| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.6 | Very low | 38.4 | Very low | 250 Ų | 250 | 170.6 Ų | 170.6 | 100% | 1.232 | 83% | 0.833 | S | S | * | * | 0 | 143.4 | 0 | -62 | 154.1 | 175 | 0 | 0 | 106.9 | |||||
| 2 | A | 32.7 | Very low | 37.9 | Very low | 105 Ų | 105 | 165.7 Ų | 165.7 | 87% | 0.868 | 83% | 0.829 | S | S | * | * | cis | -134.9 | -160.9 | -6.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 3 | R | 36.5 | Very low | 37.9 | Very low | 243 Ų | 243 | 163 Ų | 163 | 92% | 0.917 | 82% | 0.819 | S | S | * | * | trans | -90.5 | 158.5 | -169.6 | -64.5 | 176.5 | 175.2 | 171.3 | -2.5 | 113.7 | ||||
| 4 | R | 46.4 | Very low | 37.7 | Very low | 214 Ų | 214 | 163.4 Ų | 163.4 | 81% | 0.808 | 82% | 0.816 | S | S | * | * | trans | -59.1 | 161.2 | 155.8 | -74 | -174.8 | 174.6 | -174.5 | -2.4 | 110.8 | ||||
| 5 | P | 47.3 | Very low | 37.6 | Very low | 107 Ų | 107 | 163.3 Ų | 163.3 | 70% | 0.695 | 82% | 0.82 | S | S | * | * | -121.3 | 160.7 | 120 | 35.4 | -32.4 | 0 | 0 | 0 | 113.1 | |||||
| 6 | R | 52.4 | Low | 37.7 | Very low | 214 Ų | 214 | 163.1 Ų | 163.1 | 81% | 0.808 | 82% | 0.822 | S | S | * | * | trans | -96.5 | 146.3 | 155.5 | -86.2 | 176.7 | 162.6 | 157.6 | -9 | 107.1 | ||||
| 7 | H | 36.8 | Very low | 37.8 | Very low | 184 Ų | 184 | 163.9 Ų | 163.9 | 85% | 0.852 | 82% | 0.823 | S | S | * | * | trans | -130 | 169.5 | 154.2 | -88.2 | -83.1 | 0 | 0 | 0 | 110.2 | ||||
| 8 | S | 35 | Very low | 37.7 | Very low | 106 Ų | 106 | 162.9 Ų | 162.9 | 74% | 0.741 | 82% | 0.82 | S | S | * | * | trans | -160 | 175.8 | -166.3 | -173.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 9 | I | 37.1 | Very low | 37.7 | Very low | 150 Ų | 150 | 163.4 Ų | 163.4 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | trans | 89.4 | 141.1 | 167.5 | -55.6 | 175.5 | 0 | 0 | 0 | 116.1 | ||||
| 10 | Y | 29.5 | Very low | 37.7 | Very low | 211 Ų | 211 | 163.8 Ų | 163.8 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | trans | 69.9 | 118.1 | 175.9 | -105.9 | -112.3 | 0 | 0 | 0 | 116.6 | ||||
| 11 | S | 34.7 | Very low | 37.6 | Very low | 93 Ų | 93 | 162.8 Ų | 162.8 | 65% | 0.65 | 82% | 0.816 | S | S | * | * | cis | 88.1 | 115.7 | 18.9 | -153.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 12 | S | 32.9 | Very low | 37.6 | Very low | 111 Ų | 111 | 156.5 Ų | 156.5 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -166.5 | 130.4 | 151.6 | -149 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 13 | D | 37.4 | Very low | 37.9 | Very low | 131 Ų | 131 | 157 Ų | 157 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -61 | 170 | 141.4 | -44.3 | -108.4 | 0 | 0 | 0 | 108 | ||||
| 14 | E | 35.3 | Very low | 38 | Very low | 168 Ų | 168 | 153.9 Ų | 153.9 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | cis | -108.6 | -172.8 | 11 | -59.1 | 99 | 175.8 | 0 | 0 | 111.3 | ||||
| 15 | D | 36.5 | Very low | 37.4 | Very low | 163 Ų | 163 | 151.3 Ų | 151.3 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | cis | -134.7 | 156.2 | 32.1 | -61.5 | -56.8 | 0 | 0 | 0 | 113.4 | ||||
| 16 | D | 39.6 | Very low | 37.1 | Very low | 160 Ų | 160 | 157 Ų | 157 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -126.2 | 176.2 | 174.6 | -136.1 | -33.5 | 0 | 0 | 0 | 109.8 | ||||
| 17 | E | 39.1 | Very low | 36.5 | Very low | 177 Ų | 177 | 154.1 Ų | 154.1 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | 79.7 | 168.5 | 169.3 | -43.9 | -150.1 | 106.4 | 0 | 0 | 119.8 | ||||
| 18 | D | 36.5 | Very low | 36.6 | Very low | 145 Ų | 145 | 148 Ų | 148 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | 58.7 | 94.3 | 174.8 | -65.8 | -10.7 | 0 | 0 | 0 | 121.4 | ||||
| 19 | I | 36.3 | Very low | 36.7 | Very low | 173 Ų | 173 | 151 Ų | 151 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | -151.4 | 133.9 | 99.8 | -110.1 | 169.9 | 0 | 0 | 0 | 111.6 | |||||
| 20 | E | 38.1 | Very low | 37 | Very low | 171 Ų | 171 | 152 Ų | 152 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | trans | -77 | 163.9 | -176.6 | -79.8 | -167.8 | 106.5 | 0 | 0 | 114.8 | ||||
| 21 | M | 36.5 | Very low | 37.5 | Very low | 142 Ų | 142 | 147.8 Ų | 147.8 | 70% | 0.7 | 79% | 0.79 | S | S | * | * | trans | -13.4 | 129.9 | 143.9 | -68.6 | -80.2 | -69.8 | 0 | 0 | 115.7 | D23 | M21-D23 WeakPolarHBondContact CE-OD2 3.22Š| ||
| 22 | C | 33.8 | Very low | 37.6 | Very low | 119 Ų | 119 | 152.7 Ų | 152.7 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -141.1 | 104.6 | 148.2 | -154 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 23 | D | 38.8 | Very low | 38.2 | Very low | 116 Ų | 116 | 153.4 Ų | 153.4 | 62% | 0.62 | 80% | 0.804 | S | S | * | * | trans | -67.4 | 138.5 | 175.3 | -72.1 | -63.4 | 0 | 0 | 0 | 110.5 | M21 | M21-D23 WeakPolarHBondContact CE-OD2 3.22Š| ||
| 24 | H | 37.3 | Very low | 38.2 | Very low | 177 Ų | 177 | 150.1 Ų | 150.1 | 82% | 0.819 | 80% | 0.801 | S | S | * | * | trans | -128.6 | 100 | 161.7 | -91.2 | 6.5 | 0 | 0 | 0 | 109.3 | Y26 | H24-Y26 PolarHBondContact O-N 3.44Š| ||
| 25 | D | 35.1 | Very low | 39 | Very low | 160 Ų | 160 | 151.9 Ų | 151.9 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | -54.4 | 129.2 | 169.7 | -65.9 | -69.7 | 0 | 0 | 0 | 110.9 | ||||
| 26 | Y | 39.8 | Very low | 39.7 | Very low | 227 Ų | 227 | 153 Ų | 153 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | -133.5 | 121.4 | 152.7 | -161.8 | -91 | 0 | 0 | 0 | 109.6 | H24 | H24-Y26 PolarHBondContact O-N 3.44Š| ||
| 27 | D | 39.5 | Very low | 40 | Very low | 152 Ų | 152 | 152.4 Ų | 152.4 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | -79.5 | 146.5 | -159.4 | -165.8 | 7.1 | 0 | 0 | 0 | 113.8 | ||||
| 28 | G | 40.2 | Very low | 40.9 | Very low | 56 Ų | 56 | 145.8 Ų | 145.8 | 58% | 0.577 | 76% | 0.76 | S | S | * | * | trans | 72.9 | 56.5 | 134.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 29 | L | 37.2 | Very low | 41.7 | Very low | 170 Ų | 170 | 141.6 Ų | 141.6 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | trans | -134.7 | 91.7 | 148.2 | -80.2 | -174.5 | 0 | 0 | 0 | 113 | P31 | L29-P31 VanDerWaalsContact O-CD 3.22Å; L29-P31 WeakPolarHBondContact O-CD 3.17Å | ||
| 30 | L | 42.8 | Very low | 42.8 | Very low | 170 Ų | 170 | 141.7 Ų | 141.7 | 89% | 0.89 | 75% | 0.745 | S | S | * | * | trans | -52.9 | 116.6 | 173.4 | -84 | 165.3 | 0 | 0 | 0 | 112.5 | K32 | L30-K32 PolarHBondContact O-N 2.65Š| ||
| 31 | P | 40.7 | Very low | 44.7 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 79% | 0.792 | 73% | 0.73 | S | S | * | * | trans | -68.6 | 105 | 163.5 | -13 | 29.7 | 0 | 0 | 0 | 108.1 | L29 | L29-P31 VanDerWaalsContact O-CD 3.22Å; L29-P31 WeakPolarHBondContact O-CD 3.17Å | ||
| 32 | K | 35.5 | Very low | 47.1 | Very low | 196 Ų | 196 | 140.6 Ų | 140.6 | 85% | 0.852 | 74% | 0.735 | S | S | * | * | trans | -47 | 146 | 166.7 | -72.7 | 177.6 | 177.6 | 173.5 | 0 | 109.1 | L30 G34 | L30-K32 PolarHBondContact O-N 2.65Å; K32-G34 PolarHBondContact O-N 3.03Å | ||
| 33 | S | 45.6 | Very low | 49.9 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 89% | 0.888 | 70% | 0.703 | S | S | * | * | trans | -65 | 63.3 | -172.5 | 45.3 | 0 | 0 | 0 | 0 | 114.6 | K35 | S33-K35 PolarHBondContact O-N 3.46Š| ||
| 34 | G | 38.7 | Very low | 52.4 | Low | 61 Ų | 61 | 133.5 Ų | 133.5 | 63% | 0.629 | 69% | 0.688 | S | S | * | * | trans | -61.7 | 129.7 | 174 | 0 | 0 | 0 | 0 | 0 | 110 | K32 R36 | K32-G34 PolarHBondContact O-N 3.03Å; G34-R36 PolarHBondContact O-N 2.83Å | ||
| 35 | K | 52.3 | Low | 55.1 | Low | 205 Ų | 205 | 133 Ų | 133 | 89% | 0.891 | 68% | 0.679 | S | S | * | * | trans | -50.7 | 108.3 | -179.4 | -65.1 | 176.3 | -179.9 | 177.7 | 0 | 109.4 | S33 H37 | S33-K35 PolarHBondContact O-N 3.46Å; K35-H37 PolarHBondContact O-N 3.28Å | ||
| 36 | R | 50 | Low | 57.8 | Low | 188 Ų | 188 | 131.2 Ų | 131.2 | 71% | 0.709 | 67% | 0.666 | S | S | * | * | trans | -46.2 | 125.4 | -168.6 | -62 | -178 | -68.9 | 177.6 | -1.8 | 111 | G34 L38 | G34-R36 PolarHBondContact O-N 2.83Å; R36-L38 HydrophobicContact CB-CD1 3.64Å; R36-L38 HydrophobicContact CG-CD1 4.34Å; R36-L38 PolarHBondContact O-N 2.92Å | ||
| 37 | H | 47.1 | Very low | 60.3 | Low | 147 Ų | 147 | 121.9 Ų | 121.9 | 68% | 0.681 | 63% | 0.63 | S | S | * | * | trans | -79.2 | 43.3 | -177.5 | -133.5 | 90.8 | 0 | 0 | 0 | 112.6 | K35 G39 | K35-H37 PolarHBondContact O-N 3.28Å; H37-G39 PolarHBondContact O-N 3.41Å | ||
| 38 | L | 56.7 | Low | 62.9 | Low | 38 Ų | 38 | 115.9 Ų | 115.9 | 20% | 0.199 | 60% | 0.598 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -60 | 2.7 | -165 | -133.9 | 85.4 | 0 | 0 | 0 | 116.5 | R36 N72 T74 Q77 | R36-L38 HydrophobicContact CB-CD1 3.64Å; R36-L38 HydrophobicContact CG-CD1 4.34Å; R36-L38 PolarHBondContact O-N 2.92Å; L38-N72 HydrophobicContact CD1-CB 4.08Å; L38-T74 HydrophobicContact CD2-CG2 4.01Å; L38-Q77 PolarHBondContact O-NE2 2.87Å |
| 39 | G | 53.4 | Low | 65.5 | Low | 57 Ų | 57 | 117.9 Ų | 117.9 | 59% | 0.588 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.9 | -3.4 | -165 | 0 | 0 | 0 | 0 | 0 | 116.4 | H37 | H37-G39 PolarHBondContact O-N 3.41Š|
| 40 | K | 58.7 | Low | 68.1 | Low | 175 Ų | 175 | 114.5 Ų | 114.5 | 76% | 0.761 | 57% | 0.57 | S | S | * | * | trans | -133.9 | -7.5 | -170.4 | -72.9 | -177.3 | 178.8 | 173.9 | 0 | 116.7 | R42 | K40-R42 PolarHBondContact O-N 3.27Š| ||
| 41 | T | 78.6 | Confident | 70.5 | Confident | 80 Ų | 80 | 106.4 Ų | 106.4 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 124.8 | 177 | -45 | 0 | 0 | 0 | 0 | 110.1 | R73 | T41-R73 PolarHBondContact O-NH1 3.07Å; T41-R73 PolarHBondContact O-NH2 3.33Å; T41-R73 VanDerWaalsContact O-NH2 3.09Å |
| 42 | R | 87.7 | Confident | 73 | Confident | 210 Ų | 210 | 105 Ų | 105 | 79% | 0.792 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 138.7 | 170 | -177.7 | -174.2 | 178.5 | -86.1 | 15.9 | 108.5 | K40 T44 R73 | K40-R42 PolarHBondContact O-N 3.27Å; R42-T44 PolarHBondContact O-N 3.13Å; R42-R73 PolarHBondContact O-NH2 3.16Å; R42-R73 VanDerWaalsContact O-NH2 3.12Å |
| 43 | W | 91.8 | Very high | 75.8 | Confident | 35 Ų | 35 | 101.8 Ų | 101.8 | 13% | 0.133 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 128.7 | 171.8 | -76.6 | 83.5 | 0 | 0 | 0 | 109.9 | E47 L51 R73 Q77 R81 | W43-E47 WeakPolarHBondContact CA-OE2 3.48Å; W43-E47 HydrophobicContact CE3-CB 3.76Å; W43-E47 HydrophobicContact CZ3-CB 4.06Å; W43-L51 HydrophobicContact CH2-CD2 3.71Å; W43-L51 HydrophobicContact CZ3-CB 4.41Å; W43-L51 HydrophobicContact CZ3-CD2 3.69Å; W43-R73 HydrophobicContact CH2-CB 4.29Å; W43-R73 HydrophobicContact CH2-CG 3.77Å; W43-R73 HydrophobicContact CZ2-CG 4.14Å; W43-R73 HydrophobicContact CZ3-CG 4.21Å; W43-Q77 HydrophobicContact CZ2-CB 4.2Å; W43-R81 VanDerWaalsContact CB-CZ 3.45Å; W43-R81 HydrophobicContact CD2-CB 4.27Å; W43-R81 HydrophobicContact CD2-CG 3.65Å; W43-R81 HydrophobicContact CE3-CG 3.81Å; W43-R81 HydrophobicContact CG-CG 4.23Å; W43-R81 HydrophobicContact CH2-CB 3.95Å; W43-R81 HydrophobicContact CH2-CG 4.06Å; W43-R81 HydrophobicContact CZ2-CB 3.57Å; W43-R81 HydrophobicContact CZ2-CG 3.87Å; W43-R81 HydrophobicContact CZ3-CB 4.42Å; W43-R81 HydrophobicContact CZ3-CG 4.02Å |
| 44 | T | 92.6 | Very high | 78 | Confident | 50 Ų | 50 | 96.3 Ų | 96.3 | 31% | 0.307 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -86.8 | 169.8 | 172.7 | 86.7 | 0 | 0 | 0 | 0 | 110.4 | R42 E46 E47 D48 | R42-T44 PolarHBondContact O-N 3.13Å; T44-E46 VanDerWaalsContact C-N 3.32Å; T44-E46 WeakPolarHBondContact CB-OE2 3.47Å; T44-E46 PolarHBondContact OG1-N 2.72Å; T44-E46 PolarHBondContact OG1-OE2 2.96Å; T44-E47 HydrophobicContact CG2-CG 4.48Å; T44-E47 PolarHBondContact N-OE2 3.49Å; T44-E47 WeakPolarHBondContact OG1-CG 3.45Å; T44-E47 PolarHBondContact OG1-N 3.46Å; T44-D48 PolarHBondContact O-N 3.34Å |
| 45 | R | 92.3 | Very high | 80.6 | Confident | 168 Ų | 168 | 93.8 Ų | 93.8 | 63% | 0.634 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -70.8 | -35.6 | 178.9 | 174 | -178.3 | 172.1 | -154.7 | -15.5 | 110.7 | D48 E49 | R45-D48 WeakPolarHBondContact O-CB 3.18Å; R45-D48 PolarHBondContact O-N 2.81Å; R45-E49 HydrophobicContact CG-CG 4.39Å; R45-E49 IonicContact CZ-OE1 3.37Å; R45-E49 IonicContact NE-OE1 3.14Å; R45-E49 PolarHBondContact NE-OE1 3.3Å; R45-E49 IonicContact NE-OE2 3.51Å; R45-E49 IonicContact NH2-OE1 2.76Å; R45-E49 PolarHBondContact NH2-OE1 3Å; R45-E49 IonicContact NH2-OE2 3.45Å; R45-E49 WeakPolarHBondContact O-CB 3.47Å; R45-E49 WeakPolarHBondContact O-CG 3.34Å; R45-E49 PolarHBondContact O-N 2.94Å |
| 46 | E | 92.1 | Very high | 82.4 | Confident | 122 Ų | 122 | 90.4 Ų | 90.4 | 57% | 0.57 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -71.6 | -38.1 | -177.2 | -49 | 68.3 | -140.7 | 0 | 0 | 110 | T44 K50 | T44-E46 VanDerWaalsContact C-N 3.32Å; T44-E46 WeakPolarHBondContact CB-OE2 3.47Å; T44-E46 PolarHBondContact OG1-N 2.72Å; T44-E46 PolarHBondContact OG1-OE2 2.96Å; E46-K50 WeakPolarHBondContact O-CB 3.29Å; E46-K50 PolarHBondContact O-N 3.24Å |
| 47 | E | 92.9 | Very high | 84.3 | Confident | 30 Ų | 30 | 87.7 Ų | 87.7 | 14% | 0.14 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64 | -40.2 | 168.8 | -69.7 | 179.7 | 122.2 | 0 | 0 | 112.5 | W43 T44 L51 L70 R73 | W43-E47 WeakPolarHBondContact CA-OE2 3.48Å; W43-E47 HydrophobicContact CE3-CB 3.76Å; W43-E47 HydrophobicContact CZ3-CB 4.06Å; T44-E47 HydrophobicContact CG2-CG 4.48Å; T44-E47 PolarHBondContact N-OE2 3.49Å; T44-E47 WeakPolarHBondContact OG1-CG 3.45Å; T44-E47 PolarHBondContact OG1-N 3.46Å; E47-L51 WeakPolarHBondContact O-CB 3.44Å; E47-L51 PolarHBondContact O-N 3.15Å; E47-L70 HydrophobicContact CB-CD2 4.44Å; E47-R73 IonicContact OE1-CZ 3.24Å; E47-R73 VanDerWaalsContact OE1-CZ 3.24Å; E47-R73 IonicContact OE1-NE 2.71Å; E47-R73 PolarHBondContact OE1-NE 3.11Å; E47-R73 IonicContact OE1-NH2 2.97Å; E47-R73 PolarHBondContact OE1-NH2 2.94Å; E47-R73 IonicContact OE2-CZ 3.56Å; E47-R73 IonicContact OE2-NE 3.64Å; E47-R73 IonicContact OE2-NH2 2.7Å; E47-R73 PolarHBondContact OE2-NH2 3.11Å |
| 48 | D | 93.9 | Very high | 86.2 | Confident | 27 Ų | 27 | 83.8 Ų | 83.8 | 14% | 0.144 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.4 | -43.5 | 177.4 | -79.5 | -19.6 | 0 | 0 | 0 | 112.1 | T44 R45 L51 K52 R81 L86 | T44-D48 PolarHBondContact O-N 3.34Å; R45-D48 WeakPolarHBondContact O-CB 3.18Å; R45-D48 PolarHBondContact O-N 2.81Å; D48-L51 PolarHBondContact O-N 3.48Å; D48-K52 WeakPolarHBondContact O-CB 3.3Å; D48-K52 PolarHBondContact O-N 3.31Å; D48-R81 VanDerWaalsContact CG-NH2 3.29Å; D48-R81 IonicContact OD1-CZ 3.38Å; D48-R81 VanDerWaalsContact OD1-CZ 3.3Å; D48-R81 IonicContact OD1-NE 3.09Å; D48-R81 PolarHBondContact OD1-NE 2.86Å; D48-R81 IonicContact OD1-NH2 3.3Å; D48-R81 PolarHBondContact OD1-NH2 3.43Å; D48-R81 VanDerWaalsContact OD1-NH2 3.09Å; D48-R81 IonicContact OD2-CZ 3.06Å; D48-R81 IonicContact OD2-NE 2.66Å; D48-R81 IonicContact OD2-NH2 3.6Å; D48-R81 PolarHBondContact OD2-NH2 2.91Å; D48-L86 HydrophobicContact CB-CD1 3.97Å; D48-L86 HydrophobicContact CB-CD2 3.86Å |
| 49 | E | 94.3 | Very high | 87.7 | Confident | 98 Ų | 98 | 83.4 Ų | 83.4 | 46% | 0.458 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.7 | -39.9 | 178 | -74.5 | 174.8 | 172.5 | 0 | 0 | 111.3 | R45 K52 K53 | R45-E49 HydrophobicContact CG-CG 4.39Å; R45-E49 IonicContact CZ-OE1 3.37Å; R45-E49 IonicContact NE-OE1 3.14Å; R45-E49 PolarHBondContact NE-OE1 3.3Å; R45-E49 IonicContact NE-OE2 3.51Å; R45-E49 IonicContact NH2-OE1 2.76Å; R45-E49 PolarHBondContact NH2-OE1 3Å; R45-E49 IonicContact NH2-OE2 3.45Å; R45-E49 WeakPolarHBondContact O-CB 3.47Å; R45-E49 WeakPolarHBondContact O-CG 3.34Å; R45-E49 PolarHBondContact O-N 2.94Å; E49-K52 PolarHBondContact O-N 2.97Å; E49-K53 PolarHBondContact O-N 2.94Å |
| 50 | K | 92.8 | Very high | 89.3 | Confident | 98 Ų | 98 | 83.9 Ų | 83.9 | 43% | 0.426 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | 172.2 | -167.3 | 176.9 | -166.9 | -176 | 0 | 111.6 | E46 K52 K53 L54 Y69 L70 | E46-K50 WeakPolarHBondContact O-CB 3.29Å; E46-K50 PolarHBondContact O-N 3.24Å; K50-K52 VanDerWaalsContact C-N 3.33Å; K50-K52 PolarHBondContact O-N 3.34Å; K50-K53 PolarHBondContact O-N 3.38Å; K50-L54 HydrophobicContact CG-CD1 4Å; K50-L54 HydrophobicContact CG-CG 4.49Å; K50-L54 WeakPolarHBondContact O-CB 3.38Å; K50-L54 WeakPolarHBondContact O-CD1 3.43Å; K50-L54 WeakPolarHBondContact O-CG 3.37Å; K50-L54 PolarHBondContact O-N 3.37Å; K50-Y69 VanDerWaalsContact CE-O 3.25Å; K50-Y69 WeakPolarHBondContact CE-O 3.23Å; K50-Y69 PolarHBondContact NZ-O 3.43Å; K50-L70 HydrophobicContact CB-CD2 4.22Å; K50-L70 HydrophobicContact CD-CD2 4.08Å; K50-L70 HydrophobicContact CG-CD2 4.28Å |
| 51 | L | 93.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 81.6 Ų | 81.6 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 174.6 | 178 | 56 | 0 | 0 | 0 | 111.7 | W43 E47 D48 L54 V55 W63 I66 L70 C78 R81 L86 | W43-L51 HydrophobicContact CH2-CD2 3.71Å; W43-L51 HydrophobicContact CZ3-CB 4.41Å; W43-L51 HydrophobicContact CZ3-CD2 3.69Å; E47-L51 WeakPolarHBondContact O-CB 3.44Å; E47-L51 PolarHBondContact O-N 3.15Å; D48-L51 PolarHBondContact O-N 3.48Å; L51-L54 PolarHBondContact O-N 3.19Å; L51-V55 HydrophobicContact CD1-CG2 4.05Å; L51-V55 WeakPolarHBondContact O-CG2 3.47Å; L51-V55 PolarHBondContact O-N 3.45Å; L51-W63 HydrophobicContact CD1-CZ3 4.31Å; L51-I66 HydrophobicContact CD1-CG2 3.52Å; L51-L70 HydrophobicContact CB-CD1 3.92Å; L51-L70 HydrophobicContact CD1-CD1 3.86Å; L51-L70 HydrophobicContact CG-CD1 4.37Å; L51-C78 HydrophobicContact CD1-CB 3.86Å; L51-C78 HydrophobicContact CD2-CB 4.42Å; L51-R81 HydrophobicContact CD2-CB 3.72Å; L51-R81 HydrophobicContact CD2-CG 3.71Å; L51-L86 HydrophobicContact CB-CD1 4.11Å; L51-L86 HydrophobicContact CD2-CD1 3.73Å; L51-L86 HydrophobicContact CG-CD1 3.98Å |
| 52 | K | 93.7 | Very high | 91 | Very high | 92 Ų | 92 | 82.5 Ų | 82.5 | 40% | 0.4 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.7 | -53 | 173 | -179.9 | -174.9 | 179.7 | -75.1 | 0 | 111 | D48 E49 K50 L54 V55 E56 W82 | D48-K52 WeakPolarHBondContact O-CB 3.3Å; D48-K52 PolarHBondContact O-N 3.31Å; E49-K52 PolarHBondContact O-N 2.97Å; K50-K52 VanDerWaalsContact C-N 3.33Å; K50-K52 PolarHBondContact O-N 3.34Å; K52-L54 VanDerWaalsContact C-N 3.27Å; K52-L54 PolarHBondContact O-N 3.44Å; K52-V55 PolarHBondContact O-N 3.47Å; K52-E56 VanDerWaalsContact NZ-CD 3.32Å; K52-E56 IonicContact NZ-OE1 2.7Å; K52-E56 PolarHBondContact NZ-OE1 3.14Å; K52-E56 VanDerWaalsContact NZ-OE1 3.16Å; K52-E56 IonicContact NZ-OE2 2.69Å; K52-E56 PolarHBondContact NZ-OE2 3.07Å; K52-E56 VanDerWaalsContact O-CB 3.26Å; K52-E56 WeakPolarHBondContact O-CB 3.21Å; K52-E56 PolarHBondContact O-N 3.2Å; K52-W82 HydrophobicContact CB-CZ3 4.23Å; K52-W82 HydrophobicContact CG-CZ3 4.19Å |
| 53 | K | 92.8 | Very high | 91.2 | Very high | 129 Ų | 129 | 73.7 Ų | 73.7 | 56% | 0.561 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -58.9 | -39.4 | -179.1 | -172.5 | 173.2 | -178.4 | 175.5 | 0 | 111.9 | E49 K50 E56 Q57 | E49-K53 PolarHBondContact O-N 2.94Å; K50-K53 PolarHBondContact O-N 3.38Å; K53-E56 PolarHBondContact O-N 3.31Å; K53-Q57 WeakPolarHBondContact O-CB 3.32Å; K53-Q57 VanDerWaalsContact O-CG 3.23Å; K53-Q57 WeakPolarHBondContact O-CG 3.25Å; K53-Q57 PolarHBondContact O-N 2.98Å |
| 54 | L | 92.4 | Very high | 91.2 | Very high | 12 Ų | 12 | 79.2 Ų | 79.2 | 6% | 0.063 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67.1 | -42.9 | 177 | -70.9 | 164.7 | 0 | 0 | 0 | 112.7 | K50 L51 K52 E56 Q57 N58 I66 Y69 L70 | K50-L54 HydrophobicContact CG-CD1 4Å; K50-L54 HydrophobicContact CG-CG 4.49Å; K50-L54 WeakPolarHBondContact O-CB 3.38Å; K50-L54 WeakPolarHBondContact O-CD1 3.43Å; K50-L54 WeakPolarHBondContact O-CG 3.37Å; K50-L54 PolarHBondContact O-N 3.37Å; L51-L54 PolarHBondContact O-N 3.19Å; K52-L54 VanDerWaalsContact C-N 3.27Å; K52-L54 PolarHBondContact O-N 3.44Å; L54-E56 VanDerWaalsContact C-N 3.3Å; L54-E56 PolarHBondContact O-N 3.01Å; L54-Q57 PolarHBondContact O-N 3.23Å; L54-N58 WeakPolarHBondContact O-CB 3.45Å; L54-N58 PolarHBondContact O-N 2.94Å; L54-N58 PolarHBondContact O-OD1 3.21Å; L54-I66 HydrophobicContact CB-CG1 4.33Å; L54-I66 HydrophobicContact CB-CG2 3.99Å; L54-I66 HydrophobicContact CD1-CG2 4.2Å; L54-Y69 HydrophobicContact CD1-CG 4.39Å; L54-Y69 HydrophobicContact CD2-CD2 3.56Å; L54-Y69 HydrophobicContact CD2-CE2 4.22Å; L54-Y69 HydrophobicContact CD2-CG 3.75Å; L54-L70 HydrophobicContact CD1-CD1 4.1Å; L54-L70 HydrophobicContact CD1-CG 4.08Å |
| 55 | V | 92.6 | Very high | 91.1 | Very high | 9 Ų | 9 | 79.1 Ų | 79.1 | 6% | 0.055 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68.8 | -32.2 | 175.5 | 176.8 | 0 | 0 | 0 | 0 | 111.6 | L51 K52 Q57 G59 T60 W63 I66 W82 | L51-V55 HydrophobicContact CD1-CG2 4.05Å; L51-V55 WeakPolarHBondContact O-CG2 3.47Å; L51-V55 PolarHBondContact O-N 3.45Å; K52-V55 PolarHBondContact O-N 3.47Å; V55-Q57 VanDerWaalsContact C-N 3.27Å; V55-Q57 PolarHBondContact O-N 3.39Å; V55-G59 VanDerWaalsContact O-CA 3.27Å; V55-G59 WeakPolarHBondContact O-CA 3.4Å; V55-G59 PolarHBondContact O-N 2.89Å; V55-T60 HydrophobicContact CG1-CG2 3.76Å; V55-W63 HydrophobicContact CG2-CH2 3.68Å; V55-W63 HydrophobicContact CG2-CZ3 3.63Å; V55-I66 HydrophobicContact CG2-CD1 3.84Å; V55-W82 HydrophobicContact CB-CD2 4.17Å; V55-W82 HydrophobicContact CB-CE3 4.1Å; V55-W82 HydrophobicContact CB-CH2 4.12Å; V55-W82 HydrophobicContact CB-CZ2 4.16Å; V55-W82 HydrophobicContact CB-CZ3 4.11Å; V55-W82 HydrophobicContact CG1-CD2 3.86Å; V55-W82 VanDerWaalsContact CG1-CE2 3.44Å; V55-W82 HydrophobicContact CG1-CE3 4.25Å; V55-W82 HydrophobicContact CG1-CG 4.46Å; V55-W82 HydrophobicContact CG1-CH2 3.9Å; V55-W82 HydrophobicContact CG1-CZ2 3.45Å; V55-W82 VanDerWaalsContact CG1-CZ2 3.45Å; V55-W82 HydrophobicContact CG1-CZ3 4.29Å; V55-W82 HydrophobicContact CG2-CD2 3.96Å; V55-W82 HydrophobicContact CG2-CE3 3.98Å; V55-W82 HydrophobicContact CG2-CG 4.28Å; V55-W82 HydrophobicContact CG2-CZ3 4.46Å |
| 56 | E | 91.3 | Very high | 91.1 | Very high | 134 Ų | 134 | 71.1 Ų | 71.1 | 63% | 0.626 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -70.5 | -21.8 | 174.7 | -167 | 161.1 | -145.2 | 0 | 0 | 112.6 | K52 K53 L54 | K52-E56 VanDerWaalsContact NZ-CD 3.32Å; K52-E56 IonicContact NZ-OE1 2.7Å; K52-E56 PolarHBondContact NZ-OE1 3.14Å; K52-E56 VanDerWaalsContact NZ-OE1 3.16Å; K52-E56 IonicContact NZ-OE2 2.69Å; K52-E56 PolarHBondContact NZ-OE2 3.07Å; K52-E56 VanDerWaalsContact O-CB 3.26Å; K52-E56 WeakPolarHBondContact O-CB 3.21Å; K52-E56 PolarHBondContact O-N 3.2Å; K53-E56 PolarHBondContact O-N 3.31Å; L54-E56 VanDerWaalsContact C-N 3.3Å; L54-E56 PolarHBondContact O-N 3.01Å |
| 57 | Q | 89.3 | Confident | 91.1 | Very high | 130 Ų | 130 | 66 Ų | 66 | 61% | 0.607 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -99.2 | -35.2 | 177.4 | -73.2 | 177.8 | -33.1 | 0 | 0 | 114.3 | K53 L54 V55 | K53-Q57 WeakPolarHBondContact O-CB 3.32Å; K53-Q57 VanDerWaalsContact O-CG 3.23Å; K53-Q57 WeakPolarHBondContact O-CG 3.25Å; K53-Q57 PolarHBondContact O-N 2.98Å; L54-Q57 PolarHBondContact O-N 3.23Å; V55-Q57 VanDerWaalsContact C-N 3.27Å; V55-Q57 PolarHBondContact O-N 3.39Å |
| 58 | N | 87.2 | Confident | 91 | Very high | 66 Ų | 66 | 71.1 Ų | 71.1 | 35% | 0.353 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -111.9 | -0.9 | -173.1 | -66.8 | 98.3 | 0 | 0 | 0 | 114.1 | L54 I66 | L54-N58 WeakPolarHBondContact O-CB 3.45Å; L54-N58 PolarHBondContact O-N 2.94Å; L54-N58 PolarHBondContact O-OD1 3.21Å; N58-I66 HydrophobicContact CB-CD1 4.43Å; N58-I66 HydrophobicContact CB-CG1 4.21Å |
| 59 | G | 87.6 | Confident | 90.8 | Very high | 30 Ų | 30 | 75.7 Ų | 75.7 | 31% | 0.309 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | -165.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V55 | V55-G59 VanDerWaalsContact O-CA 3.27Å; V55-G59 WeakPolarHBondContact O-CA 3.4Å; V55-G59 PolarHBondContact O-N 2.89Å |
| 60 | T | 86.9 | Confident | 90.5 | Very high | 67 Ų | 67 | 71.2 Ų | 71.2 | 41% | 0.411 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 15.9 | -173 | 48 | 0 | 0 | 0 | 0 | 114.2 | V55 W63 | V55-T60 HydrophobicContact CG1-CG2 3.76Å; T60-W63 HydrophobicContact CG2-CZ2 4.32Å; T60-W63 WeakPolarHBondContact O-CZ2 3.44Å; T60-W63 PolarHBondContact O-NE1 2.96Å |
| 61 | D | 84.8 | Confident | 90 | Very high | 126 Ų | 126 | 71 Ų | 71 | 67% | 0.674 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.8 | -50.3 | -159.7 | -47.7 | -33 | 0 | 0 | 0 | 110 | W63 | D61-W63 PolarHBondContact O-N 2.86Å; D61-W63 VanDerWaalsContact O-N 3.07Å |
| 62 | D | 89.3 | Confident | 89.7 | Confident | 100 Ų | 100 | 75 Ų | 75 | 54% | 0.535 | 38% | 0.383 | S | S | . | . | trans | -86.5 | 60.8 | 179.1 | -85.8 | -50.4 | 0 | 0 | 0 | 114.6 | K64 V65 I66 | D62-K64 PolarHBondContact O-N 3.18Å; D62-V65 HydrophobicContact CB-CB 4.08Å; D62-V65 HydrophobicContact CB-CG2 3.91Å; D62-V65 WeakPolarHBondContact O-CB 3.24Å; D62-V65 PolarHBondContact O-N 3.34Å; D62-I66 PolarHBondContact O-N 3.34Å | ||
| 63 | W | 92.3 | Very high | 89.4 | Confident | 25 Ų | 25 | 71.5 Ų | 71.5 | 10% | 0.095 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -55.1 | -26.2 | 177.1 | -64.4 | 100.3 | 0 | 0 | 0 | 114.6 | L51 V55 T60 D61 I66 A67 D75 C78 Q79 W82 | L51-W63 HydrophobicContact CD1-CZ3 4.31Å; V55-W63 HydrophobicContact CG2-CH2 3.68Å; V55-W63 HydrophobicContact CG2-CZ3 3.63Å; T60-W63 HydrophobicContact CG2-CZ2 4.32Å; T60-W63 WeakPolarHBondContact O-CZ2 3.44Å; T60-W63 PolarHBondContact O-NE1 2.96Å; D61-W63 PolarHBondContact O-N 2.86Å; D61-W63 VanDerWaalsContact O-N 3.07Å; W63-I66 HydrophobicContact CE3-CD1 3.98Å; W63-I66 HydrophobicContact CZ3-CD1 4.02Å; W63-A67 WeakPolarHBondContact O-CB 3.38Å; W63-A67 PolarHBondContact O-N 3.03Å; W63-D75 HydrophobicContact CB-CB 3.9Å; W63-D75 WeakPolarHBondContact O-CB 3.34Å; W63-C78 HydrophobicContact CE3-CB 4Å; W63-C78 HydrophobicContact CZ3-CB 4.41Å; W63-Q79 VanDerWaalsContact CD1-NE2 3.28Å; W63-Q79 HydrophobicContact CD2-CB 3.54Å; W63-Q79 HydrophobicContact CD2-CG 4.01Å; W63-Q79 HydrophobicContact CE3-CB 3.94Å; W63-Q79 HydrophobicContact CG-CB 3.85Å; W63-Q79 HydrophobicContact CG-CG 4.28Å; W63-Q79 HydrophobicContact CZ2-CB 4.34Å; W63-Q79 HydrophobicContact CZ2-CG 4.15Å; W63-Q79 HydrophobicContact CZ3-CB 4.5Å; W63-W82 HydrophobicContact CH2-CB 3.51Å; W63-W82 AromaticContact CH2-CD1 3.63Å; W63-W82 AromaticContact CH2-CG 3.62Å; W63-W82 HydrophobicContact CH2-CG 3.62Å; W63-W82 HydrophobicContact CZ2-CB 4.47Å; W63-W82 HydrophobicContact CZ2-CG 4.5Å; W63-W82 HydrophobicContact CZ3-CB 3.93Å; W63-W82 HydrophobicContact CZ3-CG 4.4Å |
| 64 | K | 92.2 | Very high | 89.4 | Confident | 151 Ų | 151 | 67.5 Ų | 67.5 | 66% | 0.657 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -67.9 | -41.1 | 175.3 | -66.1 | 172.6 | -176.4 | 167.2 | 0 | 112 | D62 A67 N68 D75 | D62-K64 PolarHBondContact O-N 3.18Å; K64-A67 PolarHBondContact O-N 3.28Å; K64-N68 PolarHBondContact O-N 2.83Å; K64-N68 PolarHBondContact O-ND2 2.71Å; K64-D75 HydrophobicContact CG-CB 4.29Å |
| 65 | V | 90.3 | Very high | 89.4 | Confident | 47 Ų | 47 | 69.5 Ų | 69.5 | 29% | 0.285 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.6 | -47.6 | 175.3 | 175.6 | 0 | 0 | 0 | 0 | 109.4 | D62 A67 N68 Y69 | D62-V65 HydrophobicContact CB-CB 4.08Å; D62-V65 HydrophobicContact CB-CG2 3.91Å; D62-V65 WeakPolarHBondContact O-CB 3.24Å; D62-V65 PolarHBondContact O-N 3.34Å; V65-A67 VanDerWaalsContact C-N 3.29Å; V65-A67 PolarHBondContact O-N 3.12Å; V65-N68 WeakPolarHBondContact O-CB 3.35Å; V65-N68 PolarHBondContact O-N 2.75Å; V65-N68 VanDerWaalsContact O-N 3.15Å; V65-Y69 HydrophobicContact CG1-CE2 3.89Å; V65-Y69 WeakPolarHBondContact O-CD2 3.4Å |
| 66 | I | 91.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.1 | -39.9 | 177.7 | -63.7 | 173.3 | 0 | 0 | 0 | 111.8 | L51 L54 V55 N58 D62 W63 N68 Y69 L70 C78 | L51-I66 HydrophobicContact CD1-CG2 3.52Å; L54-I66 HydrophobicContact CB-CG1 4.33Å; L54-I66 HydrophobicContact CB-CG2 3.99Å; L54-I66 HydrophobicContact CD1-CG2 4.2Å; V55-I66 HydrophobicContact CG2-CD1 3.84Å; N58-I66 HydrophobicContact CB-CD1 4.43Å; N58-I66 HydrophobicContact CB-CG1 4.21Å; D62-I66 PolarHBondContact O-N 3.34Å; W63-I66 HydrophobicContact CE3-CD1 3.98Å; W63-I66 HydrophobicContact CZ3-CD1 4.02Å; I66-N68 PolarHBondContact O-N 3.17Å; I66-Y69 PolarHBondContact O-N 3.05Å; I66-L70 HydrophobicContact CG2-CD1 4.29Å; I66-C78 HydrophobicContact CG2-CB 4.35Å |
| 67 | A | 92.3 | Very high | 89.4 | Confident | 14 Ų | 14 | 68.3 Ų | 68.3 | 12% | 0.116 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.8 | -33.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | W63 K64 V65 Y69 L70 D75 | W63-A67 WeakPolarHBondContact O-CB 3.38Å; W63-A67 PolarHBondContact O-N 3.03Å; K64-A67 PolarHBondContact O-N 3.28Å; V65-A67 VanDerWaalsContact C-N 3.29Å; V65-A67 PolarHBondContact O-N 3.12Å; A67-Y69 PolarHBondContact O-N 2.7Å; A67-L70 CarbonylContact O-C 3.53Å; A67-L70 PolarHBondContact O-N 2.97Å; A67-D75 HydrophobicContact CB-CB 4.18Å |
| 68 | N | 91.5 | Very high | 89.6 | Confident | 138 Ų | 138 | 62.1 Ų | 62.1 | 74% | 0.738 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -60.7 | -31 | 178.3 | -68.5 | -24.3 | 0 | 0 | 0 | 112.4 | K64 V65 I66 | K64-N68 PolarHBondContact O-N 2.83Å; K64-N68 PolarHBondContact O-ND2 2.71Å; V65-N68 WeakPolarHBondContact O-CB 3.35Å; V65-N68 PolarHBondContact O-N 2.75Å; V65-N68 VanDerWaalsContact O-N 3.15Å; I66-N68 PolarHBondContact O-N 3.17Å |
| 69 | Y | 88.7 | Confident | 89.8 | Confident | 123 Ų | 123 | 62.4 Ų | 62.4 | 48% | 0.482 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -8 | 176.8 | -61.1 | -76.6 | 0 | 0 | 0 | 114 | K50 L54 V65 I66 A67 P71 | K50-Y69 VanDerWaalsContact CE-O 3.25Å; K50-Y69 WeakPolarHBondContact CE-O 3.23Å; K50-Y69 PolarHBondContact NZ-O 3.43Å; L54-Y69 HydrophobicContact CD1-CG 4.39Å; L54-Y69 HydrophobicContact CD2-CD2 3.56Å; L54-Y69 HydrophobicContact CD2-CE2 4.22Å; L54-Y69 HydrophobicContact CD2-CG 3.75Å; V65-Y69 HydrophobicContact CG1-CE2 3.89Å; V65-Y69 WeakPolarHBondContact O-CD2 3.4Å; I66-Y69 PolarHBondContact O-N 3.05Å; A67-Y69 PolarHBondContact O-N 2.7Å; Y69-P71 VanDerWaalsContact O-CD 3.3Å; Y69-P71 WeakPolarHBondContact O-CD 3.43Å |
| 70 | L | 89.4 | Confident | 90.1 | Very high | 5 Ų | 5 | 64.8 Ų | 64.8 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -116.1 | 78.5 | -178.3 | -75.3 | 163.8 | 0 | 0 | 0 | 110.2 | E47 K50 L51 L54 I66 A67 N72 R73 C78 | E47-L70 HydrophobicContact CB-CD2 4.44Å; K50-L70 HydrophobicContact CB-CD2 4.22Å; K50-L70 HydrophobicContact CD-CD2 4.08Å; K50-L70 HydrophobicContact CG-CD2 4.28Å; L51-L70 HydrophobicContact CB-CD1 3.92Å; L51-L70 HydrophobicContact CD1-CD1 3.86Å; L51-L70 HydrophobicContact CG-CD1 4.37Å; L54-L70 HydrophobicContact CD1-CD1 4.1Å; L54-L70 HydrophobicContact CD1-CG 4.08Å; I66-L70 HydrophobicContact CG2-CD1 4.29Å; A67-L70 CarbonylContact O-C 3.53Å; A67-L70 PolarHBondContact O-N 2.97Å; L70-N72 PolarHBondContact O-N 3Å; L70-R73 HydrophobicContact CB-CB 3.97Å; L70-R73 HydrophobicContact CB-CG 4.11Å; L70-R73 PolarHBondContact O-N 3.11Å; L70-C78 VanDerWaalsContact CD1-SG 3.58Å |
| 71 | P | 82 | Confident | 90.3 | Very high | 93 Ų | 93 | 64.2 Ų | 64.2 | 60% | 0.604 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 131.7 | -178.5 | 24.6 | -34.3 | 0 | 0 | 0 | 110.8 | Y69 | Y69-P71 VanDerWaalsContact O-CD 3.3Å; Y69-P71 WeakPolarHBondContact O-CD 3.43Å |
| 72 | N | 86.1 | Confident | 90.7 | Very high | 84 Ų | 84 | 59.4 Ų | 59.4 | 45% | 0.449 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 10 | -172.3 | -45.1 | -74.9 | 0 | 0 | 0 | 116.7 | L38 L70 | L38-N72 HydrophobicContact CD1-CB 4.08Å; L70-N72 PolarHBondContact O-N 3Å |
| 73 | R | 88.7 | Confident | 90.7 | Very high | 18 Ų | 18 | 59.8 Ų | 59.8 | 7% | 0.068 | 30% | 0.298 | C | S | . | . | trans | -110.3 | 154.1 | 165.2 | -56 | -59.7 | 174.9 | -176.6 | -1.2 | 111.5 | T41 R42 W43 E47 L70 | T41-R73 PolarHBondContact O-NH1 3.07Å; T41-R73 PolarHBondContact O-NH2 3.33Å; T41-R73 VanDerWaalsContact O-NH2 3.09Å; R42-R73 PolarHBondContact O-NH2 3.16Å; R42-R73 VanDerWaalsContact O-NH2 3.12Å; W43-R73 HydrophobicContact CH2-CB 4.29Å; W43-R73 HydrophobicContact CH2-CG 3.77Å; W43-R73 HydrophobicContact CZ2-CG 4.14Å; W43-R73 HydrophobicContact CZ3-CG 4.21Å; E47-R73 IonicContact OE1-CZ 3.24Å; E47-R73 VanDerWaalsContact OE1-CZ 3.24Å; E47-R73 IonicContact OE1-NE 2.71Å; E47-R73 PolarHBondContact OE1-NE 3.11Å; E47-R73 IonicContact OE1-NH2 2.97Å; E47-R73 PolarHBondContact OE1-NH2 2.94Å; E47-R73 IonicContact OE2-CZ 3.56Å; E47-R73 IonicContact OE2-NE 3.64Å; E47-R73 IonicContact OE2-NH2 2.7Å; E47-R73 PolarHBondContact OE2-NH2 3.11Å; L70-R73 HydrophobicContact CB-CB 3.97Å; L70-R73 HydrophobicContact CB-CG 4.11Å; L70-R73 PolarHBondContact O-N 3.11Å | ||
