| 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 | 41.6 | Very low | 43.8 | Very low | 240 Ų | 240 | 153.2 Ų | 153.2 | 100% | 1.182 | 86% | 0.861 | S | S | * | * | 0 | 110.9 | 0 | -76.5 | -79.5 | -148.8 | 0 | 0 | 108.2 | |||||
| 2 | A | 42.6 | Very low | 43.2 | Very low | 106 Ų | 106 | 146.7 Ų | 146.7 | 88% | 0.876 | 85% | 0.854 | S | S | * | * | trans | 55 | 140.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 3 | A | 43.2 | Very low | 43.2 | Very low | 80 Ų | 80 | 154.8 Ų | 154.8 | 66% | 0.661 | 86% | 0.862 | S | S | * | * | cis | -174.6 | 151.9 | 0.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 4 | L | 44 | Very low | 43 | Very low | 158 Ų | 158 | 155.4 Ų | 155.4 | 83% | 0.827 | 85% | 0.854 | S | S | * | * | trans | 54.4 | 107 | 149.4 | -81.7 | 108.7 | 0 | 0 | 0 | 120.7 | ||||
| 5 | R | 41.1 | Very low | 42.9 | Very low | 230 Ų | 230 | 153.8 Ų | 153.8 | 87% | 0.868 | 84% | 0.843 | S | S | * | * | 58.2 | 118.5 | 77.6 | -76.1 | -167.9 | 179 | -162 | 1.1 | 116 | |||||
| 6 | R | 43.5 | Very low | 42.8 | Very low | 255 Ų | 255 | 154.5 Ų | 154.5 | 96% | 0.962 | 84% | 0.839 | S | S | * | * | -162.8 | 132.5 | 120.9 | -106.4 | 172.9 | -173.9 | -173.3 | 1.8 | 112.9 | |||||
| 7 | L | 42.8 | Very low | 42.5 | Very low | 159 Ų | 159 | 150.4 Ų | 150.4 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | trans | -79.7 | 168.9 | 176.2 | -73.7 | 155 | 0 | 0 | 0 | 111.7 | ||||
| 8 | V | 51.3 | Low | 42.3 | Very low | 137 Ų | 137 | 152.4 Ų | 152.4 | 83% | 0.83 | 83% | 0.83 | S | S | * | * | trans | 150.2 | 100.8 | 134.2 | 167.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 9 | S | 44.7 | Very low | 41.9 | Very low | 120 Ų | 120 | 153 Ų | 153 | 84% | 0.839 | 83% | 0.831 | S | S | * | * | 85.8 | 127.8 | 86.2 | -170.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 10 | G | 43.3 | Very low | 42 | Very low | 69 Ų | 69 | 150.6 Ų | 150.6 | 71% | 0.711 | 83% | 0.833 | S | S | * | * | trans | 146.1 | 82.8 | 153.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 11 | C | 43.3 | Very low | 41.9 | Very low | 131 Ų | 131 | 146.6 Ų | 146.6 | 89% | 0.885 | 83% | 0.826 | S | S | * | * | trans | 73.1 | 92.7 | 137.4 | -135.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 12 | G | 37.1 | Very low | 42 | Very low | 75 Ų | 75 | 141.7 Ų | 141.7 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | -93.7 | 137.1 | 142.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 13 | R | 43.8 | Very low | 42 | Very low | 253 Ų | 253 | 141 Ų | 141 | 96% | 0.955 | 81% | 0.806 | S | S | * | * | trans | -153.5 | 131.2 | 148 | -110.9 | 175.6 | -170.9 | -140.5 | 1.9 | 109.1 | ||||
| 14 | Q | 40.5 | Very low | 42 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 76% | 0.757 | 81% | 0.813 | S | S | * | * | trans | -103.3 | 162.2 | -167.8 | -112.5 | -130.6 | 0.3 | 0 | 0 | 109.5 | ||||
| 15 | L | 40.1 | Very low | 41.9 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | trans | 76.9 | 141.5 | 159.3 | -57.4 | 161.1 | 0 | 0 | 0 | 115.6 | ||||
| 16 | Q | 41.6 | Very low | 41.6 | Very low | 165 Ų | 165 | 132.5 Ų | 132.5 | 77% | 0.771 | 80% | 0.801 | S | S | * | * | cis | -164.9 | 155.9 | 20.6 | -127 | 156.8 | 17.3 | 0 | 0 | 109.3 | ||||
| 17 | A | 37.8 | Very low | 41.6 | Very low | 84 Ų | 84 | 130.4 Ų | 130.4 | 69% | 0.694 | 79% | 0.793 | S | S | * | * | trans | -64.1 | 159 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 18 | F | 38.6 | Very low | 41.2 | Very low | 188 Ų | 188 | 130.7 Ų | 130.7 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -176.2 | 112.2 | 136.2 | -92.9 | -66.4 | 0 | 0 | 0 | 111.5 | ||||
| 19 | L | 36 | Very low | 41 | Very low | 163 Ų | 163 | 133.7 Ų | 133.7 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | 34.9 | 108.6 | 141.2 | -56.1 | 172.5 | 0 | 0 | 0 | 120.4 | ||||
| 20 | A | 42.6 | Very low | 41.4 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -152.3 | 121.1 | 150.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 21 | G | 41 | Very low | 41.9 | Very low | 67 Ų | 67 | 135.7 Ų | 135.7 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | -65.7 | 176.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | A23 | G21-A23 PolarHBondContact O-N 3.15Š| ||
| 22 | P | 42.6 | Very low | 42.6 | Very low | 137 Ų | 137 | 134.4 Ų | 134.4 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | trans | -70.9 | 103.3 | -174.6 | 30.3 | -30.8 | 0 | 0 | 0 | 108.8 | A24 | P22-A24 PolarHBondContact O-N 2.95Š| ||
| 23 | A | 43.3 | Very low | 43.9 | Very low | 92 Ų | 92 | 142 Ų | 142 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | -58.5 | 113.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | G21 T25 | G21-A23 PolarHBondContact O-N 3.15Å; A23-T25 PolarHBondContact O-N 2.9Å; A23-T25 VanDerWaalsContact O-N 3.13Å | ||
| 24 | A | 44 | Very low | 45.5 | Very low | 97 Ų | 97 | 131.5 Ų | 131.5 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | trans | -45.1 | 122.3 | 170 | 0 | 0 | 0 | 0 | 0 | 108.8 | P22 G26 | P22-A24 PolarHBondContact O-N 2.95Å; A24-G26 PolarHBondContact O-N 3.07Å | ||
| 25 | T | 41.7 | Very low | 47.7 | Very low | 133 Ų | 133 | 129 Ų | 129 | 82% | 0.816 | 75% | 0.747 | S | S | * | * | trans | -70.7 | 61.7 | 174 | 26.6 | 0 | 0 | 0 | 0 | 109.8 | A23 W27 | A23-T25 PolarHBondContact O-N 2.9Å; A23-T25 VanDerWaalsContact O-N 3.13Å; T25-W27 PolarHBondContact O-N 2.89Å | ||
| 26 | G | 34.6 | Very low | 50.1 | Low | 60 Ų | 60 | 131.1 Ų | 131.1 | 62% | 0.619 | 75% | 0.745 | S | S | * | * | trans | -72.1 | 103.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | A24 L28 | A24-G26 PolarHBondContact O-N 3.07Å; G26-L28 VanDerWaalsContact C-N 3.3Å; G26-L28 PolarHBondContact O-N 2.85Å | ||
| 27 | W | 42.1 | Very low | 52.5 | Low | 210 Ų | 210 | 128.4 Ų | 128.4 | 80% | 0.795 | 73% | 0.733 | S | S | * | * | trans | -57.4 | 100.9 | 165.9 | -64.5 | 78 | 0 | 0 | 0 | 106.8 | T25 W29 | T25-W27 PolarHBondContact O-N 2.89Å; W27-W29 PolarHBondContact O-N 2.84Å | ||
| 28 | L | 35.2 | Very low | 55.2 | Low | 166 Ų | 166 | 129.6 Ų | 129.6 | 87% | 0.869 | 73% | 0.731 | S | S | * | * | trans | -49.9 | 111.4 | 171.4 | -82.7 | 158 | 0 | 0 | 0 | 107 | G26 L30 | G26-L28 VanDerWaalsContact C-N 3.3Å; G26-L28 PolarHBondContact O-N 2.85Å; L28-L30 PolarHBondContact O-N 3.34Å | ||
| 29 | W | 48 | Very low | 57.9 | Low | 199 Ų | 199 | 122.5 Ų | 122.5 | 75% | 0.754 | 70% | 0.703 | S | S | * | * | trans | -57.1 | 107.8 | 171.2 | -79.9 | 53.2 | 0 | 0 | 0 | 105.9 | W27 R74 | W27-W29 PolarHBondContact O-N 2.84Å; W29-R74 VanDerWaalsContact CZ2-NH1 3.26Å; W29-R74 VanDerWaalsContact CZ2-NH2 3.34Å | ||
| 30 | L | 51.2 | Low | 60.7 | Low | 130 Ų | 130 | 121 Ų | 121 | 68% | 0.681 | 69% | 0.69 | S | S | * | * | trans | -52 | 131.2 | 170.5 | -73.2 | 170.8 | 0 | 0 | 0 | 106.4 | L28 A32 | L28-L30 PolarHBondContact O-N 3.34Å; L30-A32 PolarHBondContact O-N 3.18Å; L30-A32 VanDerWaalsContact O-N 3.07Å | ||
| 31 | P | 54.6 | Low | 63.2 | Low | 101 Ų | 101 | 118.5 Ų | 118.5 | 66% | 0.656 | 66% | 0.661 | S | S | * | * | trans | -52.8 | 125.9 | -178.7 | 21.4 | -32.2 | 0 | 0 | 0 | 107.5 | R33 | P31-R33 VanDerWaalsContact C-N 3.29Å; P31-R33 PolarHBondContact O-N 3.37Å | ||
| 32 | A | 58.1 | Low | 65.7 | Low | 104 Ų | 104 | 121.6 Ų | 121.6 | 86% | 0.86 | 66% | 0.658 | S | S | * | * | trans | -58.2 | 97.4 | 179 | 0 | 0 | 0 | 0 | 0 | 107.4 | L30 G34 | L30-A32 PolarHBondContact O-N 3.18Å; L30-A32 VanDerWaalsContact O-N 3.07Å; A32-G34 PolarHBondContact O-N 2.81Å | ||
| 33 | R | 65.1 | Low | 68.1 | Low | 235 Ų | 235 | 121.3 Ų | 121.3 | 89% | 0.887 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 116.8 | 173.5 | -66.3 | -174 | -178.6 | -172.9 | -1.1 | 105.2 | P31 | P31-R33 VanDerWaalsContact C-N 3.29Å; P31-R33 PolarHBondContact O-N 3.37Å |
| 34 | G | 77.5 | Confident | 70.4 | Confident | 32 Ų | 32 | 120.9 Ų | 120.9 | 33% | 0.33 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -53.4 | 166.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A32 R36 | A32-G34 PolarHBondContact O-N 2.81Å; G34-R36 PolarHBondContact O-N 2.84Å |
| 35 | L | 85.9 | Confident | 72.7 | Confident | 110 Ų | 110 | 126.5 Ų | 126.5 | 58% | 0.576 | 66% | 0.655 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -61.7 | 130.4 | 173.4 | -68.8 | 172.5 | 0 | 0 | 0 | 108 | T54 T56 | L35-T54 PolarHBondContact O-N 3.47Å; L35-T56 HydrophobicContact CB-CG2 3.83Å; L35-T56 HydrophobicContact CD1-CG2 4.11Å; L35-T56 HydrophobicContact CG-CG2 3.63Å |
| 36 | R | 90.9 | Very high | 75.2 | Confident | 177 Ų | 177 | 124.4 Ų | 124.4 | 67% | 0.668 | 64% | 0.643 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -122 | 129.6 | 178.5 | 178.8 | 179.4 | 168.5 | 174.3 | -0.6 | 108.7 | G34 R52 | G34-R36 PolarHBondContact O-N 2.84Å; R36-R52 CarbonylContact C-O 3.6Å; R36-R52 WeakPolarHBondContact CA-O 3.45Å |
| 37 | E | 92.3 | Very high | 78 | Confident | 107 Ų | 107 | 124.8 Ų | 124.8 | 50% | 0.5 | 63% | 0.633 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102 | 143.9 | 174.1 | -70.2 | 172.3 | -151.9 | 0 | 0 | 109.7 | G51 R52 T54 | E37-G51 WeakPolarHBondContact O-CA 3.45Å; E37-R52 PolarHBondContact N-O 3.48Å; E37-R52 PolarHBondContact O-N 3.46Å; E37-T54 PolarHBondContact OE1-OG1 3.37Å |
| 38 | V | 94.4 | Very high | 80.6 | Confident | 109 Ų | 109 | 117.2 Ų | 117.2 | 66% | 0.661 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.5 | 118 | 175.1 | 179.2 | 0 | 0 | 0 | 0 | 107.1 | I49 E50 | V38-I49 HydrophobicContact CG1-CG2 3.55Å; V38-E50 WeakPolarHBondContact CA-O 3.4Å |
| 39 | V | 94.7 | Very high | 83.4 | Confident | 39 Ų | 39 | 115 Ų | 115 | 24% | 0.236 | 60% | 0.597 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.4 | 128 | 179.9 | -175.3 | 0 | 0 | 0 | 0 | 108.2 | I41 I49 E50 R52 | V39-I41 HydrophobicContact CG1-CG1 4.08Å; V39-I49 WeakPolarHBondContact O-CA 3.47Å; V39-E50 PolarHBondContact N-O 3.39Å; V39-E50 PolarHBondContact O-N 3.17Å; V39-R52 HydrophobicContact CG2-CG 4.22Å |
| 40 | K | 94.5 | Very high | 85.6 | Confident | 133 Ų | 133 | 109.2 Ų | 109.2 | 58% | 0.578 | 58% | 0.579 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.8 | 121.2 | 175 | -174.9 | -173.3 | 179.8 | -167.4 | 0 | 108.5 | T47 I49 | K40-T47 HydrophobicContact CD-CG2 4.16Å; K40-T47 HydrophobicContact CG-CG2 3.74Å; K40-I49 HydrophobicContact CG-CG1 4.5Å |
| 41 | I | 95.5 | Very high | 87.6 | Confident | 50 Ų | 50 | 104.8 Ų | 104.8 | 26% | 0.256 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.5 | 133.1 | 177.9 | -57.2 | 168.9 | 0 | 0 | 0 | 107.4 | V39 E43 T47 V48 | V39-I41 HydrophobicContact CG1-CG1 4.08Å; I41-E43 HydrophobicContact CG2-CG 4.21Å; I41-T47 CarbonylContact O-C 3.6Å; I41-T47 WeakPolarHBondContact O-CA 3.35Å; I41-V48 HydrophobicContact CB-CB 4.42Å; I41-V48 PolarHBondContact N-O 3.38Å; I41-V48 PolarHBondContact O-N 3.46Å |
