| 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 | 42.3 | Very low | 49.3 | Very low | 246 Ų | 246 | 144 Ų | 144 | 100% | 1.212 | 84% | 0.839 | S | S | * | * | 0 | 118.8 | 0 | -62.4 | -49.9 | -171.3 | 0 | 0 | 107.8 | |||||
| 2 | G | 44 | Very low | 48 | Very low | 63 Ų | 63 | 146.8 Ų | 146.8 | 65% | 0.649 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 164.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T4 | G2-T4 PolarHBondContact O-N 3.33Š|
| 3 | P | 57.3 | Low | 47.3 | Very low | 135 Ų | 135 | 144.2 Ų | 144.2 | 88% | 0.877 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 116.6 | 173.5 | 30.6 | -32.2 | 0 | 0 | 0 | 111.1 | ||
| 4 | T | 51.1 | Low | 47.7 | Very low | 137 Ų | 137 | 142.8 Ų | 142.8 | 84% | 0.84 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 134.7 | 177.9 | -56.5 | 0 | 0 | 0 | 0 | 111.7 | G2 | G2-T4 PolarHBondContact O-N 3.33Š|
| 5 | M | 52.8 | Low | 46.7 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 81% | 0.813 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 139.5 | 172.5 | -76.2 | -70.4 | -73.6 | 0 | 0 | 112.2 | ||
| 6 | P | 66.1 | Low | 45.9 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 70% | 0.695 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 152.2 | 178 | 33.9 | -35 | 0 | 0 | 0 | 113.1 | ||
| 7 | P | 56.8 | Low | 45.1 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 133 | 179.2 | 34.1 | -33.6 | 0 | 0 | 0 | 113.7 | ||
| 8 | S | 48.2 | Very low | 44.5 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 88% | 0.881 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 150.7 | 172.7 | -70.8 | 0 | 0 | 0 | 0 | 112.8 | ||
| 9 | K | 47.9 | Very low | 43.8 | Very low | 200 Ų | 200 | 132.1 Ų | 132.1 | 87% | 0.87 | 82% | 0.82 | S | S | * | * | trans | -114.7 | 126.5 | -167 | -64.8 | 175.6 | -178.8 | 173.7 | 0 | 114.1 | ||||
| 10 | K | 36.7 | Very low | 43.1 | Very low | 192 Ų | 192 | 130.4 Ų | 130.4 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | 22.9 | 120 | 132.3 | -174.4 | -179.4 | -177 | 176.8 | 0 | 119.4 | ||||
| 11 | A | 39.6 | Very low | 42.6 | Very low | 96 Ų | 96 | 129.1 Ų | 129.1 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | trans | -159 | 158.5 | 137.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 12 | Q | 33.2 | Very low | 42.2 | Very low | 177 Ų | 177 | 126.9 Ų | 126.9 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | cis | -173.8 | 145.4 | -42.1 | -162.2 | 160.9 | -1.7 | 0 | 0 | 104.4 | ||||
| 13 | S | 39 | Very low | 41.4 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -84.3 | -178.8 | -169.4 | -45.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 14 | P | 52.2 | Low | 40.5 | Very low | 125 Ų | 125 | 129 Ų | 129 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | -151.3 | 171.4 | 94.8 | 41 | -24.6 | 0 | 0 | 0 | 117.7 | |||||
| 15 | S | 33.2 | Very low | 39.9 | Very low | 108 Ų | 108 | 127.2 Ų | 127.2 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | 64.6 | 117.1 | 164.3 | -102.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 16 | S | 34.7 | Very low | 40.5 | Very low | 118 Ų | 118 | 124.7 Ų | 124.7 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | 99.7 | 131.7 | 64.8 | -69.9 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 17 | G | 31.4 | Very low | 39.9 | Very low | 71 Ų | 71 | 124.1 Ų | 124.1 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | cis | 175.7 | 171.7 | -4.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 18 | A | 34.2 | Very low | 38.8 | Very low | 101 Ų | 101 | 128.3 Ų | 128.3 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | 61.3 | 161 | 178.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 19 | S | 31.6 | Very low | 38.3 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | cis | 159.6 | 127.4 | -36 | -88.