | 70.1 | 61% | 0.61 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -53.6 | -34.2 | -174.4 | -29 | 35.5 | 0 | 0 | 0 | 115 | Q82 | P80-Q82 VanDerWaalsContact C-N 3.33Å; P80-Q82 PolarHBondContact O-N 3.38Å |
| 81 | H | 95.1 | Very high | 96.5 | Very high | 131 Ų | 131 | 65.7 Ų | 65.7 | 61% | 0.606 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -72.9 | -20.9 | -179.8 | 68.3 | -92.6 | 0 | 0 | 0 | 113.9 | L79 | L79-H81 VanDerWaalsContact CD2-CE1 3.45Å; L79-H81 WeakPolarHBondContact CD2-CE1 3.26Å; L79-H81 PolarHBondContact O-N 3.19Å |
| 82 | Q | 96.6 | Very high | 96.5 | Very high | 82 Ų | 82 | 72 Ų | 72 | 38% | 0.383 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -92.3 | -12.1 | -179.5 | -59.7 | 179.6 | -32.6 | 0 | 0 | 112.6 | L79 P80 E84 D85 A86 | L79-Q82 HydrophobicContact CB-CG 4.48Å; L79-Q82 PolarHBondContact O-N 3.48Å; P80-Q82 VanDerWaalsContact C-N 3.33Å; P80-Q82 PolarHBondContact O-N 3.38Å; Q82-E84 VanDerWaalsContact C-N 3.34Å; Q82-E84 PolarHBondContact O-N 3Å; Q82-D85 PolarHBondContact O-N 3.16Å; Q82-A86 WeakPolarHBondContact O-CB 3.4Å; Q82-A86 PolarHBondContact O-N 3.41Å |
| 83 | R | 96.6 | Very high | 96.7 | Very high | 54 Ų | 54 | 73.3 Ų | 73.3 | 20% | 0.204 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.4 | -35.8 | -173.1 | -70.2 | 177 | -175 | -177.3 | -6.6 | 112.6 | Y50 L75 L78 A86 V87 | Y50-R83 HydrophobicContact CE1-CB 3.75Å; Y50-R83 HydrophobicContact CE2-CB 4.26Å; Y50-R83 VanDerWaalsContact OH-CB 3.26Å; Y50-R83 WeakPolarHBondContact OH-CB 3.3Å; Y50-R83 WeakPolarHBondContact OH-CD 3.42Å; L75-R83 HydrophobicContact CD2-CB 3.95Å; L75-R83 HydrophobicContact CD2-CG 4.05Å; L75-R83 PolarHBondContact O-NE 3.27Å; L75-R83 PolarHBondContact O-NH2 3.44Å; L75-R83 VanDerWaalsContact O-NH2 3.1Å; L78-R83 HydrophobicContact CB-CG 4.3Å; L78-R83 PolarHBondContact O-NE 2.91Å; L78-R83 PolarHBondContact O-NH2 3.43Å; R83-A86 PolarHBondContact O-N 3.49Å; R83-V87 WeakPolarHBondContact O-CG2 3.23Å; R83-V87 PolarHBondContact O-N 3.43Å |
| 84 | E | 96 | Very high | 96.7 | Very high | 135 Ų | 135 | 67.2 Ų | 67.2 | 63% | 0.631 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65.3 | -47.4 | 177.9 | -176.2 | 171.4 | -169.6 | 0 | 0 | 111.5 | Y50 Q82 A86 V87 S88 | Y50-E84 HydrophobicContact CE1-CB 4.43Å; Q82-E84 VanDerWaalsContact C-N 3.34Å; Q82-E84 PolarHBondContact O-N 3Å; E84-A86 PolarHBondContact O-N 3.15Å; E84-V87 PolarHBondContact O-N 3.48Å; E84-S88 WeakPolarHBondContact O-CB 3.45Å; E84-S88 PolarHBondContact O-N 3.47Å; E84-S88 PolarHBondContact O-OG 3.24Å |
| 85 | D | 97.3 | Very high | 96.8 | Very high | 112 Ų | 112 | 68 Ų | 68 | 60% | 0.599 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.4 | -45.1 | 175.1 | -68.9 | -21.8 | 0 | 0 | 0 | 111 | Q82 V87 S88 S89 | Q82-D85 PolarHBondContact O-N 3.16Å; D85-V87 PolarHBondContact O-N 3.4Å; D85-S88 WeakPolarHBondContact O-CB 3.14Å; D85-S88 PolarHBondContact O-N 2.88Å; D85-S88 VanDerWaalsContact O-N 3.12Å; D85-S89 PolarHBondContact O-N 3.42Å; D85-S89 PolarHBondContact O-OG 3.4Å |
| 86 | A | 97.6 | Very high | 96.9 | Very high | 17 Ų | 17 | 68.7 Ų | 68.7 | 14% | 0.14 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L78 Q82 R83 E84 S88 S89 L90 | L78-A86 HydrophobicContact CD1-CB 3.39Å; Q82-A86 WeakPolarHBondContact O-CB 3.4Å; Q82-A86 PolarHBondContact O-N 3.41Å; R83-A86 PolarHBondContact O-N 3.49Å; E84-A86 PolarHBondContact O-N 3.15Å; A86-S88 VanDerWaalsContact C-N 3.28Å; A86-S88 PolarHBondContact O-N 3.18Å; A86-S89 PolarHBondContact O-N 3Å; A86-L90 WeakPolarHBondContact O-CB 3.29Å; A86-L90 VanDerWaalsContact O-CG 3.23Å; A86-L90 WeakPolarHBondContact O-CG 3.46Å; A86-L90 PolarHBondContact O-N 2.88Å |
| 87 | V | 97.4 | Very high | 97 | Very high | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.012 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.4 | -36.5 | 175.6 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | Y50 F51 L75 R83 E84 D85 L90 A91 | Y50-V87 HydrophobicContact CD1-CG2 4.43Å; Y50-V87 HydrophobicContact CD2-CG2 4.33Å; Y50-V87 HydrophobicContact CG-CG2 3.94Å; F51-V87 HydrophobicContact CE1-CG1 4.05Å; F51-V87 HydrophobicContact CE2-CG1 3.88Å; F51-V87 HydrophobicContact CE2-CG2 4.32Å; F51-V87 HydrophobicContact CZ-CG1 3.57Å; L75-V87 HydrophobicContact CD1-CG2 4.1Å; L75-V87 HydrophobicContact CD2-CG2 3.68Å; L75-V87 HydrophobicContact CG-CG2 4.47Å; R83-V87 WeakPolarHBondContact O-CG2 3.23Å; R83-V87 PolarHBondContact O-N 3.43Å; E84-V87 PolarHBondContact O-N 3.48Å; D85-V87 PolarHBondContact O-N 3.4Å; V87-L90 PolarHBondContact O-N 3.46Å; V87-A91 VanDerWaalsContact O-CB 3.26Å; V87-A91 WeakPolarHBondContact O-CB 3.1Å; V87-A91 PolarHBondContact O-N 3.27Å |
| 88 | S | 97 | Very high | 97 | Very high | 57 Ų | 57 | 65.7 Ų | 65.7 | 40% | 0.399 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 176.4 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | E84 D85 A86 A91 Y92 | E84-S88 WeakPolarHBondContact O-CB 3.45Å; E84-S88 PolarHBondContact O-N 3.47Å; E84-S88 PolarHBondContact O-OG 3.24Å; D85-S88 WeakPolarHBondContact O-CB 3.14Å; D85-S88 PolarHBondContact O-N 2.88Å; D85-S88 VanDerWaalsContact O-N 3.12Å; A86-S88 VanDerWaalsContact C-N 3.28Å; A86-S88 PolarHBondContact O-N 3.18Å; S88-A91 PolarHBondContact O-N 3.28Å; S88-Y92 PolarHBondContact O-N 2.97Å |
| 89 | S | 97.9 | Very high | 97.1 | Very high | 65 Ų | 65 | 70.8 Ų | 70.8 | 46% | 0.455 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 173.4 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | D85 A86 A91 Y92 E93 | D85-S89 PolarHBondContact O-N 3.42Å; D85-S89 PolarHBondContact O-OG 3.4Å; A86-S89 PolarHBondContact O-N 3Å; S89-A91 VanDerWaalsContact C-N 3.32Å; S89-A91 PolarHBondContact O-N 3.46Å; S89-Y92 PolarHBondContact O-N 3.44Å; S89-E93 WeakPolarHBondContact O-CG 3.47Å; S89-E93 PolarHBondContact O-N 3.47Å |
| 90 | L | 97.9 | Very high | 97.2 | Very high | 15 Ų | 15 | 68.7 Ų | 68.7 | 8% | 0.079 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.1 | -41 | 177.5 | -69 | 169.7 | 0 | 0 | 0 | 111.9 | V62 F66 V71 L74 A86 V87 A94 | V62-L90 HydrophobicContact CG2-CB 4.36Å; F66-L90 HydrophobicContact CD1-CD2 4.1Å; F66-L90 HydrophobicContact CD2-CB 4.42Å; F66-L90 HydrophobicContact CD2-CD2 3.89Å; F66-L90 HydrophobicContact CE1-CD2 3.88Å; F66-L90 HydrophobicContact CE2-CB 4.13Å; F66-L90 HydrophobicContact CE2-CD2 3.65Å; F66-L90 WeakPolarHBondContact CE2-O 3.3Å; F66-L90 HydrophobicContact CG-CD2 4.1Å; F66-L90 HydrophobicContact CZ-CD2 3.64Å; V71-L90 HydrophobicContact CG1-CD1 4.27Å; V71-L90 HydrophobicContact CG2-CD1 4.48Å; L74-L90 HydrophobicContact CD2-CD1 3.98Å; L74-L90 HydrophobicContact CD2-CD2 4.23Å; L74-L90 HydrophobicContact CD2-CG 4.49Å; A86-L90 WeakPolarHBondContact O-CB 3.29Å; A86-L90 VanDerWaalsContact O-CG 3.23Å; A86-L90 WeakPolarHBondContact O-CG 3.46Å; A86-L90 PolarHBondContact O-N 2.88Å; V87-L90 PolarHBondContact O-N 3.46Å; L90-A94 WeakPolarHBondContact O-CB 3.35Å; L90-A94 PolarHBondContact O-N 3.2Å |
| 91 | A | 97.7 | Very high | 97.3 | Very high | 14 Ų | 14 | 69.6 Ų | 69.6 | 12% | 0.116 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | K58 V62 V87 S88 S89 A94 E95 | K58-A91 HydrophobicContact CD-CB 4.23Å; K58-A91 HydrophobicContact CG-CB 3.7Å; V62-A91 HydrophobicContact CG2-CB 4.22Å; V87-A91 VanDerWaalsContact O-CB 3.26Å; V87-A91 WeakPolarHBondContact O-CB 3.1Å; V87-A91 PolarHBondContact O-N 3.27Å; S88-A91 PolarHBondContact O-N 3.28Å; S89-A91 VanDerWaalsContact C-N 3.32Å; S89-A91 PolarHBondContact O-N 3.46Å; A91-A94 PolarHBondContact O-N 3.34Å; A91-E95 WeakPolarHBondContact O-CB 3.45Å; A91-E95 PolarHBondContact O-N 2.91Å |