| 42 | Q | 94.1 | Very high | 89.3 | Confident | 132 Ų | 132 | 106.2 Ų | 106.2 | 62% | 0.617 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.3 | 114.5 | 177.3 | -69.5 | -171.4 | -37.9 | 0 | 0 | 109.6 | T47 | Q42-T47 HydrophobicContact CG-CG2 4.35Å |
| 43 | E | 92.8 | Very high | 90.8 | Very high | 131 Ų | 131 | 108.1 Ų | 108.1 | 61% | 0.612 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113 | 95.4 | 177.6 | -69.1 | 178.4 | -175.4 | 0 | 0 | 108.5 | I41 K45 T46 | I41-E43 HydrophobicContact CG2-CG 4.21Å; E43-K45 PolarHBondContact O-N 2.84Å; E43-K45 VanDerWaalsContact O-N 3.07Å; E43-T46 PolarHBondContact N-O 2.93Å; E43-T46 PolarHBondContact O-N 2.92Å |
| 44 | G | 91.3 | Very high | 91.9 | Very high | 83 Ų | 83 | 99.2 Ų | 99.2 | 86% | 0.856 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | -110.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 45 | K | 93.1 | Very high | 92.2 | Very high | 216 Ų | 216 | 106.6 Ų | 106.6 | 94% | 0.939 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -8.9 | 177.1 | -64 | -179 | -177.8 | 177.2 | 0 | 113.4 | E43 | E43-K45 PolarHBondContact O-N 2.84Å; E43-K45 VanDerWaalsContact O-N 3.07Å |
| 46 | T | 93 | Very high | 91.9 | Very high | 89 Ų | 89 | 104.5 Ų | 104.5 | 55% | 0.546 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 134.3 | -178 | -55.9 | 0 | 0 | 0 | 0 | 109.8 | E43 V48 | E43-T46 PolarHBondContact N-O 2.93Å; E43-T46 PolarHBondContact O-N 2.92Å; T46-V48 HydrophobicContact CG2-CG2 4.4Å |
| 47 | T | 94.6 | Very high | 91.3 | Very high | 68 Ų | 68 | 101.8 Ų | 101.8 | 42% | 0.417 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 117.7 | 174.3 | -61.1 | 0 | 0 | 0 | 0 | 109.1 | K40 I41 Q42 I49 | K40-T47 HydrophobicContact CD-CG2 4.16Å; K40-T47 HydrophobicContact CG-CG2 3.74Å; I41-T47 CarbonylContact O-C 3.6Å; I41-T47 WeakPolarHBondContact O-CA 3.35Å; Q42-T47 HydrophobicContact CG-CG2 4.35Å; T47-I49 HydrophobicContact CG2-CG1 4.27Å |
| 48 | V | 95.1 | Very high | 90.4 | Very high | 51 Ų | 51 | 106.3 Ų | 106.3 | 31% | 0.309 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.8 | 132 | 175.5 | -175.5 | 0 | 0 | 0 | 0 | 108.6 | I41 T46 E50 | I41-V48 HydrophobicContact CB-CB 4.42Å; I41-V48 PolarHBondContact N-O 3.38Å; I41-V48 PolarHBondContact O-N 3.46Å; T46-V48 HydrophobicContact CG2-CG2 4.4Å; V48-E50 HydrophobicContact CG1-CG 4.04Å |
| 49 | I | 95.5 | Very high | 89 | Confident | 118 Ų | 118 | 106 Ų | 106 | 61% | 0.605 | 57% | 0.573 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -119.2 | 111.4 | 178 | -58.1 | 176.3 | 0 | 0 | 0 | 108.2 | V38 V39 K40 T47 | V38-I49 HydrophobicContact CG1-CG2 3.55Å; V39-I49 WeakPolarHBondContact O-CA 3.47Å; K40-I49 HydrophobicContact CG-CG1 4.5Å; T47-I49 HydrophobicContact CG2-CG1 4.27Å |
| 50 | E | 94 | Very high | 87.8 | Confident | 79 Ų | 79 | 109.2 Ų | 109.2 | 37% | 0.369 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.3 | 151.8 | -178.4 | -61.6 | -177.3 | 165.8 | 0 | 0 | 111.4 | V38 V39 V48 R52 | V38-E50 WeakPolarHBondContact CA-O 3.4Å; V39-E50 PolarHBondContact N-O 3.39Å; V39-E50 PolarHBondContact O-N 3.17Å; V48-E50 HydrophobicContact CG1-CG 4.04Å; E50-R52 IonicContact OE2-CZ 3.84Å; E50-R52 IonicContact OE2-NE 3.59Å; E50-R52 IonicContact OE2-NH2 3.15Å; E50-R52 PolarHBondContact OE2-NH2 3.19Å; E50-R52 VanDerWaalsContact OE2-NH2 3.15Å |
| 51 | G | 92.4 | Very high | 86.9 | Confident | 37 Ų | 37 | 107.9 Ų | 107.9 | 38% | 0.381 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.2 | 114.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111 | E37 | E37-G51 WeakPolarHBondContact O-CA 3.45Å |
| 52 | R | 90.9 | Very high | 86.3 | Confident | 131 Ų | 131 | 112.8 Ų | 112.8 | 49% | 0.494 | 62% | 0.624 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102 | 132.7 | 176.1 | -60.7 | -175.6 | -175.9 | 178.7 | -1.1 | 109.5 | R36 E37 V39 E50 | R36-R52 CarbonylContact C-O 3.6Å; R36-R52 WeakPolarHBondContact CA-O 3.45Å; E37-R52 PolarHBondContact N-O 3.48Å; E37-R52 PolarHBondContact O-N 3.46Å; V39-R52 HydrophobicContact CG2-CG 4.22Å; E50-R52 IonicContact OE2-CZ 3.84Å; E50-R52 IonicContact OE2-NE 3.59Å; E50-R52 IonicContact OE2-NH2 3.15Å; E50-R52 PolarHBondContact OE2-NH2 3.19Å; E50-R52 VanDerWaalsContact OE2-NH2 3.15Å |
| 53 | I | 89.5 | Confident | 86 | Confident | 143 Ų | 143 | 108.4 Ų | 108.4 | 73% | 0.733 | 61% | 0.607 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.5 | 119.6 | 174.8 | -61.6 | 170.3 | 0 | 0 | 0 | 107 | ||
| 54 | T | 87.9 | Confident | 86 | Confident | 49 Ų | 49 | 106 Ų | 106 | 30% | 0.301 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.9 | 143 | 176.8 | -48.7 | 0 | 0 | 0 | 0 | 108.8 | L35 E37 T56 | L35-T54 PolarHBondContact O-N 3.47Å; E37-T54 PolarHBondContact OE1-OG1 3.37Å; T54-T56 PolarHBondContact O-N 3.19Å |
| 55 | E | 83.7 | Confident | 86 | Confident | 187 Ų | 187 | 104.2 Ų | 104.2 | 87% | 0.874 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 131.8 | 175.7 | -63.1 | -171.5 | 172 | 0 | 0 | 110.6 | ||
| 56 | T | 80.9 | Confident | 85.9 | Confident | 65 Ų | 65 | 98.7 Ų | 98.7 | 40% | 0.399 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -102.1 | 141.9 | 176.5 | 55 | 0 | 0 | 0 | 0 | 110.5 | L35 T54 K58 | L35-T56 HydrophobicContact CB-CG2 3.83Å; L35-T56 HydrophobicContact CD1-CG2 4.11Å; L35-T56 HydrophobicContact CG-CG2 3.63Å; T54-T56 PolarHBondContact O-N 3.19Å; T56-K58 PolarHBondContact O-N 3.32Å |
| 57 | P | 77.6 | Confident | 85.8 | Confident | 120 Ų | 120 | 98.7 Ų | 98.7 | 78% | 0.779 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -57 | 126.5 | 173.3 | 25.1 | -33.1 | 0 | 0 | 0 | 109.4 | ||
| 58 | K | 72.2 | Confident | 85.5 | Confident | 203 Ų | 203 | 95.8 Ų | 95.8 | 88% | 0.883 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 142.7 | 172.1 | -74.4 | -179.6 | -179.3 | 173.9 | 0 | 108.9 | T56 | T56-K58 PolarHBondContact O-N 3.32Š|
| 59 | A | 65.1 | Low | 85.3 | Confident | 102 Ų | 102 | 100.4 Ų | 100.4 | 84% | 0.843 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 138.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 60 | T | 69.5 | Low | 85.1 | Confident | 106 Ų | 106 | 94.8 Ų | 94.8 | 65% | 0.65 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 164.9 | 173.3 | 22 | 0 | 0 | 0 | 0 | 112.3 | ||
| 61 | P | 76.9 | Confident | 85.1 | Confident | 105 Ų | 105 | 93 Ų | 93 | 68% | 0.682 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -59.1 | 177.3 | -168 | 24.1 | -36.8 | 0 | 0 | 0 | 115.3 | ||
| 62 | D | 82.5 | Confident | 85.3 | Confident | 153 Ų | 153 | 91.2 Ų | 91.2 | 82% | 0.818 | 51% | 0.514 | S | S | * | . | trans | -41.9 | 127.1 | -170.2 | -61.5 | -44.3 | 0 | 0 | 0 | 113.9 | ||||
| 63 | P | 87.6 | Confident | 85.4 | Confident | 41 Ų | 41 | 86.5 Ų | 86.5 | 27% | 0.266 | 50% | 0.5 | S | S | . | . | trans | -67.9 | 146 | -177.4 | 28.5 | -34.7 | 0 | 0 | 0 | 110.6 | N65 P66 R74 | P63-N65 PolarHBondContact O-N 3.19Å; P63-N65 VanDerWaalsContact O-N 3.12Å; P63-P66 HydrophobicContact CG-CB 4.35Å; P63-R74 HydrophobicContact CB-CB 4.16Å | ||
| 64 | P | 92.3 | Very high | 85.6 | Confident | 80 Ų | 80 | 82.7 Ų | 82.7 | 52% | 0.519 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -63.6 | -23.1 | 179.8 | 26.1 | -34.5 | 0 | 0 | 0 | 112.9 | R74 W75 | P64-R74 WeakPolarHBondContact CD-O 3.46Å; P64-R74 WeakPolarHBondContact CG-O 3.45Å; P64-W75 HydrophobicContact CG-CE3 4.24Å |
| 65 | N | 91.9 | Very high | 85.9 | Confident | 46 Ų | 46 | 85.7 Ų | 85.7 | 25% | 0.246 | 48% | 0.483 | C | S | . | . | trans | -131.8 | 93.4 | 172.3 | -177.3 | 3.8 | 0 | 0 | 0 | 110.8 | P63 S67 G68 R74 N76 | P63-N65 PolarHBondContact O-N 3.19Å; P63-N65 VanDerWaalsContact O-N 3.12Å; N65-S67 PolarHBondContact O-N 3.25Å; N65-S67 PolarHBondContact OD1-N 3.02Å; N65-S67 PolarHBondContact OD1-OG 3.49Å; N65-G68 PolarHBondContact O-N 3.09Å; N65-R74 WeakPolarHBondContact CB-O 3.21Å; N65-R74 PolarHBondContact N-O 3.21Å; N65-R74 VanDerWaalsContact O-CA 3.28Å; N65-R74 WeakPolarHBondContact O-CA 3.25Å; N65-N76 WeakPolarHBondContact CB-OD1 3.34Å | ||
| 66 | P | 89.8 | Confident | 86.5 | Confident | 100 Ų | 100 | 80.1 Ų | 80.1 | 65% | 0.649 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -21.5 | -179.5 | 26.1 | -33.9 | 0 | 0 | 0 | 113.4 | P63 G68 | P63-P66 HydrophobicContact CG-CB 4.35Å; P66-G68 PolarHBondContact O-N 3.41Å |
| 67 | S | 91.2 | Very high | 87.2 | Confident | 88 Ų | 88 | 79.9 Ų | 79.9 | 62% | 0.615 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -12.9 | 179.7 | 75 | 0 | 0 | 0 | 0 | 114.1 | N65 | N65-S67 PolarHBondContact O-N 3.25Å; N65-S67 PolarHBondContact OD1-N 3.02Å; N65-S67 PolarHBondContact OD1-OG 3.49Å |
| 68 | G | 89.2 | Confident | 88 | Confident | 7 Ų | 7 | 78.3 Ų | 78.3 | 7% | 0.072 | 44% | 0.436 | C | S | . | . | trans | -62.6 | 137.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N65 P66 R74 | N65-G68 PolarHBondContact O-N 3.09Å; P66-G68 PolarHBondContact O-N 3.41Å; G68-R74 WeakPolarHBondContact O-CG 3.39Å; G68-R74 PolarHBondContact O-NE 3.12Å; G68-R74 PolarHBondContact O-NH2 3.06Å | ||
| 69 | Q | 90.6 | Very high | 89.2 | Confident | 148 Ų | 148 | 71 Ų | 71 | 69% | 0.692 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -79.8 | -33.5 | 178.5 | -62.7 | -59.8 | -31.5 | 0 | 0 | 112.7 | ||
| 70 | C | 92.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -111.2 | 153 | -177.9 | 84.7 | 0 | 0 | 0 | 0 | 111.8 | I72 C73 R74 C108 | C70-I72 VanDerWaalsContact C-N 3.33Å; C70-I72 PolarHBondContact O-N 3.49Å; C70-C73 HydrophobicContact CB-CB 4.16Å; C70-C73 WeakPolarHBondContact CB-SG 3.42Å; C70-C73 CarbonylContact O-C 3.57Å; C70-C73 WeakPolarHBondContact O-CA 3.25Å; C70-C73 VanDerWaalsContact O-CB 3.28Å; C70-C73 WeakPolarHBondContact O-CB 3.31Å; C70-C73 PolarHBondContact O-N 3.32Å; C70-C73 WeakPolarHBondContact SG-CB 3.37Å; C70-C73 PolarHBondContact SG-N 3.35Å; C70-C73 CovalentContact SG-SG 2.07Å; C70-C73 PolarHBondContact SG-SG 2.98Å; C70-R74 WeakPolarHBondContact O-CG 3.43Å; C70-R74 PolarHBondContact O-N 2.75Å; C70-C108 HydrophobicContact CB-CB 4.3Å; C70-C108 VanDerWaalsContact CB-SG 3.55Å |
| 71 | P | 93.7 | Very high | 92 | Very high | 41 Ų | 41 | 67.1 Ų | 67.1 | 27% | 0.266 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -51.4 | -48.1 | 175.9 | -29.4 | 34.4 | 0 | 0 | 0 | 113.3 | C73 R74 W75 G106 L107 | P71-C73 PolarHBondContact O-N 3.07Å; P71-R74 PolarHBondContact O-N 3.07Å; P71-R74 VanDerWaalsContact O-N 3.16Å; P71-W75 PolarHBondContact O-N 3.41Å; P71-G106 VanDerWaalsContact CD-O 3.23Å; P71-G106 WeakPolarHBondContact CD-O 3.34Å; P71-L107 HydrophobicContact CB-CD2 4.49Å; P71-L107 HydrophobicContact CG-CD2 4.44Å |