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 20 | A | 29.9 | Very low | 37.5 | Very low | 99 Ų | 99 | 131.2 Ų | 131.2 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 61.6 | 160.4 | 153 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 21 | S | 32.6 | Very low | 37.1 | Very low | 103 Ų | 103 | 125.5 Ų | 125.5 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | cis | -170.8 | 151 | -21.2 | 48.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 22 | Q | 33.6 | Very low | 36.8 | Very low | 199 Ų | 199 | 127.7 Ų | 127.7 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | trans | 34 | 147 | 148.4 | -67.9 | -179.8 | -49 | 0 | 0 | 124.7 | ||||
| 23 | G | 27.7 | Very low | 37.6 | Very low | 73 Ų | 73 | 125.2 Ų | 125.2 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | 109.2 | 132.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 24 | M | 37.5 | Very low | 37.2 | Very low | 171 Ų | 171 | 124.2 Ų | 124.2 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | cis | 107.3 | 72.6 | 6.7 | -60.9 | -158.9 | 72.2 | 0 | 0 | 120.6 | ||||
| 25 | S | 39.3 | Very low | 36.2 | Very low | 98 Ų | 98 | 125.3 Ų | 125.3 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | 67.4 | -172.4 | 129 | 76.8 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 26 | P | 64.4 | Low | 36 | Very low | 112 Ų | 112 | 124.9 Ų | 124.9 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | cis | -123.7 | -39.3 | -25.3 | 18.8 | -2.9 | 0 | 0 | 0 | 125.6 | ||||
| 27 | P | 53.3 | Low | 35.9 | Very low | 95 Ų | 95 | 123.9 Ų | 123.9 | 62% | 0.617 | 79% | 0.785 | S | S | * | * | -140.8 | 171.3 | -118.9 | 44.1 | -26 | 0 | 0 | 0 | 122.1 | |||||
| 28 | Y | 35.1 | Very low | 35.9 | Very low | 206 Ų | 206 | 125.8 Ų | 125.8 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | trans | 77.8 | 152.8 | 162.3 | -77.3 | -92.2 | 0 | 0 | 0 | 121.7 | ||||
| 29 | R | 36.2 | Very low | 35.8 | Very low | 200 Ų | 200 | 130.5 Ų | 130.5 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | cis | -178.7 | 154.6 | -44.8 | -173.8 | 171.6 | 177.5 | 169.1 | 0.3 | 110.1 | ||||
| 30 | Q | 31.5 | Very low | 35.9 | Very low | 187 Ų | 187 | 129.8 Ų | 129.8 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | 135.5 | 129.8 | 133.4 | -168.6 | 161.4 | 2.6 | 0 | 0 | 115.7 | ||||
| 31 | G | 29.8 | Very low | 36.4 | Very low | 71 Ų | 71 | 134.3 Ų | 134.3 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | trans | 145.1 | 74.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 32 | D | 32.3 | Very low | 36.7 | Very low | 142 Ų | 142 | 134.4 Ų | 134.4 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | -86 | 179.4 | 165.5 | -45.4 | -88.1 | 0 | 0 | 0 | 110.4 | ||||
| 33 | P | 50.5 | Low | 37.2 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | cis | -134.5 | 159.8 | -7.5 | 40 | -24.1 | 0 | 0 | 0 | 115.5 | ||||
| 34 | A | 30.1 | Very low | 37.6 | Very low | 92 Ų | 92 | 131.7 Ų | 131.7 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -159 | 119.2 | 157.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 35 | T | 32.2 | Very low | 37.6 | Very low | 148 Ų | 148 | 131.5 Ų | 131.5 | 91% | 0.908 | 79% | 0.791 | S | S | * | * | trans | 48.8 | 118.7 | 160.5 | 11.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 36 | A | 28.2 | Very low | 37.6 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -139.3 | -179.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 37 | A | 31.4 | Very low | 36.3 | Very low | 98 Ų | 98 | 131.9 Ų | 131.9 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | 79.5 | 135.9 | -176 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 38 | S | 31.6 | Very low | 35.4 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | cis | -167 | 119.2 | -9.3 | 47.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 39 | E | 32.5 | Very low | 35.5 | Very low | 200 Ų | 200 | 128.3 Ų | 128.3 | 94% | 0.935 | 78% | 0.782 | S | S | * | * | trans | -153.5 | 108.7 | 157.3 | -75.4 | -161.5 | 113.3 | 0 | 0 | 109.9 | ||||