| 74 | T | 92.7 | Very high | 90.5 | Very high | 46 Ų | 46 | 63.2 Ų | 63.2 | 28% | 0.282 | 31% | 0.313 | S | S | . | . | trans | -104.1 | 157.3 | 169.3 | 74.1 | 0 | 0 | 0 | 0 | 110.5 | L38 V76 Q77 C78 | L38-T74 HydrophobicContact CD2-CG2 4.01Å; T74-V76 VanDerWaalsContact C-N 3.29Å; T74-V76 PolarHBondContact O-N 3.45Å; T74-Q77 CarbonylContact O-C 3.6Å; T74-Q77 WeakPolarHBondContact O-CA 3.32Å; T74-Q77 WeakPolarHBondContact O-CB 3.37Å; T74-Q77 PolarHBondContact O-N 3.44Å; T74-Q77 WeakPolarHBondContact OG1-CG 3.27Å; T74-Q77 PolarHBondContact OG1-N 3.4Å; T74-C78 PolarHBondContact O-N 2.96Å; T74-C78 PolarHBondContact O-SG 2.68Å; T74-C78 VanDerWaalsContact O-SG 3.34Å | ||
| 75 | D | 92.3 | Very high | 90.2 | Very high | 53 Ų | 53 | 58.7 Ų | 58.7 | 28% | 0.283 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -44.9 | -50.5 | 170.3 | 58.1 | -18.3 | 0 | 0 | 0 | 112.9 | W63 K64 A67 Q77 C78 Q79 | W63-D75 HydrophobicContact CB-CB 3.9Å; W63-D75 WeakPolarHBondContact O-CB 3.34Å; K64-D75 HydrophobicContact CG-CB 4.29Å; A67-D75 HydrophobicContact CB-CB 4.18Å; D75-Q77 VanDerWaalsContact C-N 3.32Å; D75-Q77 PolarHBondContact O-N 2.9Å; D75-C78 PolarHBondContact O-N 3.09Å; D75-Q79 WeakPolarHBondContact O-CB 3.16Å; D75-Q79 PolarHBondContact O-N 2.87Å |
| 76 | V | 91.8 | Very high | 90.1 | Very high | 73 Ų | 73 | 57.8 Ų | 57.8 | 44% | 0.442 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.3 | -31.8 | 177.4 | 178.7 | 0 | 0 | 0 | 0 | 112.3 | T74 H80 | T74-V76 VanDerWaalsContact C-N 3.29Å; T74-V76 PolarHBondContact O-N 3.45Å; V76-H80 VanDerWaalsContact O-CB 3.23Å; V76-H80 WeakPolarHBondContact O-CB 3.43Å; V76-H80 PolarHBondContact O-N 3.15Å; V76-H80 VanDerWaalsContact O-N 3.11Å; V76-H80 PolarHBondContact O-ND1 2.8Å; V76-H80 VanDerWaalsContact O-ND1 3.16Å |
| 77 | Q | 91.9 | Very high | 89.9 | Confident | 46 Ų | 46 | 58.9 Ų | 58.9 | 22% | 0.215 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.8 | -42.9 | 173 | -70.4 | 175.1 | 6 | 0 | 0 | 111.3 | L38 W43 T74 D75 H80 R81 | L38-Q77 PolarHBondContact O-NE2 2.87Å; W43-Q77 HydrophobicContact CZ2-CB 4.2Å; T74-Q77 CarbonylContact O-C 3.6Å; T74-Q77 WeakPolarHBondContact O-CA 3.32Å; T74-Q77 WeakPolarHBondContact O-CB 3.37Å; T74-Q77 PolarHBondContact O-N 3.44Å; T74-Q77 WeakPolarHBondContact OG1-CG 3.27Å; T74-Q77 PolarHBondContact OG1-N 3.4Å; D75-Q77 VanDerWaalsContact C-N 3.32Å; D75-Q77 PolarHBondContact O-N 2.9Å; Q77-H80 PolarHBondContact O-N 3.39Å; Q77-R81 WeakPolarHBondContact O-CB 3.39Å; Q77-R81 PolarHBondContact O-N 3.24Å |
| 78 | C | 92.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.3 | -49.9 | 177.1 | -65.1 | 0 | 0 | 0 | 0 | 111.3 | L51 W63 I66 L70 T74 D75 H80 R81 W82 | L51-C78 HydrophobicContact CD1-CB 3.86Å; L51-C78 HydrophobicContact CD2-CB 4.42Å; W63-C78 HydrophobicContact CE3-CB 4Å; W63-C78 HydrophobicContact CZ3-CB 4.41Å; I66-C78 HydrophobicContact CG2-CB 4.35Å; L70-C78 VanDerWaalsContact CD1-SG 3.58Å; T74-C78 PolarHBondContact O-N 2.96Å; T74-C78 PolarHBondContact O-SG 2.68Å; T74-C78 VanDerWaalsContact O-SG 3.34Å; D75-C78 PolarHBondContact O-N 3.09Å; C78-H80 PolarHBondContact O-N 3.33Å; C78-R81 PolarHBondContact O-N 3.02Å; C78-R81 VanDerWaalsContact O-N 3.15Å; C78-W82 PolarHBondContact O-N 3.02Å |
| 79 | Q | 92.4 | Very high | 89.1 | Confident | 72 Ų | 72 | 63.5 Ų | 63.5 | 34% | 0.336 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -56.2 | -48.2 | 175.1 | -175.6 | -175.5 | 79.2 | 0 | 0 | 111.7 | W63 D75 R81 W82 Q83 | W63-Q79 VanDerWaalsContact CD1-NE2 3.28Å; W63-Q79 HydrophobicContact CD2-CB 3.54Å; W63-Q79 HydrophobicContact CD2-CG 4.01Å; W63-Q79 HydrophobicContact CE3-CB 3.94Å; W63-Q79 HydrophobicContact CG-CB 3.85Å; W63-Q79 HydrophobicContact CG-CG 4.28Å; W63-Q79 HydrophobicContact CZ2-CB 4.34Å; W63-Q79 HydrophobicContact CZ2-CG 4.15Å; W63-Q79 HydrophobicContact CZ3-CB 4.5Å; D75-Q79 WeakPolarHBondContact O-CB 3.16Å; D75-Q79 PolarHBondContact O-N 2.87Å; Q79-R81 VanDerWaalsContact C-N 3.34Å; Q79-R81 PolarHBondContact O-N 3.49Å; Q79-W82 PolarHBondContact O-N 3.22Å; Q79-Q83 VanDerWaalsContact O-CB 3.28Å; Q79-Q83 WeakPolarHBondContact O-CB 3.18Å; Q79-Q83 PolarHBondContact O-N 3.48Å |
| 80 | H | 91.9 | Very high | 88.9 | Confident | 79 Ų | 79 | 58.8 Ų | 58.8 | 37% | 0.366 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.9 | -35.2 | 177.6 | -78.5 | 157.9 | 0 | 0 | 0 | 113.5 | V76 Q77 C78 K84 | V76-H80 VanDerWaalsContact O-CB 3.23Å; V76-H80 WeakPolarHBondContact O-CB 3.43Å; V76-H80 PolarHBondContact O-N 3.15Å; V76-H80 VanDerWaalsContact O-N 3.11Å; V76-H80 PolarHBondContact O-ND1 2.8Å; V76-H80 VanDerWaalsContact O-ND1 3.16Å; Q77-H80 PolarHBondContact O-N 3.39Å; C78-H80 PolarHBondContact O-N 3.33Å; H80-K84 HydrophobicContact CB-CD 4.46Å; H80-K84 PolarHBondContact CD2-NZ 2.92Å; H80-K84 PolarHBondContact NE2-NZ 3.46Å; H80-K84 VanDerWaalsContact O-CB 3.22Å; H80-K84 WeakPolarHBondContact O-CB 3.22Å; H80-K84 WeakPolarHBondContact O-CG 3.23Å; H80-K84 PolarHBondContact O-N 3.31Å |
| 81 | R | 92.3 | Very high | 88.8 | Confident | 56 Ų | 56 | 61.9 Ų | 61.9 | 21% | 0.211 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.4 | -43.1 | 176.3 | -175.3 | 64.5 | 173.8 | -178.1 | -0.7 | 111 | W43 D48 L51 Q77 C78 Q79 V85 L86 | W43-R81 VanDerWaalsContact CB-CZ 3.45Å; W43-R81 HydrophobicContact CD2-CB 4.27Å; W43-R81 HydrophobicContact CD2-CG 3.65Å; W43-R81 HydrophobicContact CE3-CG 3.81Å; W43-R81 HydrophobicContact CG-CG 4.23Å; W43-R81 HydrophobicContact CH2-CB 3.95Å; W43-R81 HydrophobicContact CH2-CG 4.06Å; W43-R81 HydrophobicContact CZ2-CB 3.57Å; W43-R81 HydrophobicContact CZ2-CG 3.87Å; W43-R81 HydrophobicContact CZ3-CB 4.42Å; W43-R81 HydrophobicContact CZ3-CG 4.02Å; D48-R81 VanDerWaalsContact CG-NH2 3.29Å; D48-R81 IonicContact OD1-CZ 3.38Å; D48-R81 VanDerWaalsContact OD1-CZ 3.3Å; D48-R81 IonicContact OD1-NE 3.09Å; D48-R81 PolarHBondContact OD1-NE 2.86Å; D48-R81 IonicContact OD1-NH2 3.3Å; D48-R81 PolarHBondContact OD1-NH2 3.43Å; D48-R81 VanDerWaalsContact OD1-NH2 3.09Å; D48-R81 IonicContact OD2-CZ 3.06Å; D48-R81 IonicContact OD2-NE 2.66Å; D48-R81 IonicContact OD2-NH2 3.6Å; D48-R81 PolarHBondContact OD2-NH2 2.91Å; L51-R81 HydrophobicContact CD2-CB 3.72Å; L51-R81 HydrophobicContact CD2-CG 3.71Å; Q77-R81 WeakPolarHBondContact O-CB 3.39Å; Q77-R81 PolarHBondContact O-N 3.24Å; C78-R81 PolarHBondContact O-N 3.02Å; C78-R81 VanDerWaalsContact O-N 3.15Å; Q79-R81 VanDerWaalsContact C-N 3.34Å; Q79-R81 PolarHBondContact O-N 3.49Å; R81-V85 WeakPolarHBondContact O-CA 3.34Å; R81-V85 VanDerWaalsContact O-CB 3.31Å; R81-V85 WeakPolarHBondContact O-CB 2.99Å; R81-V85 PolarHBondContact O-N 3.36Å; R81-L86 HydrophobicContact CG-CD1 3.92Å; R81-L86 HydrophobicContact CG-CG 4.19Å; R81-L86 PolarHBondContact O-N 2.84Å; R81-L86 VanDerWaalsContact O-N 3.12Å |
| 82 | W | 91.9 | Very high | 88.9 | Confident | 24 Ų | 24 | 64.3 Ų | 64.3 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | I | π-helix | trans | -59.1 | -63.8 | 173.3 | -174.8 | -109.5 | 0 | 0 | 0 | 111.5 | K52 V55 W63 C78 Q79 K84 V85 L86 N87 P88 | K52-W82 HydrophobicContact CB-CZ3 4.23Å; K52-W82 HydrophobicContact CG-CZ3 4.19Å; V55-W82 HydrophobicContact CB-CD2 4.17Å; V55-W82 HydrophobicContact CB-CE3 4.1Å; V55-W82 HydrophobicContact CB-CH2 4.12Å; V55-W82 HydrophobicContact CB-CZ2 4.16Å; V55-W82 HydrophobicContact CB-CZ3 4.11Å; V55-W82 HydrophobicContact CG1-CD2 3.86Å; V55-W82 VanDerWaalsContact CG1-CE2 3.44Å; V55-W82 HydrophobicContact CG1-CE3 4.25Å; V55-W82 HydrophobicContact CG1-CG 4.46Å; V55-W82 HydrophobicContact CG1-CH2 3.9Å; V55-W82 HydrophobicContact CG1-CZ2 3.45Å; V55-W82 VanDerWaalsContact CG1-CZ2 3.45Å; V55-W82 HydrophobicContact CG1-CZ3 4.29Å; V55-W82 HydrophobicContact CG2-CD2 3.96Å; V55-W82 HydrophobicContact CG2-CE3 3.98Å; V55-W82 HydrophobicContact CG2-CG 4.28Å; V55-W82 HydrophobicContact CG2-CZ3 4.46Å; W63-W82 HydrophobicContact CH2-CB 3.51Å; W63-W82 AromaticContact CH2-CD1 3.63Å; W63-W82 AromaticContact CH2-CG 3.62Å; W63-W82 HydrophobicContact CH2-CG 3.62Å; W63-W82 HydrophobicContact CZ2-CB 4.47Å; W63-W82 HydrophobicContact CZ2-CG 4.5Å; W63-W82 HydrophobicContact CZ3-CB 3.93Å; W63-W82 HydrophobicContact CZ3-CG 4.4Å; C78-W82 PolarHBondContact O-N 3.02Å; Q79-W82 PolarHBondContact O-N 3.22Å; W82-K84 PolarHBondContact O-N 2.58Å; W82-K84 VanDerWaalsContact O-N 3.09Å; W82-V85 PolarHBondContact O-N 3.23Å; W82-L86 HydrophobicContact CD2-CB 4.46Å; W82-L86 HydrophobicContact CE3-CB 3.56Å; W82-L86 HydrophobicContact CZ3-CB 3.91Å; W82-L86 PolarHBondContact O-N 3.2Å; W82-L86 VanDerWaalsContact O-N 3.08Å; W82-N87 HydrophobicContact CD2-CB 4.23Å; W82-N87 HydrophobicContact CG-CB 4.37Å; W82-N87 HydrophobicContact CZ2-CB 4.32Å; W82-N87 WeakPolarHBondContact O-CB 3.49Å; W82-N87 PolarHBondContact O-N 3.19Å; W82-P88 VanDerWaalsContact CH2-CD 3.5Å; W82-P88 VanDerWaalsContact CZ2-CD 3.43Å; W82-P88 HydrophobicContact CZ2-CG 4.48Å |
| 83 | Q | 89.7 | Confident | 89 | Confident | 108 Ų | 108 | 62 Ų | 62 | 51% | 0.505 | 32% | 0.318 | S | S | . | . | I | π-helix | trans | -59.3 | -28.2 | -173 | -169.6 | -168.7 | 58.6 | 0 | 0 | 113.8 | Q79 | Q79-Q83 VanDerWaalsContact O-CB 3.28Å; Q79-Q83 WeakPolarHBondContact O-CB 3.18Å; Q79-Q83 PolarHBondContact O-N 3.48Å |
| 84 | K | 88.2 | Confident | 89.1 | Confident | 98 Ų | 98 | 66.8 Ų | 66.8 | 43% | 0.426 | 35% | 0.351 | S | S | . | . | I | π-helix | trans | -110.3 | -10 | -172.5 | -56.6 | 168.3 | -173.9 | 169.5 | 0 | 114.1 | H80 W82 I126 | H80-K84 HydrophobicContact CB-CD 4.46Å; H80-K84 PolarHBondContact CD2-NZ 2.92Å; H80-K84 PolarHBondContact NE2-NZ 3.46Å; H80-K84 VanDerWaalsContact O-CB 3.22Å; H80-K84 WeakPolarHBondContact O-CB 3.22Å; H80-K84 WeakPolarHBondContact O-CG 3.23Å; H80-K84 PolarHBondContact O-N 3.31Å; W82-K84 PolarHBondContact O-N 2.58Å; W82-K84 VanDerWaalsContact O-N 3.09Å; K84-I126 HydrophobicContact CB-CD1 4.5Å; K84-I126 VanDerWaalsContact O-CD1 3.29Å; K84-I126 WeakPolarHBondContact O-CD1 3.44Å |
| 85 | V | 86.5 | Confident | 89.2 | Confident | 55 Ų | 55 | 67 Ų | 67 | 33% | 0.333 | 35% | 0.347 | S | S | . | . | I | π-helix | trans | -142.5 | -43.7 | -174.1 | -167.5 | 0 | 0 | 0 | 0 | 113.9 | R81 W82 K92 | R81-V85 WeakPolarHBondContact O-CA 3.34Å; R81-V85 VanDerWaalsContact O-CB 3.31Å; R81-V85 WeakPolarHBondContact O-CB 2.99Å; R81-V85 PolarHBondContact O-N 3.36Å; W82-V85 PolarHBondContact O-N 3.23Å; V85-K92 WeakPolarHBondContact O-CE 3.31Å; V85-K92 PolarHBondContact O-NZ 3.09Å |
| 86 | L | 88.3 | Confident | 89.3 | Confident | 29 Ų | 29 | 67.5 Ų | 67.5 | 15% | 0.152 | 35% | 0.351 | C | S | . | . | I | π-helix | trans | -101.3 | -28.4 | -168.3 | -58 | 179.2 | 0 | 0 | 0 | 115.5 | D48 L51 R81 W82 | D48-L86 HydrophobicContact CB-CD1 3.97Å; D48-L86 HydrophobicContact CB-CD2 3.86Å; L51-L86 HydrophobicContact CB-CD1 4.11Å; L51-L86 HydrophobicContact CD2-CD1 3.73Å; L51-L86 HydrophobicContact CG-CD1 3.98Å; R81-L86 HydrophobicContact CG-CD1 3.92Å; R81-L86 HydrophobicContact CG-CG 4.19Å; R81-L86 PolarHBondContact O-N 2.84Å; R81-L86 VanDerWaalsContact O-N 3.12Å; W82-L86 HydrophobicContact CD2-CB 4.46Å; W82-L86 HydrophobicContact CE3-CB 3.56Å; W82-L86 HydrophobicContact CZ3-CB 3.91Å; W82-L86 PolarHBondContact O-N 3.2Å; W82-L86 VanDerWaalsContact O-N 3.08Å |
| 87 | N | 85.8 | Confident | 89.4 | Confident | 23 Ų | 23 | 72.1 Ų | 72.1 | 12% | 0.123 | 37% | 0.366 | C | S | . | . | trans | -48.5 | 123.4 | -178.8 | 175.8 | -0.7 | 0 | 0 | 0 | 110.8 | W82 E89 L90 | W82-N87 HydrophobicContact CD2-CB 4.23Å; W82-N87 HydrophobicContact CG-CB 4.37Å; W82-N87 HydrophobicContact CZ2-CB 4.32Å; W82-N87 WeakPolarHBondContact O-CB 3.49Å; W82-N87 PolarHBondContact O-N 3.19Å; N87-E89 PolarHBondContact ND2-OE2 3.24Å; N87-E89 PolarHBondContact O-N 3.41Å; N87-E89 WeakPolarHBondContact OD1-CB 3.37Å; N87-E89 WeakPolarHBondContact OD1-CG 3.22Å; N87-E89 PolarHBondContact OD1-N 3.32Å; N87-L90 HydrophobicContact CB-CD1 4.08Å; N87-L90 HydrophobicContact CB-CG 4.06Å; N87-L90 VanDerWaalsContact O-CB 3.28Å; N87-L90 WeakPolarHBondContact O-CB 3.48Å; N87-L90 WeakPolarHBondContact O-CG 3.28Å; N87-L90 PolarHBondContact O-N 3.33Å | ||
| 88 | P | 84.2 | Confident | 89.5 | Confident | 104 Ų | 104 | 75.6 Ų | 75.6 | 68% | 0.675 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -19.7 | -178.4 | 26.4 | -35.9 | 0 | 0 | 0 | 113.9 | W82 L90 | W82-P88 VanDerWaalsContact CH2-CD 3.5Å; W82-P88 VanDerWaalsContact CZ2-CD 3.43Å; W82-P88 HydrophobicContact CZ2-CG 4.48Å; P88-L90 PolarHBondContact O-N 3.07Å |
| 89 | E | 83.6 | Confident | 89.6 | Confident | 144 Ų | 144 | 76 Ų | 76 | 67% | 0.673 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -17.8 | 172.1 | -59.7 | 178.9 | 121 | 0 | 0 | 113.2 | N87 I91 G124 | N87-E89 PolarHBondContact ND2-OE2 3.24Å; N87-E89 PolarHBondContact O-N 3.41Å; N87-E89 WeakPolarHBondContact OD1-CB 3.37Å; N87-E89 WeakPolarHBondContact OD1-CG 3.22Å; N87-E89 PolarHBondContact OD1-N 3.32Å; E89-I91 PolarHBondContact O-N 3.38Å; E89-G124 WeakPolarHBondContact O-CA 3.41Å |
| 90 | L | 85.5 | Confident | 89.7 | Confident | 24 Ų | 24 | 73.4 Ų | 73.4 | 13% | 0.126 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -74.1 | 114.8 | -178.1 | -63.1 | 173.7 | 0 | 0 | 0 | 111.3 | N87 P88 K92 G124 I126 | N87-L90 HydrophobicContact CB-CD1 4.08Å; N87-L90 HydrophobicContact CB-CG 4.06Å; N87-L90 VanDerWaalsContact O-CB 3.28Å; N87-L90 WeakPolarHBondContact O-CB 3.48Å; N87-L90 WeakPolarHBondContact O-CG 3.28Å; N87-L90 PolarHBondContact O-N 3.33Å; P88-L90 PolarHBondContact O-N 3.07Å; L90-K92 PolarHBondContact O-N 3.06Å; L90-G124 CarbonylContact C-O 3.59Å; L90-G124 WeakPolarHBondContact CA-O 3.46Å; L90-I126 HydrophobicContact CD1-CD1 4.31Å; L90-I126 HydrophobicContact CD2-CD1 3.97Å; L90-I126 HydrophobicContact CD2-CG1 3.81Å |
| 91 | I | 86.1 | Confident | 89.9 | Confident | 70 Ų | 70 | 74.1 Ų | 74.1 | 36% | 0.359 | 38% | 0.376 | S | S | . | . | trans | -71.9 | 96 | 179.2 | -58.7 | -179 | 0 | 0 | 0 | 109.5 | E89 G93 K123 G124 R125 | E89-I91 PolarHBondContact O-N 3.38Å; I91-G93 PolarHBondContact O-N 3.45Å; I91-K123 VanDerWaalsContact CD1-O 3.23Å; I91-K123 WeakPolarHBondContact CD1-O 3.41Å; I91-G124 PolarHBondContact N-O 3.4Å; I91-R125 VanDerWaalsContact CG2-CZ 3.48Å; I91-R125 PolarHBondContact O-NH1 2.81Å | ||
| 92 | K | 84.6 | Confident | 90 | Very high | 145 Ų | 145 | 75.7 Ų | 75.7 | 63% | 0.63 | 38% | 0.381 | S | S | * | . | trans | -88.2 | 82.3 | 171.7 | -66.6 | 162.8 | -174.4 | 167.8 | 0 | 109.1 | V85 L90 | V85-K92 WeakPolarHBondContact O-CE 3.31Å; V85-K92 PolarHBondContact O-NZ 3.09Å; L90-K92 PolarHBondContact O-N 3.06Å | ||
| 93 | G | 87 | Confident | 90.2 | Very high | 36 Ų | 36 | 74.5 Ų | 74.5 | 37% | 0.371 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -170.9 | 176.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | I91 R125 | I91-G93 PolarHBondContact O-N 3.45Å; G93-R125 PolarHBondContact O-NH1 3.47Å |
| 94 | P | 91.3 | Very high | 90.5 | Very high | 118 Ų | 118 | 72 Ų | 72 | 77% | 0.766 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 157.7 | 172.8 | 28.1 | -35.9 | 0 | 0 | 0 | 110.9 | R125 | P94-R125 PolarHBondContact O-NH2 3Š|
| 95 | W | 94.3 | Very high | 90.9 | Very high | 51 Ų | 51 | 71.8 Ų | 71.8 | 19% | 0.193 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -80.4 | 132 | 175.8 | -76.1 | 82.4 | 0 | 0 | 0 | 110.5 | E99 V103 R125 Q129 R133 | W95-E99 HydrophobicContact CE3-CB 3.71Å; W95-E99 HydrophobicContact CZ3-CB 4Å; W95-V103 HydrophobicContact CH2-CG2 3.99Å; W95-V103 HydrophobicContact CZ3-CG2 3.57Å; W95-R125 HydrophobicContact CH2-CB 4.26Å; W95-R125 HydrophobicContact CH2-CG 4.15Å; W95-R125 HydrophobicContact CZ3-CG 4.35Å; W95-Q129 HydrophobicContact CZ2-CB 3.91Å; W95-R133 HydrophobicContact CD2-CB 4.19Å; W95-R133 HydrophobicContact CD2-CG 3.64Å; W95-R133 HydrophobicContact CE3-CG 3.99Å; W95-R133 HydrophobicContact CG-CG 4.02Å; W95-R133 HydrophobicContact CH2-CB 4.18Å; W95-R133 HydrophobicContact CH2-CG 4.39Å; W95-R133 HydrophobicContact CZ2-CB 3.65Å; W95-R133 HydrophobicContact CZ2-CG 4.04Å; W95-R133 HydrophobicContact CZ3-CG 4.37Å |
| 96 | T | 94.8 | Very high | 91.3 | Very high | 63 Ų | 63 | 70.1 Ų | 70.1 | 39% | 0.387 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -86.5 | 161.8 | 171.5 | 90.7 | 0 | 0 | 0 | 0 | 110.9 | E98 E99 D100 | T96-E98 WeakPolarHBondContact CB-OE2 3.4Å; T96-E98 PolarHBondContact O-N 3.09Å; T96-E98 PolarHBondContact OG1-N 2.89Å; T96-E98 PolarHBondContact OG1-OE2 3.2Å; T96-E99 PolarHBondContact N-OE2 3.35Å; T96-E99 PolarHBondContact O-N 3.08Å; T96-E99 PolarHBondContact OG1-N 3.39Å; T96-D100 PolarHBondContact O-N 3.09Å |
| 97 | K | 94.3 | Very high | 91.7 | Very high | 170 Ų | 170 | 69 Ų | 69 | 74% | 0.739 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65.8 | -29 | -179.8 | -65.2 | -178.6 | 179.7 | 177.8 | 0 | 111.8 | D100 Q101 | K97-D100 PolarHBondContact O-N 2.66Å; K97-Q101 WeakPolarHBondContact O-CB 3.46Å; K97-Q101 PolarHBondContact O-N 2.7Å |
| 98 | E | 94.4 | Very high | 92.1 | Very high | 118 Ų | 118 | 75.8 Ų | 75.8 | 55% | 0.551 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -80 | -20.8 | -178.7 | -49.7 | 68.2 | -142.4 | 0 | 0 | 112 | T96 R102 | T96-E98 WeakPolarHBondContact CB-OE2 3.4Å; T96-E98 PolarHBondContact O-N 3.09Å; T96-E98 PolarHBondContact OG1-N 2.89Å; T96-E98 PolarHBondContact OG1-OE2 3.2Å; E98-R102 PolarHBondContact O-NE 3.4Å |
| 99 | E | 94.4 | Very high | 92.7 | Very high | 8 Ų | 8 | 77.7 Ų | 77.7 | 4% | 0.037 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -81.5 | -45.9 | 166 | -64.4 | 178.9 | 116.2 | 0 | 0 | 111.2 | W95 T96 Q101 R102 V103 R125 | W95-E99 HydrophobicContact CE3-CB 3.71Å; W95-E99 HydrophobicContact CZ3-CB 4Å; T96-E99 PolarHBondContact N-OE2 3.35Å; T96-E99 PolarHBondContact O-N 3.08Å; T96-E99 PolarHBondContact OG1-N 3.39Å; E99-Q101 VanDerWaalsContact C-N 3.34Å; E99-Q101 PolarHBondContact O-N 2.9Å; E99-R102 PolarHBondContact O-N 3.47Å; E99-V103 WeakPolarHBondContact O-CG2 3.45Å; E99-V103 PolarHBondContact O-N 2.84Å; E99-R125 VanDerWaalsContact CD-NH2 3.33Å; E99-R125 WeakPolarHBondContact OE1-CG 3.49Å; E99-R125 IonicContact OE1-CZ 3.78Å; E99-R125 IonicContact OE1-NE 2.76Å; E99-R125 PolarHBondContact OE1-NE 2.76Å; E99-R125 IonicContact OE1-NH2 2.72Å; E99-R125 PolarHBondContact OE1-NH2 3.12Å; E99-R125 IonicContact OE2-CZ 3.8Å; E99-R125 IonicContact OE2-NE 3.18Å; E99-R125 IonicContact OE2-NH2 3.82Å; E99-R125 PolarHBondContact OE2-NH2 3.02Å |
| 100 | D | 95.3 | Very high | 93.2 | Very high | 19 Ų | 19 | 73 Ų | 73 | 10% | 0.102 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58 | -46.2 | 176.5 | -78.6 | -23.5 | 0 | 0 | 0 | 111.5 | T96 K97 R102 V103 I104 R133 L138 | T96-D100 PolarHBondContact O-N 3.09Å; K97-D100 PolarHBondContact O-N 2.66Å; D100-R102 PolarHBondContact O-N 2.86Å; D100-V103 WeakPolarHBondContact O-CB 3.49Å; D100-V103 PolarHBondContact O-N 2.95Å; D100-V103 VanDerWaalsContact O-N 3.17Å; D100-I104 WeakPolarHBondContact O-CG1 3.45Å; D100-I104 PolarHBondContact O-N 3.34Å; D100-R133 WeakPolarHBondContact OD1-CG 3.47Å; D100-R133 IonicContact OD1-CZ 3.16Å; D100-R133 IonicContact OD1-NE 3.38Å; D100-R133 PolarHBondContact OD1-NE 2.89Å; D100-R133 IonicContact OD1-NH2 2.7Å; D100-R133 PolarHBondContact OD1-NH2 3.31Å; D100-R133 IonicContact OD2-CZ 2.73Å; D100-R133 IonicContact OD2-NE 3.59Å; D100-R133 IonicContact OD2-NH2 2.67Å; D100-R133 PolarHBondContact OD2-NH2 2.94Å; D100-L138 HydrophobicContact CB-CD1 4.08Å; D100-L138 HydrophobicContact CB-CD2 3.74Å |
| 101 | Q | 95.9 | Very high | 93.5 | Very high | 94 Ų | 94 | 73 Ų | 73 | 44% | 0.439 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 176.4 | 179.4 | 57.9 | 27.9 | 0 | 0 | 111.7 | K97 E99 V103 I104 E105 | K97-Q101 WeakPolarHBondContact O-CB 3.46Å; K97-Q101 PolarHBondContact O-N 2.7Å; E99-Q101 VanDerWaalsContact C-N 3.34Å; E99-Q101 PolarHBondContact O-N 2.9Å; Q101-V103 PolarHBondContact O-N 2.69Å; Q101-I104 WeakPolarHBondContact O-CB 3.4Å; Q101-I104 PolarHBondContact O-N 2.76Å; Q101-I104 VanDerWaalsContact O-N 3.14Å; Q101-E105 WeakPolarHBondContact CG-OE1 3.26Å; Q101-E105 PolarHBondContact NE2-OE1 3.36Å; Q101-E105 WeakPolarHBondContact O-CG 3.14Å; Q101-E105 PolarHBondContact O-N 3.36Å |
| 102 | R | 95 | Very high | 93.9 | Very high | 88 Ų | 88 | 72.9 Ų | 72.9 | 33% | 0.332 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.3 | -36.7 | 174.4 | -80.5 | -176.1 | -68.1 | 152.3 | -5 | 112.4 | E98 E99 D100 I104 E105 L106 L122 | E98-R102 PolarHBondContact O-NE 3.4Å; E99-R102 PolarHBondContact O-N 3.47Å; D100-R102 PolarHBondContact O-N 2.86Å; R102-I104 VanDerWaalsContact C-N 3.29Å; R102-I104 PolarHBondContact O-N 2.73Å; R102-E105 PolarHBondContact O-N 3.28Å; R102-L106 HydrophobicContact CB-CD1 4.37Å; R102-L106 WeakPolarHBondContact O-CB 3.46Å; R102-L106 VanDerWaalsContact O-CD1 3.25Å; R102-L106 WeakPolarHBondContact O-CD1 3.44Å; R102-L106 WeakPolarHBondContact O-CG 3.35Å; R102-L106 PolarHBondContact O-N 2.94Å; R102-L122 HydrophobicContact CB-CD2 3.74Å |
| 103 | V | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 172.1 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | W95 E99 D100 Q101 V107 L122 W134 L138 | W95-V103 HydrophobicContact CH2-CG2 3.99Å; W95-V103 HydrophobicContact CZ3-CG2 3.57Å; E99-V103 WeakPolarHBondContact O-CG2 3.45Å; E99-V103 PolarHBondContact O-N 2.84Å; D100-V103 WeakPolarHBondContact O-CB 3.49Å; D100-V103 PolarHBondContact O-N 2.95Å; D100-V103 VanDerWaalsContact O-N 3.17Å; Q101-V103 PolarHBondContact O-N 2.69Å; V103-V107 HydrophobicContact CG1-CG2 4.18Å; V103-V107 VanDerWaalsContact O-CB 3.3Å; V103-V107 WeakPolarHBondContact O-CB 3.5Å; V103-V107 WeakPolarHBondContact O-CG2 3.37Å; V103-V107 PolarHBondContact O-N 3.33Å; V103-L122 HydrophobicContact CG2-CD1 3.59Å; V103-L122 HydrophobicContact CG2-CD2 4.47Å; V103-W134 HydrophobicContact CG1-CB 4.4Å; V103-W134 HydrophobicContact CG1-CE3 4.34Å; V103-L138 HydrophobicContact CB-CD1 3.76Å; V103-L138 HydrophobicContact CG1-CD1 3.67Å |
| 104 | I | 95.4 | Very high | 94.6 | Very high | 55 Ų | 55 | 79.6 Ų | 79.6 | 28% | 0.282 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.8 | -52.9 | 177.2 | -66 | 159.5 | 0 | 0 | 0 | 110.9 | D100 Q101 R102 L106 V107 Q108 W134 L138 | D100-I104 WeakPolarHBondContact O-CG1 3.45Å; D100-I104 PolarHBondContact O-N 3.34Å; Q101-I104 WeakPolarHBondContact O-CB 3.4Å; Q101-I104 PolarHBondContact O-N 2.76Å; Q101-I104 VanDerWaalsContact O-N 3.14Å; R102-I104 VanDerWaalsContact C-N 3.29Å; R102-I104 PolarHBondContact O-N 2.73Å; I104-L106 VanDerWaalsContact C-N 3.35Å; I104-L106 PolarHBondContact O-N 3.45Å; I104-V107 PolarHBondContact O-N 2.85Å; I104-Q108 WeakPolarHBondContact O-CB 3.29Å; I104-Q108 PolarHBondContact O-N 2.9Å; I104-W134 HydrophobicContact CB-CZ3 4.4Å; I104-W134 HydrophobicContact CG1-CZ3 4.01Å; I104-L138 HydrophobicContact CD1-CB 4.48Å; I104-L138 HydrophobicContact CD1-CD2 4.49Å; I104-L138 HydrophobicContact CG1-CB 4.09Å; I104-L138 HydrophobicContact CG1-CD1 4.36Å |
| 105 | E | 95.9 | Very high | 94.8 | Very high | 94 Ų | 94 | 75.2 Ų | 75.2 | 44% | 0.439 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.2 | -43.2 | 178.7 | -69.9 | 163.6 | -172.8 | 0 | 0 | 112.5 | Q101 R102 Q108 K109 | Q101-E105 WeakPolarHBondContact CG-OE1 3.26Å; Q101-E105 PolarHBondContact NE2-OE1 3.36Å; Q101-E105 WeakPolarHBondContact O-CG 3.14Å; Q101-E105 PolarHBondContact O-N 3.36Å; R102-E105 PolarHBondContact O-N 3.28Å; E105-Q108 PolarHBondContact O-N 3.39Å; E105-K109 WeakPolarHBondContact O-CB 3.33Å; E105-K109 PolarHBondContact O-N 3.04Å |
| 106 | L | 96.1 | Very high | 94.8 | Very high | 20 Ų | 20 | 77.4 Ų | 77.4 | 11% | 0.105 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -71.3 | -32.8 | 179.5 | -67.1 | 165.9 | 0 | 0 | 0 | 112.2 | R102 I104 Y110 I118 H121 L122 | R102-L106 HydrophobicContact CB-CD1 4.37Å; R102-L106 WeakPolarHBondContact O-CB 3.46Å; R102-L106 VanDerWaalsContact O-CD1 3.25Å; R102-L106 WeakPolarHBondContact O-CD1 3.44Å; R102-L106 WeakPolarHBondContact O-CG 3.35Å; R102-L106 PolarHBondContact O-N 2.94Å; I104-L106 VanDerWaalsContact C-N 3.35Å; I104-L106 PolarHBondContact O-N 3.45Å; L106-Y110 HydrophobicContact CB-CD2 4.43Å; L106-Y110 HydrophobicContact CD2-CD2 4.11Å; L106-Y110 HydrophobicContact CD2-CE2 3.73Å; L106-Y110 WeakPolarHBondContact O-CB 3.34Å; L106-Y110 WeakPolarHBondContact O-CD2 3.28Å; L106-Y110 PolarHBondContact O-N 2.92Å; L106-I118 HydrophobicContact CB-CB 4.39Å; L106-I118 HydrophobicContact CB-CG1 4.12Å; L106-I118 HydrophobicContact CB-CG2 3.89Å; L106-I118 HydrophobicContact CD1-CG2 4.17Å; L106-H121 HydrophobicContact CD1-CB 3.57Å; L106-H121 HydrophobicContact CD2-CB 3.56Å; L106-H121 HydrophobicContact CG-CB 4.24Å; L106-L122 HydrophobicContact CD1-CD1 4.33Å; L106-L122 HydrophobicContact CD1-CD2 4.28Å; L106-L122 HydrophobicContact CD1-CG 3.97Å |
| 107 | V | 96.1 | Very high | 94.7 | Very high | 5 Ų | 5 | 77.1 Ų | 77.1 | 3% | 0.03 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -72.7 | -36.2 | 171.7 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | V103 I104 G111 P112 W115 I118 W134 | V103-V107 HydrophobicContact CG1-CG2 4.18Å; V103-V107 VanDerWaalsContact O-CB 3.3Å; V103-V107 WeakPolarHBondContact O-CB 3.5Å; V103-V107 WeakPolarHBondContact O-CG2 3.37Å; V103-V107 PolarHBondContact O-N 3.33Å; I104-V107 PolarHBondContact O-N 2.85Å; V107-G111 WeakPolarHBondContact O-CA 3.49Å; V107-G111 PolarHBondContact O-N 3.19Å; V107-P112 HydrophobicContact CG1-CB 3.91Å; V107-W115 HydrophobicContact CG2-CH2 3.64Å; V107-W115 HydrophobicContact CG2-CZ3 3.55Å; V107-I118 HydrophobicContact CG2-CD1 3.73Å; V107-W134 HydrophobicContact CB-CD2 4.29Å; V107-W134 HydrophobicContact CB-CE3 3.97Å; V107-W134 HydrophobicContact CB-CH2 4.28Å; V107-W134 HydrophobicContact CB-CZ3 3.97Å; V107-W134 HydrophobicContact CG1-CD2 3.89Å; V107-W134 HydrophobicContact CG1-CE3 3.98Å; V107-W134 HydrophobicContact CG1-CH2 3.74Å; V107-W134 HydrophobicContact CG1-CZ2 3.64Å; V107-W134 HydrophobicContact CG1-CZ3 3.91Å; V107-W134 HydrophobicContact CG2-CD2 4.03Å; V107-W134 HydrophobicContact CG2-CE3 3.89Å; V107-W134 HydrophobicContact CG2-CG 4.4Å; V107-W134 HydrophobicContact CG2-CZ3 4.41Å |
| 108 | Q | 95.2 | Very high | 94.7 | Very high | 165 Ų | 165 | 69 Ų | 69 | 77% | 0.771 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.4 | -42.1 | 172.9 | -172 | 177.1 | 2 | 0 | 0 | 111.4 | I104 E105 | I104-Q108 WeakPolarHBondContact O-CB 3.29Å; I104-Q108 PolarHBondContact O-N 2.9Å; E105-Q108 PolarHBondContact O-N 3.39Å |
| 109 | K | 95.1 | Very high | 94.7 | Very high | 145 Ų | 145 | 64.1 Ų | 64.1 | 63% | 0.63 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -74 | -42.7 | 179.3 | -173.4 | -179.6 | -178.6 | -170.4 | 0 | 113.9 | E105 | E105-K109 WeakPolarHBondContact O-CB 3.33Å; E105-K109 PolarHBondContact O-N 3.04Å |
| 110 | Y | 94.2 | Very high | 94.6 | Very high | 46 Ų | 46 | 72.5 Ų | 72.5 | 18% | 0.18 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -107.9 | -8.6 | -172.4 | -60.9 | -63.8 | 0 | 0 | 0 | 114.7 | L106 R114 V117 I118 H121 | L106-Y110 HydrophobicContact CB-CD2 4.43Å; L106-Y110 HydrophobicContact CD2-CD2 4.11Å; L106-Y110 HydrophobicContact CD2-CE2 3.73Å; L106-Y110 WeakPolarHBondContact O-CB 3.34Å; L106-Y110 WeakPolarHBondContact O-CD2 3.28Å; L106-Y110 PolarHBondContact O-N 2.92Å; Y110-R114 VanDerWaalsContact O-CZ 3.28Å; Y110-R114 PolarHBondContact O-NE 3.05Å; Y110-R114 PolarHBondContact O-NH2 3.23Å; Y110-V117 HydrophobicContact CD2-CG1 4.49Å; Y110-V117 HydrophobicContact CE1-CG1 4.48Å; Y110-V117 HydrophobicContact CE2-CG1 4.42Å; Y110-I118 HydrophobicContact CD2-CG1 4.45Å; Y110-H121 AromaticContact CE2-CD2 3.59Å; Y110-H121 AromaticContact CE2-NE2 3.49Å; Y110-H121 WeakPolarHBondContact CE2-NE2 3Å; Y110-H121 AromaticContact CZ-NE2 3.55Å; Y110-H121 PolarHBondContact OH-NE2 3.17Å |
| 111 | G | 93.4 | Very high | 94.4 | Very high | 24 Ų | 24 | 75.8 Ų | 75.8 | 25% | 0.247 | 37% | 0.365 | C | S | . | . | trans | 77.3 | 154.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V107 K113 R114 | V107-G111 WeakPolarHBondContact O-CA 3.49Å; V107-G111 PolarHBondContact O-N 3.19Å; G111-K113 PolarHBondContact O-N 3.07Å; G111-R114 PolarHBondContact O-N 2.79Å | ||
| 112 | P | 92.9 | Very high | 94.1 | Very high | 66 Ų | 66 | 71.8 Ų | 71.8 | 43% | 0.429 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 37.5 | -174.9 | 31.6 | -37.3 | 0 | 0 | 0 | 114.4 | V107 W115 | V107-P112 HydrophobicContact CG1-CB 3.91Å; P112-W115 VanDerWaalsContact CA-CZ2 3.46Å; P112-W115 HydrophobicContact CB-CH2 4.1Å; P112-W115 HydrophobicContact CB-CZ2 3.73Å; P112-W115 VanDerWaalsContact O-CE2 3.32Å; P112-W115 WeakPolarHBondContact O-CZ2 3.49Å; P112-W115 PolarHBondContact O-NE1 2.94Å; P112-W115 VanDerWaalsContact O-NE1 3.07Å |
| 113 | K | 93 | Very high | 93.8 | Very high | 185 Ų | 185 | 76 Ų | 76 | 80% | 0.804 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.4 | -35.9 | 178.5 | -63 | -178.5 | -179.4 | 178 | 0 | 112.3 | G111 W115 | G111-K113 PolarHBondContact O-N 3.07Å; K113-W115 VanDerWaalsContact C-N 3.28Å; K113-W115 VanDerWaalsContact O-CD1 3.24Å; K113-W115 PolarHBondContact O-N 2.81Å |
| 114 | R | 93.7 | Very high | 93.4 | Very high | 137 Ų | 137 | 76.9 Ų | 76.9 | 52% | 0.517 | 38% | 0.376 | S | S | . | . | trans | -87.7 | 49.8 | -170.9 | -70.3 | -174.7 | -78.6 | -165.3 | -5.4 | 113.6 | Y110 G111 S116 V117 I118 | Y110-R114 VanDerWaalsContact O-CZ 3.28Å; Y110-R114 PolarHBondContact O-NE 3.05Å; Y110-R114 PolarHBondContact O-NH2 3.23Å; G111-R114 PolarHBondContact O-N 2.79Å; R114-S116 VanDerWaalsContact C-N 3.3Å; R114-S116 PolarHBondContact O-N 2.78Å; R114-V117 HydrophobicContact CB-CB 4.22Å; R114-V117 HydrophobicContact CB-CG2 4.18Å; R114-V117 WeakPolarHBondContact O-CB 3.16Å; R114-V117 PolarHBondContact O-N 3.16Å; R114-I118 PolarHBondContact O-N 3.45Å | ||
| 115 | W | 95.4 | Very high | 93.3 | Very high | 27 Ų | 27 | 74.7 Ų | 74.7 | 10% | 0.102 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -56.7 | -35.1 | -172.6 | -60.1 | 108.1 | 0 | 0 | 0 | 115 | V107 P112 K113 V117 I118 A119 G127 C130 R131 W134 H135 | V107-W115 HydrophobicContact CG2-CH2 3.64Å; V107-W115 HydrophobicContact CG2-CZ3 3.55Å; P112-W115 VanDerWaalsContact CA-CZ2 3.46Å; P112-W115 HydrophobicContact CB-CH2 4.1Å; P112-W115 HydrophobicContact CB-CZ2 3.73Å; P112-W115 VanDerWaalsContact O-CE2 3.32Å; P112-W115 WeakPolarHBondContact O-CZ2 3.49Å; P112-W115 PolarHBondContact O-NE1 2.94Å; P112-W115 VanDerWaalsContact O-NE1 3.07Å; K113-W115 VanDerWaalsContact C-N 3.28Å; K113-W115 VanDerWaalsContact O-CD1 3.24Å; K113-W115 PolarHBondContact O-N 2.81Å; W115-V117 VanDerWaalsContact C-N 3.32Å; W115-I118 HydrophobicContact CD2-CD1 4.35Å; W115-I118 HydrophobicContact CE3-CD1 3.74Å; W115-I118 HydrophobicContact CZ3-CD1 3.86Å; W115-A119 WeakPolarHBondContact O-CB 3.37Å; W115-A119 PolarHBondContact O-N 3.29Å; W115-G127 WeakPolarHBondContact O-CA 3.33Å; W115-C130 HydrophobicContact CE3-CB 4.2Å; W115-R131 HydrophobicContact CB-CB 4.48Å; W115-R131 HydrophobicContact CD2-CB 3.58Å; W115-R131 HydrophobicContact CD2-CG 3.98Å; W115-R131 HydrophobicContact CE3-CB 3.93Å; W115-R131 HydrophobicContact CG-CB 3.8Å; W115-R131 HydrophobicContact CG-CG 4.21Å; W115-R131 HydrophobicContact CZ2-CB 4.49Å; W115-R131 HydrophobicContact CZ2-CG 4.22Å; W115-W134 HydrophobicContact CH2-CB 3.52Å; W115-W134 AromaticContact CH2-CD1 3.61Å; W115-W134 HydrophobicContact CH2-CD2 4.36Å; W115-W134 AromaticContact CH2-CG 3.52Å; W115-W134 HydrophobicContact CH2-CG 3.52Å; W115-W134 HydrophobicContact CZ2-CG 4.42Å; W115-W134 HydrophobicContact CZ3-CB 3.84Å; W115-W134 HydrophobicContact CZ3-CG 4.25Å; W115-H135 AromaticContact CZ2-CE1 3.55Å |
| 116 | S | 93.8 | Very high | 93.1 | Very high | 96 Ų | 96 | 72.7 Ų | 72.7 | 67% | 0.671 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -71.2 | -24.5 | 175.5 | -49.8 | 0 | 0 | 0 | 0 | 113.6 | R114 | R114-S116 VanDerWaalsContact C-N 3.3Å; R114-S116 PolarHBondContact O-N 2.78Å |
| 117 | V | 93.9 | Very high | 93 | Very high | 57 Ų | 57 | 72.2 Ų | 72.2 | 35% | 0.345 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -81.4 | -44.4 | 174.7 | -176.9 | 0 | 0 | 0 | 0 | 109.9 | Y110 R114 W115 A119 K120 H121 | Y110-V117 HydrophobicContact CD2-CG1 4.49Å; Y110-V117 HydrophobicContact CE1-CG1 4.48Å; Y110-V117 HydrophobicContact CE2-CG1 4.42Å; R114-V117 HydrophobicContact CB-CB 4.22Å; R114-V117 HydrophobicContact CB-CG2 4.18Å; R114-V117 WeakPolarHBondContact O-CB 3.16Å; R114-V117 PolarHBondContact O-N 3.16Å; W115-V117 VanDerWaalsContact C-N 3.32Å; V117-A119 PolarHBondContact O-N 3.37Å; V117-K120 WeakPolarHBondContact O-CB 3.37Å; V117-K120 PolarHBondContact O-N 3.21Å; V117-H121 PolarHBondContact O-CD2 3.12Å |
| 118 | I | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -54.3 | -43.6 | 173.9 | -66.2 | 161.5 | 0 | 0 | 0 | 110.4 | L106 V107 Y110 R114 W115 K120 H121 L122 C130 | L106-I118 HydrophobicContact CB-CB 4.39Å; L106-I118 HydrophobicContact CB-CG1 4.12Å; L106-I118 HydrophobicContact CB-CG2 3.89Å; L106-I118 HydrophobicContact CD1-CG2 4.17Å; V107-I118 HydrophobicContact CG2-CD1 3.73Å; Y110-I118 HydrophobicContact CD2-CG1 4.45Å; R114-I118 PolarHBondContact O-N 3.45Å; W115-I118 HydrophobicContact CD2-CD1 4.35Å; W115-I118 HydrophobicContact CE3-CD1 3.74Å; W115-I118 HydrophobicContact CZ3-CD1 3.86Å; I118-K120 PolarHBondContact O-N 3.46Å; I118-H121 PolarHBondContact O-N 3.25Å; I118-L122 HydrophobicContact CG2-CD1 4.1Å; I118-C130 HydrophobicContact CG2-CB 4.31Å |