| 72 | I | 95.4 | Very high | 93 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.2 | -37 | 177.6 | -61.6 | -60.7 | 0 | 0 | 0 | 112.4 | C70 N76 L77 K78 Y81 L88 F92 L107 E111 I115 | C70-I72 VanDerWaalsContact C-N 3.33Å; C70-I72 PolarHBondContact O-N 3.49Å; I72-N76 PolarHBondContact O-N 3.09Å; I72-L77 HydrophobicContact CD1-CD1 4.47Å; I72-L77 HydrophobicContact CG2-CB 4.05Å; I72-L77 PolarHBondContact O-N 2.87Å; I72-K78 HydrophobicContact CG2-CB 4.42Å; I72-Y81 HydrophobicContact CG2-CD1 4.48Å; I72-Y81 HydrophobicContact CG2-CE1 3.97Å; I72-L88 HydrophobicContact CD1-CD1 4.04Å; I72-L88 HydrophobicContact CD1-CD2 4.15Å; I72-L88 HydrophobicContact CD1-CG 4.49Å; I72-F92 HydrophobicContact CD1-CE2 4.29Å; I72-F92 HydrophobicContact CD1-CZ 4.37Å; I72-L107 HydrophobicContact CB-CD2 4.45Å; I72-L107 HydrophobicContact CG1-CD2 3.57Å; I72-E111 HydrophobicContact CB-CG 4.44Å; I72-E111 HydrophobicContact CG2-CG 4.26Å; I72-I115 HydrophobicContact CD1-CD1 4.07Å; I72-I115 HydrophobicContact CG1-CD1 3.98Å |
| 73 | C | 93.8 | Very high | 93.7 | Very high | 32 Ų | 32 | 58.2 Ų | 58.2 | 22% | 0.216 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.1 | -43.6 | 179 | -48.8 | 0 | 0 | 0 | 0 | 110.6 | C70 P71 W75 N76 | C70-C73 HydrophobicContact CB-CB 4.16Å; C70-C73 WeakPolarHBondContact CB-SG 3.42Å; C70-C73 CarbonylContact O-C 3.57Å; C70-C73 WeakPolarHBondContact O-CA 3.25Å; C70-C73 VanDerWaalsContact O-CB 3.28Å; C70-C73 WeakPolarHBondContact O-CB 3.31Å; C70-C73 PolarHBondContact O-N 3.32Å; C70-C73 WeakPolarHBondContact SG-CB 3.37Å; C70-C73 PolarHBondContact SG-N 3.35Å; C70-C73 CovalentContact SG-SG 2.07Å; C70-C73 PolarHBondContact SG-SG 2.98Å; P71-C73 PolarHBondContact O-N 3.07Å; C73-W75 VanDerWaalsContact C-N 3.3Å; C73-W75 PolarHBondContact O-N 3.17Å; C73-N76 PolarHBondContact O-N 3.42Å; C73-N76 PolarHBondContact O-OD1 3.46Å |
| 74 | R | 93.9 | Very high | 94.2 | Very high | 63 Ų | 63 | 61.9 Ų | 61.9 | 24% | 0.238 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.5 | -35.6 | 179.2 | -72.1 | 175.7 | -179.6 | -156.1 | -11 | 112.9 | W29 P63 P64 N65 G68 C70 P71 N76 | W29-R74 VanDerWaalsContact CZ2-NH1 3.26Å; W29-R74 VanDerWaalsContact CZ2-NH2 3.34Å; P63-R74 HydrophobicContact CB-CB 4.16Å; P64-R74 WeakPolarHBondContact CD-O 3.46Å; P64-R74 WeakPolarHBondContact CG-O 3.45Å; N65-R74 WeakPolarHBondContact CB-O 3.21Å; N65-R74 PolarHBondContact N-O 3.21Å; N65-R74 VanDerWaalsContact O-CA 3.28Å; N65-R74 WeakPolarHBondContact O-CA 3.25Å; G68-R74 WeakPolarHBondContact O-CG 3.39Å; G68-R74 PolarHBondContact O-NE 3.12Å; G68-R74 PolarHBondContact O-NH2 3.06Å; C70-R74 WeakPolarHBondContact O-CG 3.43Å; C70-R74 PolarHBondContact O-N 2.75Å; P71-R74 PolarHBondContact O-N 3.07Å; P71-R74 VanDerWaalsContact O-N 3.16Å; R74-N76 VanDerWaalsContact C-N 3.33Å |
| 75 | W | 94.3 | Very high | 94.4 | Very high | 112 Ų | 112 | 61.1 Ų | 61.1 | 42% | 0.424 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 6.6 | 178.6 | -71.6 | 96 | 0 | 0 | 0 | 113.4 | P64 P71 C73 L77 | P64-W75 HydrophobicContact CG-CE3 4.24Å; P71-W75 PolarHBondContact O-N 3.41Å; C73-W75 VanDerWaalsContact C-N 3.3Å; C73-W75 PolarHBondContact O-N 3.17Å; W75-L77 HydrophobicContact CB-CD1 3.96Å; W75-L77 HydrophobicContact CB-CG 3.91Å; W75-L77 PolarHBondContact O-N 3.08Å; W75-L77 VanDerWaalsContact O-N 3.16Å |
| 76 | N | 94.8 | Very high | 94.7 | Very high | 70 Ų | 70 | 60.9 Ų | 60.9 | 37% | 0.374 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 32.3 | -179.1 | -60.5 | -39.5 | 0 | 0 | 0 | 113.9 | N65 I72 C73 R74 K80 | N65-N76 WeakPolarHBondContact CB-OD1 3.34Å; I72-N76 PolarHBondContact O-N 3.09Å; C73-N76 PolarHBondContact O-N 3.42Å; C73-N76 PolarHBondContact O-OD1 3.46Å; R74-N76 VanDerWaalsContact C-N 3.33Å; N76-K80 WeakPolarHBondContact O-CD 3.39Å; N76-K80 WeakPolarHBondContact O-CE 3.49Å; N76-K80 PolarHBondContact O-NZ 2.76Å |
| 77 | L | 96 | Very high | 95 | Very high | 59 Ų | 59 | 63.2 Ų | 63.2 | 31% | 0.309 | 32% | 0.318 | S | S | . | . | trans | -92.5 | -3.8 | -178.5 | -65.9 | 178.3 | 0 | 0 | 0 | 113.3 | I72 W75 H79 K80 Y81 L88 | I72-L77 HydrophobicContact CD1-CD1 4.47Å; I72-L77 HydrophobicContact CG2-CB 4.05Å; I72-L77 PolarHBondContact O-N 2.87Å; W75-L77 HydrophobicContact CB-CD1 3.96Å; W75-L77 HydrophobicContact CB-CG 3.91Å; W75-L77 PolarHBondContact O-N 3.08Å; W75-L77 VanDerWaalsContact O-N 3.16Å; L77-H79 PolarHBondContact O-N 3.03Å; L77-K80 PolarHBondContact O-N 3.33Å; L77-K80 VanDerWaalsContact O-N 3.07Å; L77-Y81 WeakPolarHBondContact O-CD1 3.34Å; L77-L88 HydrophobicContact CD1-CD1 3.88Å; L77-L88 HydrophobicContact CD1-CD2 4.24Å | ||
| 78 | K | 95.6 | Very high | 95.2 | Very high | 87 Ų | 87 | 60.2 Ų | 60.2 | 38% | 0.378 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 130.5 | 178.6 | -157.9 | -171.6 | 179.5 | -179.2 | 0 | 110 | I72 K80 | I72-K78 HydrophobicContact CG2-CB 4.42Å; K78-K80 PolarHBondContact O-N 2.82Å |
| 79 | H | 96.1 | Very high | 95.6 | Very high | 49 Ų | 49 | 59.9 Ų | 59.9 | 23% | 0.227 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 6.2 | -178.7 | -51.8 | -77.9 | 0 | 0 | 0 | 116.4 | L77 D183 N184 V185 | L77-H79 PolarHBondContact O-N 3.03Å; H79-D183 PolarHBondContact ND1-O 3.32Å; H79-N184 WeakPolarHBondContact O-CA 3.34Å; H79-V185 HydrophobicContact CB-CG2 4.12Å; H79-V185 PolarHBondContact O-N 3.31Å |
| 80 | K | 97 | Very high | 95.8 | Very high | 124 Ų | 124 | 54.8 Ų | 54.8 | 54% | 0.539 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -6.2 | -174 | -62.6 | 179.1 | -171.7 | 167.4 | 0 | 114.9 | N76 L77 K78 V185 | N76-K80 WeakPolarHBondContact O-CD 3.39Å; N76-K80 WeakPolarHBondContact O-CE 3.49Å; N76-K80 PolarHBondContact O-NZ 2.76Å; L77-K80 PolarHBondContact O-N 3.33Å; L77-K80 VanDerWaalsContact O-N 3.07Å; K78-K80 PolarHBondContact O-N 2.82Å; K80-V185 HydrophobicContact CG-CG2 4.42Å |
| 81 | Y | 97.4 | Very high | 95.9 | Very high | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | trans | -107.2 | 156.3 | 179.7 | 67.5 | -90.9 | 0 | 0 | 0 | 112.4 | I72 L77 D85 L88 E111 K114 I115 N184 | I72-Y81 HydrophobicContact CG2-CD1 4.48Å; I72-Y81 HydrophobicContact CG2-CE1 3.97Å; L77-Y81 WeakPolarHBondContact O-CD1 3.34Å; Y81-D85 VanDerWaalsContact CA-OD2 3.28Å; Y81-D85 WeakPolarHBondContact CA-OD2 3.28Å; Y81-L88 HydrophobicContact CD1-CD2 4.21Å; Y81-L88 HydrophobicContact CD2-CD2 4.46Å; Y81-L88 HydrophobicContact CG-CD2 3.85Å; Y81-E111 VanDerWaalsContact CE1-OE2 3.24Å; Y81-E111 WeakPolarHBondContact CE1-OE2 3.27Å; Y81-E111 VanDerWaalsContact CZ-OE2 3.32Å; Y81-E111 PolarHBondContact OH-OE2 3.29Å; Y81-K114 HydrophobicContact CE2-CB 4.31Å; Y81-K114 WeakPolarHBondContact OH-CB 3.25Å; Y81-K114 WeakPolarHBondContact OH-CD 3.09Å; Y81-I115 HydrophobicContact CE2-CG1 3.94Å; Y81-N184 PolarHBondContact O-ND2 3.07Å | ||
| 82 | T | 97.2 | Very high | 96 | Very high | 49 Ų | 49 | 59.7 Ų | 59.7 | 30% | 0.301 | 29% | 0.292 | S | S | . | . | trans | -133.3 | -176.3 | -176.9 | 67.8 | 0 | 0 | 0 | 0 | 110.4 | E84 D85 | T82-E84 PolarHBondContact O-N 3.47Å; T82-E84 PolarHBondContact OG1-N 3.01Å; T82-D85 PolarHBondContact N-OD2 3.25Å; T82-D85 PolarHBondContact OG1-OD2 3.3Å | ||
| 83 | Y | 97.5 | Very high | 96 | Very high | 21 Ų | 21 | 60.3 Ų | 60.3 | 8% | 0.082 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -12.4 | 174.7 | 75.9 | -73.4 | 0 | 0 | 0 | 112.9 | M121 A125 L127 L151 | Y83-M121 HydrophobicContact CD1-CE 3.98Å; Y83-M121 HydrophobicContact CD2-CB 4.43Å; Y83-M121 HydrophobicContact CG-CB 4.27Å; Y83-M121 HydrophobicContact CG-CE 4.04Å; Y83-A125 HydrophobicContact CE2-CB 4.3Å; Y83-L127 HydrophobicContact CD2-CD1 4.05Å; Y83-L127 HydrophobicContact CE2-CD1 4.26Å; Y83-L127 WeakPolarHBondContact O-CD1 3.45Å; Y83-L151 HydrophobicContact CD1-CD2 3.6Å; Y83-L151 HydrophobicContact CD1-CG 4.46Å; Y83-L151 HydrophobicContact CE1-CD2 3.26Å; Y83-L151 HydrophobicContact CE1-CG 3.75Å |
| 84 | E | 97.4 | Very high | 96.1 | Very high | 119 Ų | 119 | 64.7 Ų | 64.7 | 56% | 0.556 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -19.7 | -178.2 | -60.8 | 175.7 | -177.3 | 0 | 0 | 111.9 | T82 V86 | T82-E84 PolarHBondContact O-N 3.47Å; T82-E84 PolarHBondContact OG1-N 3.01Å; E84-V86 WeakPolarHBondContact O-CG2 3.42Å; E84-V86 PolarHBondContact O-N 3.21Å |
| 85 | D | 97.5 | Very high | 96.1 | Very high | 64 Ų | 64 | 66.1 Ų | 66.1 | 34% | 0.342 | 32% | 0.324 | S | S | . | . | trans | -78.6 | 63.9 | -176.6 | -59.8 | -58 | 0 | 0 | 0 | 112.1 | Y81 T82 L87 L88 L89 | Y81-D85 VanDerWaalsContact CA-OD2 3.28Å; Y81-D85 WeakPolarHBondContact CA-OD2 3.28Å; T82-D85 PolarHBondContact N-OD2 3.25Å; T82-D85 PolarHBondContact OG1-OD2 3.3Å; D85-L87 PolarHBondContact O-N 3.49Å; D85-L88 HydrophobicContact CB-CB 4.37Å; D85-L88 PolarHBondContact O-N 3.41Å; D85-L89 WeakPolarHBondContact O-CG 3.5Å; D85-L89 PolarHBondContact O-N 2.96Å; D85-L89 VanDerWaalsContact O-N 3.08Å | ||
| 86 | V | 96.8 | Very high | 96.1 | Very high | 41 Ų | 41 | 66.7 Ų | 66.7 | 25% | 0.248 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.8 | -35.4 | -173.7 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | E84 L88 L89 S90 L127 L128 | E84-V86 WeakPolarHBondContact O-CG2 3.42Å; E84-V86 PolarHBondContact O-N 3.21Å; V86-L88 VanDerWaalsContact C-N 3.3Å; V86-L88 PolarHBondContact O-N 3.27Å; V86-L89 PolarHBondContact O-N 3.16Å; V86-S90 VanDerWaalsContact O-CB 3.31Å; V86-S90 WeakPolarHBondContact O-CB 3.25Å; V86-S90 PolarHBondContact O-N 3.16Å; V86-S90 PolarHBondContact O-OG 3.36Å; V86-L127 HydrophobicContact CG2-CB 3.83Å; V86-L127 HydrophobicContact CG2-CD1 4.15Å; V86-L128 HydrophobicContact CG1-CD2 3.51Å; V86-L128 HydrophobicContact CG1-CG 4.43Å |
| 87 | L | 96.3 | Very high | 96.1 | Very high | 148 Ų | 148 | 64.1 Ų | 64.1 | 78% | 0.775 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65.5 | -31.8 | 179.9 | -61 | -179.3 | 0 | 0 | 0 | 113.2 | D85 S90 Q91 | D85-L87 PolarHBondContact O-N 3.49Å; L87-S90 PolarHBondContact O-OG 3.39Å; L87-Q91 PolarHBondContact O-NE2 3.25Å; L87-Q91 VanDerWaalsContact O-NE2 3.12Å |
| 88 | L | 96.2 | Very high | 96 | Very high | 25 Ų | 25 | 62.8 Ų | 62.8 | 13% | 0.131 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -79.4 | -45 | 174.4 | 178.4 | 65.5 | 0 | 0 | 0 | 110.2 | I72 L77 Y81 D85 V86 S90 Q91 F92 | I72-L88 HydrophobicContact CD1-CD1 4.04Å; I72-L88 HydrophobicContact CD1-CD2 4.15Å; I72-L88 HydrophobicContact CD1-CG 4.49Å; L77-L88 HydrophobicContact CD1-CD1 3.88Å; L77-L88 HydrophobicContact CD1-CD2 4.24Å; Y81-L88 HydrophobicContact CD1-CD2 4.21Å; Y81-L88 HydrophobicContact CD2-CD2 4.46Å; Y81-L88 HydrophobicContact CG-CD2 3.85Å; D85-L88 HydrophobicContact CB-CB 4.37Å; D85-L88 PolarHBondContact O-N 3.41Å; V86-L88 VanDerWaalsContact C-N 3.3Å; V86-L88 PolarHBondContact O-N 3.27Å; L88-S90 PolarHBondContact O-N 2.93Å; L88-Q91 PolarHBondContact O-N 3.14Å; L88-F92 HydrophobicContact CD1-CE2 4.03Å; L88-F92 HydrophobicContact CG-CE2 4.38Å; L88-F92 WeakPolarHBondContact O-CD2 3.31Å |