| 40 | A | 33.8 | Very low | 35.7 | Very low | 98 Ų | 98 | 122.6 Ų | 122.6 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | 173.4 | 68.7 | 158.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 41 | E | 40.5 | Very low | 36.2 | Very low | 193 Ų | 193 | 117.2 Ų | 117.2 | 90% | 0.902 | 76% | 0.76 | S | S | * | * | trans | -136.1 | 68.1 | 174.4 | -85.1 | -62.1 | 161.7 | 0 | 0 | 111.8 | ||||
| 42 | A | 39.7 | Very low | 36.5 | Very low | 105 Ų | 105 | 118.3 Ų | 118.3 | 87% | 0.868 | 76% | 0.757 | S | S | * | * | trans | -163.4 | 59.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 43 | A | 44.1 | Very low | 36.8 | Very low | 82 Ų | 82 | 119.8 Ų | 119.8 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | -137.5 | -44.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | L45 | A43-L45 PolarHBondContact O-N 2.64Š| ||
| 44 | D | 35.3 | Very low | 36.4 | Very low | 134 Ų | 134 | 117.5 Ų | 117.5 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -75.8 | -18.4 | -158.9 | -156.3 | 38.8 | 0 | 0 | 0 | 115.3 | S46 | D44-S46 VanDerWaalsContact C-N 3.35Å; D44-S46 PolarHBondContact O-N 2.77Å |
| 45 | L | 37 | Very low | 36.9 | Very low | 166 Ų | 166 | 122.1 Ų | 122.1 | 87% | 0.869 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -79.8 | -9.3 | -177.2 | -60.3 | -178.8 | 0 | 0 | 0 | 114.9 | A43 | A43-L45 PolarHBondContact O-N 2.64Š|
| 46 | S | 39.2 | Very low | 37.6 | Very low | 90 Ų | 90 | 118.6 Ų | 118.6 | 63% | 0.629 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -87.1 | -23.8 | -174.4 | -166.9 | 0 | 0 | 0 | 0 | 114.2 | D44 | D44-S46 VanDerWaalsContact C-N 3.35Å; D44-S46 PolarHBondContact O-N 2.77Å |
| 47 | L | 38.8 | Very low | 38.5 | Very low | 128 Ų | 128 | 117.9 Ų | 117.9 | 67% | 0.67 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -81.6 | -35.1 | -173.7 | -73.5 | 169.4 | 0 | 0 | 0 | 113.4 | L49 S50 A51 | L47-L49 VanDerWaalsContact C-N 3.28Å; L47-L49 PolarHBondContact O-N 2.87Å; L47-S50 PolarHBondContact O-N 2.94Å; L47-A51 PolarHBondContact O-N 2.82Å |
| 48 | S | 33.1 | Very low | 39.3 | Very low | 92 Ų | 92 | 117.4 Ų | 117.4 | 64% | 0.643 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -63.8 | -29.5 | -176.8 | -54.4 | 0 | 0 | 0 | 0 | 113.8 | ||
| 49 | L | 37.7 | Very low | 40 | Very low | 135 Ų | 135 | 119.6 Ų | 119.6 | 71% | 0.707 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -80.3 | -31.4 | 179.3 | -163 | 66.4 | 0 | 0 | 0 | 112.7 | L47 A51 | L47-L49 VanDerWaalsContact C-N 3.28Å; L47-L49 PolarHBondContact O-N 2.87Å; L49-A51 VanDerWaalsContact C-N 3.34Å |
| 50 | S | 41.2 | Very low | 40.7 | Very low | 79 Ų | 79 | 114.1 Ų | 114.1 | 55% | 0.552 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -68.6 | -33.7 | 175.8 | -66.4 | 0 | 0 | 0 | 0 | 112.5 | L47 S52 F53 | L47-S50 PolarHBondContact O-N 2.94Å; S50-S52 VanDerWaalsContact C-N 3.26Å; S50-S52 PolarHBondContact O-N 3.36Å; S50-F53 PolarHBondContact O-N 3.35Å |
| 51 | A | 40.8 | Very low | 41.3 | Very low | 74 Ų | 74 | 114.6 Ų | 114.6 | 61% | 0.612 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -63.1 | -28.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | L47 L49 | L47-A51 PolarHBondContact O-N 2.82Å; L49-A51 VanDerWaalsContact C-N 3.34Å |
| 52 | S | 35.9 | Very low | 41.8 | Very low | 95 Ų | 95 | 111.2 Ų | 111.2 | 66% | 0.664 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -79.5 | -26.4 | -178.5 | -63.7 | 0 | 0 | 0 | 0 | 114.4 | S50 | S50-S52 VanDerWaalsContact C-N 3.26Å; S50-S52 PolarHBondContact O-N 3.36Å |