| 92 | Y | 98.3 | Very high | 97.4 | Very high | 135 Ų | 135 | 68.7 Ų | 68.7 | 53% | 0.529 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.7 | -49.7 | 176.6 | 175.5 | -95.6 | 0 | 0 | 0 | 112 | S88 S89 A94 E95 A96 C105 | S88-Y92 PolarHBondContact O-N 2.97Å; S89-Y92 PolarHBondContact O-N 3.44Å; Y92-A94 VanDerWaalsContact C-N 3.33Å; Y92-A94 PolarHBondContact O-N 3.46Å; Y92-E95 PolarHBondContact O-N 2.97Å; Y92-A96 WeakPolarHBondContact O-CB 3.4Å; Y92-A96 PolarHBondContact O-N 3.34Å; Y92-C105 HydrophobicContact CE1-CB 4.15Å |
| 93 | E | 98.2 | Very high | 97.5 | Very high | 67 Ų | 67 | 71.7 Ų | 71.7 | 31% | 0.313 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 179.4 | -74.4 | -174.5 | -144.2 | 0 | 0 | 112.3 | F66 S89 A96 R97 | F66-E93 HydrophobicContact CE2-CB 4.33Å; F66-E93 HydrophobicContact CZ-CB 3.98Å; S89-E93 WeakPolarHBondContact O-CG 3.47Å; S89-E93 PolarHBondContact O-N 3.47Å; E93-A96 PolarHBondContact O-N 2.93Å; E93-R97 WeakPolarHBondContact O-CG 3.48Å; E93-R97 PolarHBondContact O-N 3.47Å |
| 94 | A | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.9 | -43.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N61 V62 V65 F66 L90 A91 Y92 A96 R97 V98 | N61-A94 HydrophobicContact CB-CB 3.94Å; V62-A94 HydrophobicContact CG2-CB 4.07Å; V65-A94 HydrophobicContact CB-CB 3.96Å; V65-A94 HydrophobicContact CG1-CB 4.45Å; V65-A94 HydrophobicContact CG2-CB 3.96Å; F66-A94 HydrophobicContact CD2-CB 4.32Å; F66-A94 HydrophobicContact CE2-CB 3.97Å; L90-A94 WeakPolarHBondContact O-CB 3.35Å; L90-A94 PolarHBondContact O-N 3.2Å; A91-A94 PolarHBondContact O-N 3.34Å; Y92-A94 VanDerWaalsContact C-N 3.33Å; Y92-A94 PolarHBondContact O-N 3.46Å; A94-A96 VanDerWaalsContact C-N 3.33Å; A94-A96 PolarHBondContact O-N 3.5Å; A94-R97 PolarHBondContact O-N 3.14Å; A94-V98 VanDerWaalsContact O-CG2 3.3Å; A94-V98 WeakPolarHBondContact O-CG2 3.47Å; A94-V98 PolarHBondContact O-N 2.91Å |
| 95 | E | 98.1 | Very high | 97.6 | Very high | 80 Ų | 80 | 63.9 Ų | 63.9 | 37% | 0.374 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61 | -43.7 | 174.5 | -174.7 | -178 | 177.7 | 0 | 0 | 111.3 | A91 Y92 R97 V98 K99 | A91-E95 WeakPolarHBondContact O-CB 3.45Å; A91-E95 PolarHBondContact O-N 2.91Å; Y92-E95 PolarHBondContact O-N 2.97Å; E95-R97 PolarHBondContact O-N 3.17Å; E95-V98 PolarHBondContact O-N 3.49Å; E95-K99 HydrophobicContact CG-CD 4.34Å; E95-K99 WeakPolarHBondContact O-CG 3.31Å; E95-K99 PolarHBondContact O-N 2.96Å; E95-K99 WeakPolarHBondContact OE1-CE 3.31Å; E95-K99 IonicContact OE1-NZ 3.86Å; E95-K99 PolarHBondContact OE1-NZ 2.96Å |
| 96 | A | 98 | Very high | 97.6 | Very high | 17 Ų | 17 | 62 Ų | 62 | 14% | 0.14 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y92 E93 A94 V98 K99 D100 C105 | Y92-A96 WeakPolarHBondContact O-CB 3.4Å; Y92-A96 PolarHBondContact O-N 3.34Å; E93-A96 PolarHBondContact O-N 2.93Å; A94-A96 VanDerWaalsContact C-N 3.33Å; A94-A96 PolarHBondContact O-N 3.5Å; A96-V98 VanDerWaalsContact C-N 3.33Å; A96-V98 PolarHBondContact O-N 3.12Å; A96-K99 PolarHBondContact O-N 2.93Å; A96-D100 PolarHBondContact O-N 3.24Å; A96-C105 HydrophobicContact CB-CB 4.04Å |
| 97 | R | 97.9 | Very high | 97.6 | Very high | 110 Ų | 110 | 62 Ų | 62 | 42% | 0.415 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.6 | -27.8 | 175.9 | -73.6 | 176.7 | -173.2 | -85.2 | 3.9 | 113.7 | V65 E93 A94 E95 D100 P101 | V65-R97 VanDerWaalsContact CG1-CD 3.44Å; V65-R97 HydrophobicContact CG2-CB 4Å; E93-R97 WeakPolarHBondContact O-CG 3.48Å; E93-R97 PolarHBondContact O-N 3.47Å; A94-R97 PolarHBondContact O-N 3.14Å; E95-R97 PolarHBondContact O-N 3.17Å; R97-D100 WeakPolarHBondContact CA-O 3.45Å; R97-D100 CarbonylContact O-C 3.33Å; R97-P101 WeakPolarHBondContact O-CA 3.08Å |
| 98 | V | 97.1 | Very high | 97.5 | Very high | 51 Ų | 51 | 63.7 Ų | 63.7 | 31% | 0.309 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71.6 | -38.3 | 172.8 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | N61 K64 V65 A94 E95 A96 | N61-V98 HydrophobicContact CB-CG2 4.36Å; K64-V98 HydrophobicContact CD-CG2 4.1Å; V65-V98 HydrophobicContact CG2-CG2 4.44Å; A94-V98 VanDerWaalsContact O-CG2 3.3Å; A94-V98 WeakPolarHBondContact O-CG2 3.47Å; A94-V98 PolarHBondContact O-N 2.91Å; E95-V98 PolarHBondContact O-N 3.49Å; A96-V98 VanDerWaalsContact C-N 3.33Å; A96-V98 PolarHBondContact O-N 3.12Å |
| 99 | K | 96.9 | Very high | 97.6 | Very high | 152 Ų | 152 | 65 Ų | 65 | 66% | 0.661 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -73.3 | -40.8 | 176.7 | -70.4 | 175.3 | -176.5 | 170.4 | 0 | 112.7 | E95 A96 | E95-K99 HydrophobicContact CG-CD 4.34Å; E95-K99 WeakPolarHBondContact O-CG 3.31Å; E95-K99 PolarHBondContact O-N 2.96Å; E95-K99 WeakPolarHBondContact OE1-CE 3.31Å; E95-K99 IonicContact OE1-NZ 3.86Å; E95-K99 PolarHBondContact OE1-NZ 2.96Å; A96-K99 PolarHBondContact O-N 2.93Å |
| 100 | D | 97 | Very high | 97.6 | Very high | 53 Ų | 53 | 63.6 Ų | 63.6 | 28% | 0.283 | 33% | 0.333 | S | S | . | . | trans | -128.9 | 96.1 | 177 | -178.4 | -11.6 | 0 | 0 | 0 | 109.5 | A96 R97 V102 Y103 G104 | A96-D100 PolarHBondContact O-N 3.24Å; R97-D100 WeakPolarHBondContact CA-O 3.45Å; R97-D100 CarbonylContact O-C 3.33Å; D100-V102 PolarHBondContact O-N 3.16Å; D100-V102 PolarHBondContact OD1-N 2.86Å; D100-Y103 PolarHBondContact OD1-N 3Å; D100-G104 VanDerWaalsContact O-CA 3.24Å; D100-G104 WeakPolarHBondContact O-CA 3.4Å; D100-G104 PolarHBondContact O-N 3.34Å | ||
| 101 | P | 96.8 | Very high | 97.6 | Very high | 112 Ų | 112 | 66.7 Ų | 66.7 | 73% | 0.727 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -16.8 | 178.9 | -24 | 35.3 | 0 | 0 | 0 | 114.8 | R97 | R97-P101 WeakPolarHBondContact O-CA 3.08Š|
| 102 | V | 97.9 | Very high | 97.6 | Very high | 112 Ų | 112 | 71.3 Ų | 71.3 | 68% | 0.679 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -54.3 | -176.1 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | D100 | D100-V102 PolarHBondContact O-N 3.16Å; D100-V102 PolarHBondContact OD1-N 2.86Å |
| 103 | Y | 96.9 | Very high | 97.6 | Very high | 146 Ų | 146 | 69.4 Ų | 69.4 | 57% | 0.573 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | -24.8 | -175.4 | -58.1 | -77.2 | 0 | 0 | 0 | 114.1 | D100 C105 V106 | D100-Y103 PolarHBondContact OD1-N 3Å; Y103-C105 PolarHBondContact O-N 2.79Å; Y103-V106 VanDerWaalsContact O-CB 3.23Å; Y103-V106 WeakPolarHBondContact O-CB 3.41Å; Y103-V106 PolarHBondContact O-N 3.43Å |
| 104 | G | 97.4 | Very high | 97.6 | Very high | 7 Ų | 7 | 73.6 Ų | 73.6 | 7% | 0.072 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | -130.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113 | D100 V106 G107 | D100-G104 VanDerWaalsContact O-CA 3.24Å; D100-G104 WeakPolarHBondContact O-CA 3.4Å; D100-G104 PolarHBondContact O-N 3.34Å; G104-V106 PolarHBondContact O-N 3.05Å; G104-G107 PolarHBondContact O-N 3.36Å |
| 105 | C | 97.4 | Very high | 97.6 | Very high | 17 Ų | 17 | 76.8 Ų | 76.8 | 12% | 0.115 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -66.2 | -23.4 | 176.8 | 56.8 | 0 | 0 | 0 | 0 | 113.6 | Y92 A96 Y103 G107 A108 I109 | Y92-C105 HydrophobicContact CE1-CB 4.15Å; A96-C105 HydrophobicContact CB-CB 4.04Å; Y103-C105 PolarHBondContact O-N 2.79Å; C105-G107 PolarHBondContact O-N 2.94Å; C105-A108 WeakPolarHBondContact O-CB 3.33Å; C105-A108 PolarHBondContact O-N 2.9Å; C105-A108 VanDerWaalsContact O-N 3.1Å; C105-I109 WeakPolarHBondContact O-CG1 3.24Å; C105-I109 PolarHBondContact O-N 3.26Å |