| 89 | L | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.5 | -41.6 | -176.9 | -63.6 | 178.4 | 0 | 0 | 0 | 111.6 | D85 V86 Q91 F92 I93 I115 C118 V119 A122 | D85-L89 WeakPolarHBondContact O-CG 3.5Å; D85-L89 PolarHBondContact O-N 2.96Å; D85-L89 VanDerWaalsContact O-N 3.08Å; V86-L89 PolarHBondContact O-N 3.16Å; L89-Q91 PolarHBondContact O-N 3.48Å; L89-Q91 VanDerWaalsContact O-N 3.09Å; L89-F92 PolarHBondContact O-N 3.12Å; L89-I93 HydrophobicContact CB-CD1 4.32Å; L89-I93 WeakPolarHBondContact O-CD1 3.36Å; L89-I93 VanDerWaalsContact O-CG1 3.25Å; L89-I93 WeakPolarHBondContact O-CG1 3.46Å; L89-I115 HydrophobicContact CD2-CG2 4.06Å; L89-C118 HydrophobicContact CD1-CB 4.09Å; L89-C118 HydrophobicContact CD2-CB 3.7Å; L89-V119 HydrophobicContact CB-CG2 4.31Å; L89-V119 HydrophobicContact CD2-CG2 4.16Å; L89-A122 HydrophobicContact CD1-CB 4.12Å |
| 90 | S | 95.8 | Very high | 96.1 | Very high | 42 Ų | 42 | 60.5 Ų | 60.5 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -57.1 | -27.4 | -177.5 | 62.5 | 0 | 0 | 0 | 0 | 113.7 | V86 L87 L88 F92 | V86-S90 VanDerWaalsContact O-CB 3.31Å; V86-S90 WeakPolarHBondContact O-CB 3.25Å; V86-S90 PolarHBondContact O-N 3.16Å; V86-S90 PolarHBondContact O-OG 3.36Å; L87-S90 PolarHBondContact O-OG 3.39Å; L88-S90 PolarHBondContact O-N 2.93Å; S90-F92 VanDerWaalsContact C-N 3.26Å; S90-F92 PolarHBondContact O-N 2.94Å |
| 91 | Q | 94.1 | Very high | 96 | Very high | 129 Ų | 129 | 56.6 Ų | 56.6 | 60% | 0.603 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -66.6 | -25.9 | 178.6 | -59 | 174.1 | 24.2 | 0 | 0 | 113.2 | L87 L88 L89 | L87-Q91 PolarHBondContact O-NE2 3.25Å; L87-Q91 VanDerWaalsContact O-NE2 3.12Å; L88-Q91 PolarHBondContact O-N 3.14Å; L89-Q91 PolarHBondContact O-N 3.48Å; L89-Q91 VanDerWaalsContact O-N 3.09Å |
| 92 | F | 95.7 | Very high | 95.9 | Very high | 15 Ų | 15 | 62.4 Ų | 62.4 | 7% | 0.066 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -104.5 | 6.7 | -174.3 | -56.9 | -70.1 | 0 | 0 | 0 | 113.7 | I72 L88 L89 S90 M99 L100 T105 L107 I115 | I72-F92 HydrophobicContact CD1-CE2 4.29Å; I72-F92 HydrophobicContact CD1-CZ 4.37Å; L88-F92 HydrophobicContact CD1-CE2 4.03Å; L88-F92 HydrophobicContact CG-CE2 4.38Å; L88-F92 WeakPolarHBondContact O-CD2 3.31Å; L89-F92 PolarHBondContact O-N 3.12Å; S90-F92 VanDerWaalsContact C-N 3.26Å; S90-F92 PolarHBondContact O-N 2.94Å; F92-M99 HydrophobicContact CB-CE 3.93Å; F92-M99 HydrophobicContact CB-SD 4.42Å; F92-L100 VanDerWaalsContact O-CB 3.31Å; F92-L100 WeakPolarHBondContact O-CB 3.47Å; F92-L100 WeakPolarHBondContact O-CG 3.16Å; F92-L100 PolarHBondContact O-N 3.03Å; F92-T105 HydrophobicContact CD1-CG2 3.85Å; F92-L107 HydrophobicContact CD1-CD1 3.84Å; F92-L107 HydrophobicContact CD1-CG 4.48Å; F92-L107 HydrophobicContact CE1-CD1 3.92Å; F92-L107 HydrophobicContact CE1-CD2 4.1Å; F92-L107 HydrophobicContact CE1-CG 4.13Å; F92-L107 HydrophobicContact CG-CD1 4.27Å; F92-L107 HydrophobicContact CZ-CD1 4.42Å; F92-L107 HydrophobicContact CZ-CD2 4.16Å; F92-I115 HydrophobicContact CB-CG2 4.23Å; F92-I115 HydrophobicContact CD2-CD1 4.04Å; F92-I115 HydrophobicContact CD2-CG2 4.21Å; F92-I115 HydrophobicContact CE2-CD1 4Å; F92-I115 HydrophobicContact CG-CG2 4.47Å |
| 93 | I | 96.1 | Very high | 95.7 | Very high | 14 Ų | 14 | 69.8 Ų | 69.8 | 7% | 0.072 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -115.7 | 148.8 | -173.7 | -49.8 | 163.4 | 0 | 0 | 0 | 109.6 | L89 G97 G98 V119 L128 | L89-I93 HydrophobicContact CB-CD1 4.32Å; L89-I93 WeakPolarHBondContact O-CD1 3.36Å; L89-I93 VanDerWaalsContact O-CG1 3.25Å; L89-I93 WeakPolarHBondContact O-CG1 3.46Å; I93-G97 VanDerWaalsContact CG2-C 3.41Å; I93-G98 WeakPolarHBondContact CG2-O 3.36Å; I93-V119 HydrophobicContact CD1-CB 4.33Å; I93-V119 HydrophobicContact CD1-CG1 3.77Å; I93-V119 HydrophobicContact CD1-CG2 3.63Å; I93-V119 HydrophobicContact CG1-CG1 3.97Å; I93-V119 HydrophobicContact CG1-CG2 3.74Å; I93-L128 HydrophobicContact CD1-CD1 3.71Å |
| 94 | R | 95 | Very high | 95.4 | Very high | 123 Ų | 123 | 73.7 Ų | 73.7 | 46% | 0.464 | 37% | 0.367 | S | S | . | . | trans | -73.9 | 162.4 | 170.4 | -64.5 | 173.9 | -178.4 | -116.8 | 3.6 | 110.9 | Y96 G97 G98 L100 H131 | R94-Y96 PolarHBondContact O-N 2.7Å; R94-Y96 VanDerWaalsContact O-N 3.09Å; R94-G97 PolarHBondContact O-N 2.96Å; R94-G98 WeakPolarHBondContact CB-O 3.39Å; R94-G98 WeakPolarHBondContact CG-O 3.18Å; R94-G98 PolarHBondContact N-O 3.27Å; R94-L100 HydrophobicContact CG-CD2 3.77Å; R94-L100 HydrophobicContact CG-CG 4.45Å; R94-H131 PolarHBondContact O-ND1 3.49Å | ||
| 95 | P | 93.7 | Very high | 95.2 | Very high | 94 Ų | 94 | 68.9 Ų | 68.9 | 61% | 0.61 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -37.4 | 173.4 | -28.8 | 36.2 | 0 | 0 | 0 | 113.6 | G97 H131 | P95-G97 VanDerWaalsContact C-N 3.33Å; P95-G97 PolarHBondContact O-N 3.15Å; P95-H131 VanDerWaalsContact O-CA 3.25Å; P95-H131 WeakPolarHBondContact O-CA 3.34Å; P95-H131 PolarHBondContact O-ND1 2.96Å |
| 96 | Y | 94.1 | Very high | 95 | Very high | 124 Ų | 124 | 67.9 Ų | 67.9 | 49% | 0.486 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 10.8 | -179.2 | -51.7 | -56.7 | 0 | 0 | 0 | 115.9 | R94 Q134 | R94-Y96 PolarHBondContact O-N 2.7Å; R94-Y96 VanDerWaalsContact O-N 3.09Å; Y96-Q134 HydrophobicContact CD1-CG 4.09Å; Y96-Q134 HydrophobicContact CE1-CB 4.4Å; Y96-Q134 HydrophobicContact CE1-CG 3.53Å; Y96-Q134 PolarHBondContact OH-NE2 2.7Å; Y96-Q134 PolarHBondContact OH-OE1 3.03Å |
| 97 | G | 94.9 | Very high | 95 | Very high | 16 Ų | 16 | 66.1 Ų | 66.1 | 17% | 0.165 | 34% | 0.34 | C | S | . | . | S | Bend | trans | 84.8 | 3.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | I93 R94 P95 H123 | I93-G97 VanDerWaalsContact CG2-C 3.41Å; R94-G97 PolarHBondContact O-N 2.96Å; P95-G97 VanDerWaalsContact C-N 3.33Å; P95-G97 PolarHBondContact O-N 3.15Å; G97-H123 WeakPolarHBondContact CA-NE2 3.44Å; G97-H123 PolarHBondContact O-NE2 3.37Å |
| 98 | G | 95.5 | Very high | 94.9 | Very high | 30 Ų | 30 | 61.4 Ų | 61.4 | 31% | 0.309 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 143 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I93 R94 | I93-G98 WeakPolarHBondContact CG2-O 3.36Å; R94-G98 WeakPolarHBondContact CB-O 3.39Å; R94-G98 WeakPolarHBondContact CG-O 3.18Å; R94-G98 PolarHBondContact N-O 3.27Å |
| 99 | M | 96.2 | Very high | 94.9 | Very high | 42 Ų | 42 | 68 Ų | 68 | 21% | 0.207 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -68.4 | 141.4 | 176.9 | -170.2 | 62.9 | -172.6 | 0 | 0 | 112.1 | F92 I115 E116 V119 | F92-M99 HydrophobicContact CB-CE 3.93Å; F92-M99 HydrophobicContact CB-SD 4.42Å; M99-I115 HydrophobicContact CE-CB 4.24Å; M99-I115 HydrophobicContact CE-CG2 3.61Å; M99-I115 HydrophobicContact SD-CG2 4.25Å; M99-E116 HydrophobicContact CG-CG 4.49Å; M99-V119 HydrophobicContact SD-CG2 4.39Å |
| 100 | L | 95.8 | Very high | 94.9 | Very high | 47 Ų | 47 | 73.9 Ų | 73.9 | 25% | 0.246 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 145.7 | 171.8 | -72.4 | 176.1 | 0 | 0 | 0 | 111.7 | F92 R94 T105 H112 | F92-L100 VanDerWaalsContact O-CB 3.31Å; F92-L100 WeakPolarHBondContact O-CB 3.47Å; F92-L100 WeakPolarHBondContact O-CG 3.16Å; F92-L100 PolarHBondContact O-N 3.03Å; R94-L100 HydrophobicContact CG-CD2 3.77Å; R94-L100 HydrophobicContact CG-CG 4.45Å; L100-T105 HydrophobicContact CB-CG2 3.53Å; L100-T105 HydrophobicContact CD1-CG2 4.28Å; L100-H112 PolarHBondContact O-CE1 3.28Å; L100-H112 VanDerWaalsContact O-CE1 3.27Å |
| 101 | P | 96.3 | Very high | 95 | Very high | 42 Ų | 42 | 71.9 Ų | 71.9 | 27% | 0.273 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 140.7 | 179 | -20.3 | 32.3 | 0 | 0 | 0 | 112.8 | R103 V104 T105 | P101-R103 HydrophobicContact CB-CG 4.12Å; P101-R103 PolarHBondContact O-N 3.41Å; P101-R103 VanDerWaalsContact O-N 3.15Å; P101-V104 HydrophobicContact CB-CG2 4.27Å; P101-V104 HydrophobicContact CG-CG2 4.38Å; P101-V104 WeakPolarHBondContact O-CB 3.43Å; P101-V104 PolarHBondContact O-N 3.45Å; P101-T105 PolarHBondContact O-N 2.81Å; P101-T105 VanDerWaalsContact O-N 3.14Å |
| 102 | R | 95 | Very high | 95.1 | Very high | 126 Ų | 126 | 67.1 Ų | 67.1 | 48% | 0.475 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -52.1 | -38.6 | 178 | -169.3 | 178.2 | 67.5 | 86.8 | -1.3 | 114.3 | V104 T105 G106 L107 H112 | R102-V104 PolarHBondContact O-N 3.49Å; R102-T105 WeakPolarHBondContact CA-OG1 3.23Å; R102-T105 PolarHBondContact O-N 2.89Å; R102-T105 PolarHBondContact O-OG1 2.82Å; R102-G106 PolarHBondContact O-N 3.43Å; R102-L107 WeakPolarHBondContact CD-O 3.42Å; R102-L107 VanDerWaalsContact CG-O 3.24Å; R102-L107 WeakPolarHBondContact CG-O 3.47Å; R102-H112 HydrophobicContact CG-CB 4.21Å |
| 103 | R | 93.1 | Very high | 95.2 | Very high | 204 Ų | 204 | 72.2 Ų | 72.2 | 77% | 0.77 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.1 | -23.2 | 179 | 67.2 | -178.3 | 178.8 | -173.1 | -0.9 | 113.7 | P101 | P101-R103 HydrophobicContact CB-CG 4.12Å; P101-R103 PolarHBondContact O-N 3.41Å; P101-R103 VanDerWaalsContact O-N 3.15Å |
| 104 | V | 91.7 | Very high | 95.3 | Very high | 103 Ų | 103 | 72 Ų | 72 | 62% | 0.624 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -92.7 | -42.6 | 178.4 | -177.9 | 0 | 0 | 0 | 0 | 110 | P101 R102 G106 | P101-V104 HydrophobicContact CB-CG2 4.27Å; P101-V104 HydrophobicContact CG-CG2 4.38Å; P101-V104 WeakPolarHBondContact O-CB 3.43Å; P101-V104 PolarHBondContact O-N 3.45Å; R102-V104 PolarHBondContact O-N 3.49Å; V104-G106 PolarHBondContact O-N 3.29Å |
| 105 | T | 92.8 | Very high | 95.5 | Very high | 18 Ų | 18 | 66.2 Ų | 66.2 | 11% | 0.11 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -74.8 | -22.3 | -176.7 | 57.4 | 0 | 0 | 0 | 0 | 114.1 | F92 L100 P101 R102 L107 | F92-T105 HydrophobicContact CD1-CG2 3.85Å; L100-T105 HydrophobicContact CB-CG2 3.53Å; L100-T105 HydrophobicContact CD1-CG2 4.28Å; P101-T105 PolarHBondContact O-N 2.81Å; P101-T105 VanDerWaalsContact O-N 3.14Å; R102-T105 WeakPolarHBondContact CA-OG1 3.23Å; R102-T105 PolarHBondContact O-N 2.89Å; R102-T105 PolarHBondContact O-OG1 2.82Å; T105-L107 PolarHBondContact O-N 3.23Å |
| 106 | G | 92.7 | Very high | 95.7 | Very high | 43 Ų | 43 | 65 Ų | 65 | 44% | 0.443 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72 | 16.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | P71 R102 V104 | P71-G106 VanDerWaalsContact CD-O 3.23Å; P71-G106 WeakPolarHBondContact CD-O 3.34Å; R102-G106 PolarHBondContact O-N 3.43Å; V104-G106 PolarHBondContact O-N 3.29Å |