| 119 | A | 94 | Very high | 92.8 | Very high | 15 Ų | 15 | 74.1 Ų | 74.1 | 12% | 0.124 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.1 | -39.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | W115 V117 H121 L122 R125 | W115-A119 WeakPolarHBondContact O-CB 3.37Å; W115-A119 PolarHBondContact O-N 3.29Å; V117-A119 PolarHBondContact O-N 3.37Å; A119-H121 PolarHBondContact O-N 3.43Å; A119-H121 VanDerWaalsContact O-N 3.17Å; A119-L122 PolarHBondContact O-N 3.45Å; A119-R125 WeakPolarHBondContact CB-O 3.45Å |
| 120 | K | 92.1 | Very high | 92.8 | Very high | 184 Ų | 184 | 67.2 Ų | 67.2 | 80% | 0.8 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.7 | -20.9 | 179.4 | -71.9 | -176.1 | 176.4 | -167.1 | 0 | 113.5 | V117 I118 | V117-K120 WeakPolarHBondContact O-CB 3.37Å; V117-K120 PolarHBondContact O-N 3.21Å; I118-K120 PolarHBondContact O-N 3.46Å |
| 121 | H | 90.8 | Very high | 92.8 | Very high | 89 Ų | 89 | 71 Ų | 71 | 41% | 0.412 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 1.4 | 176 | -64.4 | -70.4 | 0 | 0 | 0 | 113.4 | L106 Y110 V117 I118 A119 | L106-H121 HydrophobicContact CD1-CB 3.57Å; L106-H121 HydrophobicContact CD2-CB 3.56Å; L106-H121 HydrophobicContact CG-CB 4.24Å; Y110-H121 AromaticContact CE2-CD2 3.59Å; Y110-H121 AromaticContact CE2-NE2 3.49Å; Y110-H121 WeakPolarHBondContact CE2-NE2 3Å; Y110-H121 AromaticContact CZ-NE2 3.55Å; Y110-H121 PolarHBondContact OH-NE2 3.17Å; V117-H121 PolarHBondContact O-CD2 3.12Å; I118-H121 PolarHBondContact O-N 3.25Å; A119-H121 PolarHBondContact O-N 3.43Å; A119-H121 VanDerWaalsContact O-N 3.17Å |
| 122 | L | 90.8 | Very high | 92.9 | Very high | 9 Ų | 9 | 74.2 Ų | 74.2 | 5% | 0.047 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -116.8 | 125.7 | 178.2 | -66.8 | 163 | 0 | 0 | 0 | 109.2 | R102 V103 L106 I118 A119 G124 R125 C130 | R102-L122 HydrophobicContact CB-CD2 3.74Å; V103-L122 HydrophobicContact CG2-CD1 3.59Å; V103-L122 HydrophobicContact CG2-CD2 4.47Å; L106-L122 HydrophobicContact CD1-CD1 4.33Å; L106-L122 HydrophobicContact CD1-CD2 4.28Å; L106-L122 HydrophobicContact CD1-CG 3.97Å; I118-L122 HydrophobicContact CG2-CD1 4.1Å; A119-L122 PolarHBondContact O-N 3.45Å; L122-G124 PolarHBondContact O-N 3.5Å; L122-R125 HydrophobicContact CB-CB 4.05Å; L122-C130 VanDerWaalsContact CD1-SG 3.54Å |
| 123 | K | 87.7 | Confident | 93 | Very high | 178 Ų | 178 | 73.6 Ų | 73.6 | 77% | 0.774 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | 120.6 | 178.2 | -64.7 | -171.2 | 176.9 | -170.7 | 0 | 108.7 | I91 R125 | I91-K123 VanDerWaalsContact CD1-O 3.23Å; I91-K123 WeakPolarHBondContact CD1-O 3.41Å; K123-R125 VanDerWaalsContact C-N 3.29Å; K123-R125 PolarHBondContact O-N 2.89Å |
| 124 | G | 87.3 | Confident | 93.1 | Very high | 18 Ų | 18 | 66.1 Ų | 66.1 | 19% | 0.186 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 9.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | E89 L90 I91 L122 | E89-G124 WeakPolarHBondContact O-CA 3.41Å; L90-G124 CarbonylContact C-O 3.59Å; L90-G124 WeakPolarHBondContact CA-O 3.46Å; I91-G124 PolarHBondContact N-O 3.4Å; L122-G124 PolarHBondContact O-N 3.5Å |
| 125 | R | 92.6 | Very high | 93 | Very high | 8 Ų | 8 | 62.5 Ų | 62.5 | 3% | 0.03 | 30% | 0.299 | C | S | . | . | trans | -108.3 | 127.4 | 178.1 | -62.4 | -61.5 | -168.5 | 165.6 | 14.2 | 111.7 | I91 G93 P94 W95 E99 A119 L122 K123 | I91-R125 VanDerWaalsContact CG2-CZ 3.48Å; I91-R125 PolarHBondContact O-NH1 2.81Å; G93-R125 PolarHBondContact O-NH1 3.47Å; P94-R125 PolarHBondContact O-NH2 3Å; W95-R125 HydrophobicContact CH2-CB 4.26Å; W95-R125 HydrophobicContact CH2-CG 4.15Å; W95-R125 HydrophobicContact CZ3-CG 4.35Å; E99-R125 VanDerWaalsContact CD-NH2 3.33Å; E99-R125 WeakPolarHBondContact OE1-CG 3.49Å; E99-R125 IonicContact OE1-CZ 3.78Å; E99-R125 IonicContact OE1-NE 2.76Å; E99-R125 PolarHBondContact OE1-NE 2.76Å; E99-R125 IonicContact OE1-NH2 2.72Å; E99-R125 PolarHBondContact OE1-NH2 3.12Å; E99-R125 IonicContact OE2-CZ 3.8Å; E99-R125 IonicContact OE2-NE 3.18Å; E99-R125 IonicContact OE2-NH2 3.82Å; E99-R125 PolarHBondContact OE2-NH2 3.02Å; A119-R125 WeakPolarHBondContact CB-O 3.45Å; L122-R125 HydrophobicContact CB-CB 4.05Å; K123-R125 VanDerWaalsContact C-N 3.29Å; K123-R125 PolarHBondContact O-N 2.89Å | ||
| 126 | I | 92.6 | Very high | 92.9 | Very high | 53 Ų | 53 | 62.1 Ų | 62.1 | 27% | 0.272 | 30% | 0.299 | S | S | . | . | trans | -82.5 | 144.7 | -177.4 | -56.1 | 173.9 | 0 | 0 | 0 | 109.9 | K84 L90 K128 Q129 C130 | K84-I126 HydrophobicContact CB-CD1 4.5Å; K84-I126 VanDerWaalsContact O-CD1 3.29Å; K84-I126 WeakPolarHBondContact O-CD1 3.44Å; L90-I126 HydrophobicContact CD1-CD1 4.31Å; L90-I126 HydrophobicContact CD2-CD1 3.97Å; L90-I126 HydrophobicContact CD2-CG1 3.81Å; I126-K128 HydrophobicContact CG2-CB 4.48Å; I126-K128 PolarHBondContact O-N 2.67Å; I126-Q129 HydrophobicContact CB-CG 4.41Å; I126-Q129 WeakPolarHBondContact O-CA 3.47Å; I126-Q129 WeakPolarHBondContact O-CB 3.37Å; I126-Q129 PolarHBondContact O-N 2.7Å; I126-C130 PolarHBondContact O-N 3.07Å; I126-C130 PolarHBondContact O-SG 3.19Å | ||
| 127 | G | 93.7 | Very high | 92.8 | Very high | 9 Ų | 9 | 61.5 Ų | 61.5 | 9% | 0.093 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -54.8 | -30.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | W115 C130 R131 | W115-G127 WeakPolarHBondContact O-CA 3.33Å; G127-C130 PolarHBondContact O-N 3.03Å; G127-R131 WeakPolarHBondContact O-CB 3.17Å; G127-R131 PolarHBondContact O-N 3.39Å |
| 128 | K | 92.7 | Very high | 92.7 | Very high | 154 Ų | 154 | 59.8 Ų | 59.8 | 67% | 0.67 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -60.6 | -49.4 | 170.7 | -175.8 | -172.1 | 171 | -170.1 | 0 | 111.6 | I126 C130 R131 E132 | I126-K128 HydrophobicContact CG2-CB 4.48Å; I126-K128 PolarHBondContact O-N 2.67Å; K128-C130 VanDerWaalsContact C-N 3.31Å; K128-C130 PolarHBondContact O-N 3.3Å; K128-R131 PolarHBondContact O-N 3.05Å; K128-E132 VanDerWaalsContact O-CB 3.31Å; K128-E132 WeakPolarHBondContact O-CB 3.31Å; K128-E132 PolarHBondContact O-N 3.17Å |
| 129 | Q | 93.8 | Very high | 92.5 | Very high | 57 Ų | 57 | 60.9 Ų | 60.9 | 27% | 0.266 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 178.6 | -58.4 | 169.7 | -66.9 | 0 | 0 | 110.3 | W95 I126 E132 R133 | W95-Q129 HydrophobicContact CZ2-CB 3.91Å; I126-Q129 HydrophobicContact CB-CG 4.41Å; I126-Q129 WeakPolarHBondContact O-CA 3.47Å; I126-Q129 WeakPolarHBondContact O-CB 3.37Å; I126-Q129 PolarHBondContact O-N 2.7Å; Q129-E132 PolarHBondContact O-N 3.05Å; Q129-R133 VanDerWaalsContact O-CB 3.31Å; Q129-R133 WeakPolarHBondContact O-CB 3.38Å; Q129-R133 PolarHBondContact O-N 3.44Å |
| 130 | C | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.3 | -46.2 | 177.1 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | W115 I118 L122 I126 G127 K128 W134 | W115-C130 HydrophobicContact CE3-CB 4.2Å; I118-C130 HydrophobicContact CG2-CB 4.31Å; L122-C130 VanDerWaalsContact CD1-SG 3.54Å; I126-C130 PolarHBondContact O-N 3.07Å; I126-C130 PolarHBondContact O-SG 3.19Å; G127-C130 PolarHBondContact O-N 3.03Å; K128-C130 VanDerWaalsContact C-N 3.31Å; K128-C130 PolarHBondContact O-N 3.3Å; C130-W134 WeakPolarHBondContact O-CB 3.42Å; C130-W134 PolarHBondContact O-N 2.91Å |
| 131 | R | 95.3 | Very high | 92.1 | Very high | 125 Ų | 125 | 63.8 Ų | 63.8 | 47% | 0.472 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.4 | -49.1 | 174.4 | -176.8 | -175.9 | 175.1 | -79.3 | -7.9 | 111.2 | W115 G127 K128 W134 H135 | W115-R131 HydrophobicContact CB-CB 4.48Å; W115-R131 HydrophobicContact CD2-CB 3.58Å; W115-R131 HydrophobicContact CD2-CG 3.98Å; W115-R131 HydrophobicContact CE3-CB 3.93Å; W115-R131 HydrophobicContact CG-CB 3.8Å; W115-R131 HydrophobicContact CG-CG 4.21Å; W115-R131 HydrophobicContact CZ2-CB 4.49Å; W115-R131 HydrophobicContact CZ2-CG 4.22Å; G127-R131 WeakPolarHBondContact O-CB 3.17Å; G127-R131 PolarHBondContact O-N 3.39Å; K128-R131 PolarHBondContact O-N 3.05Å; R131-W134 PolarHBondContact O-N 3.36Å; R131-H135 VanDerWaalsContact CG-CE1 3.49Å; R131-H135 WeakPolarHBondContact CG-CE1 3.28Å; R131-H135 WeakPolarHBondContact CG-ND1 3.45Å; R131-H135 PolarHBondContact O-N 3.32Å; R131-H135 PolarHBondContact O-ND1 3.42Å |
| 132 | E | 94.6 | Very high | 92.1 | Very high | 91 Ų | 91 | 60.5 Ų | 60.5 | 43% | 0.425 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.2 | -41.6 | -176.5 | -170.7 | 167.4 | 175 | 0 | 0 | 111.6 | K128 Q129 N136 | K128-E132 VanDerWaalsContact O-CB 3.31Å; K128-E132 WeakPolarHBondContact O-CB 3.31Å; K128-E132 PolarHBondContact O-N 3.17Å; Q129-E132 PolarHBondContact O-N 3.05Å; E132-N136 VanDerWaalsContact O-CB 3.26Å; E132-N136 WeakPolarHBondContact O-CB 3.43Å; E132-N136 PolarHBondContact O-N 3.46Å; E132-N136 VanDerWaalsContact O-N 3.13Å; E132-N136 PolarHBondContact O-ND2 3.28Å; E132-N136 VanDerWaalsContact O-ND2 3.13Å |
| 133 | R | 95.1 | Very high | 91.8 | Very high | 53 Ų | 53 | 64.8 Ų | 64.8 | 20% | 0.2 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 174 | -173.2 | 62.3 | 173 | 179.1 | -2.7 | 111.9 | W95 D100 Q129 H137 L138 | W95-R133 HydrophobicContact CD2-CB 4.19Å; W95-R133 HydrophobicContact CD2-CG 3.64Å; W95-R133 HydrophobicContact CE3-CG 3.99Å; W95-R133 HydrophobicContact CG-CG 4.02Å; W95-R133 HydrophobicContact CH2-CB 4.18Å; W95-R133 HydrophobicContact CH2-CG 4.39Å; W95-R133 HydrophobicContact CZ2-CB 3.65Å; W95-R133 HydrophobicContact CZ2-CG 4.04Å; W95-R133 HydrophobicContact CZ3-CG 4.37Å; D100-R133 WeakPolarHBondContact OD1-CG 3.47Å; D100-R133 IonicContact OD1-CZ 3.16Å; D100-R133 IonicContact OD1-NE 3.38Å; D100-R133 PolarHBondContact OD1-NE 2.89Å; D100-R133 IonicContact OD1-NH2 2.7Å; D100-R133 PolarHBondContact OD1-NH2 3.31Å; D100-R133 IonicContact OD2-CZ 2.73Å; D100-R133 IonicContact OD2-NE 3.59Å; D100-R133 IonicContact OD2-NH2 2.67Å; D100-R133 PolarHBondContact OD2-NH2 2.94Å; Q129-R133 VanDerWaalsContact O-CB 3.31Å; Q129-R133 WeakPolarHBondContact O-CB 3.38Å; Q129-R133 PolarHBondContact O-N 3.44Å; R133-H137 PolarHBondContact O-N 3Å; R133-L138 HydrophobicContact CG-CD1 3.78Å; R133-L138 HydrophobicContact CG-CG 4.07Å; R133-L138 PolarHBondContact O-N 2.99Å |
| 134 | W | 95.1 | Very high | 91.9 | Very high | 28 Ų | 28 | 63.8 Ų | 63.8 | 11% | 0.106 | 30% | 0.304 | C | S | . | . | I | π-helix | trans | -58 | -58.7 | 176.5 | 176.2 | -96.8 | 0 | 0 | 0 | 112 | V103 I104 V107 W115 C130 R131 N136 H137 L138 N139 | V103-W134 HydrophobicContact CG1-CB 4.4Å; V103-W134 HydrophobicContact CG1-CE3 4.34Å; I104-W134 HydrophobicContact CB-CZ3 4.4Å; I104-W134 HydrophobicContact CG1-CZ3 4.01Å; V107-W134 HydrophobicContact CB-CD2 4.29Å; V107-W134 HydrophobicContact CB-CE3 3.97Å; V107-W134 HydrophobicContact CB-CH2 4.28Å; V107-W134 HydrophobicContact CB-CZ3 3.97Å; V107-W134 HydrophobicContact CG1-CD2 3.89Å; V107-W134 HydrophobicContact CG1-CE3 3.98Å; V107-W134 HydrophobicContact CG1-CH2 3.74Å; V107-W134 HydrophobicContact CG1-CZ2 3.64Å; V107-W134 HydrophobicContact CG1-CZ3 3.91Å; V107-W134 HydrophobicContact CG2-CD2 4.03Å; V107-W134 HydrophobicContact CG2-CE3 3.89Å; V107-W134 HydrophobicContact CG2-CG 4.4Å; V107-W134 HydrophobicContact CG2-CZ3 4.41Å; W115-W134 HydrophobicContact CH2-CB 3.52Å; W115-W134 AromaticContact CH2-CD1 3.61Å; W115-W134 HydrophobicContact CH2-CD2 4.36Å; W115-W134 AromaticContact CH2-CG 3.52Å; W115-W134 HydrophobicContact CH2-CG 3.52Å; W115-W134 HydrophobicContact CZ2-CG 4.42Å; W115-W134 HydrophobicContact CZ3-CB 3.84Å; W115-W134 HydrophobicContact CZ3-CG 4.25Å; C130-W134 WeakPolarHBondContact O-CB 3.42Å; C130-W134 PolarHBondContact O-N 2.91Å; R131-W134 PolarHBondContact O-N 3.36Å; W134-N136 VanDerWaalsContact C-N 3.27Å; W134-N136 PolarHBondContact O-N 3.06Å; W134-H137 PolarHBondContact O-N 3.13Å; W134-L138 HydrophobicContact CE3-CB 3.76Å; W134-L138 HydrophobicContact CZ3-CB 4.19Å; W134-L138 PolarHBondContact O-N 3.12Å; W134-L138 VanDerWaalsContact O-N 3.14Å; W134-N139 HydrophobicContact CD2-CB 4.34Å; W134-N139 HydrophobicContact CZ2-CB 4.02Å; W134-N139 WeakPolarHBondContact O-CB 3.28Å; W134-N139 PolarHBondContact O-N 2.87Å |
| 135 | H | 93.1 | Very high | 92 | Very high | 61 Ų | 61 | 67.1 Ų | 67.1 | 28% | 0.282 | 32% | 0.321 | S | S | . | . | I | π-helix | trans | -65.3 | -29.2 | -173.4 | -70.4 | 73.5 | 0 | 0 | 0 | 112.8 | W115 R131 V142 T177 | W115-H135 AromaticContact CZ2-CE1 3.55Å; R131-H135 VanDerWaalsContact CG-CE1 3.49Å; R131-H135 WeakPolarHBondContact CG-CE1 3.28Å; R131-H135 WeakPolarHBondContact CG-ND1 3.45Å; R131-H135 PolarHBondContact O-N 3.32Å; R131-H135 PolarHBondContact O-ND1 3.42Å; H135-V142 WeakPolarHBondContact O-CG2 3.03Å; H135-T177 VanDerWaalsContact O-CG2 3.28Å; H135-T177 WeakPolarHBondContact O-CG2 3.37Å |
| 136 | N | 93.5 | Very high | 92 | Very high | 20 Ų | 20 | 71.6 Ų | 71.6 | 11% | 0.107 | 35% | 0.353 | C | S | . | . | I | π-helix | trans | -93.5 | -24 | -177.8 | -71.9 | -40.1 | 0 | 0 | 0 | 115.2 | E132 W134 T177 N179 | E132-N136 VanDerWaalsContact O-CB 3.26Å; E132-N136 WeakPolarHBondContact O-CB 3.43Å; E132-N136 PolarHBondContact O-N 3.46Å; E132-N136 VanDerWaalsContact O-N 3.13Å; E132-N136 PolarHBondContact O-ND2 3.28Å; E132-N136 VanDerWaalsContact O-ND2 3.13Å; W134-N136 VanDerWaalsContact C-N 3.27Å; W134-N136 PolarHBondContact O-N 3.06Å; N136-T177 PolarHBondContact OD1-OG1 3.23Å; N136-N179 WeakPolarHBondContact OD1-CB 3.1Å |
| 137 | H | 90.6 | Very high | 92 | Very high | 83 Ų | 83 | 72.3 Ų | 72.3 | 38% | 0.384 | 35% | 0.353 | S | S | . | . | I | π-helix | trans | -141.5 | -28.2 | -167.2 | -58.8 | -71.4 | 0 | 0 | 0 | 116.2 | R133 W134 K144 | R133-H137 PolarHBondContact O-N 3Å; W134-H137 PolarHBondContact O-N 3.13Å; H137-K144 WeakPolarHBondContact O-CE 3.37Å; H137-K144 PolarHBondContact O-NZ 3.33Å |
| 138 | L | 91.4 | Very high | 92 | Very high | 20 Ų | 20 | 74.7 Ų | 74.7 | 11% | 0.105 | 37% | 0.365 | C | S | . | . | I | π-helix | trans | -107.2 | -26.2 | -170.9 | -50.4 | 178.6 | 0 | 0 | 0 | 114.2 | D100 V103 I104 R133 W134 P140 | D100-L138 HydrophobicContact CB-CD1 4.08Å; D100-L138 HydrophobicContact CB-CD2 3.74Å; V103-L138 HydrophobicContact CB-CD1 3.76Å; V103-L138 HydrophobicContact CG1-CD1 3.67Å; I104-L138 HydrophobicContact CD1-CB 4.48Å; I104-L138 HydrophobicContact CD1-CD2 4.49Å; I104-L138 HydrophobicContact CG1-CB 4.09Å; I104-L138 HydrophobicContact CG1-CD1 4.36Å; R133-L138 HydrophobicContact CG-CD1 3.78Å; R133-L138 HydrophobicContact CG-CG 4.07Å; R133-L138 PolarHBondContact O-N 2.99Å; W134-L138 HydrophobicContact CE3-CB 3.76Å; W134-L138 HydrophobicContact CZ3-CB 4.19Å; W134-L138 PolarHBondContact O-N 3.12Å; W134-L138 VanDerWaalsContact O-N 3.14Å; L138-P140 WeakPolarHBondContact O-CD 3.48Å |
| 139 | N | 90.6 | Very high | 92 | Very high | 24 Ų | 24 | 71.5 Ų | 71.5 | 13% | 0.128 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -58.3 | 122.3 | 173.2 | -177.9 | 6.1 | 0 | 0 | 0 | 110.2 | W134 E141 V142 | W134-N139 HydrophobicContact CD2-CB 4.34Å; W134-N139 HydrophobicContact CZ2-CB 4.02Å; W134-N139 WeakPolarHBondContact O-CB 3.28Å; W134-N139 PolarHBondContact O-N 2.87Å; N139-E141 PolarHBondContact ND2-OE2 2.75Å; N139-E141 PolarHBondContact O-N 3.19Å; N139-E141 VanDerWaalsContact O-N 3.11Å; N139-E141 WeakPolarHBondContact OD1-CG 3.39Å; N139-E141 PolarHBondContact OD1-N 3.3Å; N139-E141 PolarHBondContact OD1-OE2 3.21Å; N139-V142 HydrophobicContact CB-CG2 4.07Å; N139-V142 WeakPolarHBondContact O-CB 3.39Å; N139-V142 PolarHBondContact O-N 2.9Å |
| 140 | P | 89.4 | Confident | 92 | Very high | 116 Ų | 116 | 73.4 Ų | 73.4 | 75% | 0.753 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -23.8 | 179 | -27.7 | 36.7 | 0 | 0 | 0 | 114.8 | L138 V142 | L138-P140 WeakPolarHBondContact O-CD 3.48Å; P140-V142 PolarHBondContact O-N 3.32Å |
| 141 | E | 87.9 | Confident | 92 | Very high | 144 Ų | 144 | 74.3 Ų | 74.3 | 67% | 0.673 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -16.7 | 176.4 | -58.8 | 172.6 | 146 | 0 | 0 | 113.4 | N139 K143 G175 | N139-E141 PolarHBondContact ND2-OE2 2.75Å; N139-E141 PolarHBondContact O-N 3.19Å; N139-E141 VanDerWaalsContact O-N 3.11Å; N139-E141 WeakPolarHBondContact OD1-CG 3.39Å; N139-E141 PolarHBondContact OD1-N 3.3Å; N139-E141 PolarHBondContact OD1-OE2 3.21Å; E141-K143 PolarHBondContact O-N 2.84Å; E141-G175 WeakPolarHBondContact O-CA 3.18Å |
| 142 | V | 90.6 | Very high | 91.9 | Very high | 20 Ų | 20 | 68.9 Ų | 68.9 | 12% | 0.121 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -82 | 110.2 | -175.8 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | H135 N139 P140 K144 G175 T177 | H135-V142 WeakPolarHBondContact O-CG2 3.03Å; N139-V142 HydrophobicContact CB-CG2 4.07Å; N139-V142 WeakPolarHBondContact O-CB 3.39Å; N139-V142 PolarHBondContact O-N 2.9Å; P140-V142 PolarHBondContact O-N 3.32Å; V142-K144 PolarHBondContact O-N 2.9Å; V142-G175 WeakPolarHBondContact CA-O 3.45Å; V142-T177 HydrophobicContact CG1-CG2 4.04Å; V142-T177 HydrophobicContact CG2-CG2 3.79Å |
| 143 | K | 86.3 | Confident | 91.9 | Very high | 98 Ų | 98 | 68 Ų | 68 | 43% | 0.426 | 34% | 0.339 | S | S | . | . | trans | -66.5 | 116.3 | 176.3 | -72.3 | 175.2 | 176.5 | 168.2 | 0 | 111.5 | E141 P174 G175 R176 | E141-K143 PolarHBondContact O-N 2.84Å; K143-P174 WeakPolarHBondContact CD-O 3.34Å; K143-P174 WeakPolarHBondContact CE-O 3.34Å; K143-P174 PolarHBondContact NZ-O 3.37Å; K143-G175 PolarHBondContact N-O 3.18Å; K143-R176 PolarHBondContact O-NH1 2.91Å | ||
| 144 | K | 89.3 | Confident | 92 | Very high | 158 Ų | 158 | 68.7 Ų | 68.7 | 69% | 0.687 | 35% | 0.346 | S | S | * | . | trans | -96.3 | 9.2 | 177.2 | -65.9 | 164.8 | -173.9 | 173.1 | 0 | 113.2 | H137 V142 | H137-K144 WeakPolarHBondContact O-CE 3.37Å; H137-K144 PolarHBondContact O-NZ 3.33Å; V142-K144 PolarHBondContact O-N 2.9Å | ||
| 145 | T | 89.3 | Confident | 92 | Very high | 88 Ų | 88 | 67.3 Ų | 67.3 | 54% | 0.54 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -66.7 | 159.7 | 174.4 | 49 | 0 | 0 | 0 | 0 | 111.8 | R176 | T145-R176 PolarHBondContact O-NH1 3.47Å; T145-R176 PolarHBondContact O-NH2 2.79Å; T145-R176 PolarHBondContact OG1-NH2 3.26Å |
| 146 | S | 91.5 | Very high | 92 | Very high | 101 Ų | 101 | 66 Ų | 66 | 71% | 0.706 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 153.7 | 163.6 | 45.3 | 0 | 0 | 0 | 0 | 111.3 | R176 | S146-R176 PolarHBondContact O-NH2 3.35Š|
| 147 | W | 94.1 | Very high | 92.1 | Very high | 69 Ų | 69 | 68.9 Ų | 68.9 | 26% | 0.261 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 139.9 | 171.4 | -64.9 | 99.4 | 0 | 0 | 0 | 110.2 | E151 I155 R176 A180 I181 H184 | W147-E151 WeakPolarHBondContact CA-OE2 3.19Å; W147-E151 HydrophobicContact CE3-CB 4.11Å; W147-I155 HydrophobicContact CE3-CD1 4.09Å; W147-I155 HydrophobicContact CH2-CD1 4.36Å; W147-I155 HydrophobicContact CZ3-CD1 3.75Å; W147-R176 HydrophobicContact CH2-CB 4.14Å; W147-R176 HydrophobicContact CH2-CG 4.01Å; W147-R176 HydrophobicContact CZ3-CB 4.22Å; W147-R176 HydrophobicContact CZ3-CG 3.7Å; W147-A180 HydrophobicContact CH2-CB 4.16Å; W147-A180 HydrophobicContact CZ2-CB 3.96Å; W147-A180 WeakPolarHBondContact CZ2-O 3.43Å; W147-I181 HydrophobicContact CH2-CG1 3.88Å; W147-I181 HydrophobicContact CZ3-CG1 4.33Å; W147-H184 AromaticContact CD1-CD2 3.94Å; W147-H184 AromaticContact CD1-CE1 3.56Å; W147-H184 AromaticContact CD1-CG 3.65Å; W147-H184 AromaticContact CD1-ND1 3.44Å; W147-H184 AromaticContact CD1-NE2 3.88Å; W147-H184 HydrophobicContact CD2-CB 4.28Å; W147-H184 AromaticContact CD2-CD2 3.55Å; W147-H184 AromaticContact CD2-CG 3.83Å; W147-H184 AromaticContact CD2-NE2 3.89Å; W147-H184 AromaticContact CE2-CD2 3.75Å; W147-H184 AromaticContact CE2-CG 3.58Å; W147-H184 AromaticContact CE3-CD2 3.96Å; W147-H184 AromaticContact CG-CD2 3.7Å; W147-H184 AromaticContact CG-CE1 3.66Å; W147-H184 AromaticContact CG-CG 3.9Å; W147-H184 AromaticContact CG-ND1 3.91Å; W147-H184 AromaticContact CG-NE2 3.55Å; W147-H184 HydrophobicContact CH2-CB 4.43Å; W147-H184 HydrophobicContact CZ2-CB 3.65Å; W147-H184 AromaticContact NE1-CD2 3.97Å; W147-H184 AromaticContact NE1-CG 3.46Å; W147-H184 AromaticContact NE1-ND1 3.62Å |
| 148 | T | 93.8 | Very high | 92.4 | Very high | 59 Ų | 59 | 65.2 Ų | 65.2 | 36% | 0.362 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -102.6 | 159 | 173.3 | 88.3 | 0 | 0 | 0 | 0 | 111 | E150 E151 D152 | T148-E150 WeakPolarHBondContact CB-OE2 3.47Å; T148-E150 PolarHBondContact O-N 2.83Å; T148-E150 PolarHBondContact OG1-N 3.22Å; T148-E150 PolarHBondContact OG1-OE2 3.45Å; T148-E151 PolarHBondContact N-OE2 3.43Å; T148-E151 VanDerWaalsContact N-OE2 3.09Å; T148-E151 WeakPolarHBondContact O-CB 3.08Å; T148-E151 PolarHBondContact O-N 3.08Å; T148-E151 VanDerWaalsContact O-N 3.1Å; T148-E151 PolarHBondContact OG1-N 3.44Å; T148-D152 PolarHBondContact O-N 3.45Å |
| 149 | E | 91.6 | Very high | 92.5 | Very high | 86 Ų | 86 | 65.9 Ų | 65.9 | 40% | 0.402 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66 | -26.3 | -179.4 | -156.7 | -169.3 | 122.7 | 0 | 0 | 111.9 | D152 R153 L199 | E149-D152 PolarHBondContact O-N 3.18Å; E149-R153 WeakPolarHBondContact O-CB 3.3Å; E149-R153 VanDerWaalsContact O-CG 3.25Å; E149-R153 WeakPolarHBondContact O-CG 3.04Å; E149-R153 PolarHBondContact O-N 2.97Å; E149-R153 IonicContact OE1-CZ 3.56Å; E149-R153 IonicContact OE1-NH1 2.82Å; E149-R153 PolarHBondContact OE1-NH1 3.34Å; E149-R153 IonicContact OE2-NH1 2.59Å; E149-L199 HydrophobicContact CG-CD2 3.64Å; E149-L199 WeakPolarHBondContact OE1-CD2 3.48Å |
| 150 | E | 93.5 | Very high | 92.7 | Very high | 97 Ų | 97 | 72 Ų | 72 | 45% | 0.453 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 171.9 | -60.6 | 57.5 | -124.5 | 0 | 0 | 110.9 | T148 R153 I154 | T148-E150 WeakPolarHBondContact CB-OE2 3.47Å; T148-E150 PolarHBondContact O-N 2.83Å; T148-E150 PolarHBondContact OG1-N 3.22Å; T148-E150 PolarHBondContact OG1-OE2 3.45Å; E150-R153 PolarHBondContact O-N 3.23Å; E150-R153 IonicContact OE1-CZ 2.74Å; E150-R153 IonicContact OE1-NH1 2.59Å; E150-R153 IonicContact OE1-NH2 2.69Å; E150-R153 PolarHBondContact OE1-NH2 2.95Å; E150-I154 WeakPolarHBondContact O-CD1 3.43Å; E150-I154 VanDerWaalsContact O-CG1 3.28Å; E150-I154 WeakPolarHBondContact O-CG1 3.25Å; E150-I154 PolarHBondContact O-N 3.18Å |
| 151 | E | 95.3 | Very high | 93 | Very high | 20 Ų | 20 | 75.2 Ų | 75.2 | 9% | 0.093 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.7 | -45.2 | 176.1 | -63.6 | -179.5 | 123 | 0 | 0 | 110.4 | W147 T148 R153 I154 I155 L173 R176 | W147-E151 WeakPolarHBondContact CA-OE2 3.19Å; W147-E151 HydrophobicContact CE3-CB 4.11Å; T148-E151 PolarHBondContact N-OE2 3.43Å; T148-E151 VanDerWaalsContact N-OE2 3.09Å; T148-E151 WeakPolarHBondContact O-CB 3.08Å; T148-E151 PolarHBondContact O-N 3.08Å; T148-E151 VanDerWaalsContact O-N 3.1Å; T148-E151 PolarHBondContact OG1-N 3.44Å; E151-R153 PolarHBondContact O-N 3.19Å; E151-I154 CarbonylContact O-C 3.59Å; E151-I154 WeakPolarHBondContact O-CB 3.17Å; E151-I154 PolarHBondContact O-N 3.13Å; E151-I154 VanDerWaalsContact O-N 3.16Å; E151-I155 VanDerWaalsContact O-CG1 3.28Å; E151-I155 WeakPolarHBondContact O-CG1 3.4Å; E151-I155 PolarHBondContact O-N 3.27Å; E151-L173 HydrophobicContact CB-CD2 3.96Å; E151-L173 HydrophobicContact CG-CD2 4.01Å; E151-R176 WeakPolarHBondContact OE1-CG 3.34Å; E151-R176 IonicContact OE1-CZ 2.7Å; E151-R176 IonicContact OE1-NE 2.69Å; E151-R176 PolarHBondContact OE1-NE 3.49Å; E151-R176 IonicContact OE1-NH2 3.71Å; E151-R176 PolarHBondContact OE1-NH2 2.94Å; E151-R176 IonicContact OE2-CZ 2.88Å; E151-R176 IonicContact OE2-NE 3.62Å; E151-R176 PolarHBondContact OE2-NE 3.16Å; E151-R176 IonicContact OE2-NH2 3.83Å; E151-R176 PolarHBondContact OE2-NH2 2.93Å |
| 152 | D | 94.6 | Very high | 93.3 | Very high | 10 Ų | 10 | 70.9 Ų | 70.9 | 5% | 0.053 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 176.7 | -78.3 | 28.5 | 0 | 0 | 0 | 111.8 | T148 E149 I154 I155 Y156 H184 M189 L199 | T148-D152 PolarHBondContact O-N 3.45Å; E149-D152 PolarHBondContact O-N 3.18Å; D152-I154 VanDerWaalsContact C-N 3.32Å; D152-I154 PolarHBondContact O-N 2.89Å; D152-I155 PolarHBondContact O-N 3.07Å; D152-Y156 WeakPolarHBondContact O-CB 3.42Å; D152-Y156 PolarHBondContact O-N 2.79Å; D152-H184 VanDerWaalsContact CG-NE2 3.28Å; D152-H184 IonicContact OD1-CD2 2.69Å; D152-H184 PolarHBondContact OD1-CD2 3.5Å; D152-H184 IonicContact OD1-CE1 3.5Å; D152-H184 IonicContact OD1-NE2 3.12Å; D152-H184 PolarHBondContact OD1-NE2 3.11Å; D152-H184 IonicContact OD2-CE1 3.53Å; D152-H184 IonicContact OD2-NE2 3.18Å; D152-H184 PolarHBondContact OD2-NE2 3.04Å; D152-H184 VanDerWaalsContact OD2-NE2 3.14Å; D152-M189 HydrophobicContact CB-CE 3.61Å; D152-M189 HydrophobicContact CB-SD 4.08Å; D152-M189 WeakPolarHBondContact O-CE 3.41Å; D152-L199 HydrophobicContact CB-CD1 3.64Å |
| 153 | R | 94.4 | Very high | 93.5 | Very high | 73 Ų | 73 | 71.3 Ų | 71.3 | 28% | 0.275 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 174.6 | -74.5 | -175.2 | -53.7 | -103 | -0.1 | 111.3 | E149 E150 E151 Q157 L199 | E149-R153 WeakPolarHBondContact O-CB 3.3Å; E149-R153 VanDerWaalsContact O-CG 3.25Å; E149-R153 WeakPolarHBondContact O-CG 3.04Å; E149-R153 PolarHBondContact O-N 2.97Å; E149-R153 IonicContact OE1-CZ 3.56Å; E149-R153 IonicContact OE1-NH1 2.82Å; E149-R153 PolarHBondContact OE1-NH1 3.34Å; E149-R153 IonicContact OE2-NH1 2.59Å; E150-R153 PolarHBondContact O-N 3.23Å; E150-R153 IonicContact OE1-CZ 2.74Å; E150-R153 IonicContact OE1-NH1 2.59Å; E150-R153 IonicContact OE1-NH2 2.69Å; E150-R153 PolarHBondContact OE1-NH2 2.95Å; E151-R153 PolarHBondContact O-N 3.19Å; R153-Q157 WeakPolarHBondContact O-CB 3.28Å; R153-Q157 WeakPolarHBondContact O-CG 3.42Å; R153-Q157 PolarHBondContact O-N 2.97Å; R153-L199 HydrophobicContact CB-CD1 4.47Å; R153-L199 HydrophobicContact CG-CB 4.19Å; R153-L199 HydrophobicContact CG-CD1 3.8Å; R153-L199 HydrophobicContact CG-CD2 3.77Å; R153-L199 HydrophobicContact CG-CG 4.12Å |
| 154 | I | 95.4 | Very high | 93.9 | Very high | 67 Ų | 67 | 71.9 Ų | 71.9 | 34% | 0.344 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.6 | -46.2 | 173.3 | -68.3 | 162.8 | 0 | 0 | 0 | 110.8 | E150 E151 D152 Y156 Q157 A158 L172 L173 | E150-I154 WeakPolarHBondContact O-CD1 3.43Å; E150-I154 VanDerWaalsContact O-CG1 3.28Å; E150-I154 WeakPolarHBondContact O-CG1 3.25Å; E150-I154 PolarHBondContact O-N 3.18Å; E151-I154 CarbonylContact O-C 3.59Å; E151-I154 WeakPolarHBondContact O-CB 3.17Å; E151-I154 PolarHBondContact O-N 3.13Å; E151-I154 VanDerWaalsContact O-N 3.16Å; D152-I154 VanDerWaalsContact C-N 3.32Å; D152-I154 PolarHBondContact O-N 2.89Å; I154-Y156 PolarHBondContact O-N 3.5Å; I154-Q157 PolarHBondContact O-N 3.17Å; I154-A158 WeakPolarHBondContact O-CB 3.44Å; I154-A158 PolarHBondContact O-N 2.87Å; I154-L172 HydrophobicContact CG2-CB 3.85Å; I154-L172 HydrophobicContact CG2-CD1 4.48Å; I154-L173 HydrophobicContact CB-CD2 3.92Å; I154-L173 HydrophobicContact CD1-CD2 4Å; I154-L173 HydrophobicContact CG2-CD1 4.27Å; I154-L173 HydrophobicContact CG2-CD2 3.69Å; I154-L173 HydrophobicContact CG2-CG 3.84Å |
| 155 | I | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.7 | -48.5 | 178.1 | -65.6 | 168.2 | 0 | 0 | 0 | 110.3 | W147 E151 D152 A158 H159 L173 I181 W185 M189 | W147-I155 HydrophobicContact CE3-CD1 4.09Å; W147-I155 HydrophobicContact CH2-CD1 4.36Å; W147-I155 HydrophobicContact CZ3-CD1 3.75Å; E151-I155 VanDerWaalsContact O-CG1 3.28Å; E151-I155 WeakPolarHBondContact O-CG1 3.4Å; E151-I155 PolarHBondContact O-N 3.27Å; D152-I155 PolarHBondContact O-N 3.07Å; I155-A158 PolarHBondContact O-N 2.88Å; I155-H159 WeakPolarHBondContact O-CB 3.42Å; I155-H159 PolarHBondContact O-N 3.27Å; I155-L173 HydrophobicContact CD1-CD1 4.13Å; I155-L173 HydrophobicContact CG1-CD1 3.47Å; I155-L173 VanDerWaalsContact CG1-CD1 3.47Å; I155-I181 HydrophobicContact CD1-CG2 4.08Å; I155-I181 HydrophobicContact CG1-CG2 3.95Å; I155-I181 HydrophobicContact CG2-CG2 4.06Å; I155-W185 HydrophobicContact CG2-CE3 3.81Å; I155-W185 HydrophobicContact CG2-CZ3 4.41Å; I155-M189 HydrophobicContact CB-SD 3.8Å; I155-M189 HydrophobicContact CD1-SD 4.28Å; I155-M189 HydrophobicContact CG2-SD 3.61Å |
| 156 | Y | 94.3 | Very high | 94.6 | Very high | 32 Ų | 32 | 68.8 Ų | 68.8 | 13% | 0.125 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.3 | -49.6 | 179.8 | 174.1 | -114.6 | 0 | 0 | 0 | 112 | D152 I154 A158 H159 K160 W185 V193 L199 | D152-Y156 WeakPolarHBondContact O-CB 3.42Å; D152-Y156 PolarHBondContact O-N 2.79Å; I154-Y156 PolarHBondContact O-N 3.5Å; Y156-A158 PolarHBondContact O-N 2.88Å; Y156-H159 PolarHBondContact O-N 2.84Å; Y156-K160 HydrophobicContact CE1-CD 4.39Å; Y156-K160 VanDerWaalsContact O-CB 3.24Å; Y156-K160 WeakPolarHBondContact O-CB 3.29Å; Y156-K160 PolarHBondContact O-N 3.27Å; Y156-K160 PolarHBondContact OH-NZ 3.17Å; Y156-W185 HydrophobicContact CD2-CH2 4.34Å; Y156-W185 HydrophobicContact CD2-CZ3 4.41Å; Y156-V193 HydrophobicContact CD2-CG1 3.76Å; Y156-V193 HydrophobicContact CD2-CG2 3.96Å; Y156-V193 HydrophobicContact CE2-CG1 3.43Å; Y156-V193 VanDerWaalsContact CE2-CG1 3.43Å; Y156-V193 HydrophobicContact CE2-CG2 4.41Å; Y156-L199 HydrophobicContact CD1-CB 4.31Å |
| 157 | Q | 94.6 | Very high | 94.8 | Very high | 81 Ų | 81 | 66.8 Ų | 66.8 | 38% | 0.379 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 178.9 | -70.7 | -171.6 | 35.7 | 0 | 0 | 112.4 | R153 I154 R161 | R153-Q157 WeakPolarHBondContact O-CB 3.28Å; R153-Q157 WeakPolarHBondContact O-CG 3.42Å; R153-Q157 PolarHBondContact O-N 2.97Å; I154-Q157 PolarHBondContact O-N 3.17Å; Q157-R161 VanDerWaalsContact O-CG 3.29Å; Q157-R161 WeakPolarHBondContact O-CG 3.08Å; Q157-R161 PolarHBondContact O-N 3.35Å |
| 158 | A | 95.9 | Very high | 94.9 | Very high | 6 Ų | 6 | 67.5 Ų | 67.5 | 5% | 0.05 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -71.1 | -41.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I154 I155 Y156 R161 L162 I169 L172 | I154-A158 WeakPolarHBondContact O-CB 3.44Å; I154-A158 PolarHBondContact O-N 2.87Å; I155-A158 PolarHBondContact O-N 2.88Å; Y156-A158 PolarHBondContact O-N 2.88Å; A158-R161 CarbonylContact O-C 3.58Å; A158-R161 PolarHBondContact O-N 3.24Å; A158-L162 WeakPolarHBondContact O-CA 3.19Å; A158-L162 WeakPolarHBondContact O-CB 3.43Å; A158-L162 WeakPolarHBondContact O-CG 3.33Å; A158-L162 PolarHBondContact O-N 2.89Å; A158-I169 HydrophobicContact CB-CB 4.4Å; A158-I169 HydrophobicContact CB-CD1 4.42Å; A158-I169 HydrophobicContact CB-CG1 3.93Å; A158-I169 HydrophobicContact CB-CG2 3.92Å; A158-L172 HydrophobicContact CB-CD1 3.68Å |
| 159 | H | 95.3 | Very high | 95 | Very high | 34 Ų | 34 | 64.7 Ų | 64.7 | 16% | 0.157 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 174.4 | -171.5 | -86.8 | 0 | 0 | 0 | 111.6 | I155 Y156 R161 L162 G163 N164 W166 I169 W185 | I155-H159 WeakPolarHBondContact O-CB 3.42Å; I155-H159 PolarHBondContact O-N 3.27Å; Y156-H159 PolarHBondContact O-N 2.84Å; H159-R161 PolarHBondContact O-N 3.04Å; H159-L162 PolarHBondContact O-N 3.14Å; H159-G163 PolarHBondContact CD2-O 2.89Å; H159-G163 VanDerWaalsContact CD2-O 3.32Å; H159-G163 VanDerWaalsContact O-CA 3.28Å; H159-G163 WeakPolarHBondContact O-CA 3.21Å; H159-G163 PolarHBondContact O-N 3.4Å; H159-N164 PolarHBondContact NE2-OD1 2.79Å; H159-W166 AromaticContact CD2-CH2 3.43Å; H159-W166 VanDerWaalsContact CD2-CH2 3.43Å; H159-W166 WeakPolarHBondContact CD2-CH2 3.49Å; H159-W166 AromaticContact CD2-CZ3 3.74Å; H159-W166 AromaticContact NE2-CH2 3.72Å; H159-I169 HydrophobicContact CB-CD1 4.24Å; H159-W185 HydrophobicContact CB-CH2 4.28Å; H159-W185 HydrophobicContact CB-CZ3 4.2Å; H159-W185 AromaticContact CE1-CE2 3.83Å; H159-W185 AromaticContact CE1-CZ2 3.55Å; H159-W185 AromaticContact CG-CH2 3.97Å; H159-W185 AromaticContact CG-CZ2 3.93Å; H159-W185 AromaticContact ND1-CE2 3.99Å; H159-W185 AromaticContact ND1-CH2 3.67Å; H159-W185 AromaticContact ND1-CZ2 3.45Å; H159-W185 WeakPolarHBondContact ND1-CZ2 3.32Å; H159-W185 AromaticContact NE2-CE2 3.91Å; H159-W185 AromaticContact NE2-NE1 3.92Å |
| 160 | K | 93.9 | Very high | 95.2 | Very high | 152 Ų | 152 | 61.6 Ų | 61.6 | 66% | 0.661 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -60 | -28.2 | 174.1 | -171.2 | 171.8 | -173.1 | 169.3 | 0 | 113.6 | Y156 | Y156-K160 HydrophobicContact CE1-CD 4.39Å; Y156-K160 VanDerWaalsContact O-CB 3.24Å; Y156-K160 WeakPolarHBondContact O-CB 3.29Å; Y156-K160 PolarHBondContact O-N 3.27Å; Y156-K160 PolarHBondContact OH-NZ 3.17Å |
| 161 | R | 95.5 | Very high | 95.3 | Very high | 184 Ų | 184 | 63.6 Ų | 63.6 | 69% | 0.694 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -94.3 | -29.5 | 177.3 | -67.1 | 173.4 | -168.9 | 166.4 | 10.8 | 113.9 | Q157 A158 H159 | Q157-R161 VanDerWaalsContact O-CG 3.29Å; Q157-R161 WeakPolarHBondContact O-CG 3.08Å; Q157-R161 PolarHBondContact O-N 3.35Å; A158-R161 CarbonylContact O-C 3.58Å; A158-R161 PolarHBondContact O-N 3.24Å; H159-R161 PolarHBondContact O-N 3.04Å |