| 106 | V | 97.8 | Very high | 97.6 | Very high | 72 Ų | 72 | 77 Ų | 77 | 44% | 0.436 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.6 | -29.5 | 177.3 | -173.8 | 0 | 0 | 0 | 0 | 111.1 | Y103 G104 I109 S110 | Y103-V106 VanDerWaalsContact O-CB 3.23Å; Y103-V106 WeakPolarHBondContact O-CB 3.41Å; Y103-V106 PolarHBondContact O-N 3.43Å; G104-V106 PolarHBondContact O-N 3.05Å; V106-I109 PolarHBondContact O-N 3.49Å; V106-S110 WeakPolarHBondContact O-CB 3.45Å; V106-S110 PolarHBondContact O-N 2.91Å; V106-S110 PolarHBondContact O-OG 2.84Å |
| 107 | G | 97.5 | Very high | 97.6 | Very high | 19 Ų | 19 | 82.8 Ų | 82.8 | 20% | 0.196 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G104 C105 S110 V111 | G104-G107 PolarHBondContact O-N 3.36Å; C105-G107 PolarHBondContact O-N 2.94Å; G107-S110 WeakPolarHBondContact O-CB 3.44Å; G107-S110 PolarHBondContact O-N 3.41Å; G107-V111 WeakPolarHBondContact O-CG2 3.44Å; G107-V111 PolarHBondContact O-N 3.29Å |
| 108 | A | 96.8 | Very high | 97.6 | Very high | 36 Ų | 36 | 83.6 Ų | 83.6 | 30% | 0.298 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | C105 S110 V111 L112 | C105-A108 WeakPolarHBondContact O-CB 3.33Å; C105-A108 PolarHBondContact O-N 2.9Å; C105-A108 VanDerWaalsContact O-N 3.1Å; A108-S110 VanDerWaalsContact C-N 3.31Å; A108-S110 PolarHBondContact O-N 3.34Å; A108-V111 PolarHBondContact O-N 2.98Å; A108-L112 WeakPolarHBondContact O-CG 3.35Å; A108-L112 PolarHBondContact O-N 2.81Å |
| 109 | I | 98.1 | Very high | 97.7 | Very high | 84 Ų | 84 | 85.1 Ų | 85.1 | 43% | 0.431 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -57.1 | -46.6 | 174.5 | -65.1 | 169.4 | 0 | 0 | 0 | 110.4 | C105 V106 V111 L112 Q113 | C105-I109 WeakPolarHBondContact O-CG1 3.24Å; C105-I109 PolarHBondContact O-N 3.26Å; V106-I109 PolarHBondContact O-N 3.49Å; I109-V111 VanDerWaalsContact C-N 3.33Å; I109-V111 PolarHBondContact O-N 3.31Å; I109-L112 PolarHBondContact O-N 3.28Å; I109-Q113 HydrophobicContact CG2-CG 4.31Å; I109-Q113 WeakPolarHBondContact O-CG 3.47Å; I109-Q113 PolarHBondContact O-N 2.92Å |
| 110 | S | 97.7 | Very high | 97.8 | Very high | 36 Ų | 36 | 81.3 Ų | 81.3 | 25% | 0.252 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.8 | -38.9 | -179.4 | -58.5 | 0 | 0 | 0 | 0 | 112.6 | V106 G107 A108 R114 | V106-S110 WeakPolarHBondContact O-CB 3.45Å; V106-S110 PolarHBondContact O-N 2.91Å; V106-S110 PolarHBondContact O-OG 2.84Å; G107-S110 WeakPolarHBondContact O-CB 3.44Å; G107-S110 PolarHBondContact O-N 3.41Å; A108-S110 VanDerWaalsContact C-N 3.31Å; A108-S110 PolarHBondContact O-N 3.34Å; S110-R114 WeakPolarHBondContact O-CG 3.15Å; S110-R114 PolarHBondContact O-N 3.1Å; S110-R114 PolarHBondContact O-NH1 3.04Å |
| 111 | V | 97.7 | Very high | 97.8 | Very high | 81 Ų | 81 | 85.6 Ų | 85.6 | 49% | 0.491 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.5 | -47.4 | 174.5 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | G107 A108 I109 Q113 R114 Q115 | G107-V111 WeakPolarHBondContact O-CG2 3.44Å; G107-V111 PolarHBondContact O-N 3.29Å; A108-V111 PolarHBondContact O-N 2.98Å; I109-V111 VanDerWaalsContact C-N 3.33Å; I109-V111 PolarHBondContact O-N 3.31Å; V111-Q113 PolarHBondContact O-N 3.48Å; V111-R114 VanDerWaalsContact CG2-NH2 3.32Å; V111-R114 PolarHBondContact O-N 3.47Å; V111-Q115 PolarHBondContact O-N 3.2Å |
| 112 | L | 98 | Very high | 97.9 | Very high | 110 Ų | 110 | 84.9 Ų | 84.9 | 58% | 0.576 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.8 | -41.2 | -179.9 | -71.9 | 170.3 | 0 | 0 | 0 | 111.9 | A108 I109 R114 Q115 V116 | A108-L112 WeakPolarHBondContact O-CG 3.35Å; A108-L112 PolarHBondContact O-N 2.81Å; I109-L112 PolarHBondContact O-N 3.28Å; L112-R114 PolarHBondContact O-N 2.63Å; L112-Q115 WeakPolarHBondContact O-CB 3.49Å; L112-Q115 PolarHBondContact O-N 3.46Å; L112-V116 WeakPolarHBondContact O-CG2 3.5Å; L112-V116 PolarHBondContact O-N 3.39Å |
| 113 | Q | 98.3 | Very high | 97.9 | Very high | 95 Ų | 95 | 83.4 Ų | 83.4 | 44% | 0.444 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 175.9 | -75.1 | 175.5 | -30.5 | 0 | 0 | 112.2 | I109 V111 Q115 V116 H117 | I109-Q113 HydrophobicContact CG2-CG 4.31Å; I109-Q113 WeakPolarHBondContact O-CG 3.47Å; I109-Q113 PolarHBondContact O-N 2.92Å; V111-Q113 PolarHBondContact O-N 3.48Å; Q113-Q115 VanDerWaalsContact C-N 3.31Å; Q113-Q115 PolarHBondContact O-N 3.02Å; Q113-V116 PolarHBondContact O-N 2.83Å; Q113-H117 WeakPolarHBondContact O-CB 3.44Å; Q113-H117 PolarHBondContact O-N 2.83Å |
| 114 | R | 98.3 | Very high | 98 | Very high | 155 Ų | 155 | 80.5 Ų | 80.5 | 59% | 0.585 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.9 | -39.6 | 174.3 | -72.1 | -171.7 | -62.2 | -89.2 | 5 | 111.9 | S110 V111 L112 H117 R118 | S110-R114 WeakPolarHBondContact O-CG 3.15Å; S110-R114 PolarHBondContact O-N 3.1Å; S110-R114 PolarHBondContact O-NH1 3.04Å; V111-R114 VanDerWaalsContact CG2-NH2 3.32Å; V111-R114 PolarHBondContact O-N 3.47Å; L112-R114 PolarHBondContact O-N 2.63Å; R114-H117 PolarHBondContact O-N 3.28Å; R114-R118 WeakPolarHBondContact O-CB 3.4Å; R114-R118 PolarHBondContact O-N 3.06Å |
| 115 | Q | 98.2 | Very high | 98 | Very high | 67 Ų | 67 | 84.3 Ų | 84.3 | 31% | 0.313 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.7 | -45.8 | 178.5 | -174.5 | 65.3 | 8.7 | 0 | 0 | 111.7 | V111 L112 Q113 H117 R118 L119 | V111-Q115 PolarHBondContact O-N 3.2Å; L112-Q115 WeakPolarHBondContact O-CB 3.49Å; L112-Q115 PolarHBondContact O-N 3.46Å; Q113-Q115 VanDerWaalsContact C-N 3.31Å; Q113-Q115 PolarHBondContact O-N 3.02Å; Q115-H117 VanDerWaalsContact C-N 3.33Å; Q115-H117 PolarHBondContact O-N 3.25Å; Q115-R118 PolarHBondContact O-N 3.4Å; Q115-L119 HydrophobicContact CG-CD1 3.99Å; Q115-L119 HydrophobicContact CG-CG 4.43Å; Q115-L119 WeakPolarHBondContact O-CB 3.47Å; Q115-L119 VanDerWaalsContact O-CG 3.27Å; Q115-L119 WeakPolarHBondContact O-CG 3.35Å; Q115-L119 PolarHBondContact O-N 2.96Å |
| 116 | V | 98.4 | Very high | 98 | Very high | 85 Ų | 85 | 85.6 Ų | 85.6 | 52% | 0.515 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.8 | -45.9 | 174.8 | 170 | 0 | 0 | 0 | 0 | 110.4 | L112 Q113 R118 L119 Q120 | L112-V116 WeakPolarHBondContact O-CG2 3.5Å; L112-V116 PolarHBondContact O-N 3.39Å; Q113-V116 PolarHBondContact O-N 2.83Å; V116-R118 PolarHBondContact O-N 3.39Å; V116-L119 PolarHBondContact O-N 2.87Å; V116-Q120 WeakPolarHBondContact O-CB 3.47Å; V116-Q120 PolarHBondContact O-N 3.23Å |
| 117 | H | 98.1 | Very high | 98 | Very high | 138 Ų | 138 | 86.7 Ų | 86.7 | 64% | 0.639 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.9 | -42.8 | 177.5 | -177 | 70.6 | 0 | 0 | 0 | 112.7 | Q113 R114 Q115 Q120 K121 | Q113-H117 WeakPolarHBondContact O-CB 3.44Å; Q113-H117 PolarHBondContact O-N 2.83Å; R114-H117 PolarHBondContact O-N 3.28Å; Q115-H117 VanDerWaalsContact C-N 3.33Å; Q115-H117 PolarHBondContact O-N 3.25Å; H117-Q120 PolarHBondContact O-N 2.94Å; H117-K121 PolarHBondContact O-N 2.99Å; H117-K121 VanDerWaalsContact O-N 3.12Å |
| 118 | R | 98.3 | Very high | 97.9 | Very high | 128 Ų | 128 | 88.6 Ų | 88.6 | 48% | 0.483 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.5 | -49.1 | 176.9 | -170.3 | -172.5 | 79.6 | -171.3 | 5.3 | 111.6 | R114 Q115 V116 Q120 K121 E122 | R114-R118 WeakPolarHBondContact O-CB 3.4Å; R114-R118 PolarHBondContact O-N 3.06Å; Q115-R118 PolarHBondContact O-N 3.4Å; V116-R118 PolarHBondContact O-N 3.39Å; R118-Q120 VanDerWaalsContact C-N 3.31Å; R118-Q120 PolarHBondContact O-N 3.25Å; R118-K121 WeakPolarHBondContact O-CB 3.39Å; R118-K121 PolarHBondContact O-N 3.45Å; R118-E122 WeakPolarHBondContact CG-OE1 3.35Å; R118-E122 IonicContact NE-OE1 2.63Å; R118-E122 PolarHBondContact NE-OE1 3.28Å; R118-E122 WeakPolarHBondContact O-CG 3.27Å; R118-E122 PolarHBondContact O-N 2.85Å |