| 107 | L | 96.1 | Very high | 95.8 | Very high | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | trans | -77.9 | 146.3 | 179.6 | -66.8 | 169 | 0 | 0 | 0 | 112.5 | P71 I72 F92 R102 T105 H112 I115 | P71-L107 HydrophobicContact CB-CD2 4.49Å; P71-L107 HydrophobicContact CG-CD2 4.44Å; I72-L107 HydrophobicContact CB-CD2 4.45Å; I72-L107 HydrophobicContact CG1-CD2 3.57Å; F92-L107 HydrophobicContact CD1-CD1 3.84Å; F92-L107 HydrophobicContact CD1-CG 4.48Å; F92-L107 HydrophobicContact CE1-CD1 3.92Å; F92-L107 HydrophobicContact CE1-CD2 4.1Å; F92-L107 HydrophobicContact CE1-CG 4.13Å; F92-L107 HydrophobicContact CG-CD1 4.27Å; F92-L107 HydrophobicContact CZ-CD1 4.42Å; F92-L107 HydrophobicContact CZ-CD2 4.16Å; R102-L107 WeakPolarHBondContact CD-O 3.42Å; R102-L107 VanDerWaalsContact CG-O 3.24Å; R102-L107 WeakPolarHBondContact CG-O 3.47Å; T105-L107 PolarHBondContact O-N 3.23Å; L107-H112 HydrophobicContact CB-CB 4.1Å; L107-I115 HydrophobicContact CD1-CD1 3.6Å; L107-I115 HydrophobicContact CD2-CD1 4.08Å | ||
| 108 | C | 95.4 | Very high | 96 | Very high | 49 Ų | 49 | 59.5 Ų | 59.5 | 33% | 0.331 | 29% | 0.29 | S | S | . | . | trans | -59.4 | 152.7 | 165.8 | -72.8 | 0 | 0 | 0 | 0 | 110.5 | C70 E110 E111 H112 | C70-C108 HydrophobicContact CB-CB 4.3Å; C70-C108 VanDerWaalsContact CB-SG 3.55Å; C108-E110 PolarHBondContact O-N 2.92Å; C108-E111 HydrophobicContact CB-CG 4.45Å; C108-E111 PolarHBondContact O-N 3.19Å; C108-H112 VanDerWaalsContact O-CB 3.3Å; C108-H112 WeakPolarHBondContact O-CB 3.14Å; C108-H112 PolarHBondContact O-N 3.31Å | ||
| 109 | R | 96.7 | Very high | 96.1 | Very high | 164 Ų | 164 | 58.4 Ų | 58.4 | 62% | 0.619 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -56.1 | -39.6 | -179.7 | -175.1 | -179.7 | -176.2 | -178.8 | 2.7 | 112.6 | R113 | R109-R113 VanDerWaalsContact NH2-NH2 3.14Å; R109-R113 WeakPolarHBondContact O-CG 3.36Å; R109-R113 PolarHBondContact O-N 3.23Å |
| 110 | E | 96.4 | Very high | 96.2 | Very high | 122 Ų | 122 | 60 Ų | 60 | 57% | 0.57 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65.1 | -54.9 | 178.6 | -63.1 | -179 | 169.2 | 0 | 0 | 111.8 | C108 H112 R113 K114 | C108-E110 PolarHBondContact O-N 2.92Å; E110-H112 VanDerWaalsContact C-N 3.28Å; E110-H112 PolarHBondContact O-N 3.34Å; E110-R113 PolarHBondContact O-N 3.26Å; E110-R113 VanDerWaalsContact O-N 3.14Å; E110-K114 PolarHBondContact O-N 3.06Å |
| 111 | E | 97.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.5 | -34.9 | -178.6 | -62 | -54.5 | 132.3 | 0 | 0 | 111.8 | I72 Y81 C108 R113 K114 I115 | I72-E111 HydrophobicContact CB-CG 4.44Å; I72-E111 HydrophobicContact CG2-CG 4.26Å; Y81-E111 VanDerWaalsContact CE1-OE2 3.24Å; Y81-E111 WeakPolarHBondContact CE1-OE2 3.27Å; Y81-E111 VanDerWaalsContact CZ-OE2 3.32Å; Y81-E111 PolarHBondContact OH-OE2 3.29Å; C108-E111 HydrophobicContact CB-CG 4.45Å; C108-E111 PolarHBondContact O-N 3.19Å; E111-R113 VanDerWaalsContact C-N 3.35Å; E111-R113 PolarHBondContact O-N 3.19Å; E111-K114 PolarHBondContact O-N 3.26Å; E111-K114 IonicContact OE1-NZ 2.9Å; E111-K114 PolarHBondContact OE1-NZ 2.97Å; E111-I115 WeakPolarHBondContact O-CB 3.39Å; E111-I115 WeakPolarHBondContact O-CG1 3.41Å; E111-I115 PolarHBondContact O-N 3.43Å |
| 112 | H | 97.7 | Very high | 96.3 | Very high | 29 Ų | 29 | 55.8 Ų | 55.8 | 13% | 0.134 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.7 | -43 | 174 | -169.3 | 63.9 | 0 | 0 | 0 | 112.2 | L100 R102 L107 C108 E110 E116 | L100-H112 PolarHBondContact O-CE1 3.28Å; L100-H112 VanDerWaalsContact O-CE1 3.27Å; R102-H112 HydrophobicContact CG-CB 4.21Å; L107-H112 HydrophobicContact CB-CB 4.1Å; C108-H112 VanDerWaalsContact O-CB 3.3Å; C108-H112 WeakPolarHBondContact O-CB 3.14Å; C108-H112 PolarHBondContact O-N 3.31Å; E110-H112 VanDerWaalsContact C-N 3.28Å; E110-H112 PolarHBondContact O-N 3.34Å; H112-E116 WeakPolarHBondContact O-CB 3.44Å; H112-E116 PolarHBondContact O-N 3.44Å |
| 113 | R | 97.8 | Very high | 96.4 | Very high | 121 Ų | 121 | 52.9 Ų | 52.9 | 46% | 0.457 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.5 | -40.3 | 176.8 | -73 | 172.7 | 169.2 | -177.9 | -6.4 | 112.4 | R109 E110 E111 E116 E117 L180 | R109-R113 VanDerWaalsContact NH2-NH2 3.14Å; R109-R113 WeakPolarHBondContact O-CG 3.36Å; R109-R113 PolarHBondContact O-N 3.23Å; E110-R113 PolarHBondContact O-N 3.26Å; E110-R113 VanDerWaalsContact O-N 3.14Å; E111-R113 VanDerWaalsContact C-N 3.35Å; E111-R113 PolarHBondContact O-N 3.19Å; R113-E116 PolarHBondContact O-N 2.74Å; R113-E117 PolarHBondContact O-N 2.94Å; R113-E117 VanDerWaalsContact O-N 3.09Å; R113-L180 HydrophobicContact CB-CD1 4.15Å |
| 114 | K | 97.9 | Very high | 96.5 | Very high | 11 Ų | 11 | 46 Ų | 46 | 5% | 0.048 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.9 | -49.2 | 176.9 | -73 | 177.5 | -174 | 169.8 | 0 | 111.1 | Y81 E110 E111 E116 E117 C118 L180 L181 | Y81-K114 HydrophobicContact CE2-CB 4.31Å; Y81-K114 WeakPolarHBondContact OH-CB 3.25Å; Y81-K114 WeakPolarHBondContact OH-CD 3.09Å; E110-K114 PolarHBondContact O-N 3.06Å; E111-K114 PolarHBondContact O-N 3.26Å; E111-K114 IonicContact OE1-NZ 2.9Å; E111-K114 PolarHBondContact OE1-NZ 2.97Å; K114-E116 PolarHBondContact O-N 2.62Å; K114-E117 PolarHBondContact O-N 2.83Å; K114-C118 PolarHBondContact O-N 2.94Å; K114-C118 PolarHBondContact O-SG 3.34Å; K114-C118 VanDerWaalsContact O-SG 3.37Å; K114-L180 VanDerWaalsContact CE-O 3.25Å; K114-L180 WeakPolarHBondContact CE-O 3.28Å; K114-L180 HydrophobicContact CG-CB 4.13Å; K114-L181 HydrophobicContact CB-CD2 3.95Å; K114-L181 HydrophobicContact CD-CD2 4.21Å; K114-L181 HydrophobicContact CG-CD2 4Å |
| 115 | I | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.4 | -45.1 | 177.3 | -68.9 | 167.9 | 0 | 0 | 0 | 110.3 | I72 Y81 L89 F92 M99 L107 E111 E117 C118 V119 | I72-I115 HydrophobicContact CD1-CD1 4.07Å; I72-I115 HydrophobicContact CG1-CD1 3.98Å; Y81-I115 HydrophobicContact CE2-CG1 3.94Å; L89-I115 HydrophobicContact CD2-CG2 4.06Å; F92-I115 HydrophobicContact CB-CG2 4.23Å; F92-I115 HydrophobicContact CD2-CD1 4.04Å; F92-I115 HydrophobicContact CD2-CG2 4.21Å; F92-I115 HydrophobicContact CE2-CD1 4Å; F92-I115 HydrophobicContact CG-CG2 4.47Å; M99-I115 HydrophobicContact CE-CB 4.24Å; M99-I115 HydrophobicContact CE-CG2 3.61Å; M99-I115 HydrophobicContact SD-CG2 4.25Å; L107-I115 HydrophobicContact CD1-CD1 3.6Å; L107-I115 HydrophobicContact CD2-CD1 4.08Å; E111-I115 WeakPolarHBondContact O-CB 3.39Å; E111-I115 WeakPolarHBondContact O-CG1 3.41Å; E111-I115 PolarHBondContact O-N 3.43Å; I115-E117 VanDerWaalsContact C-N 3.26Å; I115-E117 PolarHBondContact O-N 2.91Å; I115-C118 WeakPolarHBondContact O-CB 3.28Å; I115-C118 PolarHBondContact O-N 3.18Å; I115-C118 VanDerWaalsContact O-N 3.17Å; I115-V119 HydrophobicContact CG2-CG2 4.1Å; I115-V119 WeakPolarHBondContact O-CB 3.28Å; I115-V119 VanDerWaalsContact O-CG2 3.25Å; I115-V119 WeakPolarHBondContact O-CG2 3.37Å; I115-V119 PolarHBondContact O-N 3.44Å |
| 116 | E | 97.9 | Very high | 96.9 | Very high | 68 Ų | 68 | 43.8 Ų | 43.8 | 32% | 0.318 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -55.2 | -42.9 | 176.8 | -170.1 | -166.4 | 155.3 | 0 | 0 | 112 | M99 H112 R113 K114 V119 K120 | M99-E116 HydrophobicContact CG-CG 4.49Å; H112-E116 WeakPolarHBondContact O-CB 3.44Å; H112-E116 PolarHBondContact O-N 3.44Å; R113-E116 PolarHBondContact O-N 2.74Å; K114-E116 PolarHBondContact O-N 2.62Å; E116-V119 PolarHBondContact O-N 3.01Å; E116-K120 WeakPolarHBondContact O-CG 3.47Å; E116-K120 PolarHBondContact O-N 2.84Å; E116-K120 VanDerWaalsContact OE1-CE 3.29Å; E116-K120 WeakPolarHBondContact OE1-CE 3.24Å; E116-K120 IonicContact OE1-NZ 3.93Å; E116-K120 PolarHBondContact OE1-NZ 3.08Å |
| 117 | E | 97.7 | Very high | 97.1 | Very high | 26 Ų | 26 | 44.9 Ų | 44.9 | 12% | 0.121 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.7 | -39.6 | 177.9 | -164.8 | 58.4 | -154.4 | 0 | 0 | 112.5 | R113 K114 I115 V119 K120 M121 R124 S178 L180 | R113-E117 PolarHBondContact O-N 2.94Å; R113-E117 VanDerWaalsContact O-N 3.09Å; K114-E117 PolarHBondContact O-N 2.83Å; I115-E117 VanDerWaalsContact C-N 3.26Å; I115-E117 PolarHBondContact O-N 2.91Å; E117-V119 VanDerWaalsContact C-N 3.32Å; E117-V119 PolarHBondContact O-N 3.16Å; E117-K120 PolarHBondContact O-N 3.24Å; E117-K120 IonicContact OE2-NZ 3.88Å; E117-M121 HydrophobicContact CG-SD 4.36Å; E117-M121 VanDerWaalsContact O-CG 3.3Å; E117-M121 WeakPolarHBondContact O-CG 3.33Å; E117-M121 PolarHBondContact O-N 2.99Å; E117-R124 IonicContact OE1-NH1 2.7Å; E117-S178 WeakPolarHBondContact CG-OG 3.23Å; E117-L180 HydrophobicContact CB-CD1 4.33Å |
| 118 | C | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.3 | -44 | 171.8 | -72.4 | 0 | 0 | 0 | 0 | 111.6 | L89 K114 I115 M121 A122 | L89-C118 HydrophobicContact CD1-CB 4.09Å; L89-C118 HydrophobicContact CD2-CB 3.7Å; K114-C118 PolarHBondContact O-N 2.94Å; K114-C118 PolarHBondContact O-SG 3.34Å; K114-C118 VanDerWaalsContact O-SG 3.37Å; I115-C118 WeakPolarHBondContact O-CB 3.28Å; I115-C118 PolarHBondContact O-N 3.18Å; I115-C118 VanDerWaalsContact O-N 3.17Å; C118-M121 PolarHBondContact O-N 3.29Å; C118-A122 WeakPolarHBondContact O-CB 3.45Å; C118-A122 PolarHBondContact O-N 3.03Å |
| 119 | V | 97.9 | Very high | 97.1 | Very high | 6 Ų | 6 | 46.2 Ų | 46.2 | 4% | 0.036 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 176.8 | 170 | 0 | 0 | 0 | 0 | 110.7 | L89 I93 M99 I115 E116 E117 M121 A122 H123 | L89-V119 HydrophobicContact CB-CG2 4.31Å; L89-V119 HydrophobicContact CD2-CG2 4.16Å; I93-V119 HydrophobicContact CD1-CB 4.33Å; I93-V119 HydrophobicContact CD1-CG1 3.77Å; I93-V119 HydrophobicContact CD1-CG2 3.63Å; I93-V119 HydrophobicContact CG1-CG1 3.97Å; I93-V119 HydrophobicContact CG1-CG2 3.74Å; M99-V119 HydrophobicContact SD-CG2 4.39Å; I115-V119 HydrophobicContact CG2-CG2 4.1Å; I115-V119 WeakPolarHBondContact O-CB 3.28Å; I115-V119 VanDerWaalsContact O-CG2 3.25Å; I115-V119 WeakPolarHBondContact O-CG2 3.37Å; I115-V119 PolarHBondContact O-N 3.44Å; E116-V119 PolarHBondContact O-N 3.01Å; E117-V119 VanDerWaalsContact C-N 3.32Å; E117-V119 PolarHBondContact O-N 3.16Å; V119-M121 VanDerWaalsContact C-N 3.33Å; V119-M121 PolarHBondContact O-N 3.29Å; V119-A122 PolarHBondContact O-N 3.34Å; V119-H123 PolarHBondContact O-CD2 2.55Å; V119-H123 PolarHBondContact O-N 3.44Å |
| 120 | K | 97.5 | Very high | 97 | Very high | 76 Ų | 76 | 45.3 Ų | 45.3 | 33% | 0.33 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.7 | -43.2 | 174.8 | -72.5 | 169.2 | -172.8 | 164.9 | 0 | 111.8 | E116 E117 R124 | E116-K120 WeakPolarHBondContact O-CG 3.47Å; E116-K120 PolarHBondContact O-N 2.84Å; E116-K120 VanDerWaalsContact OE1-CE 3.29Å; E116-K120 WeakPolarHBondContact OE1-CE 3.24Å; E116-K120 IonicContact OE1-NZ 3.93Å; E116-K120 PolarHBondContact OE1-NZ 3.08Å; E117-K120 PolarHBondContact O-N 3.24Å; E117-K120 IonicContact OE2-NZ 3.88Å; K120-R124 WeakPolarHBondContact O-CD 3.33Å; K120-R124 VanDerWaalsContact O-CG 3.23Å; K120-R124 WeakPolarHBondContact O-CG 3.49Å; K120-R124 PolarHBondContact O-N 2.87Å |