| 162 | L | 95 | Very high | 95.2 | Very high | 54 Ų | 54 | 67 Ų | 67 | 28% | 0.283 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -120.6 | -11 | -166.4 | -57 | 178.4 | 0 | 0 | 0 | 114.5 | A158 H159 R165 E168 I169 | A158-L162 WeakPolarHBondContact O-CA 3.19Å; A158-L162 WeakPolarHBondContact O-CB 3.43Å; A158-L162 WeakPolarHBondContact O-CG 3.33Å; A158-L162 PolarHBondContact O-N 2.89Å; H159-L162 PolarHBondContact O-N 3.14Å; L162-R165 HydrophobicContact CB-CB 4.28Å; L162-R165 WeakPolarHBondContact O-CG 3.26Å; L162-R165 PolarHBondContact O-NE 3.4Å; L162-E168 HydrophobicContact CD1-CB 4.08Å; L162-I169 HydrophobicContact CD1-CG1 4.3Å |
| 163 | G | 94.1 | Very high | 95.2 | Very high | 29 Ų | 29 | 66.8 Ų | 66.8 | 30% | 0.299 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 59.2 | -147.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | H159 R165 | H159-G163 PolarHBondContact CD2-O 2.89Å; H159-G163 VanDerWaalsContact CD2-O 3.32Å; H159-G163 VanDerWaalsContact O-CA 3.28Å; H159-G163 WeakPolarHBondContact O-CA 3.21Å; H159-G163 PolarHBondContact O-N 3.4Å; G163-R165 PolarHBondContact O-N 3.27Å |
| 164 | N | 95.6 | Very high | 95 | Very high | 110 Ų | 110 | 67.9 Ų | 67.9 | 59% | 0.588 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -72.5 | 28.8 | -177.2 | -61.5 | -24.2 | 0 | 0 | 0 | 114.5 | H159 W166 | H159-N164 PolarHBondContact NE2-OD1 2.79Å; N164-W166 HydrophobicContact CB-CZ2 3.94Å; N164-W166 PolarHBondContact O-N 2.96Å; N164-W166 PolarHBondContact O-NE1 3.13Å; N164-W166 WeakPolarHBondContact OD1-CZ2 3.31Å |
| 165 | R | 96.1 | Very high | 94.8 | Very high | 146 Ų | 146 | 66 Ų | 66 | 55% | 0.551 | 33% | 0.332 | S | S | * | . | trans | -81.7 | 60.8 | 177.4 | -72.4 | -173.1 | -80.6 | -154.5 | 2.1 | 111 | L162 G163 A167 E168 I169 | L162-R165 HydrophobicContact CB-CB 4.28Å; L162-R165 WeakPolarHBondContact O-CG 3.26Å; L162-R165 PolarHBondContact O-NE 3.4Å; G163-R165 PolarHBondContact O-N 3.27Å; R165-A167 VanDerWaalsContact C-N 3.26Å; R165-A167 PolarHBondContact O-N 3.47Å; R165-A167 VanDerWaalsContact O-N 3.13Å; R165-E168 HydrophobicContact CB-CB 4.24Å; R165-E168 HydrophobicContact CB-CG 4.22Å; R165-E168 WeakPolarHBondContact O-CB 3.49Å; R165-E168 PolarHBondContact O-N 2.85Å; R165-I169 PolarHBondContact O-N 3.01Å; R165-I169 VanDerWaalsContact O-N 3.12Å | ||
| 166 | W | 96.1 | Very high | 94.7 | Very high | 34 Ų | 34 | 66.8 Ų | 66.8 | 13% | 0.129 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -53 | -37.6 | -171.7 | -52.1 | 116.9 | 0 | 0 | 0 | 114.4 | H159 N164 E168 I169 A170 D178 I181 K182 W185 | H159-W166 AromaticContact CD2-CH2 3.43Å; H159-W166 VanDerWaalsContact CD2-CH2 3.43Å; H159-W166 WeakPolarHBondContact CD2-CH2 3.49Å; H159-W166 AromaticContact CD2-CZ3 3.74Å; H159-W166 AromaticContact NE2-CH2 3.72Å; N164-W166 HydrophobicContact CB-CZ2 3.94Å; N164-W166 PolarHBondContact O-N 2.96Å; N164-W166 PolarHBondContact O-NE1 3.13Å; N164-W166 WeakPolarHBondContact OD1-CZ2 3.31Å; W166-E168 VanDerWaalsContact C-N 3.31Å; W166-E168 PolarHBondContact O-N 3.45Å; W166-I169 HydrophobicContact CE3-CD1 3.99Å; W166-I169 HydrophobicContact CZ3-CD1 4.15Å; W166-I169 PolarHBondContact O-N 3.22Å; W166-A170 WeakPolarHBondContact O-CB 3.24Å; W166-A170 PolarHBondContact O-N 3.18Å; W166-D178 HydrophobicContact CB-CB 3.88Å; W166-I181 HydrophobicContact CE3-CG2 3.85Å; W166-I181 HydrophobicContact CZ3-CG2 4.15Å; W166-K182 HydrophobicContact CD2-CB 3.73Å; W166-K182 HydrophobicContact CD2-CG 4.25Å; W166-K182 HydrophobicContact CE3-CB 4.25Å; W166-K182 HydrophobicContact CG-CB 3.83Å; W166-K182 HydrophobicContact CG-CG 4.36Å; W166-K182 HydrophobicContact CZ2-CG 4.39Å; W166-W185 HydrophobicContact CH2-CB 3.77Å; W166-W185 AromaticContact CH2-CD1 3.56Å; W166-W185 HydrophobicContact CH2-CD2 4.25Å; W166-W185 AromaticContact CH2-CG 3.55Å; W166-W185 HydrophobicContact CH2-CG 3.55Å; W166-W185 HydrophobicContact CZ3-CB 3.94Å; W166-W185 HydrophobicContact CZ3-CG 4.07Å |
| 167 | A | 95.6 | Very high | 94.7 | Very high | 59 Ų | 59 | 66.2 Ų | 66.2 | 49% | 0.488 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.3 | -23.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R165 D178 | R165-A167 VanDerWaalsContact C-N 3.26Å; R165-A167 PolarHBondContact O-N 3.47Å; R165-A167 VanDerWaalsContact O-N 3.13Å; A167-D178 HydrophobicContact CB-CB 4.44Å |
| 168 | E | 96.1 | Very high | 94.7 | Very high | 84 Ų | 84 | 65.8 Ų | 65.8 | 39% | 0.393 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -81.6 | -39.8 | 171.1 | -61.9 | -55.9 | 130.8 | 0 | 0 | 110.9 | L162 R165 W166 A170 K171 | L162-E168 HydrophobicContact CD1-CB 4.08Å; R165-E168 HydrophobicContact CB-CB 4.24Å; R165-E168 HydrophobicContact CB-CG 4.22Å; R165-E168 WeakPolarHBondContact O-CB 3.49Å; R165-E168 PolarHBondContact O-N 2.85Å; W166-E168 VanDerWaalsContact C-N 3.31Å; W166-E168 PolarHBondContact O-N 3.45Å; E168-A170 VanDerWaalsContact C-N 3.28Å; E168-A170 PolarHBondContact O-N 2.75Å; E168-K171 WeakPolarHBondContact O-CB 3.43Å; E168-K171 PolarHBondContact O-N 3.27Å; E168-K171 VanDerWaalsContact O-N 3.17Å; E168-K171 WeakPolarHBondContact OE1-CE 3.16Å; E168-K171 IonicContact OE1-NZ 2.69Å; E168-K171 PolarHBondContact OE1-NZ 2.97Å; E168-K171 WeakPolarHBondContact OE2-CE 3.34Å; E168-K171 IonicContact OE2-NZ 3.74Å; E168-K171 PolarHBondContact OE2-NZ 3.06Å |
| 169 | I | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.8 | -36.8 | 175.5 | -56.4 | 175.2 | 0 | 0 | 0 | 110.7 | A158 H159 L162 R165 W166 K171 L172 L173 I181 | A158-I169 HydrophobicContact CB-CB 4.4Å; A158-I169 HydrophobicContact CB-CD1 4.42Å; A158-I169 HydrophobicContact CB-CG1 3.93Å; A158-I169 HydrophobicContact CB-CG2 3.92Å; H159-I169 HydrophobicContact CB-CD1 4.24Å; L162-I169 HydrophobicContact CD1-CG1 4.3Å; R165-I169 PolarHBondContact O-N 3.01Å; R165-I169 VanDerWaalsContact O-N 3.12Å; W166-I169 HydrophobicContact CE3-CD1 3.99Å; W166-I169 HydrophobicContact CZ3-CD1 4.15Å; W166-I169 PolarHBondContact O-N 3.22Å; I169-K171 VanDerWaalsContact C-N 3.25Å; I169-K171 PolarHBondContact O-N 2.97Å; I169-L172 WeakPolarHBondContact O-CB 3.23Å; I169-L172 PolarHBondContact O-N 3.42Å; I169-L173 HydrophobicContact CG2-CD1 4.1Å; I169-I181 HydrophobicContact CG2-CD1 4.38Å; I169-I181 HydrophobicContact CG2-CG2 3.94Å |
| 170 | A | 96 | Very high | 94.7 | Very high | 21 Ų | 21 | 66.6 Ų | 66.6 | 17% | 0.174 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -59.7 | -30.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | W166 E168 L172 L173 D178 I181 | W166-A170 WeakPolarHBondContact O-CB 3.24Å; W166-A170 PolarHBondContact O-N 3.18Å; E168-A170 VanDerWaalsContact C-N 3.28Å; E168-A170 PolarHBondContact O-N 2.75Å; A170-L172 PolarHBondContact O-N 3.13Å; A170-L173 CarbonylContact O-C 3.6Å; A170-L173 PolarHBondContact O-N 3.33Å; A170-L173 VanDerWaalsContact O-N 3.14Å; A170-D178 HydrophobicContact CB-CB 4.33Å; A170-I181 VanDerWaalsContact CA-CD1 3.46Å; A170-I181 HydrophobicContact CB-CD1 3.82Å |
| 171 | K | 95.4 | Very high | 94.7 | Very high | 140 Ų | 140 | 59.4 Ų | 59.4 | 61% | 0.609 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -66.8 | -21.3 | 176.1 | -59.5 | 174.5 | -167.8 | 170.5 | 0 | 112.8 | E168 I169 | E168-K171 WeakPolarHBondContact O-CB 3.43Å; E168-K171 PolarHBondContact O-N 3.27Å; E168-K171 VanDerWaalsContact O-N 3.17Å; E168-K171 WeakPolarHBondContact OE1-CE 3.16Å; E168-K171 IonicContact OE1-NZ 2.69Å; E168-K171 PolarHBondContact OE1-NZ 2.97Å; E168-K171 WeakPolarHBondContact OE2-CE 3.34Å; E168-K171 IonicContact OE2-NZ 3.74Å; E168-K171 PolarHBondContact OE2-NZ 3.06Å; I169-K171 VanDerWaalsContact C-N 3.25Å; I169-K171 PolarHBondContact O-N 2.97Å |
| 172 | L | 93.9 | Very high | 94.7 | Very high | 92 Ų | 92 | 53.8 Ų | 53.8 | 48% | 0.482 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -88 | -8.4 | 177.6 | -52.8 | 176.7 | 0 | 0 | 0 | 112.7 | I154 A158 I169 A170 | I154-L172 HydrophobicContact CG2-CB 3.85Å; I154-L172 HydrophobicContact CG2-CD1 4.48Å; A158-L172 HydrophobicContact CB-CD1 3.68Å; I169-L172 WeakPolarHBondContact O-CB 3.23Å; I169-L172 PolarHBondContact O-N 3.42Å; A170-L172 PolarHBondContact O-N 3.13Å |
| 173 | L | 93.6 | Very high | 94.7 | Very high | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -128.7 | 76.4 | -170.4 | -69.2 | 167.1 | 0 | 0 | 0 | 110 | E151 I154 I155 I169 A170 G175 R176 I181 | E151-L173 HydrophobicContact CB-CD2 3.96Å; E151-L173 HydrophobicContact CG-CD2 4.01Å; I154-L173 HydrophobicContact CB-CD2 3.92Å; I154-L173 HydrophobicContact CD1-CD2 4Å; I154-L173 HydrophobicContact CG2-CD1 4.27Å; I154-L173 HydrophobicContact CG2-CD2 3.69Å; I154-L173 HydrophobicContact CG2-CG 3.84Å; I155-L173 HydrophobicContact CD1-CD1 4.13Å; I155-L173 HydrophobicContact CG1-CD1 3.47Å; I155-L173 VanDerWaalsContact CG1-CD1 3.47Å; I169-L173 HydrophobicContact CG2-CD1 4.1Å; A170-L173 CarbonylContact O-C 3.6Å; A170-L173 PolarHBondContact O-N 3.33Å; A170-L173 VanDerWaalsContact O-N 3.14Å; L173-G175 PolarHBondContact O-N 2.83Å; L173-G175 VanDerWaalsContact O-N 3.11Å; L173-R176 HydrophobicContact CB-CB 3.92Å; L173-R176 HydrophobicContact CB-CG 4.16Å; L173-R176 PolarHBondContact O-N 2.72Å; L173-I181 HydrophobicContact CB-CD1 4.33Å; L173-I181 HydrophobicContact CD1-CD1 3.68Å; L173-I181 HydrophobicContact CD1-CG1 3.91Å |
| 174 | P | 90.9 | Very high | 94.7 | Very high | 96 Ų | 96 | 54.4 Ų | 54.4 | 62% | 0.623 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 118.9 | -171.8 | 22.4 | -33.3 | 0 | 0 | 0 | 111.4 | K143 | K143-P174 WeakPolarHBondContact CD-O 3.34Å; K143-P174 WeakPolarHBondContact CE-O 3.34Å; K143-P174 PolarHBondContact NZ-O 3.37Å |
| 175 | G | 90.5 | Very high | 94.7 | Very high | 26 Ų | 26 | 50 Ų | 50 | 27% | 0.268 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | 1.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | E141 V142 K143 L173 | E141-G175 WeakPolarHBondContact O-CA 3.18Å; V142-G175 WeakPolarHBondContact CA-O 3.45Å; K143-G175 PolarHBondContact N-O 3.18Å; L173-G175 PolarHBondContact O-N 2.83Å; L173-G175 VanDerWaalsContact O-N 3.11Å |
| 176 | R | 93.7 | Very high | 94.6 | Very high | 17 Ų | 17 | 47.1 Ų | 47.1 | 6% | 0.064 | 26% | 0.26 | C | S | . | . | trans | -101.7 | 137.5 | 168.7 | -59.5 | -61.7 | -169.2 | 172.7 | 12.8 | 110.1 | K143 T145 S146 W147 E151 L173 I181 | K143-R176 PolarHBondContact O-NH1 2.91Å; T145-R176 PolarHBondContact O-NH1 3.47Å; T145-R176 PolarHBondContact O-NH2 2.79Å; T145-R176 PolarHBondContact OG1-NH2 3.26Å; S146-R176 PolarHBondContact O-NH2 3.35Å; W147-R176 HydrophobicContact CH2-CB 4.14Å; W147-R176 HydrophobicContact CH2-CG 4.01Å; W147-R176 HydrophobicContact CZ3-CB 4.22Å; W147-R176 HydrophobicContact CZ3-CG 3.7Å; E151-R176 WeakPolarHBondContact OE1-CG 3.34Å; E151-R176 IonicContact OE1-CZ 2.7Å; E151-R176 IonicContact OE1-NE 2.69Å; E151-R176 PolarHBondContact OE1-NE 3.49Å; E151-R176 IonicContact OE1-NH2 3.71Å; E151-R176 PolarHBondContact OE1-NH2 2.94Å; E151-R176 IonicContact OE2-CZ 2.88Å; E151-R176 IonicContact OE2-NE 3.62Å; E151-R176 PolarHBondContact OE2-NE 3.16Å; E151-R176 IonicContact OE2-NH2 3.83Å; E151-R176 PolarHBondContact OE2-NH2 2.93Å; L173-R176 HydrophobicContact CB-CB 3.92Å; L173-R176 HydrophobicContact CB-CG 4.16Å; L173-R176 PolarHBondContact O-N 2.72Å; R176-I181 HydrophobicContact CB-CD1 4.17Å; R176-I181 HydrophobicContact CB-CG1 4.14Å | ||
| 177 | T | 95.5 | Very high | 94.4 | Very high | 20 Ų | 20 | 48.5 Ų | 48.5 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | trans | -89.7 | 155.8 | -179.8 | 71.4 | 0 | 0 | 0 | 0 | 111.4 | H135 N136 V142 N179 A180 I181 | H135-T177 VanDerWaalsContact O-CG2 3.28Å; H135-T177 WeakPolarHBondContact O-CG2 3.37Å; N136-T177 PolarHBondContact OD1-OG1 3.23Å; V142-T177 HydrophobicContact CG1-CG2 4.04Å; V142-T177 HydrophobicContact CG2-CG2 3.79Å; T177-N179 PolarHBondContact O-N 2.7Å; T177-A180 PolarHBondContact O-N 3.25Å; T177-A180 WeakPolarHBondContact OG1-CB 3.44Å; T177-A180 PolarHBondContact OG1-N 2.77Å; T177-A180 VanDerWaalsContact OG1-N 3.07Å; T177-I181 WeakPolarHBondContact O-CD1 3.19Å; T177-I181 WeakPolarHBondContact O-CG1 3.17Å; T177-I181 PolarHBondContact O-N 2.98Å | ||
| 178 | D | 94.8 | Very high | 94 | Very high | 72 Ų | 72 | 48 Ų | 48 | 39% | 0.385 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -54.9 | -39.2 | 173.8 | 70.3 | -56.4 | 0 | 0 | 0 | 111.5 | W166 A167 A170 K182 | W166-D178 HydrophobicContact CB-CB 3.88Å; A167-D178 HydrophobicContact CB-CB 4.44Å; A170-D178 HydrophobicContact CB-CB 4.33Å; D178-K182 WeakPolarHBondContact O-CB 3.45Å; D178-K182 PolarHBondContact O-N 3.2Å |
| 179 | N | 94.8 | Very high | 93.7 | Very high | 30 Ų | 30 | 44.1 Ų | 44.1 | 16% | 0.16 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.3 | -42.2 | 175.4 | -170 | 56.3 | 0 | 0 | 0 | 112.4 | N136 T177 K182 N183 | N136-N179 WeakPolarHBondContact OD1-CB 3.1Å; T177-N179 PolarHBondContact O-N 2.7Å; N179-K182 WeakPolarHBondContact OD1-CE 3.36Å; N179-K182 PolarHBondContact OD1-NZ 3.38Å; N179-N183 WeakPolarHBondContact O-CB 3.18Å; N179-N183 PolarHBondContact O-N 3.31Å; N179-N183 PolarHBondContact O-ND2 3.46Å; N179-N183 PolarHBondContact O-OD1 3.12Å |
| 180 | A | 94.8 | Very high | 93.2 | Very high | 28 Ų | 28 | 49.9 Ų | 49.9 | 23% | 0.231 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | W147 T177 N183 H184 | W147-A180 HydrophobicContact CH2-CB 4.16Å; W147-A180 HydrophobicContact CZ2-CB 3.96Å; W147-A180 WeakPolarHBondContact CZ2-O 3.43Å; T177-A180 PolarHBondContact O-N 3.25Å; T177-A180 WeakPolarHBondContact OG1-CB 3.44Å; T177-A180 PolarHBondContact OG1-N 2.77Å; T177-A180 VanDerWaalsContact OG1-N 3.07Å; A180-N183 PolarHBondContact O-N 2.76Å; A180-H184 PolarHBondContact O-N 3.16Å |
| 181 | I | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.7 | -48.8 | 178.8 | -64.1 | 157.9 | 0 | 0 | 0 | 110.8 | W147 I155 W166 I169 A170 L173 R176 T177 N183 H184 W185 | W147-I181 HydrophobicContact CH2-CG1 3.88Å; W147-I181 HydrophobicContact CZ3-CG1 4.33Å; I155-I181 HydrophobicContact CD1-CG2 4.08Å; I155-I181 HydrophobicContact CG1-CG2 3.95Å; I155-I181 HydrophobicContact CG2-CG2 4.06Å; W166-I181 HydrophobicContact CE3-CG2 3.85Å; W166-I181 HydrophobicContact CZ3-CG2 4.15Å; I169-I181 HydrophobicContact CG2-CD1 4.38Å; I169-I181 HydrophobicContact CG2-CG2 3.94Å; A170-I181 VanDerWaalsContact CA-CD1 3.46Å; A170-I181 HydrophobicContact CB-CD1 3.82Å; L173-I181 HydrophobicContact CB-CD1 4.33Å; L173-I181 HydrophobicContact CD1-CD1 3.68Å; L173-I181 HydrophobicContact CD1-CG1 3.91Å; R176-I181 HydrophobicContact CB-CD1 4.17Å; R176-I181 HydrophobicContact CB-CG1 4.14Å; T177-I181 WeakPolarHBondContact O-CD1 3.19Å; T177-I181 WeakPolarHBondContact O-CG1 3.17Å; T177-I181 PolarHBondContact O-N 2.98Å; I181-N183 VanDerWaalsContact C-N 3.28Å; I181-N183 PolarHBondContact O-N 3.24Å; I181-H184 PolarHBondContact O-N 2.9Å; I181-W185 WeakPolarHBondContact O-CB 3.47Å; I181-W185 PolarHBondContact O-N 2.88Å |
| 182 | K | 95.4 | Very high | 91.7 | Very high | 67 Ų | 67 | 53.5 Ų | 53.5 | 29% | 0.291 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -55.3 | -43 | 174.3 | 175.1 | -164 | 71.6 | -169.2 | 0 | 111.7 | W166 D178 N179 N186 | W166-K182 HydrophobicContact CD2-CB 3.73Å; W166-K182 HydrophobicContact CD2-CG 4.25Å; W166-K182 HydrophobicContact CE3-CB 4.25Å; W166-K182 HydrophobicContact CG-CB 3.83Å; W166-K182 HydrophobicContact CG-CG 4.36Å; W166-K182 HydrophobicContact CZ2-CG 4.39Å; D178-K182 WeakPolarHBondContact O-CB 3.45Å; D178-K182 PolarHBondContact O-N 3.2Å; N179-K182 WeakPolarHBondContact OD1-CE 3.36Å; N179-K182 PolarHBondContact OD1-NZ 3.38Å; K182-N186 PolarHBondContact O-N 2.83Å; K182-N186 PolarHBondContact O-ND2 3.44Å |
| 183 | N | 95 | Very high | 91 | Very high | 83 Ų | 83 | 50.1 Ų | 50.1 | 44% | 0.444 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.9 | -49.9 | -178.6 | -70.5 | -1.4 | 0 | 0 | 0 | 110.8 | N179 A180 I181 W185 N186 S187 | N179-N183 WeakPolarHBondContact O-CB 3.18Å; N179-N183 PolarHBondContact O-N 3.31Å; N179-N183 PolarHBondContact O-ND2 3.46Å; N179-N183 PolarHBondContact O-OD1 3.12Å; A180-N183 PolarHBondContact O-N 2.76Å; I181-N183 VanDerWaalsContact C-N 3.28Å; I181-N183 PolarHBondContact O-N 3.24Å; N183-W185 VanDerWaalsContact C-N 3.32Å; N183-W185 PolarHBondContact O-N 3.46Å; N183-N186 PolarHBondContact O-N 2.96Å; N183-N186 VanDerWaalsContact O-N 3.12Å; N183-S187 PolarHBondContact O-N 3.14Å; N183-S187 PolarHBondContact O-OG 2.94Å; N183-S187 VanDerWaalsContact O-OG 3.1Å |
| 184 | H | 94.4 | Very high | 90.1 | Very high | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.056 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.2 | -37.8 | 178.3 | -178.5 | 54.2 | 0 | 0 | 0 | 113.2 | W147 D152 A180 I181 N186 S187 T188 M189 | W147-H184 AromaticContact CD1-CD2 3.94Å; W147-H184 AromaticContact CD1-CE1 3.56Å; W147-H184 AromaticContact CD1-CG 3.65Å; W147-H184 AromaticContact CD1-ND1 3.44Å; W147-H184 AromaticContact CD1-NE2 3.88Å; W147-H184 HydrophobicContact CD2-CB 4.28Å; W147-H184 AromaticContact CD2-CD2 3.55Å; W147-H184 AromaticContact CD2-CG 3.83Å; W147-H184 AromaticContact CD2-NE2 3.89Å; W147-H184 AromaticContact CE2-CD2 3.75Å; W147-H184 AromaticContact CE2-CG 3.58Å; W147-H184 AromaticContact CE3-CD2 3.96Å; W147-H184 AromaticContact CG-CD2 3.7Å; W147-H184 AromaticContact CG-CE1 3.66Å; W147-H184 AromaticContact CG-CG 3.9Å; W147-H184 AromaticContact CG-ND1 3.91Å; W147-H184 AromaticContact CG-NE2 3.55Å; W147-H184 HydrophobicContact CH2-CB 4.43Å; W147-H184 HydrophobicContact CZ2-CB 3.65Å; W147-H184 AromaticContact NE1-CD2 3.97Å; W147-H184 AromaticContact NE1-CG 3.46Å; W147-H184 AromaticContact NE1-ND1 3.62Å; D152-H184 VanDerWaalsContact CG-NE2 3.28Å; D152-H184 IonicContact OD1-CD2 2.69Å; D152-H184 PolarHBondContact OD1-CD2 3.5Å; D152-H184 IonicContact OD1-CE1 3.5Å; D152-H184 IonicContact OD1-NE2 3.12Å; D152-H184 PolarHBondContact OD1-NE2 3.11Å; D152-H184 IonicContact OD2-CE1 3.53Å; D152-H184 IonicContact OD2-NE2 3.18Å; D152-H184 PolarHBondContact OD2-NE2 3.04Å; D152-H184 VanDerWaalsContact OD2-NE2 3.14Å; A180-H184 PolarHBondContact O-N 3.16Å; I181-H184 PolarHBondContact O-N 2.9Å; H184-N186 PolarHBondContact O-N 3.04Å; H184-S187 WeakPolarHBondContact CA-OG 3.46Å; H184-S187 PolarHBondContact O-OG 3.31Å; H184-T188 WeakPolarHBondContact ND1-CB 3.44Å; H184-T188 PolarHBondContact ND1-OG1 3.27Å; H184-T188 WeakPolarHBondContact O-CA 3.46Å; H184-T188 VanDerWaalsContact O-CB 3.27Å; H184-T188 WeakPolarHBondContact O-CB 3.35Å; H184-T188 PolarHBondContact O-N 3.4Å; H184-T188 PolarHBondContact O-OG1 2.74Å; H184-M189 PolarHBondContact O-N 3.47Å; H184-M189 VanDerWaalsContact O-N 3.12Å |
| 185 | W | 94.8 | Very high | 88.6 | Confident | 18 Ų | 18 | 58.9 Ų | 58.9 | 7% | 0.068 | 29% | 0.293 | C | S | . | . | I | π-helix | trans | -57.3 | -49.4 | 172.2 | 179 | -95.4 | 0 | 0 | 0 | 111.8 | I155 Y156 H159 W166 I181 N183 M189 R190 | I155-W185 HydrophobicContact CG2-CE3 3.81Å; I155-W185 HydrophobicContact CG2-CZ3 4.41Å; Y156-W185 HydrophobicContact CD2-CH2 4.34Å; Y156-W185 HydrophobicContact CD2-CZ3 4.41Å; H159-W185 HydrophobicContact CB-CH2 4.28Å; H159-W185 HydrophobicContact CB-CZ3 4.2Å; H159-W185 AromaticContact CE1-CE2 3.83Å; H159-W185 AromaticContact CE1-CZ2 3.55Å; H159-W185 AromaticContact CG-CH2 3.97Å; H159-W185 AromaticContact CG-CZ2 3.93Å; H159-W185 AromaticContact ND1-CE2 3.99Å; H159-W185 AromaticContact ND1-CH2 3.67Å; H159-W185 AromaticContact ND1-CZ2 3.45Å; H159-W185 WeakPolarHBondContact ND1-CZ2 3.32Å; H159-W185 AromaticContact NE2-CE2 3.91Å; H159-W185 AromaticContact NE2-NE1 3.92Å; W166-W185 HydrophobicContact CH2-CB 3.77Å; W166-W185 AromaticContact CH2-CD1 3.56Å; W166-W185 HydrophobicContact CH2-CD2 4.25Å; W166-W185 AromaticContact CH2-CG 3.55Å; W166-W185 HydrophobicContact CH2-CG 3.55Å; W166-W185 HydrophobicContact CZ3-CB 3.94Å; W166-W185 HydrophobicContact CZ3-CG 4.07Å; I181-W185 WeakPolarHBondContact O-CB 3.47Å; I181-W185 PolarHBondContact O-N 2.88Å; N183-W185 VanDerWaalsContact C-N 3.32Å; N183-W185 PolarHBondContact O-N 3.46Å; W185-M189 HydrophobicContact CD2-CB 4.3Å; W185-M189 HydrophobicContact CE3-CB 3.67Å; W185-M189 HydrophobicContact CE3-CG 4.3Å; W185-M189 HydrophobicContact CE3-SD 3.97Å; W185-M189 HydrophobicContact CZ3-CB 4.06Å; W185-M189 HydrophobicContact CZ3-SD 4.3Å; W185-M189 PolarHBondContact O-N 3.17Å; W185-R190 VanDerWaalsContact O-CB 3.28Å; W185-R190 WeakPolarHBondContact O-CB 3.47Å; W185-R190 PolarHBondContact O-N 2.89Å |
| 186 | N | 93.8 | Very high | 87 | Confident | 85 Ų | 85 | 63.9 Ų | 63.9 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | I | π-helix | trans | -76.5 | -33.8 | -175.7 | -72.3 | -63.5 | 0 | 0 | 0 | 113.6 | K182 N183 H184 | K182-N186 PolarHBondContact O-N 2.83Å; K182-N186 PolarHBondContact O-ND2 3.44Å; N183-N186 PolarHBondContact O-N 2.96Å; N183-N186 VanDerWaalsContact O-N 3.12Å; H184-N186 PolarHBondContact O-N 3.04Å |
| 187 | S | 91.2 | Very high | 85.6 | Confident | 64 Ų | 64 | 64.5 Ų | 64.5 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | I | π-helix | trans | -77 | -43.7 | 177.8 | 58.7 | 0 | 0 | 0 | 0 | 112.7 | N183 H184 R191 | N183-S187 PolarHBondContact O-N 3.14Å; N183-S187 PolarHBondContact O-OG 2.94Å; N183-S187 VanDerWaalsContact O-OG 3.1Å; H184-S187 WeakPolarHBondContact CA-OG 3.46Å; H184-S187 PolarHBondContact O-OG 3.31Å; S187-R191 PolarHBondContact O-NH2 2.82Å |
| 188 | T | 88.6 | Confident | 84.1 | Confident | 49 Ų | 49 | 66.8 Ų | 66.8 | 30% | 0.301 | 33% | 0.328 | S | S | . | . | I | π-helix | trans | -117.3 | -62.5 | -159.9 | -36 | 0 | 0 | 0 | 0 | 111.4 | H184 | H184-T188 WeakPolarHBondContact ND1-CB 3.44Å; H184-T188 PolarHBondContact ND1-OG1 3.27Å; H184-T188 WeakPolarHBondContact O-CA 3.46Å; H184-T188 VanDerWaalsContact O-CB 3.27Å; H184-T188 WeakPolarHBondContact O-CB 3.35Å; H184-T188 PolarHBondContact O-N 3.4Å; H184-T188 PolarHBondContact O-OG1 2.74Å |
| 189 | M | 88.8 | Confident | 82.7 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | I | π-helix | trans | -69.7 | -44 | -165.8 | -61.8 | -155 | 71.1 | 0 | 0 | 113.2 | D152 I155 H184 W185 R191 K192 V193 L199 | D152-M189 HydrophobicContact CB-CE 3.61Å; D152-M189 HydrophobicContact CB-SD 4.08Å; D152-M189 WeakPolarHBondContact O-CE 3.41Å; I155-M189 HydrophobicContact CB-SD 3.8Å; I155-M189 HydrophobicContact CD1-SD 4.28Å; I155-M189 HydrophobicContact CG2-SD 3.61Å; H184-M189 PolarHBondContact O-N 3.47Å; H184-M189 VanDerWaalsContact O-N 3.12Å; W185-M189 HydrophobicContact CD2-CB 4.3Å; W185-M189 HydrophobicContact CE3-CB 3.67Å; W185-M189 HydrophobicContact CE3-CG 4.3Å; W185-M189 HydrophobicContact CE3-SD 3.97Å; W185-M189 HydrophobicContact CZ3-CB 4.06Å; W185-M189 HydrophobicContact CZ3-SD 4.3Å; W185-M189 PolarHBondContact O-N 3.17Å; M189-R191 VanDerWaalsContact C-N 3.35Å; M189-R191 PolarHBondContact O-N 2.86Å; M189-K192 PolarHBondContact O-N 3.48Å; M189-K192 VanDerWaalsContact O-N 3.07Å; M189-V193 HydrophobicContact CB-CG2 4.47Å; M189-V193 HydrophobicContact CE-CG2 4.29Å; M189-V193 WeakPolarHBondContact O-CB 3.39Å; M189-V193 WeakPolarHBondContact O-CG2 3.45Å; M189-V193 PolarHBondContact O-N 3.25Å; M189-L199 HydrophobicContact CE-CD1 3.84Å |
| 190 | R | 85.4 | Confident | 81 | Confident | 122 Ų | 122 | 69.3 Ų | 69.3 | 46% | 0.46 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -52.7 | -49.7 | -169 | -174.6 | 176.3 | -175.1 | 179 | -0.3 | 112.7 | W185 E194 | W185-R190 VanDerWaalsContact O-CB 3.28Å; W185-R190 WeakPolarHBondContact O-CB 3.47Å; W185-R190 PolarHBondContact O-N 2.89Å; R190-E194 WeakPolarHBondContact CG-OE1 3.46Å; R190-E194 IonicContact NE-OE1 3.79Å; R190-E194 PolarHBondContact NE-OE1 3.49Å; R190-E194 VanDerWaalsContact NE-OE1 3.12Å; R190-E194 VanDerWaalsContact O-CB 3.28Å; R190-E194 WeakPolarHBondContact O-CB 3.06Å; R190-E194 WeakPolarHBondContact O-CG 3.38Å; R190-E194 PolarHBondContact O-N 3.14Å |
| 191 | R | 81.5 | Confident | 79.1 | Confident | 159 Ų | 159 | 74.5 Ų | 74.5 | 60% | 0.6 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -67.4 | -42.7 | 178.3 | -71.5 | -179.5 | -69.6 | 158.1 | 0.9 | 112.6 | S187 M189 V193 E194 Q195 | S187-R191 PolarHBondContact O-NH2 2.82Å; M189-R191 VanDerWaalsContact C-N 3.35Å; M189-R191 PolarHBondContact O-N 2.86Å; R191-V193 PolarHBondContact O-N 2.94Å; R191-E194 PolarHBondContact O-N 3.36Å; R191-Q195 WeakPolarHBondContact O-CB 3.28Å; R191-Q195 WeakPolarHBondContact O-CG 3.48Å; R191-Q195 PolarHBondContact O-N 3.11Å |
| 192 | K | 79.4 | Confident | 76.8 | Confident | 77 Ų | 77 | 79.9 Ų | 79.9 | 34% | 0.335 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 178.1 | -66.6 | -164.4 | 165.9 | -162.9 | 0 | 112.9 | M189 E196 Y198 | M189-K192 PolarHBondContact O-N 3.48Å; M189-K192 VanDerWaalsContact O-N 3.07Å; K192-E196 VanDerWaalsContact CG-OE2 3.27Å; K192-E196 WeakPolarHBondContact CG-OE2 3.28Å; K192-E196 WeakPolarHBondContact O-CA 3.49Å; K192-E196 WeakPolarHBondContact O-CB 3.4Å; K192-E196 PolarHBondContact O-N 2.98Å; K192-Y198 HydrophobicContact CB-CD1 4.08Å; K192-Y198 HydrophobicContact CB-CG 4.27Å; K192-Y198 HydrophobicContact CD-CD1 4.04Å; K192-Y198 HydrophobicContact CD-CE1 4.28Å; K192-Y198 HydrophobicContact CD-CG 4.44Å; K192-Y198 PolarHBondContact O-N 3.46Å |
| 193 | V | 78.2 | Confident | 74.5 | Confident | 21 Ų | 21 | 82.3 Ų | 82.3 | 13% | 0.127 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -67.2 | -38.9 | 176.8 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | Y156 M189 R191 | Y156-V193 HydrophobicContact CD2-CG1 3.76Å; Y156-V193 HydrophobicContact CD2-CG2 3.96Å; Y156-V193 HydrophobicContact CE2-CG1 3.43Å; Y156-V193 VanDerWaalsContact CE2-CG1 3.43Å; Y156-V193 HydrophobicContact CE2-CG2 4.41Å; M189-V193 HydrophobicContact CB-CG2 4.47Å; M189-V193 HydrophobicContact CE-CG2 4.29Å; M189-V193 WeakPolarHBondContact O-CB 3.39Å; M189-V193 WeakPolarHBondContact O-CG2 3.45Å; M189-V193 PolarHBondContact O-N 3.25Å; R191-V193 PolarHBondContact O-N 2.94Å |
| 194 | E | 74.7 | Confident | 72.3 | Confident | 129 Ų | 129 | 87.4 Ų | 87.4 | 60% | 0.603 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -78.9 | -29.3 | -179.7 | -71 | 168.8 | -170.1 | 0 | 0 | 113.4 | R190 R191 | R190-E194 WeakPolarHBondContact CG-OE1 3.46Å; R190-E194 IonicContact NE-OE1 3.79Å; R190-E194 PolarHBondContact NE-OE1 3.49Å; R190-E194 VanDerWaalsContact NE-OE1 3.12Å; R190-E194 VanDerWaalsContact O-CB 3.28Å; R190-E194 WeakPolarHBondContact O-CB 3.06Å; R190-E194 WeakPolarHBondContact O-CG 3.38Å; R190-E194 PolarHBondContact O-N 3.14Å; R191-E194 PolarHBondContact O-N 3.36Å |
| 195 | Q | 59.7 | Low | 69.8 | Low | 156 Ų | 156 | 91.6 Ų | 91.6 | 73% | 0.729 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -110.4 | -37.5 | -175 | -63.3 | -173.6 | -89.5 | 0 | 0 | 115.9 | R191 | R191-Q195 WeakPolarHBondContact O-CB 3.28Å; R191-Q195 WeakPolarHBondContact O-CG 3.48Å; R191-Q195 PolarHBondContact O-N 3.11Å |
| 196 | E | 57.8 | Low | 67.6 | Low | 131 Ų | 131 | 95.5 Ų | 95.5 | 61% | 0.612 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -103.3 | -4.1 | -167 | -56.4 | 179.2 | 150.6 | 0 | 0 | 113.1 | K192 Y198 | K192-E196 VanDerWaalsContact CG-OE2 3.27Å; K192-E196 WeakPolarHBondContact CG-OE2 3.28Å; K192-E196 WeakPolarHBondContact O-CA 3.49Å; K192-E196 WeakPolarHBondContact O-CB 3.4Å; K192-E196 PolarHBondContact O-N 2.98Å; E196-Y198 PolarHBondContact O-N 2.85Å |
| 197 | G | 63.6 | Low | 65.2 | Low | 30 Ų | 30 | 100.1 Ų | 100.1 | 31% | 0.309 | 52% | 0.521 | S | S | . | . | trans | 65.3 | 14.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L199 Q200 | G197-L199 PolarHBondContact O-N 3.49Å; G197-Q200 WeakPolarHBondContact O-CB 3.49Å; G197-Q200 WeakPolarHBondContact O-CG 3.34Å; G197-Q200 PolarHBondContact O-N 3Å | ||
| 198 | Y | 62.8 | Low | 62.6 | Low | 69 Ų | 69 | 103 Ų | 103 | 27% | 0.271 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 123.4 | -175.1 | -168.1 | -121 | 0 | 0 | 0 | 110.3 | K192 E196 Q200 | K192-Y198 HydrophobicContact CB-CD1 4.08Å; K192-Y198 HydrophobicContact CB-CG 4.27Å; K192-Y198 HydrophobicContact CD-CD1 4.04Å; K192-Y198 HydrophobicContact CD-CE1 4.28Å; K192-Y198 HydrophobicContact CD-CG 4.44Å; K192-Y198 PolarHBondContact O-N 3.46Å; E196-Y198 PolarHBondContact O-N 2.85Å; Y198-Q200 VanDerWaalsContact C-N 3.3Å; Y198-Q200 PolarHBondContact O-N 3.36Å |
| 199 | L | 65.9 | Low | 60.4 | Low | 28 Ų | 28 | 106.7 Ų | 106.7 | 15% | 0.147 | 56% | 0.561 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 68.4 | 18.1 | -177.8 | -40.8 | -179.6 | 0 | 0 | 0 | 115.7 | E149 D152 R153 Y156 M189 G197 E201 | E149-L199 HydrophobicContact CG-CD2 3.64Å; E149-L199 WeakPolarHBondContact OE1-CD2 3.48Å; D152-L199 HydrophobicContact CB-CD1 3.64Å; R153-L199 HydrophobicContact CB-CD1 4.47Å; R153-L199 HydrophobicContact CG-CB 4.19Å; R153-L199 HydrophobicContact CG-CD1 3.8Å; R153-L199 HydrophobicContact CG-CD2 3.77Å; R153-L199 HydrophobicContact CG-CG 4.12Å; Y156-L199 HydrophobicContact CD1-CB 4.31Å; M189-L199 HydrophobicContact CE-CD1 3.84Å; G197-L199 PolarHBondContact O-N 3.49Å; L199-E201 PolarHBondContact O-N 3Å |
| 200 | Q | 59.8 | Low | 58.1 | Low | 127 Ų | 127 | 112.4 Ų | 112.4 | 59% | 0.593 | 60% | 0.596 | S | S | * | * | trans | -75 | 108.2 | 155.8 | -64 | -168.2 | 34.5 | 0 | 0 | 109.3 | G197 Y198 | G197-Q200 WeakPolarHBondContact O-CB 3.49Å; G197-Q200 WeakPolarHBondContact O-CG 3.34Å; G197-Q200 PolarHBondContact O-N 3Å; Y198-Q200 VanDerWaalsContact C-N 3.3Å; Y198-Q200 PolarHBondContact O-N 3.36Å | ||
| 201 | E | 54.9 | Low | 56 | Low | 137 Ų | 137 | 110.8 Ų | 110.8 | 64% | 0.64 | 61% | 0.608 | S | S | * | * | trans | -48 | 126.9 | 165.9 | -75.7 | -69.8 | 160.4 | 0 | 0 | 110.3 | L199 S203 | L199-E201 PolarHBondContact O-N 3Å; E201-S203 PolarHBondContact O-N 3.25Å | ||
| 202 | P | 47.3 | Very low | 53.9 | Low | 113 Ų | 113 | 109.3 Ų | 109.3 | 73% | 0.734 | 62% | 0.617 | S | S | * | * | trans | -64.7 | 99.6 | 177.6 | 26.2 | -32.9 | 0 | 0 | 0 | 109 | K204 | P202-K204 PolarHBondContact O-N 2.81Š| ||
| 203 | S | 47.2 | Very low | 52 | Low | 117 Ų | 117 | 110.7 Ų | 110.7 | 82% | 0.818 | 64% | 0.636 | S | S | * | * | trans | -59.8 | 109.8 | -172.1 | -70.4 | 0 | 0 | 0 | 0 | 110.2 | E201 A205 | E201-S203 PolarHBondContact O-N 3.25Å; S203-A205 PolarHBondContact O-N 3.03Å | ||
| 204 | K | 48.5 | Very low | 50 | Low | 190 Ų | 190 | 119.4 Ų | 119.4 | 83% | 0.826 | 67% | 0.673 | S | S | * | * | trans | -17.5 | 93.9 | -167.5 | -69.9 | -172.2 | 176.7 | -175.7 | 0 | 114.9 | P202 S206 | P202-K204 PolarHBondContact O-N 2.81Å; K204-S206 PolarHBondContact O-N 3.22Å | ||
| 205 | A | 41.8 | Very low | 48.4 | Very low | 100 Ų | 100 | 122.2 Ų | 122.2 | 83% | 0.826 | 69% | 0.686 | S | S | * | * | trans | -73 | 58.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | S203 Q207 | S203-A205 PolarHBondContact O-N 3.03Å; A205-Q207 PolarHBondContact O-N 3.49Å | ||
| 206 | S | 49 | Very low | 47.4 | Very low | 101 Ų | 101 | 123.8 Ų | 123.8 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | trans | -78 | 55.4 | 175.7 | -64.7 | 0 | 0 | 0 | 0 | 111.4 | K204 | K204-S206 PolarHBondContact O-N 3.22Š| ||
| 207 | Q | 42.8 | Very low | 46.2 | Very low | 182 Ų | 182 | 124 Ų | 124 | 85% | 0.85 | 70% | 0.696 | S | S | * | * | trans | -133.1 | 102.6 | 161 | -71.9 | -165.1 | 49.2 | 0 | 0 | 108.2 | A205 P209 | A205-Q207 PolarHBondContact O-N 3.49Å; Q207-P209 WeakPolarHBondContact O-CD 3.41Å | ||
| 208 | T | 37.8 | Very low | 44.7 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 76% | 0.755 | 71% | 0.714 | S | S | * | * | trans | -65.7 | 124.9 | 169.5 | 37.8 | 0 | 0 | 0 | 0 | 109.4 | V210 | T208-V210 VanDerWaalsContact C-N 3.31Å; T208-V210 PolarHBondContact O-N 3.48Å | ||
| 209 | P | 42.3 | Very low | 43.6 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 83% | 0.831 | 74% | 0.738 | S | S | * | * | trans | -71.5 | 91.7 | 166.8 | 29.6 | -32 | 0 | 0 | 0 | 108.2 | Q207 A211 | Q207-P209 WeakPolarHBondContact O-CD 3.41Å; P209-A211 PolarHBondContact O-N 3.16Å; P209-A211 VanDerWaalsContact O-N 3.16Å | ||
| 210 | V | 40.3 | Very low | 42.2 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | trans | -64.2 | 115.9 | 174.5 | 180 | 0 | 0 | 0 | 0 | 108 | T208 T212 | T208-V210 VanDerWaalsContact C-N 3.31Å; T208-V210 PolarHBondContact O-N 3.48Å; V210-T212 PolarHBondContact O-N 3.02Å; V210-T212 VanDerWaalsContact O-N 3.16Å | ||
| 211 | A | 40 | Very low | 41.5 | Very low | 87 Ų | 87 | 142.1 Ų | 142.1 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | trans | -67.3 | 112.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | P209 S213 | P209-A211 PolarHBondContact O-N 3.16Å; P209-A211 VanDerWaalsContact O-N 3.16Å; A211-S213 VanDerWaalsContact C-N 3.28Å; A211-S213 PolarHBondContact O-N 3.43Å | ||