| 119 | L | 98.5 | Very high | 97.8 | Very high | 82 Ų | 82 | 91.1 Ų | 91.1 | 43% | 0.429 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 179.8 | -71.1 | 173 | 0 | 0 | 0 | 111.7 | Q115 V116 K121 E122 L123 | Q115-L119 HydrophobicContact CG-CD1 3.99Å; Q115-L119 HydrophobicContact CG-CG 4.43Å; Q115-L119 WeakPolarHBondContact O-CB 3.47Å; Q115-L119 VanDerWaalsContact O-CG 3.27Å; Q115-L119 WeakPolarHBondContact O-CG 3.35Å; Q115-L119 PolarHBondContact O-N 2.96Å; V116-L119 PolarHBondContact O-N 2.87Å; L119-K121 VanDerWaalsContact C-N 3.35Å; L119-K121 PolarHBondContact O-N 3.47Å; L119-E122 PolarHBondContact O-N 3.3Å; L119-L123 WeakPolarHBondContact O-CB 3.41Å; L119-L123 PolarHBondContact O-N 3.17Å |
| 120 | Q | 98.2 | Very high | 97.7 | Very high | 73 Ų | 73 | 92.5 Ų | 92.5 | 34% | 0.341 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 174.5 | -172.1 | 61.5 | 55.9 | 0 | 0 | 111.3 | V116 H117 R118 E122 L123 D124 | V116-Q120 WeakPolarHBondContact O-CB 3.47Å; V116-Q120 PolarHBondContact O-N 3.23Å; H117-Q120 PolarHBondContact O-N 2.94Å; R118-Q120 VanDerWaalsContact C-N 3.31Å; R118-Q120 PolarHBondContact O-N 3.25Å; Q120-E122 PolarHBondContact O-N 3.42Å; Q120-L123 WeakPolarHBondContact O-CB 3.42Å; Q120-L123 PolarHBondContact O-N 3.46Å; Q120-D124 PolarHBondContact NE2-OD1 3.15Å; Q120-D124 PolarHBondContact O-N 2.97Å |
| 121 | K | 98.2 | Very high | 97.6 | Very high | 142 Ų | 142 | 96.2 Ų | 96.2 | 62% | 0.617 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.2 | -40.1 | 176.8 | -175.7 | 179.7 | 178.4 | -179.4 | 0 | 112.7 | H117 R118 L119 D124 T125 | H117-K121 PolarHBondContact O-N 2.99Å; H117-K121 VanDerWaalsContact O-N 3.12Å; R118-K121 WeakPolarHBondContact O-CB 3.39Å; R118-K121 PolarHBondContact O-N 3.45Å; L119-K121 VanDerWaalsContact C-N 3.35Å; L119-K121 PolarHBondContact O-N 3.47Å; K121-D124 PolarHBondContact O-N 3.28Å; K121-T125 WeakPolarHBondContact O-CB 3.46Å; K121-T125 PolarHBondContact O-N 3.35Å; K121-T125 PolarHBondContact O-OG1 3.47Å |
| 122 | E | 98.1 | Very high | 97.4 | Very high | 98 Ų | 98 | 99.2 Ų | 99.2 | 46% | 0.458 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 174.5 | -72.5 | 170 | -160.4 | 0 | 0 | 110.8 | R118 L119 Q120 T125 A126 | R118-E122 WeakPolarHBondContact CG-OE1 3.35Å; R118-E122 IonicContact NE-OE1 2.63Å; R118-E122 PolarHBondContact NE-OE1 3.28Å; R118-E122 WeakPolarHBondContact O-CG 3.27Å; R118-E122 PolarHBondContact O-N 2.85Å; L119-E122 PolarHBondContact O-N 3.3Å; Q120-E122 PolarHBondContact O-N 3.42Å; E122-T125 PolarHBondContact O-N 3.05Å; E122-A126 WeakPolarHBondContact O-CB 3.4Å; E122-A126 PolarHBondContact O-N 2.92Å |
| 123 | L | 98.2 | Very high | 97.1 | Very high | 81 Ų | 81 | 99.9 Ų | 99.9 | 42% | 0.424 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 175.5 | -166.3 | 90.2 | 0 | 0 | 0 | 111.7 | L119 Q120 T125 A126 H127 | L119-L123 WeakPolarHBondContact O-CB 3.41Å; L119-L123 PolarHBondContact O-N 3.17Å; Q120-L123 WeakPolarHBondContact O-CB 3.42Å; Q120-L123 PolarHBondContact O-N 3.46Å; L123-T125 VanDerWaalsContact C-N 3.29Å; L123-T125 PolarHBondContact O-N 2.87Å; L123-A126 PolarHBondContact O-N 3.46Å; L123-H127 WeakPolarHBondContact O-CB 3.27Å; L123-H127 VanDerWaalsContact O-CG 3.3Å; L123-H127 PolarHBondContact O-N 3.42Å |
| 124 | D | 97.9 | Very high | 96.9 | Very high | 85 Ų | 85 | 98.9 Ų | 98.9 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.9 | -39.3 | 179.4 | -64 | -19.8 | 0 | 0 | 0 | 111.3 | Q120 K121 A128 | Q120-D124 PolarHBondContact NE2-OD1 3.15Å; Q120-D124 PolarHBondContact O-N 2.97Å; K121-D124 PolarHBondContact O-N 3.28Å; D124-A128 WeakPolarHBondContact O-CB 3.41Å; D124-A128 PolarHBondContact O-N 3.46Å |
| 125 | T | 97.5 | Very high | 96.4 | Very high | 86 Ų | 86 | 94 Ų | 94 | 53% | 0.528 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.5 | -45.6 | 176 | -55 | 0 | 0 | 0 | 0 | 111.2 | K121 E122 L123 A128 E129 | K121-T125 WeakPolarHBondContact O-CB 3.46Å; K121-T125 PolarHBondContact O-N 3.35Å; K121-T125 PolarHBondContact O-OG1 3.47Å; E122-T125 PolarHBondContact O-N 3.05Å; L123-T125 VanDerWaalsContact C-N 3.29Å; L123-T125 PolarHBondContact O-N 2.87Å; T125-A128 PolarHBondContact O-N 2.89Å; T125-E129 PolarHBondContact O-N 3.01Å |
| 126 | A | 97.7 | Very high | 94.9 | Very high | 44 Ų | 44 | 93.5 Ų | 93.5 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.5 | -41 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E122 L123 E129 L130 | E122-A126 WeakPolarHBondContact O-CB 3.4Å; E122-A126 PolarHBondContact O-N 2.92Å; L123-A126 PolarHBondContact O-N 3.46Å; A126-E129 PolarHBondContact O-N 3.27Å; A126-L130 WeakPolarHBondContact O-CG 3.48Å; A126-L130 PolarHBondContact O-N 2.91Å |
| 127 | H | 97.4 | Very high | 92.8 | Very high | 95 Ų | 95 | 97.9 Ų | 97.9 | 44% | 0.44 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 174.4 | -73.5 | 171.5 | 0 | 0 | 0 | 112 | L123 E129 L130 L131 | L123-H127 WeakPolarHBondContact O-CB 3.27Å; L123-H127 VanDerWaalsContact O-CG 3.3Å; L123-H127 PolarHBondContact O-N 3.42Å; H127-E129 VanDerWaalsContact C-N 3.31Å; H127-E129 PolarHBondContact O-N 2.9Å; H127-L130 PolarHBondContact O-N 3.4Å; H127-L131 WeakPolarHBondContact O-CG 3.48Å; H127-L131 PolarHBondContact O-N 2.89Å |
| 128 | A | 96 | Very high | 90.7 | Very high | 60 Ų | 60 | 97.2 Ų | 97.2 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.3 | -39 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | D124 T125 L131 R132 | D124-A128 WeakPolarHBondContact O-CB 3.41Å; D124-A128 PolarHBondContact O-N 3.46Å; T125-A128 PolarHBondContact O-N 2.89Å; A128-L131 PolarHBondContact O-N 2.86Å; A128-R132 PolarHBondContact O-N 3.29Å |
| 129 | E | 95.8 | Very high | 88.3 | Confident | 89 Ų | 89 | 94.2 Ų | 94.2 | 42% | 0.416 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.1 | -44.5 | 175.1 | -179.7 | 170.9 | -163.4 | 0 | 0 | 112.1 | T125 A126 H127 L131 R132 Y133 | T125-E129 PolarHBondContact O-N 3.01Å; A126-E129 PolarHBondContact O-N 3.27Å; H127-E129 VanDerWaalsContact C-N 3.31Å; H127-E129 PolarHBondContact O-N 2.9Å; E129-L131 VanDerWaalsContact C-N 3.35Å; E129-L131 PolarHBondContact O-N 3.49Å; E129-R132 WeakPolarHBondContact O-CB 3.48Å; E129-R132 PolarHBondContact O-N 2.89Å; E129-R132 IonicContact OE1-NH2 3.29Å; E129-Y133 HydrophobicContact CG-CD2 3.85Å; E129-Y133 HydrophobicContact CG-CE2 3.36Å; E129-Y133 WeakPolarHBondContact O-CD2 3.41Å; E129-Y133 PolarHBondContact O-N 3.19Å; E129-Y133 VanDerWaalsContact OE1-CE2 3.26Å; E129-Y133 WeakPolarHBondContact OE1-CE2 3.43Å; E129-Y133 PolarHBondContact OE1-OH 3.12Å |
| 130 | L | 95.4 | Very high | 86 | Confident | 113 Ų | 113 | 98 Ų | 98 | 59% | 0.592 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.2 | -41.4 | 175.4 | -74.1 | 173.3 | 0 | 0 | 0 | 112.2 | A126 H127 R132 Y133 A134 | A126-L130 WeakPolarHBondContact O-CG 3.48Å; A126-L130 PolarHBondContact O-N 2.91Å; H127-L130 PolarHBondContact O-N 3.4Å; L130-R132 VanDerWaalsContact C-N 3.32Å; L130-R132 PolarHBondContact O-N 3.34Å; L130-Y133 PolarHBondContact O-N 2.75Å; L130-A134 WeakPolarHBondContact O-CB 3.42Å; L130-A134 PolarHBondContact O-N 3.49Å |
| 131 | L | 95.1 | Very high | 83.3 | Confident | 114 Ų | 114 | 99.9 Ų | 99.9 | 60% | 0.597 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63 | -38.9 | 175.2 | -74.5 | 172.6 | 0 | 0 | 0 | 111.8 | H127 A128 E129 A134 C135 | H127-L131 WeakPolarHBondContact O-CG 3.48Å; H127-L131 PolarHBondContact O-N 2.89Å; A128-L131 PolarHBondContact O-N 2.86Å; E129-L131 VanDerWaalsContact C-N 3.35Å; E129-L131 PolarHBondContact O-N 3.49Å; L131-A134 PolarHBondContact O-N 3.25Å; L131-C135 PolarHBondContact O-N 3.46Å; L131-C135 PolarHBondContact O-SG 3.47Å |