| 121 | M | 97.7 | Very high | 97 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.7 | -44.6 | 176.8 | -70.4 | 168 | 64.1 | 0 | 0 | 111.6 | Y83 E117 C118 V119 R124 A125 L151 | Y83-M121 HydrophobicContact CD1-CE 3.98Å; Y83-M121 HydrophobicContact CD2-CB 4.43Å; Y83-M121 HydrophobicContact CG-CB 4.27Å; Y83-M121 HydrophobicContact CG-CE 4.04Å; E117-M121 HydrophobicContact CG-SD 4.36Å; E117-M121 VanDerWaalsContact O-CG 3.3Å; E117-M121 WeakPolarHBondContact O-CG 3.33Å; E117-M121 PolarHBondContact O-N 2.99Å; C118-M121 PolarHBondContact O-N 3.29Å; V119-M121 VanDerWaalsContact C-N 3.33Å; V119-M121 PolarHBondContact O-N 3.29Å; M121-R124 PolarHBondContact O-N 3.07Å; M121-A125 WeakPolarHBondContact O-CB 3.24Å; M121-A125 PolarHBondContact O-N 3.3Å; M121-L151 HydrophobicContact CE-CB 4.35Å; M121-L151 HydrophobicContact CE-CD2 3.52Å; M121-L151 HydrophobicContact CE-CG 4.48Å |
| 122 | A | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.3 | -43.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | L89 C118 V119 R124 A125 G126 L127 L128 | L89-A122 HydrophobicContact CD1-CB 4.12Å; C118-A122 WeakPolarHBondContact O-CB 3.45Å; C118-A122 PolarHBondContact O-N 3.03Å; V119-A122 PolarHBondContact O-N 3.34Å; A122-R124 PolarHBondContact O-N 2.91Å; A122-A125 PolarHBondContact O-N 3.33Å; A122-G126 PolarHBondContact O-N 2.9Å; A122-L127 HydrophobicContact CB-CB 4.37Å; A122-L127 HydrophobicContact CB-CD1 4.26Å; A122-L127 PolarHBondContact O-N 3.17Å; A122-L127 VanDerWaalsContact O-N 3.07Å; A122-L128 HydrophobicContact CB-CD1 4.17Å |
| 123 | H | 96.9 | Very high | 96.5 | Very high | 64 Ų | 64 | 51.8 Ų | 51.8 | 30% | 0.296 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 173.9 | -82 | -64 | 0 | 0 | 0 | 112.5 | G97 V119 A125 G126 H131 | G97-H123 WeakPolarHBondContact CA-NE2 3.44Å; G97-H123 PolarHBondContact O-NE2 3.37Å; V119-H123 PolarHBondContact O-CD2 2.55Å; V119-H123 PolarHBondContact O-N 3.44Å; H123-A125 VanDerWaalsContact C-N 3.33Å; H123-G126 PolarHBondContact O-N 3.37Å; H123-H131 PolarHBondContact CE1-O 3.48Å |
| 124 | R | 96.1 | Very high | 96.1 | Very high | 59 Ų | 59 | 53 Ų | 53 | 22% | 0.223 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.8 | -33.7 | 177.8 | -68.4 | 167.2 | -169.5 | 151.5 | -3.4 | 112.1 | E117 K120 M121 A122 G126 R149 T152 R153 | E117-R124 IonicContact OE1-NH1 2.7Å; K120-R124 WeakPolarHBondContact O-CD 3.33Å; K120-R124 VanDerWaalsContact O-CG 3.23Å; K120-R124 WeakPolarHBondContact O-CG 3.49Å; K120-R124 PolarHBondContact O-N 2.87Å; M121-R124 PolarHBondContact O-N 3.07Å; A122-R124 PolarHBondContact O-N 2.91Å; R124-G126 VanDerWaalsContact C-N 3.29Å; R124-R149 VanDerWaalsContact O-CD 3.25Å; R124-R149 WeakPolarHBondContact O-CD 3.3Å; R124-R149 WeakPolarHBondContact O-CG 3.08Å; R124-T152 WeakPolarHBondContact CB-OG1 3.36Å; R124-T152 WeakPolarHBondContact CD-OG1 3.45Å; R124-T152 PolarHBondContact NH1-O 3.46Å; R124-R153 PolarHBondContact NH1-O 2.79Å; R124-R153 PolarHBondContact NH2-O 3.31Å |
| 125 | A | 96.7 | Very high | 95.8 | Very high | 28 Ų | 28 | 57.6 Ų | 57.6 | 23% | 0.231 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -76.3 | -14.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y83 M121 A122 H123 L127 R149 | Y83-A125 HydrophobicContact CE2-CB 4.3Å; M121-A125 WeakPolarHBondContact O-CB 3.24Å; M121-A125 PolarHBondContact O-N 3.3Å; A122-A125 PolarHBondContact O-N 3.33Å; H123-A125 VanDerWaalsContact C-N 3.33Å; A125-L127 HydrophobicContact CB-CD1 4.47Å; A125-L127 HydrophobicContact CB-CG 4.16Å; A125-R149 VanDerWaalsContact CA-O 3.27Å; A125-R149 WeakPolarHBondContact CA-O 3.3Å |
| 126 | G | 95.6 | Very high | 95.6 | Very high | 47 Ų | 47 | 61.8 Ų | 61.8 | 49% | 0.485 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 17 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | A122 H123 R124 L128 | A122-G126 PolarHBondContact O-N 2.9Å; H123-G126 PolarHBondContact O-N 3.37Å; R124-G126 VanDerWaalsContact C-N 3.29Å; G126-L128 VanDerWaalsContact C-N 3.29Å; G126-L128 PolarHBondContact O-N 2.89Å |
| 127 | L | 97 | Very high | 95.2 | Very high | 66 Ų | 66 | 68 Ų | 68 | 35% | 0.346 | 36% | 0.356 | S | S | . | . | trans | -74.5 | -16 | -177.2 | -61.4 | 178.5 | 0 | 0 | 0 | 114.1 | Y83 V86 A122 A125 P129 | Y83-L127 HydrophobicContact CD2-CD1 4.05Å; Y83-L127 HydrophobicContact CE2-CD1 4.26Å; Y83-L127 WeakPolarHBondContact O-CD1 3.45Å; V86-L127 HydrophobicContact CG2-CB 3.83Å; V86-L127 HydrophobicContact CG2-CD1 4.15Å; A122-L127 HydrophobicContact CB-CB 4.37Å; A122-L127 HydrophobicContact CB-CD1 4.26Å; A122-L127 PolarHBondContact O-N 3.17Å; A122-L127 VanDerWaalsContact O-N 3.07Å; A125-L127 HydrophobicContact CB-CD1 4.47Å; A125-L127 HydrophobicContact CB-CG 4.16Å; L127-P129 VanDerWaalsContact C-CD 3.41Å; L127-P129 WeakPolarHBondContact O-CD 3.29Å | ||
| 128 | L | 95.9 | Very high | 94.7 | Very high | 9 Ų | 9 | 70.6 Ų | 70.6 | 5% | 0.047 | 39% | 0.39 | C | S | . | . | trans | -116.7 | 71.3 | -176.6 | -67.4 | 168.9 | 0 | 0 | 0 | 111 | V86 I93 A122 G126 H131 | V86-L128 HydrophobicContact CG1-CD2 3.51Å; V86-L128 HydrophobicContact CG1-CG 4.43Å; I93-L128 HydrophobicContact CD1-CD1 3.71Å; A122-L128 HydrophobicContact CB-CD1 4.17Å; G126-L128 VanDerWaalsContact C-N 3.29Å; G126-L128 PolarHBondContact O-N 2.89Å; L128-H131 HydrophobicContact CB-CB 4.25Å; L128-H131 PolarHBondContact O-N 3.28Å | ||
| 129 | P | 94.9 | Very high | 94.2 | Very high | 72 Ų | 72 | 73.9 Ų | 73.9 | 47% | 0.468 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -69 | -34.1 | -175.8 | 27 | -34.7 | 0 | 0 | 0 | 113.4 | L127 H131 R132 | L127-P129 VanDerWaalsContact C-CD 3.41Å; L127-P129 WeakPolarHBondContact O-CD 3.29Å; P129-H131 VanDerWaalsContact C-N 3.31Å; P129-R132 WeakPolarHBondContact O-CG 3.43Å; P129-R132 PolarHBondContact O-NE 3.22Å |
| 130 | N | 95.2 | Very high | 93.6 | Very high | 146 Ų | 146 | 81.2 Ų | 81.2 | 78% | 0.781 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -77.6 | -17.7 | -178.1 | -61.1 | -17.1 | 0 | 0 | 0 | 112.8 | R132 | N130-R132 PolarHBondContact O-N 3.09Š|
| 131 | H | 94.9 | Very high | 93.2 | Very high | 47 Ų | 47 | 82.4 Ų | 82.4 | 22% | 0.218 | 47% | 0.466 | C | S | . | . | trans | -100.6 | 65.4 | -177 | -60.5 | -80.7 | 0 | 0 | 0 | 111.6 | R94 P95 H123 L128 P129 | R94-H131 PolarHBondContact O-ND1 3.49Å; P95-H131 VanDerWaalsContact O-CA 3.25Å; P95-H131 WeakPolarHBondContact O-CA 3.34Å; P95-H131 PolarHBondContact O-ND1 2.96Å; H123-H131 PolarHBondContact CE1-O 3.48Å; L128-H131 HydrophobicContact CB-CB 4.25Å; L128-H131 PolarHBondContact O-N 3.28Å; P129-H131 VanDerWaalsContact C-N 3.31Å | ||
| 132 | R | 92.9 | Very high | 92.8 | Very high | 150 Ų | 150 | 90.7 Ų | 90.7 | 57% | 0.566 | 50% | 0.502 | S | S | * | . | trans | -110.4 | 150.9 | 177.7 | -70.4 | -178.3 | -176.9 | 174 | 7.9 | 110.7 | P129 N130 | P129-R132 WeakPolarHBondContact O-CG 3.43Å; P129-R132 PolarHBondContact O-NE 3.22Å; N130-R132 PolarHBondContact O-N 3.09Å | ||
| 133 | P | 92.8 | Very high | 92.3 | Very high | 91 Ų | 91 | 98.8 Ų | 98.8 | 59% | 0.591 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 139.9 | 170.8 | 27.3 | -34.2 | 0 | 0 | 0 | 109.7 | L135 | P133-L135 PolarHBondContact O-N 3.47Š|
| 134 | Q | 90 | Very high | 91.9 | Very high | 145 Ų | 145 | 102.4 Ų | 102.4 | 68% | 0.678 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 131.2 | 169.1 | -77.2 | 173.2 | -7.8 | 0 | 0 | 109.2 | Y96 | Y96-Q134 HydrophobicContact CD1-CG 4.09Å; Y96-Q134 HydrophobicContact CE1-CB 4.4Å; Y96-Q134 HydrophobicContact CE1-CG 3.53Å; Y96-Q134 PolarHBondContact OH-NE2 2.7Å; Y96-Q134 PolarHBondContact OH-OE1 3.03Å |
| 135 | L | 91.2 | Very high | 91.6 | Very high | 108 Ų | 108 | 105 Ų | 105 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 142.7 | 173.2 | -64.7 | 174.9 | 0 | 0 | 0 | 108.7 | P133 | P133-L135 PolarHBondContact O-N 3.47Š|
| 136 | P | 92.6 | Very high | 91.2 | Very high | 88 Ų | 88 | 112.3 Ų | 112.3 | 57% | 0.571 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 154.8 | 171.5 | 28.4 | -33.7 | 0 | 0 | 0 | 110.3 | G138 C139 | P136-G138 PolarHBondContact O-N 2.77Å; P136-C139 HydrophobicContact CG-CB 4.05Å; P136-C139 WeakPolarHBondContact O-CB 3.49Å; P136-C139 PolarHBondContact O-N 2.85Å |
| 137 | E | 89.4 | Confident | 91.1 | Very high | 198 Ų | 198 | 115.8 Ų | 115.8 | 93% | 0.925 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | 138.6 | 178.6 | -64.1 | 176.6 | -170.7 | 0 | 0 | 111 | C139 | E137-C139 VanDerWaalsContact C-N 3.31Å; E137-C139 PolarHBondContact O-N 2.72Å |
| 138 | G | 88.8 | Confident | 91.1 | Very high | 81 Ų | 81 | 120.5 Ų | 120.5 | 84% | 0.835 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.7 | -8.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | P136 L140 | P136-G138 PolarHBondContact O-N 2.77Å; G138-L140 PolarHBondContact O-N 3.4Å |
| 139 | C | 86.8 | Confident | 91.1 | Very high | 70 Ų | 70 | 124.1 Ų | 124.1 | 47% | 0.473 | 66% | 0.657 | S | S | . | * | trans | -90.4 | 93.8 | 178.8 | -72.8 | 0 | 0 | 0 | 0 | 112.5 | P136 E137 | P136-C139 HydrophobicContact CG-CB 4.05Å; P136-C139 WeakPolarHBondContact O-CB 3.49Å; P136-C139 PolarHBondContact O-N 2.85Å; E137-C139 VanDerWaalsContact C-N 3.31Å; E137-C139 PolarHBondContact O-N 2.72Å | ||
| 140 | L | 86 | Confident | 91.3 | Very high | 160 Ų | 160 | 128.5 Ų | 128.5 | 84% | 0.838 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 135.3 | 172.3 | -61.4 | 178.2 | 0 | 0 | 0 | 111.5 | G138 K142 | G138-L140 PolarHBondContact O-N 3.4Å; L140-K142 PolarHBondContact O-N 3.06Å |
| 141 | P | 87.4 | Confident | 91.3 | Very high | 100 Ų | 100 | 124 Ų | 124 | 65% | 0.649 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -68 | 131.9 | 176.9 | 27.4 | -32.8 | 0 | 0 | 0 | 110.8 | ||
| 142 | K | 89 | Confident | 91.4 | Very high | 175 Ų | 175 | 123.3 Ų | 123.3 | 76% | 0.761 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 140.9 | 174.4 | -62.3 | -173.7 | 177.6 | -170.1 | 0 | 111.3 | L140 K144 | L140-K142 PolarHBondContact O-N 3.06Å; K142-K144 HydrophobicContact CB-CG 4.46Å; K142-K144 PolarHBondContact O-N 3.01Å |
| 143 | D | 87.5 | Confident | 91.6 | Very high | 170 Ų | 170 | 117.2 Ų | 117.2 | 91% | 0.909 | 62% | 0.617 | S | S | * | * | trans | -68.5 | 97.7 | 171.6 | -62.3 | -42.7 | 0 | 0 | 0 | 110.1 | ||||
| 144 | K | 89 | Confident | 91.8 | Very high | 140 Ų | 140 | 120.1 Ų | 120.1 | 61% | 0.609 | 62% | 0.616 | S | S | * | * | trans | -113.9 | 143.4 | 173 | -65.3 | -178.5 | -178.6 | -177.1 | 0 | 108.6 | K142 K146 | K142-K144 HydrophobicContact CB-CG 4.46Å; K142-K144 PolarHBondContact O-N 3.01Å; K144-K146 PolarHBondContact O-N 2.95Å | ||
| 145 | P | 90.6 | Very high | 92.1 | Very high | 113 Ų | 113 | 115.2 Ų | 115.2 | 73% | 0.734 | 60% | 0.6 | S | S | * | * | trans | -58.4 | 119.6 | 172.9 | 24.5 | -32.9 | 0 | 0 | 0 | 109.2 | L147 | P145-L147 PolarHBondContact O-N 3.23Å; P145-L147 VanDerWaalsContact O-N 3.16Å | ||