| 212 | T | 37.9 | Very low | 40.3 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -78.7 | 75.9 | 171.9 | 54 | 0 | 0 | 0 | 0 | 110.4 | V210 | V210-T212 PolarHBondContact O-N 3.02Å; V210-T212 VanDerWaalsContact O-N 3.16Å | ||
| 213 | S | 39.8 | Very low | 39.6 | Very low | 106 Ų | 106 | 142.9 Ų | 142.9 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -74.6 | 122.5 | 167.1 | 48.6 | 0 | 0 | 0 | 0 | 110.1 | A211 Q215 | A211-S213 VanDerWaalsContact C-N 3.28Å; A211-S213 PolarHBondContact O-N 3.43Å; S213-Q215 PolarHBondContact O-N 3.07Å | ||
| 214 | F | 36.2 | Very low | 38.9 | Very low | 205 Ų | 205 | 140.2 Ų | 140.2 | 90% | 0.899 | 78% | 0.78 | S | S | * | * | trans | -72.7 | 120.2 | 173.5 | -76.6 | -93.6 | 0 | 0 | 0 | 110.4 | ||||
| 215 | Q | 41.8 | Very low | 38.3 | Very low | 187 Ų | 187 | 139.6 Ų | 139.6 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -124.1 | 144.6 | 155.4 | -75 | -166.9 | -22.5 | 0 | 0 | 109.9 | S213 | S213-Q215 PolarHBondContact O-N 3.07Š| ||
| 216 | K | 37.5 | Very low | 37.8 | Very low | 190 Ų | 190 | 138.8 Ų | 138.8 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | trans | -98.5 | 135 | -175.1 | -52.7 | 172.4 | -179.8 | 175.8 | 0 | 109.6 | ||||
| 217 | N | 32.3 | Very low | 37 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | 159.7 | 132.1 | 118 | -81.3 | -14 | 0 | 0 | 0 | 114.2 | |||||
| 218 | N | 33.3 | Very low | 37.6 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | trans | 68.6 | 136.8 | 136.6 | -62.8 | 6.2 | 0 | 0 | 0 | 123.7 | ||||
| 219 | H | 40.4 | Very low | 38.3 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 78% | 0.778 | 77% | 0.772 | S | S | * | * | trans | 57.1 | 125.3 | 165.8 | -62.3 | -70.6 | 0 | 0 | 0 | 118.8 | ||||
| 220 | L | 36.1 | Very low | 37.8 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | cis | 83 | 67.1 | 28.8 | -163.9 | 71.5 | 0 | 0 | 0 | 115.8 | ||||
| 221 | M | 44.2 | Very low | 37.4 | Very low | 189 Ų | 189 | 136 Ų | 136 | 93% | 0.931 | 77% | 0.765 | S | S | * | * | -179.7 | 158 | 128.9 | -99.8 | -175.9 | -79.2 | 0 | 0 | 109 | |||||
| 222 | G | 29.5 | Very low | 36.9 | Very low | 53 Ų | 53 | 139.2 Ų | 139.2 | 55% | 0.546 | 77% | 0.769 | S | S | . | * | cis | 146.6 | 92 | -8.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 223 | F | 33.9 | Very low | 36.6 | Very low | 212 Ų | 212 | 138.3 Ų | 138.3 | 93% | 0.93 | 77% | 0.768 | S | S | * | * | trans | 64.8 | 154.1 | 175.9 | -56.8 | -91.8 | 0 | 0 | 0 | 116 | ||||
| 224 | G | 32.3 | Very low | 36.9 | Very low | 61 Ų | 61 | 138.6 Ų | 138.6 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | cis | 174.3 | -179.9 | -9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 225 | H | 35.3 | Very low | 36.6 | Very low | 177 Ų | 177 | 134.5 Ų | 134.5 | 82% | 0.819 | 76% | 0.764 | S | S | * | * | trans | 75.4 | 106.9 | 161 | -58.8 | -82 | 0 | 0 | 0 | 122.5 | ||||
| 226 | A | 31.7 | Very low | 36 | Very low | 84 Ų | 84 | 128.7 Ų | 128.7 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | 69.9 | 108.3 | 116.4 | 0 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 227 | S | 31.7 | Very low | 35.9 | Very low | 117 Ų | 117 | 128.8 Ų | 128.8 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | 88.1 | 157.6 | 120.2 | -64.8 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 228 | P | 54.7 | Low | 35.7 | Very low | 117 Ų | 117 | 127 Ų | 127 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | trans | -107.4 | -156.7 | -165.2 | 46.3 | -36 | 0 | 0 | 0 | 111.4 | ||||
| 229 | P | 53.4 | Low | 35.4 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | cis | -142 | -157.1 | 3.4 | 40.1 | -16.3 | 0 | 0 | 0 | 116.2 | ||||
| 230 | S | 31.2 | Very low | 34.9 | Very low | 97 Ų | 97 | 124.4 Ų | 124.4 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | 80.1 | 150.7 | 157.8 | -64.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 231 | Q | 32.7 | Very low | 34.5 | Very low | 157 Ų | 157 | 124.1 Ų | 124.1 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | cis | -163.6 | 159.2 | -9.5 | -117.6 | 174.5 | -41.4 | 0 | 0 | 112.3 | ||||
| 232 | L | 29.7 | Very low | 33.8 | Very low | 154 Ų | 154 | 120.5 Ų | 120.5 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | trans | 65.5 | 138.7 | 145.3 | -68.1 | 166.5 | 0 | 0 | 0 | 123.4 | ||||
| 233 | S | 31.1 | Very low | 33.6 | Very low | 109 Ų | 109 | 127 Ų | 127 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | -85.9 | -165 | 157.2 | -25.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 234 | P | 45.9 | Very low | 33.4 | Very low | 111 Ų | 111 | 127.1 Ų | 127.1 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | cis | -151.3 | -170.8 | 25.2 | 44.8 | -22.5 | 0 | 0 | 0 | 119.2 | ||||
| 235 | S | 30.2 | Very low | 34.1 | Very low | 119 Ų | 119 | 129.6 Ų | 129.6 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | 88.2 | 150.4 | 141.5 | 74 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 236 | G | 29.6 | Very low | 33.7 | Very low | 66 Ų | 66 | 128.8 Ų | 128.8 | 68% | 0.68 | 76% | 0.762 | S | S | * | * | trans | 103.9 | 85.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 237 | Q | 34.1 | Very low | 33.5 | Very low | 192 Ų | 192 | 134.1 Ų | 134.1 | 90% | 0.897 | 77% | 0.765 | S | S | * | * | 61.1 | 140.3 | 64.4 | -68.6 | -171.2 | -14.9 | 0 | 0 | 115.6 | |||||
| 238 | S | 27.5 | Very low | 33.5 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | cis | 179.4 | 140 | -21.2 | 49.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 239 | S | 28.1 | Very low | 32.3 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | 174.2 | 160.3 | 156.7 | -84.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 240 | V | 30 | Very low | 31.2 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | -157.1 | 165.3 | -66.7 | -101.9 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 241 | N | 27.5 | Very low | 31.1 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | 103.9 | 113.1 | 176.9 | -59.9 | -33.2 | 0 | 0 | 0 | 113.4 | ||||
| 242 | S | 29 | Very low | 31 | Very low | 113 Ų | 113 | 137 Ų | 137 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | 77.2 | 135.3 | 54.8 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 243 | E | 27 | Very low | 31 | Very low | 188 Ų | 188 | 137.4 Ų | 137.4 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | cis | -148.9 | 169.9 | 39.1 | -168.3 | 163.5 | -170.2 | 0 | 0 | 114.5 | ||||
| 244 | Y | 28.9 | Very low | 30.9 | Very low | 216 Ų | 216 | 138.4 Ų | 138.4 | 85% | 0.847 | 76% | 0.76 | S | S | * | * | trans | -142.2 | 139.7 | -175.9 | -125.7 | -77.7 | 0 | 0 | 0 | 109.3 | ||||
| 245 | P | 46.5 | Very low | 30.2 | Very low | 113 Ų | 113 | 140 Ų | 140 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | -144 | 145.5 | 117.1 | 21.1 | 0.8 | 0 | 0 | 0 | 113.8 | |||||
| 246 | Y | 27.8 | Very low | 30 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 63% | 0.627 | 76% | 0.757 | S | S | * | * | 71.9 | 131.1 | 75.6 | -135.2 | -113.7 | 0 | 0 | 0 | 112.8 | |||||
| 247 | Y | 26.9 | Very low | 30 | Very low | 196 Ų | 196 | 141.8 Ų | 141.8 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | -140.7 | 157.7 | 56 | -90.5 | -98 | 0 | 0 | 0 | 115.8 | I249 | Y247-I249 HydrophobicContact CD1-CD1 4.39Š| |||
| 248 | H | 30.9 | Very low | 29.7 | Very low | 170 Ų | 170 | 140.7 Ų | 140.7 | 79% | 0.787 | 76% | 0.757 | S | S | * | * | trans | -155.3 | 108.3 | 170 | -150.6 | -38.9 | 0 | 0 | 0 | 111.1 | ||||
| 249 | I | 30.8 | Very low | 29.8 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 70% | 0.697 | 76% | 0.757 | S | S | * | * | trans | -154.7 | 143.7 | 178.1 | -54.2 | -179.9 | 0 | 0 | 0 | 108.4 | Y247 | Y247-I249 HydrophobicContact CD1-CD1 4.39Š| ||
| 250 | A | 29.2 | Very low | 30.3 | Very low | 78 Ų | 78 | 141.1 Ų | 141.1 | 65% | 0.645 | 75% | 0.753 | S | S | * | * | cis | -166.5 | 150 | -32.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 251 | E | 28.9 | Very low | 30.5 | Very low | 192 Ų | 192 | 145.9 Ų | 145.9 | 90% | 0.897 | 76% | 0.759 | S | S | * | * | trans | 43.8 | 138.2 | 140.3 | -132.6 | 145.8 | -140.7 | 0 | 0 | 121 | ||||
| 252 | A | 31.4 | Very low | 30.9 | Very low | 82 Ų | 82 | 144.3 Ų | 144.3 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | cis | -155.9 | -170.5 | 25.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 253 | Q | 29.2 | Very low | 31 | Very low | 161 Ų | 161 | 145.9 Ų | 145.9 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | cis | -164 | 162.6 | -1.7 | -152.1 | -175.1 | 72.5 | 0 | 0 | 109.3 | ||||
| 254 | N | 29.4 | Very low | 31.2 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | trans | 57.5 | 134.9 | 148.7 | -99.5 | -25 | 0 | 0 | 0 | 120 | ||||
| 255 | I | 31.5 | Very low | 31.3 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | cis | -145.6 | 145.1 | 10.5 | -57.3 | 176.8 | 0 | 0 | 0 | 109.8 | ||||
| 256 | S | 26.7 | Very low | 30.7 | Very low | 109 Ų | 109 | 141 Ų | 141 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | trans | 25.4 | 135.7 | 152.8 | -148.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 257 | S | 28.2 | Very low | 31 | Very low | 113 Ų | 113 | 139 Ų | 139 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | -173.7 | 173.8 | 65.9 | 58.7 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 258 | H | 27.4 | Very low | 31.4 | Very low | 169 Ų | 169 | 135.5 Ų | 135.5 | 78% | 0.782 | 75% | 0.754 | S | S | * | * | trans | -151.3 | 171.4 | -176 | -150.7 | -156.7 | 0 | 0 | 0 | 106.7 | ||||
| 259 | V | 31.3 | Very low | 31.6 | Very low | 112 Ų | 112 | 134.2 Ų | 134.2 | 68% | 0.679 | 75% | 0.752 | S | S | * | * | cis | -126.6 | -114.5 | 22.7 | -165.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 260 | P | 38.8 | Very low | 32 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | trans | -127.8 | -176.4 | -153.9 | 46.1 | -27.1 | 0 | 0 | 0 | 118.1 | ||||
| 261 | Y | 33 | Very low | 32.8 | Very low | 223 Ų | 223 | 136.1 Ų | 136.1 | 88% | 0.875 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 145 | 166.5 | -109.2 | -96.8 | 0 | 0 | 0 | 114.5 | ||
| 262 | P | 35.6 | Very low | 33.2 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 163.1 | 155.6 | 36.8 | -30.9 | 0 | 0 | 0 | 112.9 | ||
| 263 | V | 31.2 | Very low | 33.3 | Very low | 147 Ų | 147 | 134.2 Ų | 134.2 | 89% | 0.891 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 159.1 | 178.1 | 169.3 | 0 | 0 | 0 | 0 | 111.5 | ||
| 264 | A | 30.9 | Very low | 33.6 | Very low | 88 Ų | 88 | 134.2 Ų | 134.2 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 150.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 265 | L | 31.3 | Very low | 34 | Very low | 169 Ų | 169 | 133.8 Ų | 133.8 | 89% | 0.885 | 76% | 0.756 | S | S | * | * | trans | -104.8 | 128.6 | 148.5 | -78.5 | 176.8 | 0 | 0 | 0 | 109.9 | ||||
| 266 | H | 34.8 | Very low | 34.3 | Very low | 157 Ų | 157 | 130.4 Ų | 130.4 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -90.8 | 104.6 | 178 | 170.5 | -71.5 | 0 | 0 | 0 | 109.8 | N268 | H266-N268 PolarHBondContact CE1-OD1 3.41Š| ||
| 267 | V | 33.7 | Very low | 35 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 72% | 0.715 | 74% | 0.742 | S | S | * | * | trans | -96.4 | 111.4 | 174 | -176 | 0 | 0 | 0 | 0 | 109.7 | I269 | V267-I269 HydrophobicContact CG1-CG1 4.1Å; V267-I269 PolarHBondContact O-N 2.69Å | ||
| 268 | N | 35.2 | Very low | 35.5 | Very low | 123 Ų | 123 | 126.7 Ų | 126.7 | 66% | 0.658 | 73% | 0.732 | S | S | * | * | trans | -69.3 | 116.1 | 167.2 | -103.3 | -22.6 | 0 | 0 | 0 | 109.3 | H266 | H266-N268 PolarHBondContact CE1-OD1 3.41Š| ||
| 269 | I | 34.9 | Very low | 36 | Very low | 143 Ų | 143 | 122.3 Ų | 122.3 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | trans | -112.5 | 88.3 | 160.1 | -57.6 | -176 | 0 | 0 | 0 | 107.5 | V267 | V267-I269 HydrophobicContact CG1-CG1 4.1Å; V267-I269 PolarHBondContact O-N 2.69Å | ||
| 270 | V | 39.3 | Very low | 36.5 | Very low | 107 Ų | 107 | 124 Ų | 124 | 65% | 0.648 | 73% | 0.728 | S | S | * | * | trans | -91.1 | 139.4 | 167.7 | 179.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 271 | N | 46.5 | Very low | 36.4 | Very low | 147 Ų | 147 | 127 Ų | 127 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | trans | 58.1 | 85 | 174.2 | -71.9 | -8.5 | 0 | 0 | 0 | 117.6 | ||||
| 272 | V | 36.3 | Very low | 36.5 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 70% | 0.703 | 73% | 0.731 | S | S | * | * | trans | -132.6 | 112.9 | 139.6 | -177 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 273 | P | 34.3 | Very low | 36.7 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | trans | -83 | 121.6 | 179.5 | 31.2 | -32.1 | 0 | 0 | 0 | 111.6 | ||||
| 274 | Q | 34.6 | Very low | 37.2 | Very low | 161 Ų | 161 | 132.8 Ų | 132.8 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | trans | -101.1 | 122.3 | 167.7 | -72.2 | -163.5 | 4.8 | 0 | 0 | 111 | A276 | Q274-A276 VanDerWaalsContact C-N 3.31Å; Q274-A276 PolarHBondContact O-N 2.74Å | ||
| 275 | P | 38.8 | Very low | 37.9 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -68.3 | -22.7 | -178.1 | -23.4 | 34.6 | 0 | 0 | 0 | 115.5 | A277 | P275-A277 PolarHBondContact O-N 2.92Š|
| 276 | A | 37.8 | Very low | 38.3 | Very low | 73 Ų | 73 | 135 Ų | 135 | 60% | 0.603 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -71.4 | -25.9 | -162.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q274 A278 | Q274-A276 VanDerWaalsContact C-N 3.31Å; Q274-A276 PolarHBondContact O-N 2.74Å; A276-A278 PolarHBondContact O-N 2.58Å |
| 277 | A | 40.3 | Very low | 39.1 | Very low | 75 Ų | 75 | 133 Ų | 133 | 62% | 0.62 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -74.1 | -24.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | P275 A279 | P275-A277 PolarHBondContact O-N 2.92Å; A277-A279 PolarHBondContact O-N 2.69Å |
| 278 | A | 38.8 | Very low | 40.7 | Very low | 69 Ų | 69 | 130.7 Ų | 130.7 | 57% | 0.57 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -74.7 | -23.4 | -172 | 0 | 0 | 0 | 0 | 0 | 114.2 | A276 | A276-A278 PolarHBondContact O-N 2.58Š|
| 279 | A | 38.1 | Very low | 42.3 | Very low | 77 Ų | 77 | 129.1 Ų | 129.1 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -34 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A277 | A277-A279 PolarHBondContact O-N 2.69Š|
| 280 | I | 41.9 | Very low | 44.2 | Very low | 147 Ų | 147 | 126.1 Ų | 126.1 | 75% | 0.754 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -19.9 | -169.1 | -60.3 | 177.3 | 0 | 0 | 0 | 112.4 | ||
| 281 | Q | 36.7 | Very low | 45.6 | Very low | 177 Ų | 177 | 125 Ų | 125 | 83% | 0.827 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -2.2 | -178.5 | -71.1 | -170.2 | -15.4 | 0 | 0 | 115.2 | ||
| 282 | R | 34.8 | Very low | 47.2 | Very low | 224 Ų | 224 | 122.6 Ų | 122.6 | 85% | 0.845 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -94.7 | -1.2 | -176.9 | -71.3 | -159.6 | 173.4 | -158.8 | -0.9 | 116.2 | ||
| 283 | H | 39.7 | Very low | 49.6 | Very low | 160 Ų | 160 | 122.9 Ų | 122.9 | 74% | 0.741 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -112.2 | 23.1 | -174.6 | -103.3 | -67.9 | 0 | 0 | 0 | 115.9 | ||
| 284 | Y | 42.9 | Very low | 51.9 | Low | 218 Ų | 218 | 123.6 Ų | 123.6 | 86% | 0.855 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -140 | 44.4 | 174 | -87.5 | -67.5 | 0 | 0 | 0 | 113.6 | ||
| 285 | N | 44.8 | Very low | 54.5 | Low | 157 Ų | 157 | 120.1 Ų | 120.1 | 84% | 0.84 | 62% | 0.62 | S | S | * | * | trans | -150.9 | 58.6 | 162.2 | -98.3 | -61.3 | 0 | 0 | 0 | 109.9 | ||||
| 286 | D | 39.4 | Very low | 56.7 | Low | 147 Ų | 147 | 119.3 Ų | 119.3 | 79% | 0.786 | 60% | 0.604 | S | S | * | * | trans | -96.8 | 91.2 | 162.2 | -139 | -42.3 | 0 | 0 | 0 | 106.7 | D288 | D286-D288 PolarHBondContact O-N 2.83Å; D286-D288 VanDerWaalsContact O-N 3.16Å | ||
| 287 | E | 52.9 | Low | 59.3 | Low | 114 Ų | 114 | 121.8 Ų | 121.8 | 53% | 0.533 | 60% | 0.604 | S | S | . | * | trans | -74.2 | 97.9 | 169.1 | -88.2 | -77.2 | 80.3 | 0 | 0 | 106.9 | P289 K291 | E287-P289 VanDerWaalsContact O-N 3.12Å; E287-K291 IonicContact OE1-NZ 2.72Å; E287-K291 PolarHBondContact OE1-NZ 2.9Å; E287-K291 IonicContact OE2-NZ 3.65Å; E287-K291 PolarHBondContact OE2-NZ 3.37Å | ||
| 288 | D | 66.5 | Low | 61.7 | Low | 69 Ų | 69 | 124 Ų | 124 | 37% | 0.369 | 61% | 0.605 | S | S | . | * | trans | -35.6 | 115.4 | 178.2 | 167.3 | 23.8 | 0 | 0 | 0 | 111.3 | D286 E290 K291 E292 R294 | D286-D288 PolarHBondContact O-N 2.83Å; D286-D288 VanDerWaalsContact O-N 3.16Å; D288-E290 PolarHBondContact O-N 2.95Å; D288-E290 WeakPolarHBondContact OD1-CA 3.28Å; D288-E290 WeakPolarHBondContact OD1-CB 3.27Å; D288-E290 PolarHBondContact OD1-N 3.38Å; D288-K291 HydrophobicContact CB-CB 3.78Å; D288-K291 WeakPolarHBondContact O-CA 3.25Å; D288-K291 VanDerWaalsContact O-CB 3.25Å; D288-K291 WeakPolarHBondContact O-CB 3.39Å; D288-K291 PolarHBondContact O-N 2.84Å; D288-K291 WeakPolarHBondContact OD2-CB 3.18Å; D288-K291 PolarHBondContact OD2-N 3.24Å; D288-K291 VanDerWaalsContact OD2-N 3.15Å; D288-E292 PolarHBondContact O-N 3.12Å; D288-R294 IonicContact OD2-NH1 3.47Å | ||
| 289 | P | 69.4 | Low | 64.1 | Low | 91 Ų | 91 | 126.5 Ų | 126.5 | 59% | 0.591 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.1 | -26 | -178.1 | 25.5 | -34 | 0 | 0 | 0 | 111.5 | E287 K291 K293 | E287-P289 VanDerWaalsContact O-N 3.12Å; P289-K291 VanDerWaalsContact C-N 3.32Å; P289-K293 WeakPolarHBondContact O-CB 3.45Å; P289-K293 PolarHBondContact O-N 2.94Å |
| 290 | E | 74.1 | Confident | 66.5 | Low | 80 Ų | 80 | 128.4 Ų | 128.4 | 37% | 0.374 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -71.3 | -27.3 | 173.7 | -137.9 | 70.8 | -126.3 | 0 | 0 | 111.5 | D288 K293 R294 | D288-E290 PolarHBondContact O-N 2.95Å; D288-E290 WeakPolarHBondContact OD1-CA 3.28Å; D288-E290 WeakPolarHBondContact OD1-CB 3.27Å; D288-E290 PolarHBondContact OD1-N 3.38Å; E290-K293 WeakPolarHBondContact OE1-CD 3.5Å; E290-K293 WeakPolarHBondContact OE1-CE 3.45Å; E290-K293 IonicContact OE1-NZ 2.67Å; E290-K293 PolarHBondContact OE1-NZ 3.07Å; E290-R294 VanDerWaalsContact C-NH1 3.29Å; E290-R294 WeakPolarHBondContact O-CB 3.28Å; E290-R294 WeakPolarHBondContact O-CG 3.33Å; E290-R294 PolarHBondContact O-N 2.89Å; E290-R294 VanDerWaalsContact O-N 3.09Å; E290-R294 PolarHBondContact O-NH1 3.12Å; E290-R294 VanDerWaalsContact O-NH1 3.14Å |
| 291 | K | 68.6 | Low | 68.8 | Low | 82 Ų | 82 | 126.7 Ų | 126.7 | 36% | 0.357 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -75.7 | -45.8 | 171.5 | 176.8 | -155.5 | 173.9 | -144.4 | 0 | 111.1 | E287 D288 P289 K293 R294 I295 | E287-K291 IonicContact OE1-NZ 2.72Å; E287-K291 PolarHBondContact OE1-NZ 2.9Å; E287-K291 IonicContact OE2-NZ 3.65Å; E287-K291 PolarHBondContact OE2-NZ 3.37Å; D288-K291 HydrophobicContact CB-CB 3.78Å; D288-K291 WeakPolarHBondContact O-CA 3.25Å; D288-K291 VanDerWaalsContact O-CB 3.25Å; D288-K291 WeakPolarHBondContact O-CB 3.39Å; D288-K291 PolarHBondContact O-N 2.84Å; D288-K291 WeakPolarHBondContact OD2-CB 3.18Å; D288-K291 PolarHBondContact OD2-N 3.24Å; D288-K291 VanDerWaalsContact OD2-N 3.15Å; P289-K291 VanDerWaalsContact C-N 3.32Å; K291-K293 VanDerWaalsContact C-N 3.29Å; K291-K293 PolarHBondContact O-N 3.46Å; K291-R294 PolarHBondContact O-N 2.87Å; K291-I295 HydrophobicContact CG-CD1 4.09Å; K291-I295 VanDerWaalsContact O-CG1 3.32Å; K291-I295 WeakPolarHBondContact O-CG1 3.19Å; K291-I295 PolarHBondContact O-N 3.31Å |
| 292 | E | 81.6 | Confident | 71.2 | Confident | 98 Ų | 98 | 124.2 Ų | 124.2 | 46% | 0.458 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63 | -39.3 | 177.2 | -155.6 | -154.8 | 179.7 | 0 | 0 | 111.1 | D288 I295 K296 | D288-E292 PolarHBondContact O-N 3.12Å; E292-I295 PolarHBondContact O-N 3.03Å; E292-K296 WeakPolarHBondContact O-CG 3.43Å; E292-K296 PolarHBondContact O-N 3.39Å; E292-K296 WeakPolarHBondContact OE1-CE 3.15Å; E292-K296 IonicContact OE1-NZ 3.99Å; E292-K296 PolarHBondContact OE1-NZ 3.35Å; E292-K296 IonicContact OE2-NZ 3.41Å; E292-K296 PolarHBondContact OE2-NZ 3.05Å |
| 293 | K | 84.6 | Confident | 73.1 | Confident | 122 Ų | 122 | 118.2 Ų | 118.2 | 53% | 0.53 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -58.8 | -50.3 | 171.3 | 177.1 | 178 | 164.9 | -167.7 | 0 | 112.3 | P289 E290 K291 I295 K296 E297 | P289-K293 WeakPolarHBondContact O-CB 3.45Å; P289-K293 PolarHBondContact O-N 2.94Å; E290-K293 WeakPolarHBondContact OE1-CD 3.5Å; E290-K293 WeakPolarHBondContact OE1-CE 3.45Å; E290-K293 IonicContact OE1-NZ 2.67Å; E290-K293 PolarHBondContact OE1-NZ 3.07Å; K291-K293 VanDerWaalsContact C-N 3.29Å; K291-K293 PolarHBondContact O-N 3.46Å; K293-I295 VanDerWaalsContact C-N 3.3Å; K293-I295 PolarHBondContact O-N 3.48Å; K293-K296 PolarHBondContact O-N 3.47Å; K293-E297 WeakPolarHBondContact O-CB 3.43Å; K293-E297 PolarHBondContact O-N 3.1Å |
| 294 | R | 83.4 | Confident | 74.7 | Confident | 133 Ų | 133 | 113.4 Ų | 113.4 | 50% | 0.502 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62 | -33.1 | 175.6 | -75.6 | 174.3 | -160.5 | 110.9 | -3.9 | 113.2 | D288 E290 K291 L298 | D288-R294 IonicContact OD2-NH1 3.47Å; E290-R294 VanDerWaalsContact C-NH1 3.29Å; E290-R294 WeakPolarHBondContact O-CB 3.28Å; E290-R294 WeakPolarHBondContact O-CG 3.33Å; E290-R294 PolarHBondContact O-N 2.89Å; E290-R294 VanDerWaalsContact O-N 3.09Å; E290-R294 PolarHBondContact O-NH1 3.12Å; E290-R294 VanDerWaalsContact O-NH1 3.14Å; K291-R294 PolarHBondContact O-N 2.87Å; R294-L298 WeakPolarHBondContact O-CB 3.48Å; R294-L298 PolarHBondContact O-N 3.17Å |
| 295 | I | 88.8 | Confident | 76 | Confident | 87 Ų | 87 | 105.9 Ų | 105.9 | 45% | 0.446 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.3 | -47.4 | 175.1 | -71.6 | 165 | 0 | 0 | 0 | 110.4 | K291 E292 K293 E297 L298 E299 | K291-I295 HydrophobicContact CG-CD1 4.09Å; K291-I295 VanDerWaalsContact O-CG1 3.32Å; K291-I295 WeakPolarHBondContact O-CG1 3.19Å; K291-I295 PolarHBondContact O-N 3.31Å; E292-I295 PolarHBondContact O-N 3.03Å; K293-I295 VanDerWaalsContact C-N 3.3Å; K293-I295 PolarHBondContact O-N 3.48Å; I295-E297 VanDerWaalsContact C-N 3.31Å; I295-E297 PolarHBondContact O-N 2.84Å; I295-L298 PolarHBondContact O-N 2.82Å; I295-E299 WeakPolarHBondContact O-CB 3.37Å; I295-E299 PolarHBondContact O-N 2.66Å |
| 296 | K | 86.6 | Confident | 77.5 | Confident | 105 Ų | 105 | 103 Ų | 103 | 46% | 0.457 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.6 | -34.8 | 176.8 | -69.8 | 166.4 | -176.4 | 167.7 | 0 | 112.4 | E292 K293 L300 | E292-K296 WeakPolarHBondContact O-CG 3.43Å; E292-K296 PolarHBondContact O-N 3.39Å; E292-K296 WeakPolarHBondContact OE1-CE 3.15Å; E292-K296 IonicContact OE1-NZ 3.99Å; E292-K296 PolarHBondContact OE1-NZ 3.35Å; E292-K296 IonicContact OE2-NZ 3.41Å; E292-K296 PolarHBondContact OE2-NZ 3.05Å; K293-K296 PolarHBondContact O-N 3.47Å; K296-L300 VanDerWaalsContact O-CB 3.32Å; K296-L300 WeakPolarHBondContact O-CB 3.37Å; K296-L300 PolarHBondContact O-N 2.59Å |
| 297 | E | 90.8 | Very high | 78.9 | Confident | 125 Ų | 125 | 100.7 Ų | 100.7 | 58% | 0.584 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.7 | -44.2 | 172.5 | -173 | 174.9 | -166.5 | 0 | 0 | 111.7 | K293 I295 L300 L301 | K293-E297 WeakPolarHBondContact O-CB 3.43Å; K293-E297 PolarHBondContact O-N 3.1Å; I295-E297 VanDerWaalsContact C-N 3.31Å; I295-E297 PolarHBondContact O-N 2.84Å; E297-L300 PolarHBondContact O-N 3.15Å; E297-L301 WeakPolarHBondContact O-CB 3.19Å; E297-L301 PolarHBondContact O-N 2.87Å |
| 298 | L | 90.3 | Very high | 79.9 | Confident | 123 Ų | 123 | 101 Ų | 101 | 64% | 0.644 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.4 | -43.3 | 173.3 | -114.9 | 75.1 | 0 | 0 | 0 | 112.5 | R294 I295 L301 L302 | R294-L298 WeakPolarHBondContact O-CB 3.48Å; R294-L298 PolarHBondContact O-N 3.17Å; I295-L298 PolarHBondContact O-N 2.82Å; L298-L301 PolarHBondContact O-N 3.14Å; L298-L302 WeakPolarHBondContact O-CB 3.49Å; L298-L302 PolarHBondContact O-N 3.09Å |
| 299 | E | 89.4 | Confident | 79.5 | Confident | 121 Ų | 121 | 104.3 Ų | 104.3 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.4 | -43.8 | 177.9 | -175.5 | 174.9 | -161.4 | 0 | 0 | 111.1 | I295 L302 M303 | I295-E299 WeakPolarHBondContact O-CB 3.37Å; I295-E299 PolarHBondContact O-N 2.66Å; E299-L302 PolarHBondContact O-N 3.37Å; E299-M303 VanDerWaalsContact O-CB 3.26Å; E299-M303 WeakPolarHBondContact O-CB 3.17Å; E299-M303 PolarHBondContact O-N 3.24Å |
| 300 | L | 89.6 | Confident | 78.8 | Confident | 117 Ų | 117 | 106.5 Ų | 106.5 | 61% | 0.613 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.3 | -40.1 | 175 | -174.4 | 62.4 | 0 | 0 | 0 | 112.3 | K296 E297 M303 S304 | K296-L300 VanDerWaalsContact O-CB 3.32Å; K296-L300 WeakPolarHBondContact O-CB 3.37Å; K296-L300 PolarHBondContact O-N 2.59Å; E297-L300 PolarHBondContact O-N 3.15Å; L300-M303 PolarHBondContact O-N 3.01Å; L300-S304 WeakPolarHBondContact O-CB 3.42Å; L300-S304 PolarHBondContact O-N 2.78Å; L300-S304 PolarHBondContact O-OG 2.76Å |
| 301 | L | 89.7 | Confident | 77.7 | Confident | 110 Ų | 110 | 105.6 Ų | 105.6 | 58% | 0.576 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.9 | -38 | 177.5 | -164.5 | 80.3 | 0 | 0 | 0 | 112.4 | E297 L298 S304 T305 | E297-L301 WeakPolarHBondContact O-CB 3.19Å; E297-L301 PolarHBondContact O-N 2.87Å; L298-L301 PolarHBondContact O-N 3.14Å; L301-S304 WeakPolarHBondContact CA-OG 3.16Å; L301-S304 PolarHBondContact O-N 3.29Å; L301-S304 PolarHBondContact O-OG 2.78Å; L301-T305 WeakPolarHBondContact O-CB 3.37Å; L301-T305 WeakPolarHBondContact O-CG2 3.25Å; L301-T305 PolarHBondContact O-N 3.47Å; L301-T305 PolarHBondContact O-OG1 3.1Å |
| 302 | L | 87.9 | Confident | 76.6 | Confident | 126 Ų | 126 | 109.1 Ų | 109.1 | 66% | 0.66 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.9 | -42.5 | 174.6 | -162.7 | 73.5 | 0 | 0 | 0 | 110.3 | L298 E299 T305 E306 | L298-L302 WeakPolarHBondContact O-CB 3.49Å; L298-L302 PolarHBondContact O-N 3.09Å; E299-L302 PolarHBondContact O-N 3.37Å; L302-T305 WeakPolarHBondContact CA-OG1 3.37Å; L302-T305 PolarHBondContact O-N 3.4Å; L302-T305 PolarHBondContact O-OG1 3.32Å; L302-T305 VanDerWaalsContact O-OG1 3.05Å; L302-E306 WeakPolarHBondContact O-CB 3.4Å; L302-E306 PolarHBondContact O-N 3.42Å |
| 303 | M | 73.3 | Confident | 75 | Confident | 98 Ų | 98 | 113 Ų | 113 | 48% | 0.483 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -72.2 | -30 | 178.2 | -168.8 | 158.9 | 45.8 | 0 | 0 | 112.6 | E299 L300 N307 | E299-M303 VanDerWaalsContact O-CB 3.26Å; E299-M303 WeakPolarHBondContact O-CB 3.17Å; E299-M303 PolarHBondContact O-N 3.24Å; L300-M303 PolarHBondContact O-N 3.01Å; M303-N307 WeakPolarHBondContact O-CB 3.49Å; M303-N307 VanDerWaalsContact O-CG 3.29Å; M303-N307 PolarHBondContact O-N 2.69Å; M303-N307 PolarHBondContact O-ND2 3.45Å |
| 304 | S | 73.5 | Confident | 72.7 | Confident | 58 Ų | 58 | 111.5 Ų | 111.5 | 41% | 0.406 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -71.7 | -41.5 | 171.5 | 67.5 | 0 | 0 | 0 | 0 | 112.1 | L300 L301 N307 E308 | L300-S304 WeakPolarHBondContact O-CB 3.42Å; L300-S304 PolarHBondContact O-N 2.78Å; L300-S304 PolarHBondContact O-OG 2.76Å; L301-S304 WeakPolarHBondContact CA-OG 3.16Å; L301-S304 PolarHBondContact O-N 3.29Å; L301-S304 PolarHBondContact O-OG 2.78Å; S304-N307 PolarHBondContact O-N 3.45Å; S304-E308 PolarHBondContact O-N 3.27Å |
| 305 | T | 71.9 | Confident | 70.4 | Confident | 60 Ų | 60 | 113.2 Ų | 113.2 | 37% | 0.368 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -70.3 | -33.2 | 177.4 | 48.5 | 0 | 0 | 0 | 0 | 112.9 | L301 L302 E308 L309 | L301-T305 WeakPolarHBondContact O-CB 3.37Å; L301-T305 WeakPolarHBondContact O-CG2 3.25Å; L301-T305 PolarHBondContact O-N 3.47Å; L301-T305 PolarHBondContact O-OG1 3.1Å; L302-T305 WeakPolarHBondContact CA-OG1 3.37Å; L302-T305 PolarHBondContact O-N 3.4Å; L302-T305 PolarHBondContact O-OG1 3.32Å; L302-T305 VanDerWaalsContact O-OG1 3.05Å; T305-E308 PolarHBondContact O-N 2.78Å; T305-L309 WeakPolarHBondContact O-CB 3.46Å; T305-L309 WeakPolarHBondContact O-CG 3.37Å; T305-L309 PolarHBondContact O-N 3.28Å |
| 306 | E | 76.1 | Confident | 68 | Low | 96 Ų | 96 | 114.9 Ų | 114.9 | 45% | 0.449 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.7 | -41.2 | 170 | -165.5 | -168.6 | 150.3 | 0 | 0 | 111.8 | L302 L309 K310 | L302-E306 WeakPolarHBondContact O-CB 3.4Å; L302-E306 PolarHBondContact O-N 3.42Å; E306-L309 PolarHBondContact O-N 3.43Å; E306-K310 HydrophobicContact CG-CD 4.44Å; E306-K310 WeakPolarHBondContact O-CB 3.4Å; E306-K310 WeakPolarHBondContact O-CG 3.35Å; E306-K310 PolarHBondContact O-N 3.09Å; E306-K310 WeakPolarHBondContact OE1-CE 3.27Å; E306-K310 IonicContact OE1-NZ 3.64Å; E306-K310 PolarHBondContact OE1-NZ 2.95Å |
| 307 | N | 68.4 | Low | 65.3 | Low | 99 Ų | 99 | 116.5 Ų | 116.5 | 53% | 0.529 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -67.8 | -35.7 | 176.4 | -76.8 | -45.1 | 0 | 0 | 0 | 112.5 | M303 S304 K310 G311 | M303-N307 WeakPolarHBondContact O-CB 3.49Å; M303-N307 VanDerWaalsContact O-CG 3.29Å; M303-N307 PolarHBondContact O-N 2.69Å; M303-N307 PolarHBondContact O-ND2 3.45Å; S304-N307 PolarHBondContact O-N 3.45Å; N307-K310 PolarHBondContact O-N 3.37Å; N307-G311 PolarHBondContact O-N 2.76Å |
| 308 | E | 73.9 | Confident | 62.4 | Low | 121 Ų | 121 | 119.4 Ų | 119.4 | 57% | 0.565 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -67.1 | -43.5 | 174.3 | -170 | 176.7 | 175.2 | 0 | 0 | 111.8 | S304 T305 K310 G311 Q312 | S304-E308 PolarHBondContact O-N 3.27Å; T305-E308 PolarHBondContact O-N 2.78Å; E308-K310 VanDerWaalsContact C-N 3.31Å; E308-K310 PolarHBondContact O-N 2.81Å; E308-G311 WeakPolarHBondContact O-CA 3.32Å; E308-G311 PolarHBondContact O-N 2.99Å; E308-Q312 PolarHBondContact O-N 3.35Å |
| 309 | L | 57.8 | Low | 59.6 | Low | 138 Ų | 138 | 120.3 Ų | 120.3 | 72% | 0.723 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -62.4 | -36.4 | 174.7 | -76.4 | 167 | 0 | 0 | 0 | 112.6 | T305 E306 G311 | T305-L309 WeakPolarHBondContact O-CB 3.46Å; T305-L309 WeakPolarHBondContact O-CG 3.37Å; T305-L309 PolarHBondContact O-N 3.28Å; E306-L309 PolarHBondContact O-N 3.43Å; L309-G311 VanDerWaalsContact C-N 3.32Å |
| 310 | K | 53.8 | Low | 56.8 | Low | 137 Ų | 137 | 123.6 Ų | 123.6 | 60% | 0.596 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -71.1 | -26.3 | 171 | -76.4 | 169.7 | 171.7 | 171.1 | 0 | 113 | E306 N307 E308 | E306-K310 HydrophobicContact CG-CD 4.44Å; E306-K310 WeakPolarHBondContact O-CB 3.4Å; E306-K310 WeakPolarHBondContact O-CG 3.35Å; E306-K310 PolarHBondContact O-N 3.09Å; E306-K310 WeakPolarHBondContact OE1-CE 3.27Å; E306-K310 IonicContact OE1-NZ 3.64Å; E306-K310 PolarHBondContact OE1-NZ 2.95Å; N307-K310 PolarHBondContact O-N 3.37Å; E308-K310 VanDerWaalsContact C-N 3.31Å; E308-K310 PolarHBondContact O-N 2.81Å |
| 311 | G | 51.3 | Low | 53.9 | Low | 62 Ų | 62 | 124.5 Ų | 124.5 | 64% | 0.639 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -75 | -24.3 | -179 | 0 | 0 | 0 | 0 | 0 | 115.4 | N307 E308 L309 | N307-G311 PolarHBondContact O-N 2.76Å; E308-G311 WeakPolarHBondContact O-CA 3.32Å; E308-G311 PolarHBondContact O-N 2.99Å; L309-G311 VanDerWaalsContact C-N 3.32Å |
| 312 | Q | 46.9 | Very low | 51 | Low | 156 Ų | 156 | 124.6 Ų | 124.6 | 73% | 0.729 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -1.3 | -174.8 | -64.1 | -162.8 | 18.8 | 0 | 0 | 115.4 | E308 A314 | E308-Q312 PolarHBondContact O-N 3.35Å; Q312-A314 PolarHBondContact O-N 2.81Å |
| 313 | Q | 46.4 | Very low | 48 | Very low | 179 Ų | 179 | 124 Ų | 124 | 84% | 0.836 | 69% | 0.691 | S | S | * | * | trans | -97.5 | 52.5 | -172.2 | -160 | 169.3 | 98.1 | 0 | 0 | 114.5 | ||||
| 314 | A | 37.3 | Very low | 45.8 | Very low | 91 Ų | 91 | 129.5 Ų | 129.5 | 75% | 0.752 | 71% | 0.707 | S | S | * | * | trans | -156.4 | 93.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q312 | Q312-A314 PolarHBondContact O-N 2.81Š| ||
| 315 | L | 34.3 | Very low | 44 | Very low | 169 Ų | 169 | 131.9 Ų | 131.9 | 89% | 0.885 | 72% | 0.721 | S | S | * | * | trans | -135.2 | 131.4 | 154.3 | -82.7 | 178.5 | 0 | 0 | 0 | 109.9 | ||||
| 316 | P | 38.3 | Very low | 41.9 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | trans | -88.3 | 111.9 | -173.2 | 32.9 | -33.4 | 0 | 0 | 0 | 112.4 | Q318 | P316-Q318 PolarHBondContact O-N 3.14Š| ||
| 317 | T | 30.6 | Very low | 39.8 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | trans | -77.4 | 101.9 | 162.9 | 49.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 318 | Q | 30.6 | Very low | 37.9 | Very low | 185 Ų | 185 | 143.7 Ų | 143.7 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -87.4 | 145.8 | 166 | -152.1 | -178.7 | 26.9 | 0 | 0 | 110.6 | P316 | P316-Q318 PolarHBondContact O-N 3.14Š| ||
| 319 | N | 29.7 | Very low | 35.6 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | -75.8 | 133.8 | -165.1 | -53.6 | -69.8 | 0 | 0 | 0 | 113.5 | ||||
| 320 | H | 31.1 | Very low | 34.2 | Very low | 191 Ų | 191 | 143.8 Ų | 143.8 | 88% | 0.884 | 80% | 0.797 | S | S | * | * | trans | -114.7 | 126.1 | 146.4 | -78.8 | -64.3 | 0 | 0 | 0 | 109.5 | ||||