| 132 | R | 93.6 | Very high | 80.8 | Confident | 143 Ų | 143 | 99.9 Ų | 99.9 | 54% | 0.54 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.8 | -43.9 | 174.9 | -174.1 | -174.4 | 63.6 | 85 | 0.2 | 111.6 | A128 E129 L130 G136 | A128-R132 PolarHBondContact O-N 3.29Å; E129-R132 WeakPolarHBondContact O-CB 3.48Å; E129-R132 PolarHBondContact O-N 2.89Å; E129-R132 IonicContact OE1-NH2 3.29Å; L130-R132 VanDerWaalsContact C-N 3.32Å; L130-R132 PolarHBondContact O-N 3.34Å; R132-G136 WeakPolarHBondContact O-CA 3.39Å; R132-G136 PolarHBondContact O-N 3.33Å |
| 133 | Y | 92.2 | Very high | 78.4 | Confident | 124 Ų | 124 | 100 Ų | 100 | 49% | 0.486 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.2 | -42 | 175.5 | -70.9 | -62.4 | 0 | 0 | 0 | 112.2 | E129 L130 C135 G136 | E129-Y133 HydrophobicContact CG-CD2 3.85Å; E129-Y133 HydrophobicContact CG-CE2 3.36Å; E129-Y133 WeakPolarHBondContact O-CD2 3.41Å; E129-Y133 PolarHBondContact O-N 3.19Å; E129-Y133 VanDerWaalsContact OE1-CE2 3.26Å; E129-Y133 WeakPolarHBondContact OE1-CE2 3.43Å; E129-Y133 PolarHBondContact OE1-OH 3.12Å; L130-Y133 PolarHBondContact O-N 2.75Å; Y133-C135 VanDerWaalsContact C-N 3.33Å; Y133-C135 PolarHBondContact O-N 3.44Å; Y133-G136 PolarHBondContact O-N 3.36Å |
| 134 | A | 92.9 | Very high | 76.3 | Confident | 75 Ų | 75 | 103.8 Ų | 103.8 | 62% | 0.62 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.9 | -33.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L130 L131 | L130-A134 WeakPolarHBondContact O-CB 3.42Å; L130-A134 PolarHBondContact O-N 3.49Å; L131-A134 PolarHBondContact O-N 3.25Å |
| 135 | C | 88.1 | Confident | 74.2 | Confident | 51 Ų | 51 | 105.7 Ų | 105.7 | 35% | 0.345 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -92.4 | -24.9 | 177.9 | -54.9 | 0 | 0 | 0 | 0 | 113 | L131 Y133 Y197 | L131-C135 PolarHBondContact O-N 3.46Å; L131-C135 PolarHBondContact O-SG 3.47Å; Y133-C135 VanDerWaalsContact C-N 3.33Å; Y133-C135 PolarHBondContact O-N 3.44Å; C135-Y197 VanDerWaalsContact SG-CE2 3.51Å |
| 136 | G | 66.9 | Low | 72.4 | Confident | 58 Ų | 58 | 108.1 Ų | 108.1 | 60% | 0.598 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -80.7 | -9.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | R132 Y133 V138 | R132-G136 WeakPolarHBondContact O-CA 3.39Å; R132-G136 PolarHBondContact O-N 3.33Å; Y133-G136 PolarHBondContact O-N 3.36Å; G136-V138 PolarHBondContact O-N 3Å |
| 137 | E | 55.6 | Low | 70.1 | Confident | 176 Ų | 176 | 112.3 Ų | 112.3 | 82% | 0.822 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 7 | 172.5 | -149.3 | 92.4 | -165.1 | 0 | 0 | 112.6 | ||
| 138 | V | 52.4 | Low | 67.9 | Low | 125 Ų | 125 | 112.9 Ų | 112.9 | 76% | 0.758 | 68% | 0.684 | S | S | * | * | trans | -113.9 | 74 | 172.4 | -170.6 | 0 | 0 | 0 | 0 | 109.4 | G136 | G136-V138 PolarHBondContact O-N 3Š| ||
| 139 | G | 48 | Very low | 66 | Low | 64 Ų | 64 | 114.7 Ų | 114.7 | 66% | 0.66 | 70% | 0.699 | S | S | * | * | trans | -155.5 | 59.2 | 180 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 140 | I | 50.3 | Low | 64.1 | Low | 162 Ų | 162 | 116.4 Ų | 116.4 | 83% | 0.831 | 72% | 0.718 | S | S | * | * | trans | -61.8 | 141.5 | 167.3 | -61.7 | 172.4 | 0 | 0 | 0 | 108.6 | ||||
| 141 | P | 40.9 | Very low | 62.3 | Low | 113 Ų | 113 | 123.1 Ų | 123.1 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | trans | -90.2 | 127.9 | -152.3 | 33.6 | -32.1 | 0 | 0 | 0 | 113.4 | ||||
| 142 | T | 46.4 | Very low | 60.3 | Low | 141 Ų | 141 | 126 Ų | 126 | 87% | 0.865 | 75% | 0.751 | S | S | * | * | trans | -162.1 | 117.5 | 169.5 | -28.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 143 | A | 47.2 | Very low | 58.3 | Low | 102 Ų | 102 | 123.8 Ų | 123.8 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | 148.3 | 120.3 | 134.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 144 | L | 56 | Low | 56.2 | Low | 159 Ų | 159 | 122.7 Ų | 122.7 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -66.1 | 157.3 | -176.4 | -63.5 | 150.7 | 0 | 0 | 0 | 113.3 | V146 | L144-V146 PolarHBondContact O-N 2.79Š| ||
| 145 | P | 52.1 | Low | 54.1 | Low | 126 Ų | 126 | 124.2 Ų | 124.2 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -77.4 | 111.3 | 169.7 | 31.2 | -29.7 | 0 | 0 | 0 | 110 | ||||
| 146 | V | 60.2 | Low | 52.6 | Low | 137 Ų | 137 | 130.4 Ų | 130.4 | 83% | 0.83 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 127.8 | 165 | 175.9 | 0 | 0 | 0 | 0 | 108.5 | L144 | L144-V146 PolarHBondContact O-N 2.79Š|
| 147 | T | 49.5 | Very low | 52.3 | Low | 132 Ų | 132 | 133.4 Ų | 133.4 | 81% | 0.81 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 133 | -174.8 | 45.5 | 0 | 0 | 0 | 0 | 115.6 | ||
| 148 | A | 52 | Low | 52.5 | Low | 106 Ų | 106 | 129.5 Ų | 129.5 | 88% | 0.876 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 128.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 149 | A | 56.2 | Low | 52.6 | Low | 98 Ų | 98 | 130 Ų | 130 | 81% | 0.81 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 134.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 150 | P | 54.6 | Low | 53.1 | Low | 125 Ų | 125 | 130.3 Ų | 130.3 | 81% | 0.812 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 140.7 | 177 | 34.5 | -28.6 | 0 | 0 | 0 | 110.9 | ||
| 151 | R | 57.8 | Low | 53.1 | Low | 255 Ų | 255 | 131.4 Ų | 131.4 | 96% | 0.962 | 84% | 0.835 | S | S | * | * | trans | -120.5 | 123.9 | 161.2 | -77.8 | -165.3 | 158.2 | -110.6 | -4 | 110.2 | ||||
| 152 | L | 54.3 | Low | 53.4 | Low | 175 Ų | 175 | 134 Ų | 134 | 92% | 0.916 | 84% | 0.842 | S | S | * | * | trans | -70 | 166.5 | 175.5 | -81.2 | 143.6 | 0 | 0 | 0 | 112.7 | ||||
| 153 | A | 49.9 | Very low | 53.3 | Low | 95 Ų | 95 | 131.7 Ų | 131.7 | 79% | 0.785 | 84% | 0.837 | S | S | * | * | trans | 94.5 | 95.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 154 | A | 48.1 | Very low | 53.2 | Low | 102 Ų | 102 | 131.5 Ų | 131.5 | 84% | 0.843 | 84% | 0.836 | S | S | * | * | 81 | 105.3 | 75.9 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 155 | A | 50 | Low | 52.7 | Low | 106 Ų | 106 | 128.6 Ų | 128.6 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | trans | 173.4 | 118.9 | 138.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 156 | M | 56.2 | Low | 52.2 | Low | 181 Ų | 181 | 129.2 Ų | 129.2 | 89% | 0.892 | 84% | 0.836 | S | S | * | * | trans | -92.1 | 152.9 | 158.9 | -76.3 | -92 | 162.7 | 0 | 0 | 107.8 | ||||
| 157 | P | 60.1 | Low | 51.6 | Low | 122 Ų | 122 | 128.2 Ų | 128.2 | 79% | 0.792 | 84% | 0.835 | S | S | * | * | -151.9 | 151.8 | 98 | 35.3 | -15.8 | 0 | 0 | 0 | 117.5 | |||||
| 158 | A | 60.5 | Low | 51.3 | Low | 94 Ų | 94 | 126.6 Ų | 126.6 | 78% | 0.777 | 84% | 0.835 | S | S | * | * | trans | 52.6 | 139.9 | 142.4 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 159 | P | 54.4 | Low | 50.9 | Low | 135 Ų | 135 | 125.5 Ų | 125.5 | 88% | 0.877 | 83% | 0.834 | S | S | * | * | trans | -98.6 | 148.1 | 175.9 | 37.8 | -30 | 0 | 0 | 0 | 113.4 | ||||
| 160 | G | 57.9 | Low | 50.6 | Low | 70 Ų | 70 | 127.1 Ų | 127.1 | 72% | 0.722 | 83% | 0.826 | S | S | * | * | trans | -170.9 | 104.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 161 | Q | 51.6 | Low | 50.5 | Low | 186 Ų | 186 | 131 Ų | 131 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | trans | 61.2 | 131.8 | 140.4 | -52.7 | -174 | 16.8 | 0 | 0 | 122.3 | ||||
| 162 | L | 46 | Very low | 49.7 | Very low | 166 Ų | 166 | 122.8 Ų | 122.8 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | trans | 141.6 | 97.4 | 140.1 | -76.3 | 160.1 | 0 | 0 | 0 | 109.6 | ||||