| 146 | K | 87.9 | Confident | 92.3 | Very high | 183 Ų | 183 | 113.4 Ų | 113.4 | 80% | 0.796 | 60% | 0.595 | S | S | * | * | trans | -78.6 | 99.9 | 176.3 | -70.4 | 177.5 | -174.4 | 162.8 | 0 | 108.1 | K144 N148 | K144-K146 PolarHBondContact O-N 2.95Å; K146-N148 PolarHBondContact O-N 2.9Å | ||
| 147 | L | 94.1 | Very high | 92.3 | Very high | 120 Ų | 120 | 118.9 Ų | 118.9 | 63% | 0.628 | 61% | 0.61 | S | S | * | * | trans | -76.6 | 118.3 | 176.2 | -55.6 | 177.1 | 0 | 0 | 0 | 110.3 | P145 R149 | P145-L147 PolarHBondContact O-N 3.23Å; P145-L147 VanDerWaalsContact O-N 3.16Å; L147-R149 PolarHBondContact O-N 3.48Å; L147-R149 PolarHBondContact O-NE 2.07Å | ||
| 148 | N | 96.4 | Very high | 92.6 | Very high | 165 Ų | 165 | 113.3 Ų | 113.3 | 88% | 0.882 | 59% | 0.593 | S | S | * | * | trans | -58.7 | 132.1 | 172.5 | -65.3 | -21.2 | 0 | 0 | 0 | 109.8 | K146 | K146-N148 PolarHBondContact O-N 2.9Š| ||
| 149 | R | 96.7 | Very high | 93 | Very high | 85 Ų | 85 | 113.5 Ų | 113.5 | 32% | 0.321 | 58% | 0.578 | S | S | . | * | trans | -150.8 | 151.3 | -179.4 | 69.9 | -168.6 | 72.6 | -149.8 | 5.8 | 109.5 | R124 A125 L147 T152 | R124-R149 VanDerWaalsContact O-CD 3.25Å; R124-R149 WeakPolarHBondContact O-CD 3.3Å; R124-R149 WeakPolarHBondContact O-CG 3.08Å; A125-R149 VanDerWaalsContact CA-O 3.27Å; A125-R149 WeakPolarHBondContact CA-O 3.3Å; L147-R149 PolarHBondContact O-N 3.48Å; L147-R149 PolarHBondContact O-NE 2.07Å; R149-T152 HydrophobicContact CB-CG2 3.78Å; R149-T152 HydrophobicContact CG-CG2 3.91Å | ||
| 150 | Y | 97.3 | Very high | 93.5 | Very high | 164 Ų | 164 | 118.9 Ų | 118.9 | 64% | 0.643 | 59% | 0.593 | S | S | * | * | trans | -146.9 | 164.1 | 174.3 | 60.8 | -84.9 | 0 | 0 | 0 | 108.8 | T152 | Y150-T152 WeakPolarHBondContact O-CG2 3.16Å; Y150-T152 PolarHBondContact O-N 3.15Å | ||
| 151 | L | 96.7 | Very high | 94 | Very high | 52 Ų | 52 | 115.1 Ų | 115.1 | 27% | 0.272 | 58% | 0.578 | S | S | . | * | S | Bend | trans | 51.7 | 29.7 | -179.8 | -68 | 170.1 | 0 | 0 | 0 | 115.1 | Y83 M121 R153 V176 G177 | Y83-L151 HydrophobicContact CD1-CD2 3.6Å; Y83-L151 HydrophobicContact CD1-CG 4.46Å; Y83-L151 HydrophobicContact CE1-CD2 3.26Å; Y83-L151 HydrophobicContact CE1-CG 3.75Å; M121-L151 HydrophobicContact CE-CB 4.35Å; M121-L151 HydrophobicContact CE-CD2 3.52Å; M121-L151 HydrophobicContact CE-CG 4.48Å; L151-R153 PolarHBondContact O-N 3.18Å; L151-V176 HydrophobicContact CB-CG1 3.76Å; L151-V176 HydrophobicContact CD1-CG1 4.12Å; L151-G177 PolarHBondContact O-N 2.94Å |
| 152 | T | 97.2 | Very high | 94.4 | Very high | 31 Ų | 31 | 114.2 Ų | 114.2 | 19% | 0.19 | 57% | 0.567 | C | S | . | * | trans | -84.3 | 115.7 | -174.7 | 55.6 | 0 | 0 | 0 | 0 | 112.5 | R124 R149 Y150 | R124-T152 WeakPolarHBondContact CB-OG1 3.36Å; R124-T152 WeakPolarHBondContact CD-OG1 3.45Å; R124-T152 PolarHBondContact NH1-O 3.46Å; R149-T152 HydrophobicContact CB-CG2 3.78Å; R149-T152 HydrophobicContact CG-CG2 3.91Å; Y150-T152 WeakPolarHBondContact O-CG2 3.16Å; Y150-T152 PolarHBondContact O-N 3.15Å | ||
| 153 | R | 96.9 | Very high | 94.8 | Very high | 22 Ų | 22 | 115.9 Ų | 115.9 | 8% | 0.083 | 57% | 0.57 | C | S | . | * | trans | -75.8 | -42.3 | 178.6 | -171.9 | -178.1 | -59.3 | 162.6 | 8.8 | 114.3 | R124 L151 A175 V176 G177 M194 | R124-R153 PolarHBondContact NH1-O 2.79Å; R124-R153 PolarHBondContact NH2-O 3.31Å; L151-R153 PolarHBondContact O-N 3.18Å; R153-A175 VanDerWaalsContact NH1-CB 3.29Å; R153-V176 PolarHBondContact NH2-O 2.99Å; R153-V176 VanDerWaalsContact NH2-O 3.14Å; R153-G177 WeakPolarHBondContact CB-O 3.42Å; R153-G177 VanDerWaalsContact CZ-O 3.26Å; R153-G177 PolarHBondContact NE-O 3.42Å; R153-G177 PolarHBondContact NH2-O 3.23Å; R153-M194 PolarHBondContact NH2-O 3.14Å | ||
| 154 | W | 97.2 | Very high | 95.2 | Very high | 153 Ų | 153 | 116.7 Ų | 116.7 | 58% | 0.58 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -100.3 | 156.7 | -172.8 | -57.6 | 120.3 | 0 | 0 | 0 | 111.9 | V159 | W154-V159 HydrophobicContact CB-CG2 3.4Å; W154-V159 HydrophobicContact CG-CG2 4.08Å |
| 155 | A | 95.9 | Very high | 95.5 | Very high | 41 Ų | 41 | 114.6 Ų | 114.6 | 34% | 0.339 | 56% | 0.556 | S | S | . | * | trans | -67 | 134.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | K157 S158 | A155-K157 PolarHBondContact O-N 3.04Å; A155-S158 PolarHBondContact O-N 3.23Å; A155-S158 PolarHBondContact O-OG 3.27Å | ||
| 156 | P | 94 | Very high | 95.7 | Very high | 70 Ų | 70 | 111.3 Ų | 111.3 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -30.4 | -175.3 | -29.4 | 37.7 | 0 | 0 | 0 | 114.6 | ||
| 157 | K | 93.3 | Very high | 96.1 | Very high | 203 Ų | 203 | 108.4 Ų | 108.4 | 88% | 0.883 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -15.2 | -179.1 | -64.1 | -176.8 | 178.7 | 178.4 | 0 | 114.1 | A155 | A155-K157 PolarHBondContact O-N 3.04Š|
| 158 | S | 96.5 | Very high | 96.2 | Very high | 82 Ų | 82 | 113.9 Ų | 113.9 | 57% | 0.573 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -10 | -175.6 | 67.2 | 0 | 0 | 0 | 0 | 113.4 | A155 | A155-S158 PolarHBondContact O-N 3.23Å; A155-S158 PolarHBondContact O-OG 3.27Å |
| 159 | V | 96.2 | Very high | 96.1 | Very high | 85 Ų | 85 | 115.9 Ų | 115.9 | 52% | 0.515 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -93.4 | 125.8 | -176.2 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | W154 | W154-V159 HydrophobicContact CB-CG2 3.4Å; W154-V159 HydrophobicContact CG-CG2 4.08Å |
| 160 | K | 97 | Very high | 96 | Very high | 182 Ų | 182 | 116 Ų | 116 | 79% | 0.791 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -88.3 | 146.5 | 170 | -66.2 | -177.9 | -180 | -179.9 | 0 | 110 | ||
| 161 | P | 96.9 | Very high | 96 | Very high | 81 Ų | 81 | 113 Ų | 113 | 53% | 0.526 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 144.6 | 173.6 | 28 | -35.3 | 0 | 0 | 0 | 111 | Y163 | P161-Y163 HydrophobicContact CG-CE1 4.01Å; P161-Y163 HydrophobicContact CG-CE2 3.83Å; P161-Y163 WeakPolarHBondContact CG-OH 3.25Å; P161-Y163 PolarHBondContact O-N 2.89Å |
| 162 | I | 96.1 | Very high | 95.9 | Very high | 82 Ų | 82 | 113.9 Ų | 113.9 | 42% | 0.421 | 54% | 0.544 | S | S | . | . | trans | -86.5 | 96.1 | 176.2 | -59.3 | 165.9 | 0 | 0 | 0 | 107.9 | K164 V172 M174 | I162-K164 WeakPolarHBondContact CG2-O 3.38Å; I162-V172 HydrophobicContact CD1-CB 4.36Å; I162-V172 HydrophobicContact CD1-CG1 3.71Å; I162-V172 HydrophobicContact CG1-CG1 4.37Å; I162-V172 HydrophobicContact CG2-CB 4.26Å; I162-V172 HydrophobicContact CG2-CG1 4.44Å; I162-M174 HydrophobicContact CD1-CG 4.26Å | ||
| 163 | Y | 96.9 | Very high | 95.8 | Very high | 209 Ų | 209 | 114 Ų | 114 | 82% | 0.82 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -70.7 | -35.1 | 178.7 | -63.2 | -70.5 | 0 | 0 | 0 | 113 | P161 | P161-Y163 HydrophobicContact CG-CE1 4.01Å; P161-Y163 HydrophobicContact CG-CE2 3.83Å; P161-Y163 WeakPolarHBondContact CG-OH 3.25Å; P161-Y163 PolarHBondContact O-N 2.89Å |
| 164 | K | 96.4 | Very high | 95.8 | Very high | 187 Ų | 187 | 117.8 Ų | 117.8 | 81% | 0.813 | 57% | 0.572 | S | S | * | * | trans | -118.7 | 106.1 | 179.5 | -63.5 | -177.9 | -178.1 | -178.5 | 0 | 109.3 | I162 | I162-K164 WeakPolarHBondContact CG2-O 3.38Š| ||
| 165 | K | 95.1 | Very high | 95.8 | Very high | 97 Ų | 97 | 112 Ų | 112 | 42% | 0.422 | 56% | 0.556 | S | S | . | * | trans | -75.5 | -22.7 | -176 | -158.9 | 176.1 | -164.5 | 175.5 | 0 | 113.9 | K171 V172 | K165-K171 HydrophobicContact CD-CG 4.45Å; K165-K171 HydrophobicContact CG-CG 4.09Å; K165-K171 CarbonylContact O-C 3.56Å; K165-K171 WeakPolarHBondContact O-CA 3.48Å; K165-V172 PolarHBondContact O-N 3.17Å | ||
| 166 | G | 94.9 | Very high | 95.9 | Very high | 43 Ų | 43 | 112 Ų | 112 | 44% | 0.443 | 55% | 0.552 | S | S | . | * | trans | 82.6 | 166.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 167 | H | 95.8 | Very high | 96 | Very high | 122 Ų | 122 | 109 Ų | 109 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | trans | -76.4 | 178.1 | 171.8 | -64.3 | -79 | 0 | 0 | 0 | 111 | W169 N170 K171 | H167-W169 VanDerWaalsContact C-N 3.28Å; H167-W169 HydrophobicContact CB-CD2 3.89Å; H167-W169 HydrophobicContact CB-CE3 3.96Å; H167-W169 HydrophobicContact CB-CH2 3.55Å; H167-W169 HydrophobicContact CB-CZ2 3.46Å; H167-W169 VanDerWaalsContact CB-CZ2 3.46Å; H167-W169 HydrophobicContact CB-CZ3 3.8Å; H167-W169 AromaticContact CD2-CZ2 3.73Å; H167-W169 AromaticContact CG-CH2 3.67Å; H167-W169 AromaticContact CG-CZ2 3.6Å; H167-W169 PolarHBondContact O-N 3.19Å; H167-N170 WeakPolarHBondContact CA-OD1 3.47Å; H167-N170 PolarHBondContact N-OD1 3.13Å; H167-N170 CarbonylContact O-C 3.59Å; H167-N170 PolarHBondContact O-N 3.47Å; H167-N170 PolarHBondContact O-OD1 3.17Å; H167-K171 WeakPolarHBondContact O-CA 3.49Å; H167-K171 WeakPolarHBondContact O-CB 3.45Å; H167-K171 PolarHBondContact O-N 3.36Å | ||
| 168 | R | 96.1 | Very high | 96.1 | Very high | 235 Ų | 235 | 99.5 Ų | 99.5 | 89% | 0.887 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -56 | -38.8 | -175.1 | -172.6 | -178.8 | -68.2 | -173.5 | 0.1 | 113.3 | ||
| 169 | W | 95.2 | Very high | 96.1 | Very high | 207 Ų | 207 | 98.5 Ų | 98.5 | 78% | 0.784 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -80 | -16.5 | -177.3 | 56.4 | 87.7 | 0 | 0 | 0 | 114.5 | H167 | H167-W169 VanDerWaalsContact C-N 3.28Å; H167-W169 HydrophobicContact CB-CD2 3.89Å; H167-W169 HydrophobicContact CB-CE3 3.96Å; H167-W169 HydrophobicContact CB-CH2 3.55Å; H167-W169 HydrophobicContact CB-CZ2 3.46Å; H167-W169 VanDerWaalsContact CB-CZ2 3.46Å; H167-W169 HydrophobicContact CB-CZ3 3.8Å; H167-W169 AromaticContact CD2-CZ2 3.73Å; H167-W169 AromaticContact CG-CH2 3.67Å; H167-W169 AromaticContact CG-CZ2 3.6Å; H167-W169 PolarHBondContact O-N 3.19Å |
| 170 | N | 95.2 | Very high | 96.1 | Very high | 89 Ų | 89 | 98.1 Ų | 98.1 | 48% | 0.476 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -133.3 | 32.8 | -179.5 | 66.3 | -9.3 | 0 | 0 | 0 | 112.3 | H167 V172 | H167-N170 WeakPolarHBondContact CA-OD1 3.47Å; H167-N170 PolarHBondContact N-OD1 3.13Å; H167-N170 CarbonylContact O-C 3.59Å; H167-N170 PolarHBondContact O-N 3.47Å; H167-N170 PolarHBondContact O-OD1 3.17Å; N170-V172 PolarHBondContact O-N 3.21Å |
| 171 | K | 95.8 | Very high | 96.1 | Very high | 101 Ų | 101 | 90 Ų | 90 | 44% | 0.439 | 44% | 0.444 | S | S | . | . | trans | -68.7 | 127.9 | -176.5 | -171.1 | -176.3 | 174.1 | -166.6 | 0 | 110.9 | K165 H167 G173 | K165-K171 HydrophobicContact CD-CG 4.45Å; K165-K171 HydrophobicContact CG-CG 4.09Å; K165-K171 CarbonylContact O-C 3.56Å; K165-K171 WeakPolarHBondContact O-CA 3.48Å; H167-K171 WeakPolarHBondContact O-CA 3.49Å; H167-K171 WeakPolarHBondContact O-CB 3.45Å; H167-K171 PolarHBondContact O-N 3.36Å; K171-G173 PolarHBondContact O-N 3.35Å | ||