| 321 | T | 29.6 | Very low | 33.1 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 83% | 0.828 | 81% | 0.805 | S | S | * | * | trans | -75.8 | 129.9 | -174.5 | 46.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 322 | C | 27.7 | Very low | 32.2 | Very low | 113 Ų | 113 | 147.6 Ų | 147.6 | 76% | 0.764 | 82% | 0.816 | S | S | * | * | trans | -142.8 | 99.4 | 154.5 | -166.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 323 | S | 26.4 | Very low | 31.6 | Very low | 114 Ų | 114 | 147.1 Ų | 147.1 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | trans | -72.7 | 139.8 | 166.5 | -55.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 324 | Y | 25.9 | Very low | 30.8 | Very low | 213 Ų | 213 | 144.4 Ų | 144.4 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | -129.6 | 141.9 | 159.7 | -119.9 | -95.9 | 0 | 0 | 0 | 110.5 | ||||
| 325 | P | 36.1 | Very low | 30.4 | Very low | 108 Ų | 108 | 147.4 Ų | 147.4 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | trans | -90.4 | 168.6 | -158.7 | -8.8 | 29.3 | 0 | 0 | 0 | 114.3 | ||||
| 326 | G | 27.3 | Very low | 30.3 | Very low | 72 Ų | 72 | 145.6 Ų | 145.6 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | -67.5 | 152.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | H328 | G326-H328 PolarHBondContact O-N 2.72Š| ||
| 327 | W | 31.9 | Very low | 30.2 | Very low | 248 Ų | 248 | 151.2 Ų | 151.2 | 94% | 0.939 | 82% | 0.815 | S | S | * | * | trans | -84.4 | 102.2 | -178.8 | -79.4 | 53.2 | 0 | 0 | 0 | 112.1 | ||||
| 328 | H | 29.6 | Very low | 31.4 | Very low | 182 Ų | 182 | 149.7 Ų | 149.7 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | -141.9 | 128.5 | 160 | -74.4 | -61.8 | 0 | 0 | 0 | 113.1 | G326 | G326-H328 PolarHBondContact O-N 2.72Š| ||
| 329 | S | 25.6 | Very low | 31.4 | Very low | 110 Ų | 110 | 150.3 Ų | 150.3 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | 43 | 111.5 | 152.9 | -56 | 0 | 0 | 0 | 0 | 120.6 | S331 | S329-S331 PolarHBondContact O-N 3.47Š| ||
| 330 | T | 28.3 | Very low | 31.4 | Very low | 151 Ų | 151 | 146.2 Ų | 146.2 | 93% | 0.926 | 80% | 0.801 | S | S | * | * | trans | -64.5 | 120.3 | 154.6 | 0.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 331 | S | 30.6 | Very low | 31.3 | Very low | 110 Ų | 110 | 144.6 Ų | 144.6 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -152.2 | 103.2 | 155.9 | 62.1 | 0 | 0 | 0 | 0 | 111.6 | S329 | S329-S331 PolarHBondContact O-N 3.47Š| ||
| 332 | I | 31.9 | Very low | 31.3 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -69 | 138.1 | 165 | 41.3 | 167.1 | 0 | 0 | 0 | 110.9 | ||||
| 333 | V | 34.9 | Very low | 31.3 | Very low | 147 Ų | 147 | 143.1 Ų | 143.1 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | -167 | 168.1 | 112.6 | 92.4 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 334 | D | 28.6 | Very low | 32.5 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 65% | 0.652 | 80% | 0.799 | S | S | * | * | trans | -126 | 135.3 | -165.2 | -166.4 | 34.2 | 0 | 0 | 0 | 112.1 | ||||
| 335 | Q | 30.2 | Very low | 32.6 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | 62.3 | 170.7 | 164.9 | -36.4 | -157.7 | 39.7 | 0 | 0 | 117.4 | ||||
| 336 | T | 32.5 | Very low | 32.4 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | cis | -145.2 | 172.6 | 12.8 | -35.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 337 | R | 35.4 | Very low | 32.4 | Very low | 239 Ų | 239 | 140.4 Ų | 140.4 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -74 | 170.7 | -177.9 | -101.4 | -168.4 | 167.1 | 177.4 | -3.3 | 115.6 | ||||
| 338 | P | 56.5 | Low | 32.2 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | trans | -115.2 | 173.1 | -158.1 | 43.7 | -37.1 | 0 | 0 | 0 | 116.3 | ||||
| 339 | H | 30.5 | Very low | 32.2 | Very low | 199 Ų | 199 | 131.4 Ų | 131.4 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -170.2 | 157.8 | 143.2 | -119.3 | -80.1 | 0 | 0 | 0 | 112.7 | ||||
| 340 | G | 29.3 | Very low | 32.4 | Very low | 56 Ų | 56 | 133.7 Ų | 133.7 | 58% | 0.577 | 78% | 0.784 | S | S | * | * | trans | 99.7 | 94.6 | 139.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 341 | D | 29.5 | Very low | 32.6 | Very low | 156 Ų | 156 | 134.4 Ų | 134.4 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | 52.2 | 133.4 | 129.2 | -54.7 | -17.6 | 0 | 0 | 0 | 125.1 | |||||
| 342 | S | 28.9 | Very low | 32.6 | Very low | 126 Ų | 126 | 137 Ų | 137 | 88% | 0.881 | 78% | 0.776 | S | S | * | * | trans | 81.4 | 150.2 | 145.4 | -60.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 343 | A | 27.6 | Very low | 32.7 | Very low | 92 Ų | 92 | 133 Ų | 133 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | trans | -119 | -165.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 344 | P | 51 | Low | 32.7 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | cis | -140.6 | -150.5 | 2.7 | 36.2 | -10.7 | 0 | 0 | 0 | 114.8 | ||||
| 345 | V | 29.3 | Very low | 33.8 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | trans | 88.4 | 91.6 | 165.7 | -172.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 346 | S | 30.2 | Very low | 33.7 | Very low | 106 Ų | 106 | 130 Ų | 130 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | 88.8 | 155.3 | 94.6 | -55.4 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 347 | C | 27.9 | Very low | 33.7 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | cis | -149.5 | 150.7 | 27.1 | -67.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 348 | L | 28.6 | Very low | 34.6 | Very low | 179 Ų | 179 | 125.8 Ų | 125.8 | 94% | 0.937 | 77% | 0.768 | S | S | * | * | trans | 55.9 | 152.4 | 161.5 | -78.1 | 81.5 | 0 | 0 | 0 | 119.3 | ||||
| 349 | G | 28.6 | Very low | 33.3 | Very low | 62 Ų | 62 | 125.4 Ų | 125.4 | 64% | 0.639 | 77% | 0.774 | S | S | * | * | cis | 163.2 | 112.9 | -9.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 350 | E | 31.1 | Very low | 33.3 | Very low | 159 Ų | 159 | 123 Ų | 123 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | 63.3 | 158.7 | 166 | -56.1 | -177.9 | 56.9 | 0 | 0 | 118.3 | ||||
| 351 | H | 32.2 | Very low | 34.3 | Very low | 165 Ų | 165 | 125.6 Ų | 125.6 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | cis | -128.1 | -170.9 | 10.8 | -59 | -83.5 | 0 | 0 | 0 | 114 | ||||
| 352 | H | 30.3 | Very low | 34.3 | Very low | 164 Ų | 164 | 121.2 Ų | 121.2 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | -87.2 | 144.6 | -164.2 | -52.7 | -91.6 | 0 | 0 | 0 | 114.7 | ||||
| 353 | A | 34.5 | Very low | 34.3 | Very low | 86 Ų | 86 | 121.6 Ų | 121.6 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | 61.7 | 146.2 | 92.8 | 0 | 0 | 0 | 0 | 0 | 116 | |||||
| 354 | T | 33.5 | Very low | 34.5 | Very low | 135 Ų | 135 | 124.9 Ų | 124.9 | 83% | 0.828 | 77% | 0.773 | S | S | * | * | cis | -152.2 | -158 | 18.6 | -16.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 355 | P | 51.6 | Low | 34.2 | Very low | 106 Ų | 106 | 125.2 Ų | 125.2 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | trans | -120 | -173.4 | -150 | 44 | -26.3 | 0 | 0 | 0 | 116.6 | ||||
| 356 | S | 27.5 | Very low | 34.4 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | -173.9 | 158.2 | 110.8 | -74.1 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 357 | L | 34.6 | Very low | 34.4 | Very low | 167 Ų | 167 | 131.6 Ų | 131.6 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -97.4 | -162.1 | -171.3 | -71.6 | 165.3 | 0 | 0 | 0 | 112.6 | ||||
| 358 | P | 53.6 | Low | 34.6 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | -139.3 | -168.8 | -62.2 | 40.3 | -22.9 | 0 | 0 | 0 | 115.4 | |||||
| 359 | A | 29.8 | Very low | 34.5 | Very low | 98 Ų | 98 | 127.4 Ų | 127.4 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | 107.5 | 137.6 | 133.2 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 360 | D | 30.3 | Very low | 34.6 | Very low | 150 Ų | 150 | 130.1 Ų | 130.1 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -107.2 | -166.5 | 163.9 | -154.2 | 25.4 | 0 | 0 | 0 | 106.3 | ||||
| 361 | P | 50.2 | Low | 35 | Very low | 110 Ų | 110 | 128.5 Ų | 128.5 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | cis | -139.7 | 175 | -7.3 | 44.2 | -26.4 | 0 | 0 | 0 | 117.1 | ||||
| 362 | G | 28 | Very low | 34.8 | Very low | 64 Ų | 64 | 125 Ų | 125 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | 94.3 | 133.7 | 119.9 | 0 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 363 | S | 30.4 | Very low | 34.9 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 94% | 0.937 | 80% | 0.798 | S | S | * | * | trans | 89.7 | 160.7 | 144.9 | 75.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 364 | L | 30.4 | Very low | 34.6 | Very low | 161 Ų | 161 | 131 Ų | 131 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | -112.3 | 159.5 | -167.4 | -99.2 | 167.6 | 0 | 0 | 0 | 111.9 | ||||
| 365 | P | 45.9 | Very low | 34.6 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | -150.8 | -171.4 | 99.2 | 39.7 | -20.8 | 0 | 0 | 0 | 116.2 | |||||
| 366 | E | 33.6 | Very low | 33.9 | Very low | 185 Ų | 185 | 135.5 Ų | 135.5 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -70.2 | 162.1 | 176.2 | -60.4 | 171.6 | 94.2 | 0 | 0 | 112.5 | ||||
| 367 | E | 30.3 | Very low | 34.4 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | -175.8 | 162.4 | 56.5 | -159.1 | -159.9 | 117.1 | 0 | 0 | 112.3 | |||||
| 368 | S | 31.6 | Very low | 34.3 | Very low | 102 Ų | 102 | 135.1 Ų | 135.1 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | 80.4 | 165.5 | 153.7 | 85.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 369 | A | 27.4 | Very low | 33.7 | Very low | 97 Ų | 97 | 139.4 Ų | 139.4 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | 75.2 | 112.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 370 | S | 29.1 | Very low | 34.4 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -131.1 | 171.4 | 151.1 | -79.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 371 | P | 40.9 | Very low | 35.2 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | cis | -131.8 | 156.4 | 0.7 | 39.3 | -24.1 | 0 | 0 | 0 | 115.2 | ||||
| 372 | A | 27.2 | Very low | 35.1 | Very low | 92 Ų | 92 | 135.9 Ų | 135.9 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | -175.5 | 159.3 | 143.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 373 | R | 33 | Very low | 35.8 | Very low | 246 Ų | 246 | 139.7 Ų | 139.7 | 93% | 0.928 | 79% | 0.794 | S | S | * | * | trans | 61.5 | 81.4 | 164.2 | -58.9 | -175.9 | -178 | -156.5 | -0.3 | 117.8 | ||||
| 374 | C | 27.9 | Very low | 36.4 | Very low | 131 Ų | 131 | 139.3 Ų | 139.3 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | trans | -141.8 | 104.7 | 133 | -159.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 375 | M | 33.9 | Very low | 37.1 | Very low | 174 Ų | 174 | 137.7 Ų | 137.7 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | trans | -126.4 | 156.5 | 169.3 | -83.7 | -97.6 | -74.8 | 0 | 0 | 106.5 | ||||
| 376 | I | 36.7 | Very low | 37.3 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 82% | 0.821 | 77% | 0.765 | S | S | * | * | trans | 87.3 | 89.9 | -173.3 | -50.6 | 159.9 | 0 | 0 | 0 | 113.4 | ||||
| 377 | V | 36.5 | Very low | 37.8 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 75% | 0.745 | 76% | 0.759 | S | S | * | * | 179.9 | 107 | 123.2 | 153.5 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 378 | H | 34.1 | Very low | 38.8 | Very low | 157 Ų | 157 | 133.1 Ų | 133.1 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | 168.4 | 68.6 | 150 | -102.5 | -74.4 | 0 | 0 | 0 | 110.8 | ||||
| 379 | Q | 41.1 | Very low | 39.4 | Very low | 203 Ų | 203 | 134.8 Ų | 134.8 | 95% | 0.949 | 75% | 0.75 | S | S | * | * | trans | -110.1 | 95 | 165.7 | -168.9 | 172.9 | 21.1 | 0 | 0 | 108.2 | ||||
| 380 | G | 43.8 | Very low | 40.3 | Very low | 55 Ų | 55 | 137 Ų | 137 | 57% | 0.567 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -177.7 | -32 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | I382 | G380-I382 VanDerWaalsContact C-N 3.33Å; G380-I382 PolarHBondContact O-N 2.99Å |
| 381 | T | 47.5 | Very low | 41.1 | Very low | 96 Ų | 96 | 138 Ų | 138 | 59% | 0.589 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 8 | -174.2 | 38.9 | 0 | 0 | 0 | 0 | 115.7 | ||
| 382 | I | 47.1 | Very low | 41.1 | Very low | 133 Ų | 133 | 139.6 Ų | 139.6 | 68% | 0.682 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | -21.2 | -174.2 | -65.1 | 178.2 | 0 | 0 | 0 | 113 | G380 | G380-I382 VanDerWaalsContact C-N 3.33Å; G380-I382 PolarHBondContact O-N 2.99Å |
| 383 | L | 43.5 | Very low | 41.8 | Very low | 144 Ų | 144 | 138.7 Ų | 138.7 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -84.6 | -31 | -174.9 | -75.8 | 168.7 | 0 | 0 | 0 | 114.6 | V386 | L383-V386 PolarHBondContact O-N 2.81Š|
| 384 | D | 43.6 | Very low | 42.3 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 67% | 0.674 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -67.8 | -39.4 | 179.6 | -82.1 | -22.2 | 0 | 0 | 0 | 112.9 | V386 K387 N388 | D384-V386 PolarHBondContact O-N 3.01Å; D384-K387 PolarHBondContact O-N 2.84Å; D384-K387 VanDerWaalsContact O-N 3.07Å; D384-N388 PolarHBondContact O-N 2.93Å |
| 385 | N | 45.1 | Very low | 43 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 68% | 0.679 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -63.5 | -24.3 | -178.1 | -74.6 | 7.6 | 0 | 0 | 0 | 113.3 | ||
| 386 | V | 48.7 | Very low | 43.5 | Very low | 102 Ų | 102 | 132.9 Ų | 132.9 | 62% | 0.618 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -77.2 | -32.8 | 177 | -176 | 0 | 0 | 0 | 0 | 111.2 | L383 D384 | L383-V386 PolarHBondContact O-N 2.81Å; D384-V386 PolarHBondContact O-N 3.01Å |
| 387 | K | 45.9 | Very low | 43.7 | Very low | 168 Ų | 168 | 133.7 Ų | 133.7 | 73% | 0.73 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -74.6 | -39 | -178.8 | -159.2 | 176.5 | -176.2 | -174.8 | 0 | 112 | D384 L389 L390 | D384-K387 PolarHBondContact O-N 2.84Å; D384-K387 VanDerWaalsContact O-N 3.07Å; K387-L389 VanDerWaalsContact C-N 3.29Å; K387-L389 PolarHBondContact O-N 3.44Å; K387-L390 PolarHBondContact O-N 3.21Å |
| 388 | N | 50.2 | Low | 43.7 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 62% | 0.62 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -70.2 | -24.3 | -179.5 | -142 | -112.2 | 0 | 0 | 0 | 113.3 | D384 L390 | D384-N388 PolarHBondContact O-N 2.93Å; N388-L390 VanDerWaalsContact C-N 3.34Å; N388-L390 PolarHBondContact O-N 3.22Å |
| 389 | L | 44 | Very low | 43.9 | Very low | 137 Ų | 137 | 137 Ų | 137 | 72% | 0.717 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -73.1 | -24.5 | 179.6 | -164.5 | 67.5 | 0 | 0 | 0 | 113.4 | K387 | K387-L389 VanDerWaalsContact C-N 3.29Å; K387-L389 PolarHBondContact O-N 3.44Å |
| 390 | L | 45.9 | Very low | 43.3 | Very low | 143 Ų | 143 | 135 Ų | 135 | 75% | 0.749 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -79.9 | -31.6 | -179.3 | -168.1 | 61.5 | 0 | 0 | 0 | 112.3 | K387 N388 | K387-L390 PolarHBondContact O-N 3.21Å; N388-L390 VanDerWaalsContact C-N 3.34Å; N388-L390 PolarHBondContact O-N 3.22Å |
| 391 | E | 46.4 | Very low | 42.6 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 66% | 0.659 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -76.4 | -24.6 | -178.2 | -159.6 | 164.6 | -147.3 | 0 | 0 | 112.5 | A393 | E391-A393 VanDerWaalsContact C-N 3.28Å; E391-A393 PolarHBondContact O-N 3.5Å |
| 392 | F | 41.5 | Very low | 41.8 | Very low | 157 Ų | 157 | 140.1 Ų | 140.1 | 69% | 0.689 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -13.2 | 176.7 | -164.3 | -98.2 | 0 | 0 | 0 | 113.9 | ||
| 393 | A | 41.3 | Very low | 41 | Very low | 73 Ų | 73 | 138.8 Ų | 138.8 | 60% | 0.603 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -22.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E391 | E391-A393 VanDerWaalsContact C-N 3.28Å; E391-A393 PolarHBondContact O-N 3.5Å |
| 394 | E | 44.2 | Very low | 40.4 | Very low | 173 Ų | 173 | 136.6 Ų | 136.6 | 81% | 0.808 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -92.8 | -15.7 | -167.1 | -156.5 | 160.5 | -137.5 | 0 | 0 | 113.5 | ||
| 395 | T | 42.8 | Very low | 39.9 | Very low | 113 Ų | 113 | 142.4 Ų | 142.4 | 69% | 0.693 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | 3.1 | -175.2 | -10.6 | 0 | 0 | 0 | 0 | 115.3 | ||
| 396 | L | 42.8 | Very low | 39.2 | Very low | 144 Ų | 144 | 141.7 Ų | 141.7 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | 25.9 | -177.5 | -74.3 | 174 | 0 | 0 | 0 | 114.4 | ||
| 397 | Q | 41.8 | Very low | 38.2 | Very low | 177 Ų | 177 | 143.1 Ų | 143.1 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -116.7 | 15.8 | 174.3 | -68.7 | -161.4 | 4.8 | 0 | 0 | 115 | ||
| 398 | F | 36 | Very low | 37.3 | Very low | 194 Ų | 194 | 143.5 Ų | 143.5 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -132.7 | 142.3 | 173.5 | -105.4 | -93.6 | 0 | 0 | 0 | 113 | ||
| 399 | I | 38.1 | Very low | 36.3 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | 67.6 | 67.5 | 178.2 | -39.6 | 177.7 | 0 | 0 | 0 | 114.3 | ||||
| 400 | D | 28.8 | Very low | 35.5 | Very low | 163 Ų | 163 | 141.3 Ų | 141.3 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | trans | -106.7 | 136.9 | 139.6 | -135.7 | -16.9 | 0 | 0 | 0 | 106.3 | ||||
| 401 | S | 30.5 | Very low | 34.4 | Very low | 100 Ų | 100 | 144.6 Ų | 144.6 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | 84.8 | 126.2 | -155.9 | -37.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 402 | D | 29.2 | Very low | 33.5 | Very low | 158 Ų | 158 | 146.7 Ų | 146.7 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | cis | -142.8 | -179.2 | 40.8 | -144.9 | -24.7 | 0 | 0 | 0 | 114.6 | ||||
| 403 | S | 30.3 | Very low | 32.9 | Very low | 104 Ų | 104 | 147.3 Ų | 147.3 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -101.3 | 165.1 | -175.6 | -62 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 404 | S | 31.3 | Very low | 32.1 | Very low | 99 Ų | 99 | 148.6 Ų | 148.6 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | trans | 60.6 | 107.1 | 159.5 | 177.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 405 | W | 33.5 | Very low | 31.4 | Very low | 247 Ų | 247 | 148 Ų | 148 | 94% | 0.936 | 79% | 0.786 | S | S | * | * | -143.1 | 135 | 128.1 | -87.5 | 101.4 | 0 | 0 | 0 | 110.4 | |||||
| 406 | C | 30.3 | Very low | 30.6 | Very low | 112 Ų | 112 | 152 Ų | 152 | 76% | 0.757 | 80% | 0.797 | S | S | * | * | trans | -115.7 | 160 | 165.2 | -77 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 407 | D | 26.6 | Very low | 30 | Very low | 132 Ų | 132 | 149.7 Ų | 149.7 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | 62.2 | 106.8 | 158.5 | -159.1 | 4.6 | 0 | 0 | 0 | 118.6 | S409 | D407-S409 PolarHBondContact OD1-N 2.89Š| ||
| 408 | L | 27.4 | Very low | 29.4 | Very low | 177 Ų | 177 | 146.2 Ų | 146.2 | 93% | 0.927 | 80% | 0.8 | S | S | * | * | trans | -149.9 | 94.7 | 140.4 | -85.6 | -169.2 | 0 | 0 | 0 | 108.9 | ||||
| 409 | S | 29.2 | Very low | 29 | Very low | 102 Ų | 102 | 140.6 Ų | 140.6 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | trans | -107.1 | 89.9 | 162.9 | 59.5 | 0 | 0 | 0 | 0 | 111.1 | D407 | D407-S409 PolarHBondContact OD1-N 2.89Š| ||
| 410 | S | 26.6 | Very low | 28.5 | Very low | 105 Ų | 105 | 143.1 Ų | 143.1 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -165.2 | 116.4 | 166.7 | -78.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 411 | F | 23.9 | Very low | 28.3 | Very low | 212 Ų | 212 | 140.5 Ų | 140.5 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | trans | 166.9 | 109.2 | 137.9 | -95.8 | -64.3 | 0 | 0 | 0 | 111.8 | ||||
| 412 | E | 28.4 | Very low | 28.8 | Very low | 184 Ų | 184 | 141.5 Ų | 141.5 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -119 | 162.2 | 154.5 | -81.5 | -174.4 | 113.5 | 0 | 0 | 106.6 | ||||
| 413 | F | 27.6 | Very low | 28.7 | Very low | 171 Ų | 171 | 138.7 Ų | 138.7 | 75% | 0.75 | 79% | 0.787 | S | S | * | * | cis | -166 | 143.3 | -27.4 | -179.1 | -84.7 | 0 | 0 | 0 | 107 | E415 | F413-E415 HydrophobicContact CE1-CB 4.27Š| ||
| 414 | S | 25.1 | Very low | 28.6 | Very low | 100 Ų | 100 | 142.8 Ų | 142.8 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | 169.1 | 129.1 | 156.5 | -92.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 415 | E | 30 | Very low | 28.6 | Very low | 159 Ų | 159 | 146.5 Ų | 146.5 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | cis | 83.8 | 100.8 | 49.3 | -172.5 | 171.9 | -150.6 | 0 | 0 | 113.2 | F413 | F413-E415 HydrophobicContact CE1-CB 4.27Š| ||
| 416 | E | 25.5 | Very low | 29.1 | Very low | 198 Ų | 198 | 139.8 Ų | 139.8 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | -158.1 | -177.3 | 114.8 | -152.9 | 160.6 | 136 | 0 | 0 | 109 | |||||
| 417 | A | 30.1 | Very low | 28.9 | Very low | 96 Ų | 96 | 141.1 Ų | 141.1 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | trans | -127.6 | 150.6 | -153.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 418 | A | 28.9 | Very low | 28.9 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | 169.4 | 165.1 | 144.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 419 | A | 27.6 | Very low | 29 | Very low | 77 Ų | 77 | 139.1 Ų | 139.1 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | cis | -171.3 | 156.2 | -42.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 420 | F | 27.5 | Very low | 28.9 | Very low | 206 Ų | 206 | 138.3 Ų | 138.3 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | trans | 60.4 | 123.5 | 164.5 | -67.5 | -72.2 | 0 | 0 | 0 | 122 | ||||
| 421 | S | 24.3 | Very low | 29 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -83.8 | 172.3 | 143 | -125.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 422 | P | 42.1 | Very low | 29.2 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | cis | -146.9 | -171.5 | 39.7 | 42.5 | -21 | 0 | 0 | 0 | 117.4 | ||||
| 423 | S | 26.8 | Very low | 29.2 | Very low | 99 Ų | 99 | 136.9 Ų | 136.9 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | trans | -67.1 | 144.2 | 174.8 | 175.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 424 | Q | 28.4 | Very low | 29.3 | Very low | 189 Ų | 189 | 135.8 Ų | 135.8 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | -164.9 | 156.2 | 125.6 | -112 | 169.1 | 93.1 | 0 | 0 | 114.5 | |||||
| 425 | Q | 31 | Very low | 29.4 | Very low | 177 Ų | 177 | 138.2 Ų | 138.2 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | -89.2 | -173.2 | 165.2 | -71.1 | -165.2 | -8.9 | 0 | 0 | 109.3 | ||||
| 426 | P | 43.8 | Very low | 29.3 | Very low | 106 Ų | 106 | 139.7 Ų | 139.7 | 69% | 0.688 | 77% | 0.771 | S | S | * | * | cis | -145.8 | -146.8 | 12.3 | 44.5 | -21.3 | 0 | 0 | 0 | 115.5 | ||||
| 427 | T | 26.6 | Very low | 29.4 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 86% | 0.859 | 76% | 0.762 | S | S | * | * | trans | 82.8 | 146.2 | 175.8 | 77.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 428 | G | 25.8 | Very low | 29.2 | Very low | 64 Ų | 64 | 136.7 Ų | 136.7 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | cis | 141.2 | 102 | -15.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 429 | K | 30.6 | Very low | 29.1 | Very low | 204 Ų | 204 | 141.6 Ų | 141.6 | 89% | 0.887 | 77% | 0.765 | S | S | * | * | trans | -177 | 136.3 | 159.6 | -94.3 | 137.5 | -168.6 | 176.1 | 0 | 107 | ||||
| 430 | A | 27.7 | Very low | 28.9 | Very low | 85 Ų | 85 | 141.6 Ų | 141.6 | 70% | 0.702 | 77% | 0.772 | S | S | * | * | 73.3 | 133.8 | 59.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 431 | F | 26.8 | Very low | 28.9 | Very low | 196 Ų | 196 | 138.8 Ų | 138.8 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | cis | -150.2 | -158 | 4 | -147.8 | -108.9 | 0 | 0 | 0 | 113.2 | ||||
| 432 | Q | 28.9 | Very low | 28.9 | Very low | 142 Ų | 142 | 145.5 Ų | 145.5 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | trans | -111.8 | 153.3 | -150.3 | -163 | -177.4 | -9.8 | 0 | 0 | 115.1 | ||||
| 433 | L | 28.3 | Very low | 28.2 | Very low | 132 Ų | 132 | 145.6 Ų | 145.6 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | trans | 70.3 | 123.8 | 152.8 | -120.6 | 76.5 | 0 | 0 | 0 | 123.1 | ||||
| 434 | Q | 29.4 | Very low | 28.4 | Very low | 149 Ų | 149 | 145.7 Ų | 145.7 | 70% | 0.696 | 79% | 0.791 | S | S | * | * | 121.6 | 128 | 113 | -153.2 | 162.4 | 16.1 | 0 | 0 | 121.5 | |||||
| 435 | Q | 27.9 | Very low | 28.4 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | 56 | 116.4 | 153.3 | -77.6 | -174.1 | 110.7 | 0 | 0 | 124.8 | ||||
| 436 | R | 27.4 | Very low | 28.5 | Very low | 190 Ų | 190 | 139 Ų | 139 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | 55.8 | 126.2 | 107.9 | -166.9 | 174.4 | -178.9 | 166.1 | 2.3 | 121.6 | |||||
| 437 | E | 27.8 | Very low | 28.7 | Very low | 159 Ų | 159 | 139.9 Ų | 139.9 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | trans | 68.3 | 141 | 155.5 | -81.4 | 163.5 | -162 | 0 | 0 | 121.2 | ||||
| 438 | G | 26.9 | Very low | 28.9 | Very low | 73 Ų | 73 | 136.4 Ų | 136.4 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | trans | 121.3 | 114.1 | 147.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 439 | H | 25.6 | Very low | 29.1 | Very low | 206 Ų | 206 | 140 Ų | 140 | 95% | 0.954 | 77% | 0.771 | S | S | * | * | trans | -20.2 | 135.2 | 161.8 | -80.3 | -108.5 | 0 | 0 | 0 | 118 | ||||
| 440 | G | 24 | Very low | 29.1 | Very low | 77 Ų | 77 | 140.8 Ų | 140.8 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | -177.6 | 115.1 | 166 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 441 | T | 26.1 | Very low | 29.2 | Very low | 146 Ų | 146 | 142.1 Ų | 142.1 | 90% | 0.896 | 77% | 0.767 | S | S | * | * | trans | -45 | 148.8 | 177.7 | 39.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 442 | R | 25.8 | Very low | 29.6 | Very low | 250 Ų | 250 | 138.6 Ų | 138.6 | 94% | 0.943 | 76% | 0.762 | S | S | * | * | trans | -36.7 | 151.8 | 166.1 | -69.9 | 171.1 | 163.7 | 162.6 | -7.6 | 116.1 | ||||
| 443 | S | 27.8 | Very low | 29.9 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | -81 | 149.3 | 164.5 | 52.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 444 | A | 30 | Very low | 30.1 | Very low | 102 Ų | 102 | 143.9 Ų | 143.9 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | trans | -169.4 | 142.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 445 | G | 29.2 | Very low | 30.3 | Very low | 75 Ų | 75 | 142.5 Ų | 142.5 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | 76.5 | 162.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 446 | E | 31.7 | Very low | 30.4 | Very low | 151 Ų | 151 | 142.4 Ų | 142.4 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | cis | -161.9 | -155.6 | -15.8 | -133.7 | -149.8 | 178.3 | 0 | 0 | 106.9 | S448 | E446-S448 VanDerWaalsContact CD-OG 3.22Å; E446-S448 WeakPolarHBondContact OE1-CA 3.19Å; E446-S448 WeakPolarHBondContact OE1-CB 3.4Å; E446-S448 PolarHBondContact OE1-OG 3.07Å; E446-S448 WeakPolarHBondContact OE2-CB 3.43Å; E446-S448 PolarHBondContact OE2-OG 2.67Å | ||
| 447 | P | 49 | Very low | 30.6 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | cis | -123 | 168.4 | 1.6 | 40.1 | -24 | 0 | 0 | 0 | 115.3 | ||||
| 448 | S | 29.8 | Very low | 30.5 | Very low | 68 Ų | 68 | 138.3 Ų | 138.3 | 48% | 0.476 | 77% | 0.77 | S | S | . | * | cis | -157.1 | -139.6 | -25.4 | -162.2 | 0 | 0 | 0 | 0 | 107 | E446 | E446-S448 VanDerWaalsContact CD-OG 3.22Å; E446-S448 WeakPolarHBondContact OE1-CA 3.19Å; E446-S448 WeakPolarHBondContact OE1-CB 3.4Å; E446-S448 PolarHBondContact OE1-OG 3.07Å; E446-S448 WeakPolarHBondContact OE2-CB 3.43Å; E446-S448 PolarHBondContact OE2-OG 2.67Å | ||
| 449 | L | 30.6 | Very low | 30.5 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 73% | 0.728 | 77% | 0.774 | S | S | * | * | cis | -150 | 149.4 | 13.4 | -90.1 | 178.3 | 0 | 0 | 0 | 112 | ||||
| 450 | R | 30.9 | Very low | 30.6 | Very low | 221 Ų | 221 | 135.2 Ų | 135.2 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | trans | 21.6 | 137.9 | 135.5 | -60.2 | -172 | -172.5 | -164.9 | 1.9 | 120.2 | ||||
| 451 | V | 29.7 | Very low | 30.8 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | cis | -168.2 | 135.1 | 10.2 | 111.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 452 | T | 34.2 | Very low | 31 | Very low | 121 Ų | 121 | 136 Ų | 136 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | 62.9 | 154.4 | 154.2 | 65.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 453 | R | 35.4 | Very low | 31.9 | Very low | 188 Ų | 188 | 130.5 Ų | 130.5 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | cis | -162.1 | 145.8 | -3.6 | -128.6 | -174.2 | 174.5 | 167.9 | 1.8 | 113.9 | ||||
| 454 | R | 33 | Very low | 31.8 | Very low | 197 Ų | 197 | 132.5 Ų | 132.5 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | trans | 61.4 | 151.4 | 149.7 | -79.3 | 179 | 174.5 | 172.7 | -4.2 | 119.2 | ||||
| 455 | V | 34.3 | Very low | 31.8 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | cis | -177.1 | 162.9 | -11.2 | 65.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 456 | L | 30.1 | Very low | 32.9 | Very low | 148 Ų | 148 | 133.7 Ų | 133.7 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | cis | -116.3 | -166.3 | 15.6 | -71.9 | 157.9 | 0 | 0 | 0 | 111 | ||||
| 457 | S | 29.9 | Very low | 32.7 | Very low | 89 Ų | 89 | 135.5 Ų | 135.5 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | cis | 77.4 | 141.1 | 15.9 | -78.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 458 | E | 27.6 | Very low | 31.9 | Very low | 175 Ų | 175 | 133.6 Ų | 133.6 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | cis | -169.4 | -170.8 | -12 | -139.2 | 163.8 | 127.5 | 0 | 0 | 113 | ||||
| 459 | A | 26.4 | Very low | 31.9 | Very low | 99 Ų | 99 | 140.6 Ų | 140.6 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | 78.1 | 152 | 162.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 460 | S | 26.7 | Very low | 31.9 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | cis | -161.7 | 172.7 | -27 | -164 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 461 | L | 28.6 | Very low | 31.7 | Very low | 164 Ų | 164 | 136.4 Ų | 136.4 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | trans | -55.5 | 144.8 | -172.4 | -59.2 | 157.3 | 0 | 0 | 0 | 118.8 | ||||
| 462 | G | 31 | Very low | 31.7 | Very low | 75 Ų | 75 | 140.7 Ų | 140.7 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | 81.6 | 123.6 | 123 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 463 | P | 43.9 | Very low | 31.7 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | -106.7 | 162.5 | 168.1 | 38.8 | -31.5 | 0 | 0 | 0 | 114.5 | ||||
| 464 | D | 26.5 | Very low | 32 | Very low | 165 Ų | 165 | 138 Ų | 138 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | trans | -134.6 | 177.3 | 178.8 | -151 | -25.2 | 0 | 0 | 0 | 111.8 | ||||
| 465 | S | 28.9 | Very low | 31.9 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | -79.2 | 179.4 | -173.5 | -143.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 466 | P | 52.9 | Low | 31.6 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 66% | 0.662 | 79% | 0.79 | S | S | * | * | -161.3 | -172.6 | 65.7 | 44.1 | -20.7 | 0 | 0 | 0 | 119.4 | |||||
| 467 | Q | 27.9 | Very low | 31.6 | Very low | 189 Ų | 189 | 136 Ų | 136 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | 70.4 | 162.1 | 161.5 | -62.1 | -179.5 | 12.4 | 0 | 0 | 118.7 | ||||
| 468 | A | 30.8 | Very low | 31.8 | Very low | 83 Ų | 83 | 139.4 Ų | 139.4 | 69% | 0.686 | 80% | 0.801 | S | S | * | * | cis | -176.3 | 166.4 | -32.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 469 | R | 30.3 | Very low | 31.9 | Very low | 214 Ų | 214 | 142 Ų | 142 | 81% | 0.808 | 80% | 0.804 | S | S | * | * | cis | -170.4 | 171.2 | -27.4 | -95.2 | -176.9 | 178.5 | -175.9 | 0.2 | 110.1 | ||||
| 470 | H | 30.9 | Very low | 32 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | trans | 81.4 | 96.2 | 155.5 | -59 | -64.9 | 0 | 0 | 0 | 124.6 | ||||
| 471 | S | 26.4 | Very low | 32.3 | Very low | 108 Ų | 108 | 152.8 Ų | 152.8 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | 55.7 | 119.2 | 123.8 | -165.4 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 472 | K | 30.1 | Very low | 32.3 | Very low | 203 Ų | 203 | 156.5 Ų | 156.5 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | 176.8 | 171.4 | 119.9 | -97 | 169 | -176 | 177.2 | 0 | 114.2 | |||||
| 473 | V | 34.6 | Very low | 32.2 | Very low | 135 Ų | 135 | 156.1 Ų | 156.1 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -123.6 | 143.7 | -174.7 | -157.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 474 | P | 41.8 | Very low | 31.5 | Very low | 119 Ų | 119 | 159 Ų | 159 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | -144.4 | 143.3 | 111.4 | 34.6 | -17.9 | 0 | 0 | 0 | 113.2 | |||||