| 163 | A | 44.4 | Very low | 49.3 | Very low | 93 Ų | 93 | 118.6 Ų | 118.6 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | 77.6 | 112.4 | 86.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 164 | A | 45 | Very low | 49 | Very low | 99 Ų | 99 | 118.1 Ų | 118.1 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | 172.2 | 126.4 | 131.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 165 | A | 45.2 | Very low | 49 | Very low | 97 Ų | 97 | 125.1 Ų | 125.1 | 80% | 0.802 | 83% | 0.829 | S | S | * | * | trans | 58.5 | 133.9 | 145.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 166 | V | 43.5 | Very low | 48.9 | Very low | 140 Ų | 140 | 131.6 Ų | 131.6 | 85% | 0.848 | 83% | 0.83 | S | S | * | * | cis | -156.3 | 148.9 | 48.6 | 164.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 167 | S | 46.6 | Very low | 48.1 | Very low | 116 Ų | 116 | 131.3 Ų | 131.3 | 81% | 0.811 | 83% | 0.832 | S | S | * | * | trans | -80.3 | 164.4 | -166.8 | -17.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 168 | A | 43 | Very low | 47.2 | Very low | 98 Ų | 98 | 128.6 Ų | 128.6 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | trans | -63.9 | 159 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 169 | G | 44.7 | Very low | 46.4 | Very low | 83 Ų | 83 | 131.1 Ų | 131.1 | 86% | 0.856 | 83% | 0.831 | S | S | * | * | trans | -148.6 | 122.6 | 158.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 170 | M | 48.9 | Very low | 46.4 | Very low | 132 Ų | 132 | 132.4 Ų | 132.4 | 65% | 0.65 | 83% | 0.829 | S | S | * | * | trans | -113.6 | 173.5 | -171 | -65.2 | 179.3 | 85 | 0 | 0 | 111.6 | ||||
| 171 | Y | 52.1 | Low | 46.1 | Very low | 206 Ų | 206 | 136.6 Ų | 136.6 | 81% | 0.808 | 84% | 0.835 | S | S | * | * | trans | 88.5 | 131.7 | 151 | -30.1 | -72.8 | 0 | 0 | 0 | 121.6 | ||||
| 172 | G | 42.1 | Very low | 45.6 | Very low | 83 Ų | 83 | 131.5 Ų | 131.5 | 86% | 0.856 | 83% | 0.832 | S | S | * | * | trans | 88.7 | 125.7 | 152.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 173 | G | 44.5 | Very low | 45.5 | Very low | 86 Ų | 86 | 126.6 Ų | 126.6 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | cis | 114.4 | 117 | 27.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 174 | G | 45.3 | Very low | 45.4 | Very low | 85 Ų | 85 | 126.3 Ų | 126.3 | 88% | 0.876 | 83% | 0.828 | S | S | * | * | trans | 133.1 | 115.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 175 | R | 46.7 | Very low | 45.7 | Very low | 250 Ų | 250 | 129.4 Ų | 129.4 | 94% | 0.943 | 83% | 0.829 | S | S | * | * | trans | -79.6 | 137.2 | 168.8 | -60.1 | 177.1 | -177.1 | -139.9 | 0.2 | 110.2 | ||||
| 176 | R | 47.4 | Very low | 46.4 | Very low | 241 Ų | 241 | 128.8 Ų | 128.8 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | trans | -163.9 | 140.4 | 143.5 | -143.2 | 171.7 | -179.6 | -125.2 | 1.4 | 112.1 | ||||
| 177 | L | 40.9 | Very low | 47.3 | Very low | 176 Ų | 176 | 127.7 Ų | 127.7 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -46.4 | 140.8 | 171.4 | -85.6 | 74 | 0 | 0 | 0 | 112.8 | ||||
| 178 | G | 40.6 | Very low | 48 | Very low | 64 Ų | 64 | 128.2 Ų | 128.2 | 66% | 0.66 | 82% | 0.82 | S | S | * | * | trans | -157.7 | 107.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | I180 | G178-I180 PolarHBondContact O-N 3.34Š| ||
| 179 | V | 44.5 | Very low | 48.6 | Very low | 148 Ų | 148 | 128 Ų | 128 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | -57.3 | 124.1 | 159.6 | 166.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 180 | I | 53.1 | Low | 49.4 | Very low | 161 Ų | 161 | 130.2 Ų | 130.2 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | -124.6 | 128.3 | 166.8 | 55.4 | 163.4 | 0 | 0 | 0 | 110 | G178 | G178-I180 PolarHBondContact O-N 3.34Š| ||
| 181 | D | 51.9 | Low | 49.1 | Very low | 158 Ų | 158 | 132.1 Ų | 132.1 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | -58.4 | 166.1 | 172.9 | -123.7 | -64.5 | 0 | 0 | 0 | 113 | G183 | D181-G183 PolarHBondContact O-N 2.98Š| ||
| 182 | G | 41.1 | Very low | 48.8 | Very low | 79 Ų | 79 | 128.9 Ų | 128.9 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | trans | -52.4 | 128.5 | -174 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 183 | G | 44.8 | Very low | 48.7 | Very low | 64 Ų | 64 | 130.1 Ų | 130.1 | 66% | 0.66 | 82% | 0.823 | S | S | * | * | trans | -130.1 | 108.1 | 165 | 0 | 0 | 0 | 0 | 0 | 109.1 | D181 I185 | D181-G183 PolarHBondContact O-N 2.98Å; G183-I185 PolarHBondContact O-N 3Å | ||
| 184 | G | 41.6 | Very low | 48.6 | Very low | 86 Ų | 86 | 128.3 Ų | 128.3 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | trans | -62.9 | 117.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 185 | I | 50.8 | Low | 48.2 | Very low | 165 Ų | 165 | 130.4 Ų | 130.4 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -92 | 108.2 | 169.7 | -61.5 | 169.5 | 0 | 0 | 0 | 106.7 | G183 | G183-I185 PolarHBondContact O-N 3Š| ||
| 186 | A | 60 | Low | 48 | Very low | 83 Ų | 83 | 129.3 Ų | 129.3 | 69% | 0.686 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 139.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 187 | P | 62.3 | Low | 47.8 | Very low | 118 Ų | 118 | 126 Ų | 126 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 144.8 | 175.6 | 28.6 | -33.1 | 0 | 0 | 0 | 111.3 | ||
| 188 | P | 61.6 | Low | 47.8 | Very low | 126 Ų | 126 | 122.4 Ų | 122.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -72 | 140.3 | 178.5 | 29.1 | -33.8 | 0 | 0 | 0 | 112.3 | ||
| 189 | S | 55.7 | Low | 47.6 | Very low | 95 Ų | 95 | 130.6 Ų | 130.6 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 133.4 | 176.9 | -54 | 0 | 0 | 0 | 0 | 112.5 | H191 | S189-H191 PolarHBondContact O-N 3.03Š|
| 190 | P | 60.7 | Low | 47.7 | Very low | 129 Ų | 129 | 131 Ų | 131 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -87.8 | 97.8 | 172.4 | 32.8 | -28.7 | 0 | 0 | 0 | 110.1 | ||||
| 191 | H | 43.1 | Very low | 47.1 | Very low | 171 Ų | 171 | 130.8 Ų | 130.8 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | trans | -96.6 | 95.3 | 156.5 | -65.5 | -88.2 | 0 | 0 | 0 | 107.6 | S189 | S189-H191 PolarHBondContact O-N 3.03Š| ||
| 192 | T | 46.2 | Very low | 46.6 | Very low | 139 Ų | 139 | 130.9 Ų | 130.9 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -165.8 | 128.8 | 150.8 | -71 | 0 | 0 | 0 | 0 | 107.8 | ||
| 193 | A | 39.4 | Very low | 46.7 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | -46.1 | 126.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 194 | G | 41.9 | Very low | 46.3 | Very low | 48 Ų | 48 | 132.1 Ų | 132.1 | 50% | 0.495 | 80% | 0.799 | S | S | . | * | trans | -133.7 | 122.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y196 | G194-Y196 WeakPolarHBondContact O-CD2 3.49Å; G194-Y196 WeakPolarHBondContact O-CE2 3.35Å; G194-Y196 PolarHBondContact O-N 3.39Å | ||
| 195 | C | 38.5 | Very low | 45.9 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 117.1 | -177.9 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | ||
| 196 | Y | 42.3 | Very low | 45.7 | Very low | 227 Ų | 227 | 134 Ų | 134 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 117.3 | 169 | -54.3 | -83.7 | 0 | 0 | 0 | 109 | G194 | G194-Y196 WeakPolarHBondContact O-CD2 3.49Å; G194-Y196 WeakPolarHBondContact O-CE2 3.35Å; G194-Y196 PolarHBondContact O-N 3.39Å |
| 197 | Y | 43.2 | Very low | 44.5 | Very low | 171 Ų | 171 | 133.4 Ų | 133.4 | 67% | 0.671 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 116.4 | 165.6 | -95.6 | -87.5 | 0 | 0 | 0 | 109.5 | C135 R199 | C135-Y197 VanDerWaalsContact SG-CE2 3.51Å; Y197-R199 PolarHBondContact O-N 3.33Å |