| 172 | V | 95.8 | Very high | 96 | Very high | 69 Ų | 69 | 92.8 Ų | 92.8 | 42% | 0.418 | 45% | 0.448 | S | S | . | . | trans | -74.4 | 109.9 | 172.3 | -173.7 | 0 | 0 | 0 | 0 | 109.3 | I162 K165 N170 | I162-V172 HydrophobicContact CD1-CB 4.36Å; I162-V172 HydrophobicContact CD1-CG1 3.71Å; I162-V172 HydrophobicContact CG1-CG1 4.37Å; I162-V172 HydrophobicContact CG2-CB 4.26Å; I162-V172 HydrophobicContact CG2-CG1 4.44Å; K165-V172 PolarHBondContact O-N 3.17Å; N170-V172 PolarHBondContact O-N 3.21Å | ||
| 173 | G | 94.5 | Very high | 95.9 | Very high | 35 Ų | 35 | 93.1 Ų | 93.1 | 36% | 0.361 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 143.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K171 | K171-G173 PolarHBondContact O-N 3.35Š|
| 174 | M | 97 | Very high | 95.9 | Very high | 100 Ų | 100 | 84.2 Ų | 84.2 | 49% | 0.493 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -89.5 | 122.7 | 175.4 | -65.8 | 177.7 | -65.6 | 0 | 0 | 110.1 | I162 V176 M195 H196 | I162-M174 HydrophobicContact CD1-CG 4.26Å; M174-V176 PolarHBondContact O-N 2.73Å; M174-M195 CarbonylContact O-C 3.45Å; M174-M195 WeakPolarHBondContact O-CA 3.39Å; M174-H196 PolarHBondContact N-O 2.76Å; M174-H196 PolarHBondContact O-N 2.93Å |
| 175 | A | 97 | Very high | 95.9 | Very high | 31 Ų | 31 | 78.6 Ų | 78.6 | 26% | 0.256 | 40% | 0.399 | S | S | . | . | B | Isolated β-bridge | trans | -69.2 | 122.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R153 M195 | R153-A175 VanDerWaalsContact NH1-CB 3.29Å; A175-M195 HydrophobicContact CB-SD 3.93Å |
| 176 | V | 97.1 | Very high | 95.9 | Very high | 43 Ų | 43 | 76.6 Ų | 76.6 | 26% | 0.261 | 40% | 0.396 | S | S | . | . | trans | -124.7 | 136.3 | 173.4 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | L151 R153 M174 M194 | L151-V176 HydrophobicContact CB-CG1 3.76Å; L151-V176 HydrophobicContact CD1-CG1 4.12Å; R153-V176 PolarHBondContact NH2-O 2.99Å; R153-V176 VanDerWaalsContact NH2-O 3.14Å; M174-V176 PolarHBondContact O-N 2.73Å; V176-M194 PolarHBondContact N-O 3.14Å; V176-M194 CarbonylContact O-C 3.58Å; V176-M194 WeakPolarHBondContact O-CA 3.42Å; V176-M194 VanDerWaalsContact O-O 3.1Å | ||
| 177 | G | 96.1 | Very high | 95.9 | Very high | 5 Ų | 5 | 84.5 Ų | 84.5 | 5% | 0.052 | 41% | 0.414 | C | S | . | . | S | Bend | trans | 69.6 | -168.6 | -177 | 0 | 0 | 0 | 0 | 0 | 113.9 | L151 R153 | L151-G177 PolarHBondContact O-N 2.94Å; R153-G177 WeakPolarHBondContact CB-O 3.42Å; R153-G177 VanDerWaalsContact CZ-O 3.26Å; R153-G177 PolarHBondContact NE-O 3.42Å; R153-G177 PolarHBondContact NH2-O 3.23Å |
| 178 | S | 96.6 | Very high | 95.9 | Very high | 5 Ų | 5 | 82 Ų | 82 | 4% | 0.035 | 41% | 0.411 | C | S | . | . | trans | -115.9 | 134.4 | 178.7 | 177.7 | 0 | 0 | 0 | 0 | 111.8 | E117 L180 L181 M194 | E117-S178 WeakPolarHBondContact CG-OG 3.23Å; S178-L180 PolarHBondContact O-N 2.89Å; S178-L180 WeakPolarHBondContact OG-CB 3.18Å; S178-L180 PolarHBondContact OG-N 3.31Å; S178-L181 PolarHBondContact O-N 2.74Å; S178-L181 VanDerWaalsContact O-N 3.13Å; S178-M194 WeakPolarHBondContact O-CE 3.42Å | ||
| 179 | P | 96.7 | Very high | 95.9 | Very high | 61 Ų | 61 | 83.4 Ų | 83.4 | 40% | 0.396 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -62.5 | -19.9 | 173 | -19.8 | 33.1 | 0 | 0 | 0 | 113.2 | L181 K182 | P179-L181 PolarHBondContact O-N 3.06Å; P179-K182 WeakPolarHBondContact O-CB 3.32Å; P179-K182 WeakPolarHBondContact O-CD 2.97Å; P179-K182 WeakPolarHBondContact O-CG 3.45Å; P179-K182 PolarHBondContact O-N 3.13Å |
| 180 | L | 96.5 | Very high | 95.8 | Very high | 76 Ų | 76 | 83.2 Ų | 83.2 | 40% | 0.398 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -68.8 | -20.9 | 177.4 | -58.9 | 179.3 | 0 | 0 | 0 | 112.7 | R113 K114 E117 S178 | R113-L180 HydrophobicContact CB-CD1 4.15Å; K114-L180 VanDerWaalsContact CE-O 3.25Å; K114-L180 WeakPolarHBondContact CE-O 3.28Å; K114-L180 HydrophobicContact CG-CB 4.13Å; E117-L180 HydrophobicContact CB-CD1 4.33Å; S178-L180 PolarHBondContact O-N 2.89Å; S178-L180 WeakPolarHBondContact OG-CB 3.18Å; S178-L180 PolarHBondContact OG-N 3.31Å |
| 181 | L | 96 | Very high | 95.7 | Very high | 13 Ų | 13 | 84.6 Ų | 84.6 | 7% | 0.068 | 43% | 0.428 | C | S | . | . | G | 310 helix | trans | -100.9 | 11.7 | 179.8 | -57.5 | 175.2 | 0 | 0 | 0 | 112.1 | K114 S178 P179 D183 N184 | K114-L181 HydrophobicContact CB-CD2 3.95Å; K114-L181 HydrophobicContact CD-CD2 4.21Å; K114-L181 HydrophobicContact CG-CD2 4Å; S178-L181 PolarHBondContact O-N 2.74Å; S178-L181 VanDerWaalsContact O-N 3.13Å; P179-L181 PolarHBondContact O-N 3.06Å; L181-D183 PolarHBondContact O-N 2.93Å; L181-N184 WeakPolarHBondContact O-CB 3.35Å; L181-N184 PolarHBondContact O-N 3.24Å |
| 182 | K | 94.4 | Very high | 95.6 | Very high | 138 Ų | 138 | 84 Ų | 84 | 60% | 0.6 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -28.2 | -179.8 | 73 | -177.1 | -179.1 | 165.1 | 0 | 112.7 | P179 N184 M194 | P179-K182 WeakPolarHBondContact O-CB 3.32Å; P179-K182 WeakPolarHBondContact O-CD 2.97Å; P179-K182 WeakPolarHBondContact O-CG 3.45Å; P179-K182 PolarHBondContact O-N 3.13Å; K182-N184 VanDerWaalsContact C-N 3.26Å; K182-N184 PolarHBondContact O-N 3.25Å; K182-M194 HydrophobicContact CB-CE 4.27Å |
| 183 | D | 94.9 | Very high | 95.6 | Very high | 90 Ų | 90 | 87 Ų | 87 | 48% | 0.481 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 5.7 | -177.5 | -49 | -39.3 | 0 | 0 | 0 | 112.2 | H79 L181 | H79-D183 PolarHBondContact ND1-O 3.32Å; L181-D183 PolarHBondContact O-N 2.93Å |
| 184 | N | 96.1 | Very high | 95.5 | Very high | 22 Ų | 22 | 87.1 Ų | 87.1 | 12% | 0.118 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -63.5 | 152.2 | 177.3 | -81.1 | 6.9 | 0 | 0 | 0 | 111 | H79 Y81 L181 K182 C186 | H79-N184 WeakPolarHBondContact O-CA 3.34Å; Y81-N184 PolarHBondContact O-ND2 3.07Å; L181-N184 WeakPolarHBondContact O-CB 3.35Å; L181-N184 PolarHBondContact O-N 3.24Å; K182-N184 VanDerWaalsContact C-N 3.26Å; K182-N184 PolarHBondContact O-N 3.25Å; N184-C186 PolarHBondContact O-N 3.26Å; N184-C186 VanDerWaalsContact O-N 3.15Å |
| 185 | V | 96.1 | Very high | 95.4 | Very high | 69 Ų | 69 | 87.1 Ų | 87.1 | 42% | 0.418 | 43% | 0.429 | S | S | . | . | trans | -58.1 | 121.9 | 177.4 | 178.2 | 0 | 0 | 0 | 0 | 108.9 | H79 K80 Y187 | H79-V185 HydrophobicContact CB-CG2 4.12Å; H79-V185 PolarHBondContact O-N 3.31Å; K80-V185 HydrophobicContact CG-CG2 4.42Å; V185-Y187 HydrophobicContact CG1-CD1 4.18Å; V185-Y187 HydrophobicContact CG1-CD2 4.48Å; V185-Y187 HydrophobicContact CG1-CE1 3.72Å; V185-Y187 HydrophobicContact CG1-CE2 4.06Å | ||
| 186 | C | 95.4 | Very high | 95.3 | Very high | 54 Ų | 54 | 90.3 Ų | 90.3 | 37% | 0.365 | 44% | 0.438 | S | S | . | . | trans | -107.1 | 113.1 | 174 | -165.3 | 0 | 0 | 0 | 0 | 109 | N184 S188 R190 | N184-C186 PolarHBondContact O-N 3.26Å; N184-C186 VanDerWaalsContact O-N 3.15Å; C186-S188 PolarHBondContact O-N 2.8Å; C186-S188 PolarHBondContact SG-OG 3.22Å; C186-R190 PolarHBondContact SG-O 3.45Å | ||
| 187 | Y | 95.4 | Very high | 95.2 | Very high | 209 Ų | 209 | 92.7 Ų | 92.7 | 82% | 0.82 | 45% | 0.447 | S | S | * | . | trans | -78.6 | -11 | 176.8 | -60.5 | -73.8 | 0 | 0 | 0 | 112.9 | V185 | V185-Y187 HydrophobicContact CG1-CD1 4.18Å; V185-Y187 HydrophobicContact CG1-CD2 4.48Å; V185-Y187 HydrophobicContact CG1-CE1 3.72Å; V185-Y187 HydrophobicContact CG1-CE2 4.06Å | ||
| 188 | S | 95.8 | Very high | 95.2 | Very high | 71 Ų | 71 | 97.3 Ų | 97.3 | 50% | 0.497 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -94.8 | 155.8 | 177.1 | 94.7 | 0 | 0 | 0 | 0 | 110.7 | C186 R190 | C186-S188 PolarHBondContact O-N 2.8Å; C186-S188 PolarHBondContact SG-OG 3.22Å; S188-R190 PolarHBondContact O-N 3.24Å; S188-R190 PolarHBondContact OG-N 3.19Å; S188-R190 PolarHBondContact OG-O 3.18Å |
| 189 | R | 95.6 | Very high | 95.1 | Very high | 263 Ų | 263 | 102.4 Ų | 102.4 | 99% | 0.992 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -66.5 | -17.9 | 173.1 | -64.1 | -174.3 | -178.6 | -177.7 | 0.4 | 113.2 | ||
| 190 | R | 94.4 | Very high | 95 | Very high | 204 Ų | 204 | 104.9 Ų | 104.9 | 77% | 0.77 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -94.2 | 134.9 | -176.6 | -68 | -175.1 | 176.2 | -178.5 | -0 | 109.9 | C186 S188 | C186-R190 PolarHBondContact SG-O 3.45Å; S188-R190 PolarHBondContact O-N 3.24Å; S188-R190 PolarHBondContact OG-N 3.19Å; S188-R190 PolarHBondContact OG-O 3.18Å |
| 191 | P | 93.4 | Very high | 94.9 | Very high | 117 Ų | 117 | 106.7 Ų | 106.7 | 76% | 0.76 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 158.6 | 175 | 29.9 | -35.2 | 0 | 0 | 0 | 111.3 | K193 | P191-K193 PolarHBondContact O-N 2.97Š|
| 192 | L | 93.3 | Very high | 94.8 | Very high | 88 Ų | 88 | 112.9 Ų | 112.9 | 46% | 0.461 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 121.6 | 174.4 | -63.7 | 177 | 0 | 0 | 0 | 110.6 | M194 | L192-M194 HydrophobicContact CB-CE 3.78Å; L192-M194 HydrophobicContact CD1-CE 3.92Å; L192-M194 PolarHBondContact O-N 2.86Å |
| 193 | K | 94.5 | Very high | 94.8 | Very high | 132 Ų | 132 | 111.1 Ų | 111.1 | 57% | 0.574 | 53% | 0.528 | S | S | * | . | trans | -84.6 | 111.3 | 176.7 | -170.9 | 174.7 | 179.8 | 179.3 | 0 | 109.9 | P191 M195 H196 | P191-K193 PolarHBondContact O-N 2.97Å; K193-M195 WeakPolarHBondContact CE-O 3.43Å; K193-M195 WeakPolarHBondContact CG-O 3.33Å; K193-H196 PolarHBondContact O-NE2 3.47Å | ||
| 194 | M | 94 | Very high | 94.8 | Very high | 38 Ų | 38 | 112.8 Ų | 112.8 | 19% | 0.187 | 53% | 0.532 | C | S | . | . | trans | -95.9 | -7.6 | -176 | -62 | -64.5 | -177.2 | 0 | 0 | 114.2 | R153 V176 S178 K182 L192 | R153-M194 PolarHBondContact NH2-O 3.14Å; V176-M194 PolarHBondContact N-O 3.14Å; V176-M194 CarbonylContact O-C 3.58Å; V176-M194 WeakPolarHBondContact O-CA 3.42Å; V176-M194 VanDerWaalsContact O-O 3.1Å; S178-M194 WeakPolarHBondContact O-CE 3.42Å; K182-M194 HydrophobicContact CB-CE 4.27Å; L192-M194 HydrophobicContact CB-CE 3.78Å; L192-M194 HydrophobicContact CD1-CE 3.92Å; L192-M194 PolarHBondContact O-N 2.86Å | ||
| 195 | M | 95 | Very high | 94.7 | Very high | 101 Ų | 101 | 120.3 Ų | 120.3 | 50% | 0.498 | 57% | 0.566 | S | S | . | * | B | Isolated β-bridge | trans | -137.7 | 127.4 | -179.3 | -59.5 | -63 | -167.4 | 0 | 0 | 109.4 | M174 A175 K193 | M174-M195 CarbonylContact O-C 3.45Å; M174-M195 WeakPolarHBondContact O-CA 3.39Å; A175-M195 HydrophobicContact CB-SD 3.93Å; K193-M195 WeakPolarHBondContact CE-O 3.43Å; K193-M195 WeakPolarHBondContact CG-O 3.33Å |
| 196 | H | 94.2 | Very high | 94.6 | Very high | 98 Ų | 98 | 125 Ų | 125 | 45% | 0.454 | 58% | 0.58 | S | S | . | * | trans | -115.7 | 0 | -176.2 | -74.3 | -111.9 | 0 | 0 | 0 | 113.5 | M174 K193 | M174-H196 PolarHBondContact N-O 2.76Å; M174-H196 PolarHBondContact O-N 2.93Å; K193-H196 PolarHBondContact O-NE2 3.47Å |
Retrieved 196 of 196 residues in 302.3 ms
(Link to these results)