| 475 | L | 30.3 | Very low | 31.6 | Very low | 156 Ų | 156 | 155.1 Ų | 155.1 | 82% | 0.817 | 80% | 0.802 | S | S | * | * | 59.9 | 128.3 | 79.7 | -159.8 | 73 | 0 | 0 | 0 | 116.3 | |||||
| 476 | V | 28.5 | Very low | 31.6 | Very low | 136 Ų | 136 | 155.9 Ų | 155.9 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | trans | -114.2 | 138.1 | -177 | 175.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 477 | V | 30.7 | Very low | 31.5 | Very low | 129 Ų | 129 | 156.8 Ų | 156.8 | 78% | 0.782 | 81% | 0.813 | S | S | * | * | trans | -141.3 | 146.7 | 172.4 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 478 | L | 33.3 | Very low | 31.6 | Very low | 162 Ų | 162 | 155.7 Ų | 155.7 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | trans | -83.5 | 145.6 | -172.3 | -67.7 | 158.6 | 0 | 0 | 0 | 115.7 | ||||
| 479 | R | 29.3 | Very low | 31.6 | Very low | 230 Ų | 230 | 155.6 Ų | 155.6 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | trans | -163.9 | 118.3 | 147.4 | -106.9 | 173.3 | 170 | 81.3 | -5.8 | 109.1 | ||||
| 480 | K | 29.5 | Very low | 31.5 | Very low | 196 Ų | 196 | 150.6 Ų | 150.6 | 85% | 0.852 | 82% | 0.816 | S | S | * | * | 82.1 | 118.2 | 78.1 | -172.7 | 173.3 | -178.7 | 173.2 | 0 | 114.2 | |||||
| 481 | R | 32.3 | Very low | 31.3 | Very low | 242 Ų | 242 | 146.8 Ų | 146.8 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | trans | -77.4 | 151.3 | 173.5 | -107.6 | -174.6 | 176.6 | -157.7 | 0 | 113 | ||||
| 482 | R | 28.7 | Very low | 31.4 | Very low | 243 Ų | 243 | 150 Ų | 150 | 92% | 0.917 | 82% | 0.824 | S | S | * | * | trans | -78.9 | 161.6 | 161.4 | -82.4 | 175.4 | 167 | 159.9 | -6.3 | 110.7 | ||||
| 483 | G | 28.4 | Very low | 32.2 | Very low | 66 Ų | 66 | 144.9 Ų | 144.9 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | cis | 118.6 | 95.9 | -9.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 484 | Q | 30.2 | Very low | 32 | Very low | 196 Ų | 196 | 143.4 Ų | 143.4 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | -172 | 147.5 | 161.1 | -87.5 | -126.8 | 6.1 | 0 | 0 | 107.8 | ||||
| 485 | A | 28 | Very low | 32.6 | Very low | 85 Ų | 85 | 143 Ų | 143 | 70% | 0.702 | 80% | 0.804 | S | S | * | * | cis | -152.7 | 164.5 | -10 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 486 | S | 28.8 | Very low | 32.5 | Very low | 116 Ų | 116 | 140.4 Ų | 140.4 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -74.6 | -177.9 | -175 | -53.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 487 | P | 51.7 | Low | 32.6 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | cis | -134.6 | -154.5 | 16.2 | 39.9 | -15.4 | 0 | 0 | 0 | 113.9 | ||||
| 488 | L | 29.1 | Very low | 32.6 | Very low | 167 Ų | 167 | 142.8 Ų | 142.8 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | cis | -150.8 | -117.8 | 11.2 | -146.8 | -170.3 | 0 | 0 | 0 | 113.9 | ||||
| 489 | A | 29.7 | Very low | 32.4 | Very low | 81 Ų | 81 | 138.4 Ų | 138.4 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | trans | -78.9 | 151.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 490 | A | 29.4 | Very low | 32.2 | Very low | 108 Ų | 108 | 134.7 Ų | 134.7 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | cis | 99.9 | 123.7 | 27.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 491 | G | 27.1 | Very low | 32.3 | Very low | 84 Ų | 84 | 130.7 Ų | 130.7 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | trans | 159.6 | 89.2 | 179 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 492 | E | 27.4 | Very low | 32.1 | Very low | 176 Ų | 176 | 126.3 Ų | 126.3 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | -91.5 | 177.6 | 160.7 | -84.2 | -75.8 | 178.4 | 0 | 0 | 109.3 | ||||
| 493 | P | 46.7 | Very low | 32 | Very low | 96 Ų | 96 | 120.3 Ų | 120.3 | 62% | 0.623 | 76% | 0.759 | S | S | * | * | cis | -139.1 | 159.4 | -17.1 | 34.2 | -14.7 | 0 | 0 | 0 | 116.7 | ||||
| 494 | S | 31.4 | Very low | 32 | Very low | 104 Ų | 104 | 121.6 Ų | 121.6 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | 67.3 | -175.9 | 137.4 | 75.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 495 | P | 54.8 | Low | 31.8 | Very low | 109 Ų | 109 | 117.9 Ų | 117.9 | 71% | 0.708 | 75% | 0.748 | S | S | * | * | -139.9 | -149.7 | -78.8 | 45.1 | -26 | 0 | 0 | 0 | 113.5 | |||||
| 496 | S | 27.3 | Very low | 32.1 | Very low | 102 Ų | 102 | 121.2 Ų | 121.2 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | 91.2 | 147.1 | 153.5 | 85.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 497 | L | 30.3 | Very low | 32.1 | Very low | 132 Ų | 132 | 125 Ų | 125 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | cis | -169.2 | 179.1 | -25.9 | -116 | 168.6 | 0 | 0 | 0 | 109 | ||||
| 498 | F | 30.1 | Very low | 31 | Very low | 183 Ų | 183 | 131 Ų | 131 | 80% | 0.803 | 76% | 0.762 | S | S | * | * | trans | 73.2 | 150.1 | 162.3 | -49.3 | -62 | 0 | 0 | 0 | 117.8 | ||||
| 499 | A | 29.2 | Very low | 31.2 | Very low | 71 Ų | 71 | 127.6 Ų | 127.6 | 59% | 0.587 | 75% | 0.753 | S | S | * | * | cis | -167.3 | 161.3 | -23.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 500 | D | 26.7 | Very low | 31.9 | Very low | 152 Ų | 152 | 129.5 Ų | 129.5 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | 34.8 | 148.3 | 129.6 | -55.5 | -22.7 | 0 | 0 | 0 | 121.7 | |||||
| 501 | V | 30.6 | Very low | 31.9 | Very low | 112 Ų | 112 | 130.2 Ų | 130.2 | 68% | 0.679 | 75% | 0.751 | S | S | * | * | cis | -163.3 | 156.3 | -1.1 | 117.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 502 | I | 29.4 | Very low | 32.1 | Very low | 150 Ų | 150 | 135.9 Ų | 135.9 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | 1.4 | 129.4 | 155.8 | -46.7 | 157.3 | 0 | 0 | 0 | 118.6 | ||||
| 503 | S | 25.4 | Very low | 32.2 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | 176 | 179.4 | 110.6 | -153.4 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 504 | S | 28.6 | Very low | 31.9 | Very low | 92 Ų | 92 | 136.1 Ų | 136.1 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | trans | -109.9 | 176.5 | -151.5 | 61.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 505 | T | 26.1 | Very low | 32.7 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | trans | 79.2 | 111 | 150.4 | 44 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 506 | L | 33.4 | Very low | 31.4 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | 42.7 | 124.1 | 128 | -78.9 | 162.3 | 0 | 0 | 0 | 121.7 | |||||
| 507 | K | 29.4 | Very low | 31.8 | Very low | 196 Ų | 196 | 141.2 Ų | 141.2 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | -176.5 | 132.1 | 122.8 | -100.9 | 149.5 | -170.2 | 167.2 | 0 | 117 | |||||
| 508 | R | 28.6 | Very low | 32.1 | Very low | 245 Ų | 245 | 140.8 Ų | 140.8 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | trans | 63.4 | 155.2 | 139.5 | -77 | -174.9 | 170.8 | 178.9 | -3.2 | 123.2 | ||||
| 509 | S | 33.7 | Very low | 32.2 | Very low | 97 Ų | 97 | 137.4 Ų | 137.4 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | trans | -132 | 164.8 | 170.6 | 57.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 510 | P | 44.2 | Very low | 32.5 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | -111 | 148.3 | 148.5 | 35.9 | -27.2 | 0 | 0 | 0 | 110.3 | ||||
| 511 | V | 29.8 | Very low | 32.7 | Very low | 123 Ų | 123 | 145.2 Ų | 145.2 | 75% | 0.745 | 79% | 0.793 | S | S | * | * | cis | 89 | 90.7 | 15.1 | -170.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 512 | K | 30 | Very low | 32.8 | Very low | 203 Ų | 203 | 147.4 Ų | 147.4 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | 168.8 | 148.9 | 140.8 | -93.2 | 162.4 | -177.4 | -179.3 | 0 | 108.9 | ||||
| 513 | S | 29.7 | Very low | 32.6 | Very low | 110 Ų | 110 | 146.9 Ų | 146.9 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | cis | -159.6 | 148.9 | -6.7 | 40.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 514 | L | 42 | Very low | 32.5 | Very low | 167 Ų | 167 | 147.8 Ų | 147.8 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -86.1 | 164.9 | 171.6 | -79.6 | 165 | 0 | 0 | 0 | 112.1 | ||||
| 515 | P | 48.2 | Very low | 32.5 | Very low | 109 Ų | 109 | 148.7 Ų | 148.7 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | -137 | 144.5 | 111.2 | 21.9 | -2.5 | 0 | 0 | 0 | 115.8 | |||||
| 516 | F | 27.4 | Very low | 32.4 | Very low | 204 Ų | 204 | 148.2 Ų | 148.2 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | trans | 39.1 | 125.9 | 149 | -69.6 | -84.8 | 0 | 0 | 0 | 123.1 | ||||
| 517 | S | 35.8 | Very low | 32 | Very low | 110 Ų | 110 | 147.8 Ų | 147.8 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -74 | 162.1 | 147.9 | -41 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 518 | P | 36.4 | Very low | 32.1 | Very low | 123 Ų | 123 | 146.1 Ų | 146.1 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | -149.4 | 174.6 | 83.8 | 41.3 | -25 | 0 | 0 | 0 | 115.8 | |||||
| 519 | S | 31.4 | Very low | 32.1 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -69.8 | 141.9 | 160.2 | -47.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 520 | Q | 35.8 | Very low | 31.8 | Very low | 174 Ų | 174 | 142.2 Ų | 142.2 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | -165.3 | 101.8 | 144.1 | -112.6 | 172.2 | 39.5 | 0 | 0 | 112 | ||||
| 521 | F | 30.6 | Very low | 30.9 | Very low | 214 Ų | 214 | 142 Ų | 142 | 94% | 0.939 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -123.5 | 136.7 | 145.5 | -98.4 | -77.6 | 0 | 0 | 0 | 107.7 | ||
| 522 | L | 32.2 | Very low | 30.7 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | -63.5 | 151.1 | -146.5 | -63.4 | 164.4 | 0 | 0 | 0 | 116.7 | ||||
| 523 | N | 25 | Very low | 30.8 | Very low | 139 Ų | 139 | 137.5 Ų | 137.5 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | -92.3 | 131.6 | 160.9 | 165.3 | 38.3 | 0 | 0 | 0 | 109.8 | ||||
| 524 | T | 24.2 | Very low | 30.6 | Very low | 137 Ų | 137 | 139 Ų | 139 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | -153.1 | 142.1 | 151.8 | 43.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 525 | S | 28.2 | Very low | 29.9 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | -129.3 | 129.5 | -176.9 | 57.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 526 | S | 24.3 | Very low | 30 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | -162.7 | 139.2 | 158.8 | 63.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 527 | N | 25.6 | Very low | 29.9 | Very low | 145 Ų | 145 | 131.5 Ų | 131.5 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | 51.5 | 131.1 | 61 | -67.9 | -15.3 | 0 | 0 | 0 | 111.8 | |||||
| 528 | H | 30.3 | Very low | 29.4 | Very low | 161 Ų | 161 | 133.5 Ų | 133.5 | 75% | 0.745 | 78% | 0.777 | S | S | * | * | cis | -147.8 | 165.7 | -1.4 | -143.4 | -122.6 | 0 | 0 | 0 | 104.9 | ||||
| 529 | E | 28.9 | Very low | 29.5 | Very low | 163 Ų | 163 | 132.6 Ų | 132.6 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | -165.2 | 154.7 | 51.7 | -70.9 | -165.2 | 73.3 | 0 | 0 | 111.5 | |||||
| 530 | S | 27.6 | Very low | 29.3 | Very low | 98 Ų | 98 | 132 Ų | 132 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | 35.5 | 144.9 | 130.2 | 121.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 531 | S | 26.2 | Very low | 29 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | cis | -159.7 | 161.6 | 1 | -68.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 532 | G | 25.3 | Very low | 30.3 | Very low | 65 Ų | 65 | 124.8 Ų | 124.8 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | cis | 153.9 | 148.3 | -2.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 533 | L | 31.3 | Very low | 30.2 | Very low | 167 Ų | 167 | 124.2 Ų | 124.2 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | trans | 66.6 | 159.4 | 172.2 | -51.7 | 175.9 | 0 | 0 | 0 | 115.4 | ||||
| 534 | D | 26.8 | Very low | 30.5 | Very low | 141 Ų | 141 | 124.6 Ų | 124.6 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | cis | -150.7 | -178 | -4 | -134.9 | -33.3 | 0 | 0 | 0 | 111.8 | ||||
| 535 | A | 26.5 | Very low | 30.9 | Very low | 79 Ų | 79 | 121.1 Ų | 121.1 | 65% | 0.653 | 74% | 0.744 | S | S | * | * | trans | -125 | 177.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 536 | P | 49.9 | Very low | 31.2 | Very low | 118 Ų | 118 | 124 Ų | 124 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | cis | -122.8 | -139.9 | -17.6 | 40.7 | -25.3 | 0 | 0 | 0 | 110.4 | ||||
| 537 | T | 24.8 | Very low | 31.5 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | trans | 113.8 | 141.7 | 146.8 | -30.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 538 | L | 26.6 | Very low | 31.9 | Very low | 152 Ų | 152 | 128.5 Ų | 128.5 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | trans | -66.8 | -169.9 | 162.8 | -62.1 | 166.2 | 0 | 0 | 0 | 111.7 | ||||
| 539 | P | 37.6 | Very low | 31.9 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | cis | -130.2 | -164.5 | -44.5 | 29.8 | -9.2 | 0 | 0 | 0 | 111.7 | ||||
| 540 | S | 26.8 | Very low | 32.2 | Very low | 98 Ų | 98 | 124.4 Ų | 124.4 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | trans | 80.9 | 119.3 | 148.2 | -59.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 541 | T | 29.8 | Very low | 32.1 | Very low | 128 Ų | 128 | 125 Ų | 125 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | 77.9 | 163.2 | 83.5 | 2.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 542 | P | 59.3 | Low | 32.2 | Very low | 109 Ų | 109 | 130 Ų | 130 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | -123.6 | -157 | -117.7 | 43.6 | -25.4 | 0 | 0 | 0 | 112.8 | |||||
| 543 | L | 29.5 | Very low | 32.2 | Very low | 145 Ų | 145 | 132.8 Ų | 132.8 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | trans | 170.3 | 130.8 | 139.6 | -85.7 | 156.5 | 0 | 0 | 0 | 107.7 | ||||
| 544 | I | 31.4 | Very low | 32.2 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | 60.7 | 132.1 | 81.5 | -62.3 | -170.2 | 0 | 0 | 0 | 112.9 | |||||
| 545 | G | 32 | Very low | 32.2 | Very low | 64 Ų | 64 | 133.4 Ų | 133.4 | 66% | 0.66 | 76% | 0.758 | S | S | * | * | cis | -154.9 | -149.8 | 4.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 546 | H | 35.3 | Very low | 32.6 | Very low | 171 Ų | 171 | 136.3 Ų | 136.3 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | cis | -154.4 | 165.4 | 26.1 | -98.3 | -124.5 | 0 | 0 | 0 | 113.1 | ||||
| 547 | K | 29.3 | Very low | 31.6 | Very low | 182 Ų | 182 | 140 Ų | 140 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | -27.6 | 150.5 | 171.9 | -52.4 | 178.6 | -179.8 | -179.5 | 0 | 117.4 | ||||
| 548 | L | 34.6 | Very low | 31.8 | Very low | 165 Ų | 165 | 140.4 Ų | 140.4 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | -158.7 | 172.7 | 63.5 | -82.9 | 166.8 | 0 | 0 | 0 | 114.5 | |||||
| 549 | T | 30.1 | Very low | 31.8 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | trans | -126.4 | 161.5 | -174.8 | -9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 550 | P | 35.9 | Very low | 31.6 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | -129.8 | 142.7 | 81 | 20.6 | -0.3 | 0 | 0 | 0 | 113.2 | |||||
| 551 | C | 25.1 | Very low | 31.7 | Very low | 110 Ų | 110 | 146.2 Ų | 146.2 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | 60.4 | 131.2 | 75.5 | -63.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 552 | R | 29.2 | Very low | 31.7 | Very low | 219 Ų | 219 | 146.8 Ų | 146.8 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | cis | -163.7 | 155.9 | 32.8 | -177.7 | 170.2 | 174.5 | 171.4 | -1.9 | 109.7 | ||||
| 553 | D | 25.3 | Very low | 30.4 | Very low | 125 Ų | 125 | 146.5 Ų | 146.5 | 67% | 0.668 | 77% | 0.773 | S | S | * | * | cis | -123.8 | 171.7 | 7 | -111.6 | -37.4 | 0 | 0 | 0 | 111.7 | ||||
| 554 | Q | 30.8 | Very low | 30.7 | Very low | 178 Ų | 178 | 146 Ų | 146 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -140.8 | 159.1 | 179.9 | -63.8 | -179.4 | 5.4 | 0 | 0 | 113.1 | ||||
| 555 | T | 26.7 | Very low | 30.6 | Very low | 143 Ų | 143 | 149 Ų | 149 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | -157.1 | 126.7 | 136.3 | 13.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 556 | V | 34.9 | Very low | 30.5 | Very low | 140 Ų | 140 | 157.1 Ų | 157.1 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | -146.5 | 138.3 | 172.3 | 176.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 557 | K | 29.9 | Very low | 30.2 | Very low | 195 Ų | 195 | 155.2 Ų | 155.2 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | -171.5 | 148.8 | 166.4 | -112.4 | 167.4 | -174.5 | 178.4 | 0 | 108 | ||||
| 558 | T | 27.6 | Very low | 30.7 | Very low | 135 Ų | 135 | 152.3 Ų | 152.3 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | cis | -143.3 | 179 | 14.9 | -45.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 559 | Q | 27.5 | Very low | 30.6 | Very low | 180 Ų | 180 | 148.7 Ų | 148.7 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | trans | -116.7 | 165 | -174.2 | -177.2 | -172 | 6.8 | 0 | 0 | 111.9 | ||||
| 560 | K | 33.7 | Very low | 30.7 | Very low | 163 Ų | 163 | 150.3 Ų | 150.3 | 71% | 0.709 | 79% | 0.785 | S | S | * | * | trans | 114.3 | 142.3 | 175.6 | -76.5 | -172.4 | 158.2 | -117 | 0 | 112.3 | ||||
| 561 | E | 27.7 | Very low | 30.6 | Very low | 132 Ų | 132 | 153.9 Ų | 153.9 | 62% | 0.617 | 79% | 0.788 | S | S | * | * | cis | -156.4 | 160.9 | -10 | -124.6 | 157.7 | -173.2 | 0 | 0 | 111.1 | ||||
| 562 | N | 29.4 | Very low | 31 | Very low | 141 Ų | 141 | 160.3 Ų | 160.3 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | 20.4 | 125.8 | 165.2 | -55.8 | -22.9 | 0 | 0 | 0 | 121.5 | ||||
| 563 | S | 32.1 | Very low | 31.1 | Very low | 102 Ų | 102 | 155.4 Ų | 155.4 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | cis | 81 | 133.2 | 40.6 | -170.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 564 | I | 36.9 | Very low | 32 | Very low | 134 Ų | 134 | 157.1 Ų | 157.1 | 69% | 0.687 | 80% | 0.804 | S | S | * | * | cis | -177 | 153.7 | -28.5 | -109 | 153 | 0 | 0 | 0 | 106.4 | ||||
| 565 | F | 28.6 | Very low | 32 | Very low | 212 Ų | 212 | 155.7 Ų | 155.7 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | trans | -152.8 | 108.1 | 137.3 | -112.2 | -70.8 | 0 | 0 | 0 | 110.8 | ||||
| 566 | R | 30.6 | Very low | 32.3 | Very low | 235 Ų | 235 | 155.9 Ų | 155.9 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | trans | -146.2 | 114.7 | 177.9 | -163.7 | -179.2 | -165.4 | -136.3 | 5.3 | 109.4 | ||||
| 567 | T | 29.1 | Very low | 32.4 | Very low | 130 Ų | 130 | 154.1 Ų | 154.1 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | trans | -72.2 | 143 | -174.5 | -45.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 568 | P | 39.8 | Very low | 32.3 | Very low | 122 Ų | 122 | 150.4 Ų | 150.4 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | trans | -81 | 167.3 | -172.1 | 32.6 | -37.8 | 0 | 0 | 0 | 114.2 | ||||
| 569 | A | 32.4 | Very low | 33.1 | Very low | 89 Ų | 89 | 149.9 Ų | 149.9 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | -111 | 158.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 570 | I | 31.1 | Very low | 33.8 | Very low | 151 Ų | 151 | 152.9 Ų | 152.9 | 77% | 0.774 | 79% | 0.787 | S | S | * | * | trans | 154.2 | 130.1 | 142.3 | -82.8 | 163.7 | 0 | 0 | 0 | 112.4 | ||||
| 571 | K | 34.1 | Very low | 34.2 | Very low | 195 Ų | 195 | 151.1 Ų | 151.1 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | 56.7 | 105.6 | 160.3 | -69.4 | 163.4 | -169.6 | 178.3 | 0 | 120.7 | ||||
| 572 | R | 33.8 | Very low | 34.9 | Very low | 245 Ų | 245 | 151 Ų | 151 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | -125.3 | 127.6 | 127.4 | -67.5 | -178.2 | 172.4 | 97.7 | -0.3 | 105.5 | |||||
| 573 | S | 30.9 | Very low | 36 | Very low | 117 Ų | 117 | 149.2 Ų | 149.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | cis | 77.5 | 108.6 | 46.7 | -158.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 574 | I | 43.7 | Very low | 36.7 | Very low | 160 Ų | 160 | 149.2 Ų | 149.2 | 82% | 0.821 | 79% | 0.793 | S | S | * | * | trans | -57.6 | 125.2 | -175.9 | -50.8 | 158.1 | 0 | 0 | 0 | 111.7 | ||||
| 575 | L | 32.4 | Very low | 37.2 | Very low | 149 Ų | 149 | 150.7 Ų | 150.7 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | trans | -178.3 | 150.8 | 132 | -131.3 | 67.4 | 0 | 0 | 0 | 113.4 | ||||
| 576 | E | 32.1 | Very low | 38.5 | Very low | 147 Ų | 147 | 148.9 Ų | 148.9 | 69% | 0.687 | 79% | 0.786 | S | S | * | * | trans | 32.6 | 107.8 | 147.2 | -104.7 | 38.4 | -125.5 | 0 | 0 | 123.5 | ||||
| 577 | S | 36 | Very low | 39.8 | Very low | 102 Ų | 102 | 144.9 Ų | 144.9 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | 74.6 | 138 | 119.6 | 79.4 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 578 | S | 28.8 | Very low | 41.2 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | trans | -153.7 | 152.1 | 147.2 | -86.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 579 | P | 45.2 | Very low | 42.3 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | trans | -88 | 145.4 | -135 | 30.4 | -36.8 | 0 | 0 | 0 | 115.6 | ||||
| 580 | R | 42.2 | Very low | 43.9 | Very low | 243 Ų | 243 | 138.8 Ų | 138.8 | 92% | 0.917 | 73% | 0.734 | S | S | * | * | trans | -133.8 | 152.6 | 154.3 | -78.1 | -167.8 | 167.7 | 96.8 | -0.8 | 110.1 | ||||
| 581 | T | 40.8 | Very low | 45.5 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 77% | 0.767 | 71% | 0.714 | S | S | * | * | trans | -56.2 | 141.4 | -172.3 | 45.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 582 | P | 43.4 | Very low | 47 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 84% | 0.844 | 70% | 0.699 | S | S | * | * | trans | -71.7 | 130.9 | -177.8 | 29.6 | -34.8 | 0 | 0 | 0 | 112.1 | ||||
| 583 | T | 52.5 | Low | 48.7 | Very low | 103 Ų | 103 | 123.5 Ų | 123.5 | 63% | 0.632 | 68% | 0.68 | S | S | * | * | trans | -111.9 | 132.5 | 164 | 43.7 | 0 | 0 | 0 | 0 | 109.4 | F585 | T583-F585 VanDerWaalsContact C-N 3.34Å; T583-F585 PolarHBondContact O-N 2.92Å | ||
| 584 | P | 45.3 | Very low | 50.6 | Low | 102 Ų | 102 | 124.9 Ų | 124.9 | 66% | 0.662 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -29.9 | -162.6 | 23.7 | -34.1 | 0 | 0 | 0 | 114.3 | K586 H587 A588 | P584-K586 VanDerWaalsContact C-N 3.29Å; P584-K586 PolarHBondContact O-N 3.43Å; P584-H587 PolarHBondContact O-N 3.38Å; P584-H587 VanDerWaalsContact O-N 3.12Å; P584-A588 PolarHBondContact O-N 3.32Å |
| 585 | F | 49.1 | Very low | 51.7 | Low | 166 Ų | 166 | 125.1 Ų | 125.1 | 73% | 0.728 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -59.2 | -32.7 | -175.6 | -75.3 | -87 | 0 | 0 | 0 | 114.5 | T583 H587 A588 L589 | T583-F585 VanDerWaalsContact C-N 3.34Å; T583-F585 PolarHBondContact O-N 2.92Å; F585-H587 VanDerWaalsContact C-N 3.28Å; F585-H587 PolarHBondContact O-N 3.26Å; F585-A588 PolarHBondContact O-N 2.89Å; F585-L589 PolarHBondContact O-N 3.25Å |
| 586 | K | 54.6 | Low | 53.2 | Low | 173 Ų | 173 | 126.5 Ų | 126.5 | 75% | 0.752 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -65.9 | -32.9 | 179.4 | -168.2 | 177.1 | -179 | -175 | 0 | 112.1 | P584 A590 | P584-K586 VanDerWaalsContact C-N 3.29Å; P584-K586 PolarHBondContact O-N 3.43Å; K586-A590 WeakPolarHBondContact O-CB 3.19Å; K586-A590 PolarHBondContact O-N 2.97Å |
| 587 | H | 58 | Low | 55 | Low | 151 Ų | 151 | 120.8 Ų | 120.8 | 70% | 0.699 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -78.7 | -26.5 | 179.6 | -154.2 | -49.7 | 0 | 0 | 0 | 112.4 | P584 F585 A591 | P584-H587 PolarHBondContact O-N 3.38Å; P584-H587 VanDerWaalsContact O-N 3.12Å; F585-H587 VanDerWaalsContact C-N 3.28Å; F585-H587 PolarHBondContact O-N 3.26Å; H587-A591 VanDerWaalsContact O-CB 3.28Å; H587-A591 WeakPolarHBondContact O-CB 3.32Å; H587-A591 PolarHBondContact O-N 3.34Å; H587-A591 VanDerWaalsContact O-N 3.08Å |
| 588 | A | 59.7 | Low | 55.9 | Low | 58 Ų | 58 | 121 Ų | 121 | 48% | 0.479 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -68.4 | -50.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | P584 F585 A590 A591 Q592 | P584-A588 PolarHBondContact O-N 3.32Å; F585-A588 PolarHBondContact O-N 2.89Å; A588-A590 PolarHBondContact O-N 3.03Å; A588-A591 PolarHBondContact O-N 2.7Å; A588-Q592 PolarHBondContact O-N 3.43Å |
| 589 | L | 62.6 | Low | 56.8 | Low | 115 Ų | 115 | 122.4 Ų | 122.4 | 60% | 0.602 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -60.8 | -44.2 | 178 | -68.8 | 171.8 | 0 | 0 | 0 | 112 | F585 A591 Q592 E593 | F585-L589 PolarHBondContact O-N 3.25Å; L589-A591 PolarHBondContact O-N 2.7Å; L589-Q592 WeakPolarHBondContact O-CB 3.34Å; L589-Q592 PolarHBondContact O-N 2.69Å; L589-E593 PolarHBondContact O-N 2.96Å |
| 590 | A | 64.7 | Low | 56.9 | Low | 40 Ų | 40 | 126 Ų | 126 | 33% | 0.331 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -61.8 | -40.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K586 A588 Q592 E593 I594 | K586-A590 WeakPolarHBondContact O-CB 3.19Å; K586-A590 PolarHBondContact O-N 2.97Å; A588-A590 PolarHBondContact O-N 3.03Å; A590-Q592 VanDerWaalsContact C-N 3.3Å; A590-Q592 PolarHBondContact O-N 2.9Å; A590-E593 PolarHBondContact O-N 2.93Å; A590-I594 WeakPolarHBondContact O-CB 3.48Å; A590-I594 WeakPolarHBondContact O-CD1 3.46Å; A590-I594 WeakPolarHBondContact O-CG1 3.44Å; A590-I594 PolarHBondContact O-N 2.88Å |
| 591 | A | 66.1 | Low | 57.1 | Low | 44 Ų | 44 | 122.6 Ų | 122.6 | 36% | 0.364 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -67.7 | -30.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | H587 A588 L589 K595 | H587-A591 VanDerWaalsContact O-CB 3.28Å; H587-A591 WeakPolarHBondContact O-CB 3.32Å; H587-A591 PolarHBondContact O-N 3.34Å; H587-A591 VanDerWaalsContact O-N 3.08Å; A588-A591 PolarHBondContact O-N 2.7Å; L589-A591 PolarHBondContact O-N 2.7Å; A591-K595 WeakPolarHBondContact O-CB 3.36Å; A591-K595 PolarHBondContact O-N 2.94Å; A591-K595 VanDerWaalsContact O-N 3.13Å |
| 592 | Q | 66.1 | Low | 57.3 | Low | 111 Ų | 111 | 123.6 Ų | 123.6 | 52% | 0.519 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -72.2 | -45.9 | 175.6 | -163.4 | 171.2 | 12.2 | 0 | 0 | 111.1 | A588 L589 A590 I594 K595 Y596 | A588-Q592 PolarHBondContact O-N 3.43Å; L589-Q592 WeakPolarHBondContact O-CB 3.34Å; L589-Q592 PolarHBondContact O-N 2.69Å; A590-Q592 VanDerWaalsContact C-N 3.3Å; A590-Q592 PolarHBondContact O-N 2.9Å; Q592-I594 VanDerWaalsContact C-N 3.32Å; Q592-I594 PolarHBondContact O-N 2.88Å; Q592-K595 PolarHBondContact O-N 3.45Å; Q592-K595 VanDerWaalsContact O-N 3.16Å; Q592-Y596 HydrophobicContact CG-CD2 4.06Å; Q592-Y596 WeakPolarHBondContact O-CD2 3.26Å; Q592-Y596 PolarHBondContact O-N 3.23Å |
| 593 | E | 68.3 | Low | 57.2 | Low | 115 Ų | 115 | 122.8 Ų | 122.8 | 54% | 0.537 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -62.5 | -36.9 | 174.6 | -171.4 | 171.5 | -151.1 | 0 | 0 | 112.2 | L589 A590 G597 | L589-E593 PolarHBondContact O-N 2.96Å; A590-E593 PolarHBondContact O-N 2.93Å; E593-G597 CarbonylContact O-C 3.59Å; E593-G597 WeakPolarHBondContact O-CA 3.49Å; E593-G597 PolarHBondContact O-N 3.43Å |
| 594 | I | 71.1 | Confident | 56.6 | Low | 147 Ų | 147 | 125 Ų | 125 | 75% | 0.754 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.6 | -32.9 | 174.2 | -70.3 | 165 | 0 | 0 | 0 | 112.4 | A590 Q592 | A590-I594 WeakPolarHBondContact O-CB 3.48Å; A590-I594 WeakPolarHBondContact O-CD1 3.46Å; A590-I594 WeakPolarHBondContact O-CG1 3.44Å; A590-I594 PolarHBondContact O-N 2.88Å; Q592-I594 VanDerWaalsContact C-N 3.32Å; Q592-I594 PolarHBondContact O-N 2.88Å |
| 595 | K | 66.3 | Low | 56.8 | Low | 165 Ų | 165 | 124.7 Ų | 124.7 | 72% | 0.717 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -82.7 | -34.5 | 179.5 | -90.4 | -167.1 | 169.1 | -170.6 | 0 | 114.6 | A591 Q592 | A591-K595 WeakPolarHBondContact O-CB 3.36Å; A591-K595 PolarHBondContact O-N 2.94Å; A591-K595 VanDerWaalsContact O-N 3.13Å; Q592-K595 PolarHBondContact O-N 3.45Å; Q592-K595 VanDerWaalsContact O-N 3.16Å |
| 596 | Y | 65.3 | Low | 56.9 | Low | 177 Ų | 177 | 122.2 Ų | 122.2 | 69% | 0.694 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -120.6 | -4.6 | -169.1 | -59.6 | -77.2 | 0 | 0 | 0 | 113.9 | Q592 | Q592-Y596 HydrophobicContact CG-CD2 4.06Å; Q592-Y596 WeakPolarHBondContact O-CD2 3.26Å; Q592-Y596 PolarHBondContact O-N 3.23Å |
| 597 | G | 68.6 | Low | 56.8 | Low | 27 Ų | 27 | 117.3 Ų | 117.3 | 28% | 0.278 | 63% | 0.627 | S | S | . | * | trans | 80.9 | 175 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E593 L599 | E593-G597 CarbonylContact O-C 3.59Å; E593-G597 WeakPolarHBondContact O-CA 3.49Å; E593-G597 PolarHBondContact O-N 3.43Å; G597-L599 PolarHBondContact O-N 2.92Å | ||
| 598 | P | 56.3 | Low | 56.4 | Low | 106 Ų | 106 | 114.6 Ų | 114.6 | 69% | 0.688 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -66.8 | 123.2 | 178.9 | -20 | 33.4 | 0 | 0 | 0 | 111.3 | K600 | P598-K600 PolarHBondContact O-N 3.16Š|
| 599 | L | 48 | Very low | 56.4 | Low | 148 Ų | 148 | 114.2 Ų | 114.2 | 78% | 0.775 | 61% | 0.611 | S | S | * | * | trans | -66.7 | 104.1 | -176.1 | -69.2 | 172.6 | 0 | 0 | 0 | 111.8 | G597 M601 | G597-L599 PolarHBondContact O-N 2.92Å; L599-M601 PolarHBondContact O-N 3.16Å | ||
| 600 | K | 45.7 | Very low | 56.5 | Low | 201 Ų | 201 | 112.5 Ų | 112.5 | 87% | 0.874 | 61% | 0.605 | S | S | * | * | trans | -73.7 | 100.1 | 164.1 | -83.2 | -172 | 172.9 | -177.6 | 0 | 109.8 | P598 L602 | P598-K600 PolarHBondContact O-N 3.16Å; K600-L602 VanDerWaalsContact C-N 3.32Å; K600-L602 PolarHBondContact O-N 2.94Å | ||
| 601 | M | 46.8 | Very low | 56.7 | Low | 171 Ų | 171 | 116.2 Ų | 116.2 | 84% | 0.842 | 62% | 0.616 | S | S | * | * | trans | -69.7 | 89.7 | 164.4 | -67 | -55.3 | -59.2 | 0 | 0 | 109.9 | L599 | L599-M601 PolarHBondContact O-N 3.16Š| ||
| 602 | L | 44.8 | Very low | 56.6 | Low | 145 Ų | 145 | 118.3 Ų | 118.3 | 76% | 0.759 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 136.4 | 162.9 | -166.5 | 73.5 | 0 | 0 | 0 | 107.8 | K600 Q604 | K600-L602 VanDerWaalsContact C-N 3.32Å; K600-L602 PolarHBondContact O-N 2.94Å; L602-Q604 PolarHBondContact O-N 3.43Å; L602-Q604 VanDerWaalsContact O-N 3.17Å |
| 603 | P | 41.6 | Very low | 56.7 | Low | 114 Ų | 114 | 118.4 Ų | 118.4 | 74% | 0.74 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 118.1 | 177 | 26 | -33.6 | 0 | 0 | 0 | 110.2 | ||
| 604 | Q | 39.4 | Very low | 56.7 | Low | 149 Ų | 149 | 118.9 Ų | 118.9 | 70% | 0.696 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 135.9 | 171 | -71.9 | 177.1 | -34.3 | 0 | 0 | 109.7 | L602 | L602-Q604 PolarHBondContact O-N 3.43Å; L602-Q604 VanDerWaalsContact O-N 3.17Å |
| 605 | T | 49.9 | Very low | 56.5 | Low | 95 Ų | 95 | 116.3 Ų | 116.3 | 58% | 0.583 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -74 | 147.8 | 172.7 | 45.6 | 0 | 0 | 0 | 0 | 110.8 | S607 H608 | T605-S607 PolarHBondContact O-N 2.86Å; T605-H608 PolarHBondContact O-N 3.32Å |
| 606 | P | 52.2 | Low | 56.4 | Low | 115 Ų | 115 | 111.9 Ų | 111.9 | 75% | 0.747 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -59.3 | -19 | -166.7 | -27.9 | 36 | 0 | 0 | 0 | 116.9 | ||
| 607 | S | 51.5 | Low | 56.5 | Low | 70 Ų | 70 | 108.4 Ų | 108.4 | 49% | 0.49 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.2 | -44.4 | 179.6 | 46 | 0 | 0 | 0 | 0 | 113.7 | T605 A609 V610 E611 | T605-S607 PolarHBondContact O-N 2.86Å; S607-A609 VanDerWaalsContact C-N 3.29Å; S607-A609 PolarHBondContact O-N 3.4Å; S607-V610 WeakPolarHBondContact O-CB 3.46Å; S607-V610 PolarHBondContact O-N 2.84Å; S607-V610 VanDerWaalsContact O-N 3.07Å; S607-E611 PolarHBondContact O-N 2.99Å |
| 608 | H | 50.6 | Low | 56.3 | Low | 94 Ų | 94 | 113.4 Ų | 113.4 | 44% | 0.435 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68.6 | -28.7 | -170.3 | -155 | -46.8 | 0 | 0 | 0 | 112.8 | T605 V610 E611 D612 | T605-H608 PolarHBondContact O-N 3.32Å; H608-V610 VanDerWaalsContact C-N 3.31Å; H608-E611 PolarHBondContact O-N 3.43Å; H608-D612 IonicContact CE1-OD1 2.66Å; H608-D612 PolarHBondContact CE1-OD1 3.44Å; H608-D612 IonicContact ND1-OD1 3.49Å; H608-D612 PolarHBondContact ND1-OD1 3.05Å; H608-D612 PolarHBondContact O-N 2.92Å; H608-D612 VanDerWaalsContact O-N 3.09Å |
| 609 | A | 58.1 | Low | 56.1 | Low | 49 Ų | 49 | 115.1 Ų | 115.1 | 41% | 0.405 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -72.8 | -24 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S607 L613 | S607-A609 VanDerWaalsContact C-N 3.29Å; S607-A609 PolarHBondContact O-N 3.4Å; A609-L613 WeakPolarHBondContact O-CB 3.47Å; A609-L613 WeakPolarHBondContact O-CD1 3.43Å; A609-L613 VanDerWaalsContact O-CG 3.24Å; A609-L613 WeakPolarHBondContact O-CG 3.43Å; A609-L613 PolarHBondContact O-N 2.8Å |
| 610 | V | 65.9 | Low | 56.4 | Low | 79 Ų | 79 | 114.6 Ų | 114.6 | 48% | 0.479 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -78 | -33.4 | 175.5 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | S607 H608 Q614 | S607-V610 WeakPolarHBondContact O-CB 3.46Å; S607-V610 PolarHBondContact O-N 2.84Å; S607-V610 VanDerWaalsContact O-N 3.07Å; H608-V610 VanDerWaalsContact C-N 3.31Å; V610-Q614 WeakPolarHBondContact O-CG 3.5Å; V610-Q614 PolarHBondContact O-N 3.49Å; V610-Q614 VanDerWaalsContact O-N 3.11Å |