| 198 | A | 40.5 | Very low | 43.4 | Very low | 101 Ų | 101 | 132.4 Ų | 132.4 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -73.6 | 114.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 199 | R | 37.3 | Very low | 42.4 | Very low | 236 Ų | 236 | 133.3 Ų | 133.3 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | trans | -89.8 | 117.2 | 169 | -161.4 | 169.8 | -176.3 | 125 | -1.7 | 108.5 | Y197 N201 | Y197-R199 PolarHBondContact O-N 3.33Å; R199-N201 PolarHBondContact O-N 2.83Å | ||
| 200 | N | 45.7 | Very low | 42 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | trans | -65.5 | 124.9 | -178.8 | -165 | 8.2 | 0 | 0 | 0 | 110.7 | ||||
| 201 | N | 41.1 | Very low | 41.5 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | -84.5 | 112.5 | -180 | -88 | -34.9 | 0 | 0 | 0 | 110.3 | R199 | R199-N201 PolarHBondContact O-N 2.83Š| ||
| 202 | N | 41.7 | Very low | 41.9 | Very low | 161 Ų | 161 | 129.8 Ų | 129.8 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | -140.9 | 88.3 | 154.8 | -167.9 | 7.1 | 0 | 0 | 0 | 109.4 | ||||
| 203 | A | 42.7 | Very low | 42.4 | Very low | 94 Ų | 94 | 130 Ų | 130 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 155.9 | 117.4 | 142.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 204 | G | 35.2 | Very low | 42.9 | Very low | 74 Ų | 74 | 131.6 Ų | 131.6 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | trans | 83.2 | 79.6 | 144.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | I206 | G204-I206 PolarHBondContact O-N 3.24Š| ||
| 205 | S | 33.9 | Very low | 43.6 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -14 | 115.4 | 147.2 | 50 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 206 | I | 45.9 | Very low | 44.4 | Very low | 172 Ų | 172 | 135 Ų | 135 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | trans | -158.3 | 117.6 | 130.9 | -41.8 | -179.7 | 0 | 0 | 0 | 109.5 | G204 | G204-I206 PolarHBondContact O-N 3.24Š| ||
| 207 | G | 35.8 | Very low | 44.8 | Very low | 70 Ų | 70 | 128 Ų | 128 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | 60.5 | 111.3 | 136.5 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 208 | A | 39.8 | Very low | 45.4 | Very low | 97 Ų | 97 | 123.6 Ų | 123.6 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | trans | 70.6 | 120.2 | 135 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 209 | D | 38.9 | Very low | 46.1 | Very low | 146 Ų | 146 | 122.3 Ų | 122.3 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | trans | 61.4 | 83.9 | 143.2 | -115.1 | -67.2 | 0 | 0 | 0 | 118 | ||||
| 210 | V | 47.5 | Very low | 46.8 | Very low | 148 Ų | 148 | 113.2 Ų | 113.2 | 90% | 0.897 | 72% | 0.718 | S | S | * | * | trans | -111.1 | 77.8 | 154.6 | -172 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 211 | A | 50.5 | Low | 46.8 | Very low | 60 Ų | 60 | 111.5 Ų | 111.5 | 50% | 0.496 | 71% | 0.708 | S | S | . | * | trans | -59.1 | 146.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110 | V213 | A211-V213 PolarHBondContact O-N 3.45Š| ||
| 212 | P | 51 | Low | 47.1 | Very low | 112 Ų | 112 | 113.7 Ų | 113.7 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | trans | -59 | 133 | -179.3 | 23.9 | -32.4 | 0 | 0 | 0 | 110.1 | L214 | P212-L214 PolarHBondContact O-N 2.96Š| ||
| 213 | V | 56.7 | Low | 47.8 | Very low | 144 Ų | 144 | 110.2 Ų | 110.2 | 87% | 0.873 | 69% | 0.69 | S | S | * | * | trans | -61.5 | 87.9 | 171.8 | 179.4 | 0 | 0 | 0 | 0 | 107.8 | A211 | A211-V213 PolarHBondContact O-N 3.45Š| ||
| 214 | L | 50 | Low | 48.5 | Very low | 141 Ų | 141 | 108.8 Ų | 108.8 | 74% | 0.738 | 67% | 0.671 | S | S | * | * | trans | -65.1 | 142.2 | 164.9 | -73.3 | 175.9 | 0 | 0 | 0 | 107.9 | P212 Y216 | P212-L214 PolarHBondContact O-N 2.96Å; L214-Y216 PolarHBondContact O-N 3.25Å | ||
| 215 | P | 56.5 | Low | 49.3 | Very low | 95 Ų | 95 | 110.5 Ų | 110.5 | 62% | 0.617 | 66% | 0.663 | S | S | * | * | trans | -56.7 | 115.7 | -178.8 | -19.6 | 29.8 | 0 | 0 | 0 | 110 | A217 S218 | P215-A217 HydrophobicContact CB-CB 4.36Å; P215-A217 PolarHBondContact O-N 3.44Å; P215-S218 PolarHBondContact O-N 2.93Å | ||
| 216 | Y | 55.6 | Low | 50.1 | Low | 155 Ų | 155 | 107.4 Ų | 107.4 | 61% | 0.608 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -8.6 | 175.9 | -165.7 | -95.3 | 0 | 0 | 0 | 112.8 | L214 S218 V219 A220 | L214-Y216 PolarHBondContact O-N 3.25Å; Y216-S218 PolarHBondContact O-N 3.46Å; Y216-V219 HydrophobicContact CD1-CG2 3.95Å; Y216-V219 HydrophobicContact CD2-CG2 3.39Å; Y216-V219 HydrophobicContact CE1-CG2 3.97Å; Y216-V219 HydrophobicContact CE2-CG2 3.41Å; Y216-V219 VanDerWaalsContact CE2-CG2 3.41Å; Y216-V219 HydrophobicContact CG-CG2 3.67Å; Y216-V219 VanDerWaalsContact O-CG2 3.27Å; Y216-V219 WeakPolarHBondContact O-CG2 3.37Å; Y216-V219 PolarHBondContact O-N 3.5Å; Y216-A220 PolarHBondContact O-N 3.29Å |
| 217 | A | 52.2 | Low | 50.5 | Low | 79 Ų | 79 | 104.7 Ų | 104.7 | 65% | 0.653 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -56.3 | -28.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | P215 | P215-A217 HydrophobicContact CB-CB 4.36Å; P215-A217 PolarHBondContact O-N 3.44Å |
| 218 | S | 55.1 | Low | 51.1 | Low | 78 Ų | 78 | 104.5 Ų | 104.5 | 55% | 0.545 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -78.8 | -27.4 | 179.9 | -167 | 0 | 0 | 0 | 0 | 113.7 | P215 Y216 | P215-S218 PolarHBondContact O-N 2.93Å; Y216-S218 PolarHBondContact O-N 3.46Å |
| 219 | V | 55.4 | Low | 51.5 | Low | 75 Ų | 75 | 104.5 Ų | 104.5 | 46% | 0.455 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -87.1 | -28.8 | -177.9 | -63.6 | 0 | 0 | 0 | 0 | 112.8 | Y216 N221 W222 T223 | Y216-V219 HydrophobicContact CD1-CG2 3.95Å; Y216-V219 HydrophobicContact CD2-CG2 3.39Å; Y216-V219 HydrophobicContact CE1-CG2 3.97Å; Y216-V219 HydrophobicContact CE2-CG2 3.41Å; Y216-V219 VanDerWaalsContact CE2-CG2 3.41Å; Y216-V219 HydrophobicContact CG-CG2 3.67Å; Y216-V219 VanDerWaalsContact O-CG2 3.27Å; Y216-V219 WeakPolarHBondContact O-CG2 3.37Å; Y216-V219 PolarHBondContact O-N 3.5Å; V219-N221 PolarHBondContact O-N 3.34Å; V219-W222 PolarHBondContact O-N 3.45Å; V219-T223 PolarHBondContact O-N 3.25Å; V219-T223 PolarHBondContact O-OG1 2.89Å |
| 220 | A | 51.7 | Low | 52 | Low | 45 Ų | 45 | 103 Ų | 103 | 37% | 0.372 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -69.8 | -30.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y216 T223 V224 | Y216-A220 PolarHBondContact O-N 3.29Å; A220-T223 PolarHBondContact O-OG1 3.04Å; A220-V224 WeakPolarHBondContact O-CG2 3.39Å |
| 221 | N | 45.2 | Very low | 52.1 | Low | 121 Ų | 121 | 101.1 Ų | 101.1 | 65% | 0.647 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -76.3 | -25.1 | 178.6 | -151.3 | 29.1 | 0 | 0 | 0 | 112.6 | V219 N225 | V219-N221 PolarHBondContact O-N 3.34Å; N221-N225 PolarHBondContact O-N 3.39Å |
| 222 | W | 47.7 | Very low | 51.9 | Low | 202 Ų | 202 | 104 Ų | 104 | 77% | 0.765 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -75.1 | -38.7 | 178.3 | -77.4 | 53.1 | 0 | 0 | 0 | 112.2 | V219 A226 | V219-W222 PolarHBondContact O-N 3.45Å; W222-A226 WeakPolarHBondContact O-CB 3.34Å; W222-A226 PolarHBondContact O-N 3.45Å; W222-A226 VanDerWaalsContact O-N 3.17Å |
| 223 | T | 57.5 | Low | 51.4 | Low | 88 Ų | 88 | 106 Ų | 106 | 54% | 0.54 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -70.7 | -34.6 | -179.3 | 14.6 | 0 | 0 | 0 | 0 | 112.4 | V219 A220 I227 | V219-T223 PolarHBondContact O-N 3.25Å; V219-T223 PolarHBondContact O-OG1 2.89Å; A220-T223 PolarHBondContact O-OG1 3.04Å; T223-I227 VanDerWaalsContact O-CD1 3.31Å; T223-I227 WeakPolarHBondContact O-CD1 3.18Å; T223-I227 VanDerWaalsContact O-CG1 3.31Å; T223-I227 WeakPolarHBondContact O-CG1 3.39Å; T223-I227 PolarHBondContact O-N 3.3Å |
| 224 | V | 56 | Low | 51 | Low | 63 Ų | 63 | 105.1 Ų | 105.1 | 38% | 0.382 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -71.2 | -40.2 | 177.7 | 177.4 | 0 | 0 | 0 | 0 | 111.6 | A220 I227 S228 | A220-V224 WeakPolarHBondContact O-CG2 3.39Å; V224-I227 PolarHBondContact O-N 3.48Å; V224-S228 PolarHBondContact O-N 3.05Å; V224-S228 PolarHBondContact O-OG 3.02Å |
| 225 | N | 53 | Low | 50.4 | Low | 110 Ų | 110 | 102.2 Ų | 102.2 | 59% | 0.588 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -72.5 | -31.2 | -179.6 | -144.4 | 22.7 | 0 | 0 | 0 | 112.6 | N221 I227 S228 T229 | N221-N225 PolarHBondContact O-N 3.39Å; N225-I227 VanDerWaalsContact C-N 3.35Å; N225-I227 PolarHBondContact O-N 3.38Å; N225-S228 PolarHBondContact O-N 2.9Å; N225-T229 WeakPolarHBondContact O-CG2 3.26Å; N225-T229 PolarHBondContact O-N 3.19Å; N225-T229 VanDerWaalsContact O-N 3.16Å; N225-T229 PolarHBondContact O-OG1 3.47Å |
| 226 | A | 50.9 | Low | 49.9 | Very low | 55 Ų | 55 | 103.4 Ų | 103.4 | 46% | 0.455 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -67.2 | -32.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | W222 T229 T230 | W222-A226 WeakPolarHBondContact O-CB 3.34Å; W222-A226 PolarHBondContact O-N 3.45Å; W222-A226 VanDerWaalsContact O-N 3.17Å; A226-T229 PolarHBondContact O-OG1 3.03Å; A226-T229 VanDerWaalsContact O-OG1 3.06Å; A226-T230 PolarHBondContact O-OG1 2.88Å |
| 227 | I | 53.9 | Low | 49.4 | Very low | 114 Ų | 114 | 105 Ų | 105 | 59% | 0.585 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -78.6 | -31 | 178 | -62.4 | 163.1 | 0 | 0 | 0 | 111 | T223 V224 N225 T230 T231 | T223-I227 VanDerWaalsContact O-CD1 3.31Å; T223-I227 WeakPolarHBondContact O-CD1 3.18Å; T223-I227 VanDerWaalsContact O-CG1 3.31Å; T223-I227 WeakPolarHBondContact O-CG1 3.39Å; T223-I227 PolarHBondContact O-N 3.3Å; V224-I227 PolarHBondContact O-N 3.48Å; N225-I227 VanDerWaalsContact C-N 3.35Å; N225-I227 PolarHBondContact O-N 3.38Å; I227-T230 PolarHBondContact O-OG1 3.43Å; I227-T231 PolarHBondContact O-OG1 3.33Å |
| 228 | S | 48.8 | Very low | 49 | Very low | 67 Ų | 67 | 106.9 Ų | 106.9 | 47% | 0.469 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -73 | -30.3 | 174.9 | -64.5 | 0 | 0 | 0 | 0 | 113.4 | V224 N225 T230 | V224-S228 PolarHBondContact O-N 3.05Å; V224-S228 PolarHBondContact O-OG 3.02Å; N225-S228 PolarHBondContact O-N 2.9Å; S228-T230 VanDerWaalsContact C-N 3.34Å; S228-T230 PolarHBondContact O-N 3.43Å |
| 229 | T | 46.9 | Very low | 48.9 | Very low | 97 Ų | 97 | 111.3 Ų | 111.3 | 60% | 0.595 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -15.4 | 179.6 | 47.1 | 0 | 0 | 0 | 0 | 114.7 | N225 A226 | N225-T229 WeakPolarHBondContact O-CG2 3.26Å; N225-T229 PolarHBondContact O-N 3.19Å; N225-T229 VanDerWaalsContact O-N 3.16Å; N225-T229 PolarHBondContact O-OG1 3.47Å; A226-T229 PolarHBondContact O-OG1 3.03Å; A226-T229 VanDerWaalsContact O-OG1 3.06Å |
| 230 | T | 50.9 | Low | 48.4 | Very low | 113 Ų | 113 | 111 Ų | 111 | 69% | 0.693 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -0.3 | -177.5 | 51.1 | 0 | 0 | 0 | 0 | 114.5 | A226 I227 S228 | A226-T230 PolarHBondContact O-OG1 2.88Å; I227-T230 PolarHBondContact O-OG1 3.43Å; S228-T230 VanDerWaalsContact C-N 3.34Å; S228-T230 PolarHBondContact O-N 3.43Å |
| 231 | T | 49.2 | Very low | 48.3 | Very low | 110 Ų | 110 | 116.9 Ų | 116.9 | 68% | 0.675 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -115 | 9.9 | -176 | 42 | 0 | 0 | 0 | 0 | 115.4 | I227 | I227-T231 PolarHBondContact O-OG1 3.33Š|
| 232 | T | 45.3 | Very low | 48.7 | Very low | 119 Ų | 119 | 119 Ų | 119 | 73% | 0.73 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -135.1 | 54.3 | 178.2 | 54.6 | 0 | 0 | 0 | 0 | 113.1 | ||
| 233 | N | 40.9 | Very low | 49 | Very low | 156 Ų | 156 | 117.4 Ų | 117.4 | 83% | 0.834 | 71% | 0.708 | S | S | * | * | trans | -156.3 | 78.8 | 163 | -164.1 | 12.9 | 0 | 0 | 0 | 111.8 | ||||
| 234 | S | 47.9 | Very low | 49.1 | Very low | 125 Ų | 125 | 121 Ų | 121 | 87% | 0.874 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -160.8 | 110.5 | 161.4 | 39 | 0 | 0 | 0 | 0 | 110.1 | ||
| 235 | G | 38.8 | Very low | 49 | Very low | 80 Ų | 80 | 125.9 Ų | 125.9 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | trans | 113.8 | 51.1 | 157.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 236 | S | 44.6 | Very low | 49 | Very low | 119 Ų | 119 | 124.5 Ų | 124.5 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | trans | -82.1 | 106.6 | 149 | 54.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 237 | E | 45.8 | Very low | 49.6 | Very low | 190 Ų | 190 | 125.9 Ų | 125.9 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | trans | -143.3 | 128.4 | 157.7 | -112.3 | 177.9 | 105.8 | 0 | 0 | 109.6 | ||||
| 238 | S | 43.7 | Very low | 49.8 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -113.2 | 116 | -165.4 | 41.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 239 | I | 53.9 | Low | 50.7 | Low | 171 Ų | 171 | 130.1 Ų | 130.1 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | -152 | 108.7 | 164.2 | -52 | 176.3 | 0 | 0 | 0 | 103.7 | ||||
| 240 | G | 44.1 | Very low | 51.8 | Low | 68 Ų | 68 | 130.9 Ų | 130.9 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | 127.9 | 112.2 | 62.4 | 0 | 0 | 0 | 0 | 0 | 104.8 | |||||
| 241 | M | 50.5 | Low | 52.5 | Low | 170 Ų | 170 | 137.8 Ų | 137.8 | 84% | 0.837 | 83% | 0.83 | S | S | * | * | trans | -54.2 | 139.3 | 173.1 | -79.2 | 80.6 | 162.9 | 0 | 0 | 110.3 | ||||
| 242 | D | 53.3 | Low | 52.6 | Low | 166 Ų | 166 | 139.2 Ų | 139.2 | 89% | 0.888 | 84% | 0.838 | S | S | * | * | -160.4 | 133.1 | 128.1 | -98.3 | -49.6 | 0 | 0 | 0 | 112.2 | |||||
| 243 | H | 53.4 | Low | 53 | Low | 168 Ų | 168 | 140.3 Ų | 140.3 | 78% | 0.778 | 84% | 0.844 | S | S | * | * | trans | -74.1 | 134.5 | -179.5 | -86.7 | 11.6 | 0 | 0 | 0 | 110.2 | ||||
| 244 | K | 59.4 | Low | 53.7 | Low | 164 Ų | 164 | 139.4 Ų | 139.4 | 71% | 0.713 | 84% | 0.844 | S | S | * | * | 78.1 | 129.2 | 90.7 | -170.8 | 164.3 | 171 | 169.1 | 0 | 114.7 | |||||
| 245 | E | 53.5 | Low | 54 | Low | 164 Ų | 164 | 140.2 Ų | 140.2 | 77% | 0.766 | 84% | 0.842 | S | S | * | * | trans | 72.5 | 124.3 | 164.4 | -76.5 | 169.5 | -168.9 | 0 | 0 | 115.7 | ||||
| 246 | G | 52.8 | Low | 55 | Low | 82 Ų | 82 | 144 Ų | 144 | 85% | 0.845 | 84% | 0.844 | S | S | * | * | cis | 104.4 | 103.9 | 42.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 247 | G | 64.7 | Low | 55.7 | Low | 83 Ų | 83 | 145.7 Ų | 145.7 | 86% | 0.856 | 84% | 0.844 | S | S | * | * | trans | 179.7 | 85.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 248 | D | 57.4 | Low | 56.4 | Low | 156 Ų | 156 | 142.5 Ų | 142.5 | 83% | 0.834 | 84% | 0.841 | S | S | * | * | trans | -65.2 | 144.2 | 168.1 | -149.5 | -27.1 | 0 | 0 | 0 | 110.9 | ||||
| 249 | S | 67.5 | Low | 57.4 | Low | 115 Ų | 115 | 144.5 Ų | 144.5 | 80% | 0.804 | 84% | 0.843 | S | S | * | * | trans | 162.2 | 102.8 | 142.5 | -79.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 250 | S | 70.9 | Confident | 57.6 | Low | 112 Ų | 112 | 142.3 Ų | 142.3 | 78% | 0.783 | 84% | 0.84 | S | S | * | * | trans | 4.3 | 128.8 | 138.4 | -156.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 251 | M | 64.3 | Low | 58.9 | Low | 259 Ų | 259 | 149 Ų | 149 | 100% | 1.276 | 85% | 0.853 | S | S | * | * | -160.6 | 0 | 116.3 | -118.2 | 178.6 | 158.8 | 0 | 0 | 109.6 |
Retrieved 251 of 251 residues in 628.8 ms
(Link to these results)