| 611 | E | 68.2 | Low | 56.6 | Low | 119 Ų | 119 | 109.1 Ų | 109.1 | 56% | 0.556 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -70.5 | -49.3 | 175.5 | -67.3 | 170.7 | 140.8 | 0 | 0 | 110.6 | S607 H608 L613 Q614 D615 | S607-E611 PolarHBondContact O-N 2.99Å; H608-E611 PolarHBondContact O-N 3.43Å; E611-L613 VanDerWaalsContact C-N 3.32Å; E611-L613 PolarHBondContact O-N 3Å; E611-Q614 PolarHBondContact O-N 2.8Å; E611-Q614 VanDerWaalsContact O-N 3.11Å; E611-D615 PolarHBondContact O-N 2.78Å |
| 612 | D | 64.7 | Low | 56.6 | Low | 87 Ų | 87 | 107.8 Ų | 107.8 | 47% | 0.465 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -55.1 | -43.4 | 173.8 | -76.5 | 26.5 | 0 | 0 | 0 | 112.3 | H608 D615 V616 | H608-D612 IonicContact CE1-OD1 2.66Å; H608-D612 PolarHBondContact CE1-OD1 3.44Å; H608-D612 IonicContact ND1-OD1 3.49Å; H608-D612 PolarHBondContact ND1-OD1 3.05Å; H608-D612 PolarHBondContact O-N 2.92Å; H608-D612 VanDerWaalsContact O-N 3.09Å; D612-D615 PolarHBondContact O-N 3.37Å; D612-V616 WeakPolarHBondContact O-CG2 3.39Å; D612-V616 PolarHBondContact O-N 2.59Å |
| 613 | L | 67.4 | Low | 56.7 | Low | 114 Ų | 114 | 109.4 Ų | 109.4 | 60% | 0.597 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.8 | -34.5 | 177.9 | -77.6 | 171.7 | 0 | 0 | 0 | 113.1 | A609 E611 I617 | A609-L613 WeakPolarHBondContact O-CB 3.47Å; A609-L613 WeakPolarHBondContact O-CD1 3.43Å; A609-L613 VanDerWaalsContact O-CG 3.24Å; A609-L613 WeakPolarHBondContact O-CG 3.43Å; A609-L613 PolarHBondContact O-N 2.8Å; E611-L613 VanDerWaalsContact C-N 3.32Å; E611-L613 PolarHBondContact O-N 3Å; L613-I617 WeakPolarHBondContact O-CD1 3.4Å; L613-I617 VanDerWaalsContact O-CG1 3.29Å; L613-I617 WeakPolarHBondContact O-CG1 3.48Å; L613-I617 PolarHBondContact O-N 2.99Å; L613-I617 VanDerWaalsContact O-N 3.17Å |
| 614 | Q | 67.6 | Low | 56.5 | Low | 125 Ų | 125 | 109.5 Ų | 109.5 | 58% | 0.584 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -69.4 | -40.9 | 175.1 | -77.5 | -179.9 | 42.3 | 0 | 0 | 111.6 | V610 E611 I617 K618 | V610-Q614 WeakPolarHBondContact O-CG 3.5Å; V610-Q614 PolarHBondContact O-N 3.49Å; V610-Q614 VanDerWaalsContact O-N 3.11Å; E611-Q614 PolarHBondContact O-N 2.8Å; E611-Q614 VanDerWaalsContact O-N 3.11Å; Q614-I617 PolarHBondContact O-N 3.01Å; Q614-K618 WeakPolarHBondContact O-CB 3.44Å; Q614-K618 PolarHBondContact O-N 3.47Å |
| 615 | D | 67.1 | Low | 56.2 | Low | 93 Ų | 93 | 105 Ų | 105 | 50% | 0.497 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.6 | -32.6 | 178.1 | -85.8 | -14 | 0 | 0 | 0 | 112.7 | E611 D612 K618 Q619 | E611-D615 PolarHBondContact O-N 2.78Å; D612-D615 PolarHBondContact O-N 3.37Å; D615-K618 PolarHBondContact O-N 2.99Å; D615-Q619 WeakPolarHBondContact O-CG 3.45Å; D615-Q619 PolarHBondContact O-N 2.94Å |
| 616 | V | 65.4 | Low | 55.4 | Low | 71 Ų | 71 | 108.6 Ų | 108.6 | 43% | 0.43 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.8 | -51.5 | 170.6 | 169.8 | 0 | 0 | 0 | 0 | 111.5 | D612 K618 Q619 E620 | D612-V616 WeakPolarHBondContact O-CG2 3.39Å; D612-V616 PolarHBondContact O-N 2.59Å; V616-K618 PolarHBondContact O-N 3.4Å; V616-Q619 PolarHBondContact O-N 3.46Å; V616-Q619 VanDerWaalsContact O-N 3.14Å; V616-E620 PolarHBondContact O-N 3.32Å |
| 617 | I | 66.4 | Low | 54.4 | Low | 105 Ų | 105 | 109.4 Ų | 109.4 | 54% | 0.538 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -59.1 | -32.9 | 178.9 | -69.9 | 167.1 | 0 | 0 | 0 | 111.2 | L613 Q614 S621 | L613-I617 WeakPolarHBondContact O-CD1 3.4Å; L613-I617 VanDerWaalsContact O-CG1 3.29Å; L613-I617 WeakPolarHBondContact O-CG1 3.48Å; L613-I617 PolarHBondContact O-N 2.99Å; L613-I617 VanDerWaalsContact O-N 3.17Å; Q614-I617 PolarHBondContact O-N 3.01Å; I617-S621 WeakPolarHBondContact O-CB 3.5Å; I617-S621 PolarHBondContact O-N 3Å; I617-S621 VanDerWaalsContact O-N 3.13Å; I617-S621 PolarHBondContact O-OG 3.29Å |
| 618 | K | 65.6 | Low | 53.5 | Low | 132 Ų | 132 | 110 Ų | 110 | 57% | 0.574 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -74.8 | -38.7 | 178.3 | -162.6 | 174.4 | -177.2 | -175.8 | 0 | 112.6 | Q614 D615 V616 S621 D622 | Q614-K618 WeakPolarHBondContact O-CB 3.44Å; Q614-K618 PolarHBondContact O-N 3.47Å; D615-K618 PolarHBondContact O-N 2.99Å; V616-K618 PolarHBondContact O-N 3.4Å; K618-S621 WeakPolarHBondContact O-CB 3.47Å; K618-S621 PolarHBondContact O-N 3.42Å; K618-D622 PolarHBondContact O-N 2.93Å |
| 619 | Q | 52 | Low | 52.4 | Low | 141 Ų | 141 | 113.3 Ų | 113.3 | 66% | 0.659 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.2 | -44.3 | 171.3 | -74.9 | 178 | 9.1 | 0 | 0 | 111.8 | D615 V616 S621 D622 E623 | D615-Q619 WeakPolarHBondContact O-CG 3.45Å; D615-Q619 PolarHBondContact O-N 2.94Å; V616-Q619 PolarHBondContact O-N 3.46Å; V616-Q619 VanDerWaalsContact O-N 3.14Å; Q619-S621 PolarHBondContact O-N 3.33Å; Q619-D622 PolarHBondContact O-N 3.29Å; Q619-E623 PolarHBondContact O-N 3.2Å |
| 620 | E | 53.2 | Low | 51 | Low | 137 Ų | 137 | 119.2 Ų | 119.2 | 64% | 0.64 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -63.8 | -26.7 | 176.4 | -68.9 | -175.5 | 165.3 | 0 | 0 | 112.9 | V616 | V616-E620 PolarHBondContact O-N 3.32Å |
| 621 | S | 49.8 | Very low | 49.3 | Very low | 87 Ų | 87 | 123.2 Ų | 123.2 | 61% | 0.608 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73.4 | -29.6 | 176.4 | -61.8 | 0 | 0 | 0 | 0 | 113.8 | I617 K618 Q619 | I617-S621 WeakPolarHBondContact O-CB 3.5Å; I617-S621 PolarHBondContact O-N 3Å; I617-S621 VanDerWaalsContact O-N 3.13Å; I617-S621 PolarHBondContact O-OG 3.29Å; K618-S621 WeakPolarHBondContact O-CB 3.47Å; K618-S621 PolarHBondContact O-N 3.42Å; Q619-S621 PolarHBondContact O-N 3.33Å |
| 622 | D | 46.5 | Very low | 47.4 | Very low | 142 Ų | 142 | 126.2 Ų | 126.2 | 76% | 0.759 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -95.8 | -17.1 | -174.2 | -77.4 | -27.7 | 0 | 0 | 0 | 113.9 | K618 Q619 | K618-D622 PolarHBondContact O-N 2.93Å; Q619-D622 PolarHBondContact O-N 3.29Å |
| 623 | E | 46.9 | Very low | 45.7 | Very low | 180 Ų | 180 | 127.4 Ų | 127.4 | 84% | 0.841 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -96.7 | 0.6 | -178.3 | -144.7 | -176.4 | 135.5 | 0 | 0 | 115.1 | Q619 G625 | Q619-E623 PolarHBondContact O-N 3.2Å; E623-G625 PolarHBondContact O-N 3.42Å |
| 624 | S | 37.9 | Very low | 43.9 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 80% | 0.804 | 69% | 0.69 | S | S | * | * | trans | -101 | 56.2 | -179.8 | -70.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 625 | G | 33.8 | Very low | 42.7 | Very low | 55 Ų | 55 | 125 Ų | 125 | 57% | 0.567 | 70% | 0.699 | S | S | * | * | trans | -129.2 | 142.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | E623 | E623-G625 PolarHBondContact O-N 3.42Š| ||
| 626 | I | 32.6 | Very low | 41.1 | Very low | 170 Ų | 170 | 126.5 Ų | 126.5 | 87% | 0.872 | 71% | 0.714 | S | S | * | * | trans | 63 | 116.9 | 177 | -17.7 | 174.4 | 0 | 0 | 0 | 112.3 | ||||
| 627 | V | 31.3 | Very low | 39.6 | Very low | 133 Ų | 133 | 131.1 Ų | 131.1 | 81% | 0.806 | 74% | 0.736 | S | S | * | * | -152.5 | 146.6 | 55.3 | 163.8 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 628 | A | 33 | Very low | 38 | Very low | 83 Ų | 83 | 133.3 Ų | 133.3 | 69% | 0.686 | 75% | 0.748 | S | S | * | * | trans | -76 | 151.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 629 | E | 27.2 | Very low | 36.5 | Very low | 163 Ų | 163 | 135.5 Ų | 135.5 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | -173.1 | 170.3 | 86 | -90.8 | 179 | 171.9 | 0 | 0 | 109.6 | |||||
| 630 | F | 28.3 | Very low | 35.5 | Very low | 173 Ų | 173 | 137 Ų | 137 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | cis | -133.4 | -113.3 | 8 | -143.9 | -66.5 | 0 | 0 | 0 | 111.4 | ||||
| 631 | Q | 29.3 | Very low | 34.5 | Very low | 163 Ų | 163 | 137.2 Ų | 137.2 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | -161.7 | 135.3 | -167.3 | 179.1 | 179.8 | 6.5 | 0 | 0 | 112 | ||||
| 632 | E | 29.8 | Very low | 33.6 | Very low | 181 Ų | 181 | 140.9 Ų | 140.9 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | -167.7 | 166.2 | 122.5 | -118 | -174.9 | 151.8 | 0 | 0 | 114.3 | |||||
| 633 | S | 27.7 | Very low | 32.7 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | -51.9 | 160 | -171.3 | 55.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 634 | G | 30 | Very low | 31.8 | Very low | 69 Ų | 69 | 140.5 Ų | 140.5 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | cis | -176 | 179.7 | 8.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 635 | P | 41.8 | Very low | 31.6 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | -107 | 156.4 | -149.6 | 38.5 | -36.4 | 0 | 0 | 0 | 117.8 | ||||
| 636 | P | 35.4 | Very low | 31.3 | Very low | 125 Ų | 125 | 146.8 Ų | 146.8 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | trans | -87.3 | 150.4 | 154.8 | 35.4 | -31.5 | 0 | 0 | 0 | 111.9 | ||||
| 637 | L | 32.2 | Very low | 31.2 | Very low | 168 Ų | 168 | 143.4 Ų | 143.4 | 88% | 0.88 | 77% | 0.765 | S | S | * | * | trans | -102.1 | 127.7 | -178.6 | -93.6 | 165.6 | 0 | 0 | 0 | 113.3 | ||||
| 638 | L | 34 | Very low | 32.3 | Very low | 151 Ų | 151 | 142 Ų | 142 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | trans | -83.4 | 174.6 | 166.4 | -76.5 | 169.8 | 0 | 0 | 0 | 112.1 | ||||
| 639 | K | 33.3 | Very low | 32.2 | Very low | 178 Ų | 178 | 143.7 Ų | 143.7 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | trans | 99.1 | 139.6 | 161 | -56.1 | 156.9 | -173.2 | 171 | 0 | 113.8 | ||||
| 640 | K | 31.8 | Very low | 32.4 | Very low | 172 Ų | 172 | 142.8 Ų | 142.8 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | cis | -172.6 | 178.7 | -2.9 | -124 | -178.8 | 176.5 | -170.2 | 0 | 112.1 | ||||
| 641 | I | 32.2 | Very low | 32.6 | Very low | 141 Ų | 141 | 142 Ų | 142 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | trans | 88.4 | 120.9 | 141 | -82.7 | 158.3 | 0 | 0 | 0 | 120.3 | ||||
| 642 | K | 29.6 | Very low | 32.6 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | trans | 46.5 | 140.9 | 141.7 | -66.7 | -160.9 | 162.7 | -144.1 | 0 | 122.1 | ||||
| 643 | Q | 29.5 | Very low | 32.5 | Very low | 135 Ų | 135 | 134.8 Ų | 134.8 | 63% | 0.631 | 75% | 0.751 | S | S | * | * | cis | 92.4 | 95.5 | 33.2 | -174.6 | -151.3 | 6.2 | 0 | 0 | 114.3 | ||||
| 644 | E | 27.8 | Very low | 32.6 | Very low | 179 Ų | 179 | 136.6 Ų | 136.6 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | trans | -178.2 | 140.4 | 148.5 | -98.1 | 151.2 | -153.6 | 0 | 0 | 105.4 | ||||
| 645 | V | 32.8 | Very low | 32.3 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 72% | 0.715 | 75% | 0.753 | S | S | * | * | cis | 106.8 | 128.9 | 23.4 | 171.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 646 | E | 27 | Very low | 31.5 | Very low | 184 Ų | 184 | 143.8 Ų | 143.8 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | trans | 79.4 | 162.5 | 169.8 | -138.2 | 92.1 | -120.1 | 0 | 0 | 120.1 | ||||
| 647 | S | 31.9 | Very low | 31.1 | Very low | 99 Ų | 99 | 143 Ų | 143 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | trans | -152.4 | -166.3 | -179.4 | 68.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 648 | P | 54.5 | Low | 30.8 | Very low | 105 Ų | 105 | 140.4 Ų | 140.4 | 68% | 0.682 | 74% | 0.744 | S | S | * | * | cis | -133.4 | -154.2 | -13.4 | 35.9 | -14 | 0 | 0 | 0 | 112.8 | ||||
| 649 | T | 29.3 | Very low | 30.8 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | trans | 118.3 | 132.7 | 148.6 | 65.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 650 | E | 31.3 | Very low | 30.7 | Very low | 144 Ų | 144 | 139.8 Ų | 139.8 | 67% | 0.673 | 75% | 0.745 | S | S | * | * | trans | 59.5 | 153.6 | 145 | -70.9 | -169.4 | 120.1 | 0 | 0 | 121.4 | ||||
| 651 | K | 33.7 | Very low | 30.5 | Very low | 156 Ų | 156 | 143 Ų | 143 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | cis | -166.9 | 153.2 | 23 | -129 | 148.4 | -171.7 | 142.5 | 0 | 111.8 | ||||
| 652 | S | 28.4 | Very low | 30.5 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 88% | 0.881 | 75% | 0.747 | S | S | * | * | trans | 56.9 | 152.9 | 157.7 | 57.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 653 | G | 27.4 | Very low | 30.4 | Very low | 67 Ų | 67 | 139.2 Ų | 139.2 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | cis | 165.5 | 154 | -10.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 654 | N | 29.9 | Very low | 30.5 | Very low | 152 Ų | 152 | 138.7 Ų | 138.7 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | 73.6 | 127.9 | 157 | -74 | 2.2 | 0 | 0 | 0 | 124.6 | ||||
| 655 | F | 24.9 | Very low | 30.5 | Very low | 166 Ų | 166 | 135.1 Ų | 135.1 | 73% | 0.728 | 74% | 0.743 | S | S | * | * | trans | 96 | 123.7 | 132 | -91.3 | -124.3 | 0 | 0 | 0 | 124.2 | ||||
| 656 | F | 25.4 | Very low | 30.3 | Very low | 173 Ų | 173 | 137.7 Ų | 137.7 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | 58.9 | 98.2 | 142.3 | -91 | -107.3 | 0 | 0 | 0 | 123.4 | ||||
| 657 | C | 27.1 | Very low | 30.2 | Very low | 108 Ų | 108 | 134 Ų | 134 | 73% | 0.73 | 75% | 0.746 | S | S | * | * | 55.6 | 134.3 | 104.7 | -151.4 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 658 | S | 25.8 | Very low | 30 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | 96.1 | 152.2 | 143 | -126.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 659 | N | 33.9 | Very low | 28.9 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -97 | 170.2 | -177.2 | -68.3 | -51.2 | 0 | 0 | 0 | 112.1 | ||||
| 660 | H | 30.9 | Very low | 28.8 | Very low | 163 Ų | 163 | 139.5 Ų | 139.5 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | 77.8 | 115.9 | 149.1 | -151.8 | -75.7 | 0 | 0 | 0 | 117.8 | ||||
| 661 | W | 27.7 | Very low | 28.8 | Very low | 238 Ų | 238 | 141.8 Ų | 141.8 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | trans | -137.9 | 144.1 | 156.4 | -86.8 | 96.6 | 0 | 0 | 0 | 109.6 | ||||
| 662 | A | 32.2 | Very low | 28.6 | Very low | 75 Ų | 75 | 138.2 Ų | 138.2 | 62% | 0.62 | 76% | 0.759 | S | S | * | * | trans | -145.6 | 128.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 663 | E | 27.4 | Very low | 28.8 | Very low | 152 Ų | 152 | 140.7 Ų | 140.7 | 71% | 0.71 | 76% | 0.757 | S | S | * | * | trans | -161.7 | 134 | 162.8 | -110.4 | -160.3 | 106.3 | 0 | 0 | 113.7 | ||||
| 664 | N | 30.1 | Very low | 28.9 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 66% | 0.663 | 76% | 0.76 | S | S | * | * | 49.9 | 100.9 | 129.4 | -64.4 | -15.2 | 0 | 0 | 0 | 122.7 | |||||
| 665 | S | 28.3 | Very low | 28.9 | Very low | 104 Ų | 104 | 140 Ų | 140 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | 55.8 | 136.4 | 118.7 | 69.7 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 666 | L | 29.3 | Very low | 30.4 | Very low | 172 Ų | 172 | 137.3 Ų | 137.3 | 90% | 0.901 | 76% | 0.758 | S | S | * | * | -174 | 163.2 | 119.4 | -103.2 | 167.4 | 0 | 0 | 0 | 114.7 | |||||
| 667 | S | 25.3 | Very low | 31 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | 81.6 | 67.3 | 158.8 | -158.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 668 | T | 26.9 | Very low | 31.5 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | 17.8 | 151.2 | 124.9 | -28.3 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 669 | Q | 31.6 | Very low | 31.9 | Very low | 168 Ų | 168 | 136.7 Ų | 136.7 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | 93 | 139.4 | 164.6 | -53.7 | -166.1 | 21 | 0 | 0 | 116.1 | ||||
| 670 | L | 27 | Very low | 32 | Very low | 146 Ų | 146 | 133.1 Ų | 133.1 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | cis | -143.2 | -180 | 19 | -124.9 | 140.5 | 0 | 0 | 0 | 113.9 | ||||
| 671 | F | 31.1 | Very low | 33.2 | Very low | 191 Ų | 191 | 130.2 Ų | 130.2 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | trans | -73.7 | 177.9 | -170.2 | -78.9 | -98.1 | 0 | 0 | 0 | 116.1 | ||||
| 672 | S | 30.3 | Very low | 33.7 | Very low | 82 Ų | 82 | 125.7 Ų | 125.7 | 57% | 0.573 | 74% | 0.743 | S | S | * | * | cis | -165.8 | 157 | 22.6 | -145.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 673 | Q | 32.8 | Very low | 33.9 | Very low | 178 Ų | 178 | 128.4 Ų | 128.4 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | trans | 66.3 | 152.7 | 146 | -82.4 | 178.7 | 89 | 0 | 0 | 122.2 | ||||
| 674 | A | 29.4 | Very low | 34 | Very low | 91 Ų | 91 | 128.3 Ų | 128.3 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | cis | -158.3 | 165.2 | -6.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 675 | S | 29.6 | Very low | 33.9 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | trans | -162.8 | 151.9 | 167.7 | -174.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 676 | P | 56.4 | Low | 34 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | trans | -110.5 | 126.4 | 172.9 | 35.3 | -24.2 | 0 | 0 | 0 | 113.8 | ||||
| 677 | V | 37.4 | Very low | 34.1 | Very low | 145 Ų | 145 | 124.7 Ų | 124.7 | 88% | 0.879 | 74% | 0.744 | S | S | * | * | 70.9 | 130.4 | 95.1 | 170.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 678 | A | 38.4 | Very low | 34.3 | Very low | 79 Ų | 79 | 126.1 Ų | 126.1 | 65% | 0.653 | 75% | 0.748 | S | S | * | * | cis | -131.7 | -155.9 | 14.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 679 | D | 33.8 | Very low | 34.4 | Very low | 159 Ų | 159 | 127.1 Ų | 127.1 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | cis | -153.8 | -149.7 | 4.7 | -152.2 | -91.5 | 0 | 0 | 0 | 111.8 | ||||
| 680 | A | 35.4 | Very low | 34.5 | Very low | 78 Ų | 78 | 127.2 Ų | 127.2 | 65% | 0.645 | 75% | 0.75 | S | S | * | * | trans | -136.7 | -169.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 681 | P | 56.8 | Low | 34.9 | Very low | 101 Ų | 101 | 125.7 Ų | 125.7 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | cis | -137.6 | 163.9 | -8.5 | 41.6 | -24.5 | 0 | 0 | 0 | 117.6 | ||||
| 682 | N | 38.3 | Very low | 35.8 | Very low | 143 Ų | 143 | 122.2 Ų | 122.2 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | trans | 67.6 | 152.1 | 147.7 | -65 | -13 | 0 | 0 | 0 | 119.8 | ||||
| 683 | I | 35.3 | Very low | 35.7 | Very low | 133 Ų | 133 | 124 Ų | 124 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | cis | -164.1 | 151 | -3.6 | 27 | -175.3 | 0 | 0 | 0 | 112.9 | ||||
| 684 | L | 30.7 | Very low | 35.9 | Very low | 150 Ų | 150 | 119.7 Ų | 119.7 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | trans | 67.3 | 162 | 151.6 | -64.1 | 165.6 | 0 | 0 | 0 | 119.7 | ||||
| 685 | T | 28.5 | Very low | 36 | Very low | 111 Ų | 111 | 122.5 Ų | 122.5 | 68% | 0.681 | 74% | 0.738 | S | S | * | * | cis | -170.9 | 155.8 | -35.9 | -98 | 0 | 0 | 0 | 0 | 113 | ||||
| 686 | S | 30.2 | Very low | 36.4 | Very low | 106 Ų | 106 | 124.1 Ų | 124.1 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | trans | 62.3 | 138.8 | 155.9 | 67.7 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 687 | S | 30.8 | Very low | 35.4 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | trans | -51.4 | 162.7 | 149.1 | -25.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 688 | V | 30 | Very low | 35.4 | Very low | 135 Ų | 135 | 125.9 Ų | 125.9 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | 176.4 | 152.4 | 124.6 | 147.8 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 689 | L | 29.4 | Very low | 35.2 | Very low | 145 Ų | 145 | 127.5 Ų | 127.5 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | trans | -26 | 146.6 | 169.5 | -53.8 | 163.6 | 0 | 0 | 0 | 118.4 | ||||
| 690 | M | 32.3 | Very low | 35.3 | Very low | 170 Ų | 170 | 126 Ų | 126 | 84% | 0.837 | 73% | 0.725 | S | S | * | * | -171.6 | 154.6 | 105 | -100.3 | -56.4 | 175.7 | 0 | 0 | 114.7 | |||||
| 691 | T | 36.5 | Very low | 35.3 | Very low | 113 Ų | 113 | 128 Ų | 128 | 69% | 0.693 | 72% | 0.724 | S | S | * | * | trans | -97.4 | 160.8 | 163.9 | 46 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 692 | P | 48.6 | Very low | 34.2 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | -122.3 | 157.8 | 103.2 | 0.5 | 22 | 0 | 0 | 0 | 111.6 | |||||
| 693 | V | 29.4 | Very low | 33.8 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | 64.8 | 121.3 | 58.4 | 179.5 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 694 | S | 35.9 | Very low | 33.5 | Very low | 87 Ų | 87 | 131.5 Ų | 131.5 | 61% | 0.608 | 73% | 0.732 | S | S | * | * | cis | -128.6 | 158.8 | 24.1 | -77.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 695 | E | 31.6 | Very low | 33.5 | Very low | 151 Ų | 151 | 130 Ų | 130 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | 52.1 | 135 | 83.7 | -42.5 | 134.4 | -98.6 | 0 | 0 | 113.3 | |||||
| 696 | D | 37.8 | Very low | 33.8 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | cis | -109.5 | 156.7 | 9.1 | -53 | -68.7 | 0 | 0 | 0 | 111.7 | ||||
| 697 | E | 36.2 | Very low | 34.7 | Very low | 162 Ų | 162 | 131 Ų | 131 | 76% | 0.757 | 73% | 0.732 | S | S | * | * | 46.7 | 140 | 64.4 | -55.2 | -60.6 | 85 | 0 | 0 | 113.9 | |||||
| 698 | D | 37.9 | Very low | 34.8 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 68% | 0.684 | 73% | 0.734 | S | S | * | * | cis | -154.5 | 153.2 | 35.4 | -148.8 | -18 | 0 | 0 | 0 | 113.5 | ||||
| 699 | N | 33.4 | Very low | 34.8 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 60% | 0.604 | 73% | 0.732 | S | S | * | * | trans | 19.5 | 152.1 | 152.8 | -89.7 | -72.4 | 0 | 0 | 0 | 124.1 | ||||
| 700 | V | 36.3 | Very low | 35.2 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | cis | -137.4 | 134.5 | 19.8 | -176.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 701 | L | 35.5 | Very low | 35.6 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 62% | 0.618 | 74% | 0.735 | S | S | * | * | trans | -18.3 | 139 | 156.2 | -58.4 | 165.4 | 0 | 0 | 0 | 121.8 | ||||
| 702 | K | 32.5 | Very low | 35.5 | Very low | 189 Ų | 189 | 138.8 Ų | 138.8 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | 63.2 | 166.4 | 127.7 | -68.1 | 177.6 | 179.7 | 170.9 | 0 | 120.6 | |||||
| 703 | A | 31.8 | Very low | 34.7 | Very low | 75 Ų | 75 | 139.8 Ų | 139.8 | 62% | 0.62 | 74% | 0.744 | S | S | * | * | cis | -172.9 | 146.3 | -33.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 704 | F | 28.7 | Very low | 34.8 | Very low | 188 Ų | 188 | 136.9 Ų | 136.9 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | trans | 66.9 | 136.4 | 149.5 | -85.7 | -123.4 | 0 | 0 | 0 | 122.5 | ||||
| 705 | T | 29.8 | Very low | 35.3 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | trans | 57.7 | 120.7 | 148 | 52.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 706 | V | 34.9 | Very low | 35.3 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | cis | 65.6 | 132.9 | 47.7 | -176.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 707 | P | 49.3 | Very low | 35.3 | Very low | 108 Ų | 108 | 140.9 Ų | 140.9 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | cis | -135.5 | -176.2 | 0.9 | 33.7 | -11.7 | 0 | 0 | 0 | 117.5 | ||||
| 708 | K | 33 | Very low | 35.9 | Very low | 179 Ų | 179 | 138.1 Ų | 138.1 | 78% | 0.778 | 76% | 0.755 | S | S | * | * | 105.1 | 145.9 | 127.9 | -121.1 | -175.4 | 177.9 | 176.6 | 0 | 122.4 | |||||
| 709 | N | 30.8 | Very low | 35.3 | Very low | 149 Ų | 149 | 138.3 Ų | 138.3 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | 87.9 | 154.4 | 156.2 | -63.7 | -21.1 | 0 | 0 | 0 | 120.7 | ||||
| 710 | R | 36.4 | Very low | 35.4 | Very low | 232 Ų | 232 | 138.8 Ų | 138.8 | 88% | 0.875 | 78% | 0.777 | S | S | * | * | trans | -144.2 | 139.2 | -164.8 | -175.7 | -168.1 | -161.2 | -179.7 | 7.8 | 109.2 | ||||
| 711 | P | 40.8 | Very low | 35 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | -128.5 | 146.4 | 127.5 | 8.1 | 13.6 | 0 | 0 | 0 | 110 | |||||
| 712 | L | 34.7 | Very low | 34.8 | Very low | 153 Ų | 153 | 135.4 Ų | 135.4 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | cis | 86.3 | 139.9 | 49.7 | -161.8 | 74.3 | 0 | 0 | 0 | 113 | ||||
| 713 | V | 31.1 | Very low | 34.8 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | trans | 84.1 | 137.9 | 176.7 | -169.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 714 | G | 32 | Very low | 34.8 | Very low | 60 Ų | 60 | 143.5 Ų | 143.5 | 62% | 0.619 | 81% | 0.805 | S | S | * | * | trans | -146.4 | -172 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 715 | P | 46.8 | Very low | 36 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 90% | 0.903 | 80% | 0.797 | S | S | * | * | trans | -138.6 | -174.2 | 148.2 | 33.9 | -16.7 | 0 | 0 | 0 | 114.2 | ||||
| 716 | L | 31.8 | Very low | 36 | Very low | 160 Ų | 160 | 138 Ų | 138 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | -114.9 | 145.9 | -159.1 | -67.5 | 157.6 | 0 | 0 | 0 | 114.6 | ||||
| 717 | Q | 38.2 | Very low | 35.6 | Very low | 171 Ų | 171 | 137.3 Ų | 137.3 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | trans | 59.1 | 175.4 | 143.9 | -80.3 | -85.2 | -51 | 0 | 0 | 118.4 | ||||
| 718 | P | 47.8 | Very low | 34.9 | Very low | 103 Ų | 103 | 138.4 Ų | 138.4 | 67% | 0.669 | 81% | 0.807 | S | S | * | * | cis | -119.6 | 172.8 | -17.8 | 39.6 | -27.7 | 0 | 0 | 0 | 113.2 | ||||
| 719 | C | 26.8 | Very low | 34.8 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 89% | 0.892 | 81% | 0.807 | S | S | * | * | trans | -168.7 | 154 | 135.6 | -124.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 720 | S | 33.7 | Very low | 35.1 | Very low | 123 Ų | 123 | 136 Ų | 136 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -126.8 | 147.8 | 178.8 | 56.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 721 | G | 29.5 | Very low | 35.3 | Very low | 81 Ų | 81 | 131.3 Ų | 131.3 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | -171.8 | 121.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 722 | A | 31.5 | Very low | 35.2 | Very low | 94 Ų | 94 | 132 Ų | 132 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | trans | -117.2 | 141.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 723 | W | 31.6 | Very low | 35.3 | Very low | 257 Ų | 257 | 131.5 Ų | 131.5 | 97% | 0.973 | 80% | 0.8 | S | S | * | * | trans | -138.3 | 141 | 161.4 | -81.9 | 84.3 | 0 | 0 | 0 | 108.8 | ||||
| 724 | E | 31.6 | Very low | 35.7 | Very low | 177 Ų | 177 | 130.9 Ų | 130.9 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | trans | -117.6 | -164.1 | -179.1 | -142.5 | -148.4 | 164.5 | 0 | 0 | 109.2 | ||||
| 725 | P | 53.6 | Low | 36 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 66% | 0.656 | 79% | 0.793 | S | S | * | * | -127 | -163.1 | -116.7 | 43.4 | -25.8 | 0 | 0 | 0 | 115 | |||||
| 726 | A | 29.3 | Very low | 35.4 | Very low | 89 Ų | 89 | 134.3 Ų | 134.3 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | 105.1 | 164 | 147.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 727 | S | 28.3 | Very low | 35.6 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | trans | 73.6 | 143 | 173.3 | -71.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 728 | C | 32.7 | Very low | 35.5 | Very low | 131 Ų | 131 | 128 Ų | 128 | 89% | 0.885 | 78% | 0.779 | S | S | * | * | cis | -165.3 | 161.5 | -23.8 | -128.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 729 | G | 31.6 | Very low | 35 | Very low | 75 Ų | 75 | 126 Ų | 126 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | 159.2 | 107.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 730 | K | 36.7 | Very low | 35.7 | Very low | 203 Ų | 203 | 126 Ų | 126 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | trans | -134.6 | 147.9 | 172.9 | -75.2 | -177.7 | 174.8 | -178 | 0 | 109.7 | ||||
| 731 | T | 42 | Very low | 35.4 | Very low | 134 Ų | 134 | 124.8 Ų | 124.8 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -166.5 | 167 | 142.6 | 34.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 732 | E | 38.2 | Very low | 35.6 | Very low | 135 Ų | 135 | 132.8 Ų | 132.8 | 63% | 0.631 | 78% | 0.778 | S | S | * | * | cis | -167.3 | 138.6 | -46.1 | -176.3 | 159.8 | 134.6 | 0 | 0 | 109.3 | Q734 | E732-Q734 HydrophobicContact CG-CG 4.27Å; E732-Q734 PolarHBondContact OE1-NE2 3.47Å | ||
| 733 | D | 36.6 | Very low | 35.8 | Very low | 142 Ų | 142 | 137.4 Ų | 137.4 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | 168.9 | 109.2 | 139.8 | -92.1 | -26.7 | 0 | 0 | 0 | 107.7 | ||||
| 734 | Q | 39 | Very low | 35.9 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 59% | 0.589 | 77% | 0.774 | S | S | * | * | 70.8 | 131.8 | 71.5 | -68.4 | -157.7 | 51.1 | 0 | 0 | 113 | E732 | E732-Q734 HydrophobicContact CG-CG 4.27Å; E732-Q734 PolarHBondContact OE1-NE2 3.47Å | |||
| 735 | M | 37.9 | Very low | 36.1 | Very low | 150 Ų | 150 | 132.3 Ų | 132.3 | 74% | 0.739 | 77% | 0.767 | S | S | * | * | cis | -153 | -179.9 | -7 | -105.3 | -136.5 | -154.4 | 0 | 0 | 107.7 | ||||
| 736 | T | 35.4 | Very low | 35 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | cis | -117 | -165.4 | 13.1 | 52.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 737 | A | 35.3 | Very low | 35.1 | Very low | 84 Ų | 84 | 134.2 Ų | 134.2 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | cis | 72.4 | 146.8 | 17.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 738 | S | 36.2 | Very low | 35.4 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | cis | -131.5 | 160.6 | 5.1 | 70.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 739 | G | 36.9 | Very low | 35.3 | Very low | 62 Ų | 62 | 138.2 Ų | 138.2 | 64% | 0.639 | 77% | 0.774 | S | S | * | * | trans | -86.5 | -138.2 | 157.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 740 | P | 41.8 | Very low | 35.5 | Very low | 130 Ų | 130 | 138.7 Ų | 138.7 | 84% | 0.844 | 77% | 0.771 | S | S | * | * | cis | -140.5 | 170.1 | 12.9 | 42.8 | -25.8 | 0 | 0 | 0 | 117 | ||||
| 741 | A | 27.9 | Very low | 35.5 | Very low | 99 Ų | 99 | 139.9 Ų | 139.9 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | 175.6 | 116.1 | 129 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 742 | R | 34.1 | Very low | 35.1 | Very low | 249 Ų | 249 | 139 Ų | 139 | 94% | 0.94 | 76% | 0.764 | S | S | * | * | trans | -137 | 138.6 | 156.5 | -91 | -172.3 | 173.8 | -176.3 | -0.7 | 108.3 | ||||
| 743 | K | 35 | Very low | 34.9 | Very low | 191 Ų | 191 | 140 Ų | 140 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | trans | -147.4 | 124.3 | 171.6 | -80.4 | -165.4 | 177.2 | -178.3 | 0 | 110.5 | ||||
| 744 | Y | 34.8 | Very low | 34.7 | Very low | 214 Ų | 214 | 139.1 Ų | 139.1 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | trans | 41.7 | 140.9 | 140.9 | -61.1 | -83.5 | 0 | 0 | 0 | 121 | ||||
| 745 | V | 34.8 | Very low | 34.5 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 68% | 0.679 | 80% | 0.804 | S | S | * | * | cis | -165.7 | 172.1 | -14.7 | 91.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 746 | N | 31.2 | Very low | 34.3 | Very low | 143 Ų | 143 | 145 Ų | 145 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | trans | -0.6 | 141 | 165.6 | -49.5 | -18.1 | 0 | 0 | 0 | 120.9 | ||||
| 747 | A | 32 | Very low | 34.2 | Very low | 87 Ų | 87 | 146.2 Ų | 146.2 | 72% | 0.719 | 81% | 0.811 | S | S | * | * | 165.7 | 122.5 | 99.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 748 | F | 34.1 | Very low | 34.2 | Very low | 219 Ų | 219 | 149.7 Ų | 149.7 | 96% | 0.961 | 82% | 0.817 | S | S | * | * | trans | 59.1 | 166.6 | 151.5 | -79.7 | -83.1 | 0 | 0 | 0 | 122.5 | ||||
| 749 | S | 30.9 | Very low | 34.1 | Very low | 112 Ų | 112 | 151.8 Ų | 151.8 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | trans | -142 | 138.3 | -171.2 | 165.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 750 | A | 34.8 | Very low | 33.9 | Very low | 86 Ų | 86 | 157.4 Ų | 157.4 | 71% | 0.711 | 83% | 0.83 | S | S | * | * | trans | 177.5 | 154.3 | 136.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 751 | R | 36 | Very low | 33.4 | Very low | 227 Ų | 227 | 159.2 Ų | 159.2 | 86% | 0.857 | 83% | 0.829 | S | S | * | * | trans | 68.2 | 99.1 | 141.1 | -85 | 179.9 | 173 | 162.9 | -1.1 | 122.7 | ||||
| 752 | T | 34.4 | Very low | 33.8 | Very low | 117 Ų | 117 | 163.5 Ų | 163.5 | 72% | 0.718 | 83% | 0.829 | S | S | * | * | 69.1 | 137.8 | 118.8 | 42.1 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 753 | L | 34.7 | Very low | 33.7 | Very low | 154 Ų | 154 | 156.9 Ų | 156.9 | 81% | 0.806 | 82% | 0.821 | S | S | * | * | trans | 84.8 | 132.8 | 137.7 | -85 | 166 | 0 | 0 | 0 | 121 | ||||
| 754 | V | 30.7 | Very low | 33.6 | Very low | 125 Ų | 125 | 154.1 Ų | 154.1 | 76% | 0.758 | 82% | 0.82 | S | S | * | * | trans | 67.4 | 136.9 | 163.7 | -176.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 755 | M | 35.1 | Very low | 33.5 | Very low | 253 Ų | 253 | 148.6 Ų | 148.6 | 100% | 1.246 | 82% | 0.818 | S | S | * | * | cis | -128.4 | 0 | 14 | -149.3 | 154.3 | -162.9 | 0 | 0 | 112.2 |
Retrieved 755 of 755 residues in 738.3 ms
(Link to these results)