| 53 | F | 38.8 | Very low | 42 | Very low | 172 Ų | 172 | 109 Ų | 109 | 75% | 0.754 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -85 | -37.6 | -174.8 | -103.5 | -84.5 | 0 | 0 | 0 | 114 | S50 K55 | S50-F53 PolarHBondContact O-N 3.35Å; F53-K55 PolarHBondContact O-N 3.47Å; F53-K55 VanDerWaalsContact O-N 3.16Å |
| 54 | S | 42.6 | Very low | 42.7 | Very low | 77 Ų | 77 | 111.8 Ų | 111.8 | 54% | 0.538 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.7 | -0.9 | -173.3 | -73.1 | 0 | 0 | 0 | 0 | 115.7 | E57 | S54-E57 PolarHBondContact OG-OE1 3.42Å; S54-E57 VanDerWaalsContact OG-OE1 3.13Å |
| 55 | K | 39.7 | Very low | 43.7 | Very low | 190 Ų | 190 | 108.5 Ų | 108.5 | 83% | 0.826 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -6.9 | 178.2 | -159.4 | 160.7 | -175.8 | 174.8 | 0 | 114.4 | F53 | F53-K55 PolarHBondContact O-N 3.47Å; F53-K55 VanDerWaalsContact O-N 3.16Å |
| 56 | A | 47.8 | Very low | 44.9 | Very low | 73 Ų | 73 | 109.2 Ų | 109.2 | 60% | 0.603 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -103.7 | -14.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 57 | E | 47.6 | Very low | 45.7 | Very low | 84 Ų | 84 | 110 Ų | 110 | 39% | 0.393 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.8 | -15.2 | -168.2 | 66.6 | 178.6 | 127.8 | 0 | 0 | 116.1 | S54 K151 | S54-E57 PolarHBondContact OG-OE1 3.42Å; S54-E57 VanDerWaalsContact OG-OE1 3.13Å; E57-K151 IonicContact OE1-NZ 3.85Å; E57-K151 PolarHBondContact OE1-NZ 3.2Å; E57-K151 VanDerWaalsContact OE1-NZ 3.16Å; E57-K151 IonicContact OE2-NZ 3.99Å; E57-K151 PolarHBondContact OE2-NZ 3.49Å |
| 58 | D | 48.3 | Very low | 46.3 | Very low | 89 Ų | 89 | 110.8 Ų | 110.8 | 48% | 0.476 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.5 | -24.6 | -178.9 | -116.7 | -71.2 | 0 | 0 | 0 | 113.1 | E60 L61 K198 | D58-E60 VanDerWaalsContact C-N 3.34Å; D58-E60 PolarHBondContact O-N 3.36Å; D58-L61 WeakPolarHBondContact O-CB 3.38Å; D58-L61 PolarHBondContact O-N 2.84Å; D58-L61 VanDerWaalsContact O-N 3.13Å; D58-K198 IonicContact OD2-NZ 2.64Å; D58-K198 PolarHBondContact OD2-NZ 3Å |
| 59 | E | 44.6 | Very low | 47.4 | Very low | 155 Ų | 155 | 109.9 Ų | 109.9 | 72% | 0.724 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -61.7 | -37.7 | 176.5 | -72.5 | -78.9 | 119.3 | 0 | 0 | 112.5 | L61 T62 S63 | E59-L61 PolarHBondContact O-N 3.28Å; E59-T62 PolarHBondContact O-N 3.12Å; E59-T62 VanDerWaalsContact O-N 3.12Å; E59-S63 PolarHBondContact O-N 2.91Å; E59-S63 VanDerWaalsContact O-N 3.14Å |
| 60 | E | 48.3 | Very low | 48.2 | Very low | 86 Ų | 86 | 105.7 Ų | 105.7 | 40% | 0.402 | 57% | 0.573 | S | S | . | * | G | 310 helix | trans | -59 | -18.9 | 176.2 | -70.8 | -158.5 | 132.9 | 0 | 0 | 113.4 | D58 T62 T169 K172 | D58-E60 VanDerWaalsContact C-N 3.34Å; D58-E60 PolarHBondContact O-N 3.36Å; E60-T62 VanDerWaalsContact C-N 3.31Å; E60-T169 WeakPolarHBondContact OE1-CG2 3.07Å; E60-K172 IonicContact OE2-NZ 2.68Å; E60-K172 PolarHBondContact OE2-NZ 3.28Å |
| 61 | L | 46.3 | Very low | 49 | Very low | 107 Ų | 107 | 105.7 Ų | 105.7 | 56% | 0.56 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -80.1 | -13.4 | -179 | -58.8 | -177.2 | 0 | 0 | 0 | 113.3 | D58 E59 | D58-L61 WeakPolarHBondContact O-CB 3.38Å; D58-L61 PolarHBondContact O-N 2.84Å; D58-L61 VanDerWaalsContact O-N 3.13Å; E59-L61 PolarHBondContact O-N 3.28Å |
| 62 | T | 50.7 | Low | 49.8 | Very low | 122 Ų | 122 | 106.9 Ų | 106.9 | 75% | 0.748 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.1 | -22.1 | -179.7 | -40 | 0 | 0 | 0 | 0 | 112.8 | E59 E60 L64 | E59-T62 PolarHBondContact O-N 3.12Å; E59-T62 VanDerWaalsContact O-N 3.12Å; E60-T62 VanDerWaalsContact C-N 3.31Å; T62-L64 PolarHBondContact O-N 3.2Å |
| 63 | S | 43.6 | Very low | 50.8 | Low | 59 Ų | 59 | 107.1 Ų | 107.1 | 41% | 0.413 | 56% | 0.559 | S | S | . | * | trans | -66.4 | 126.1 | 180 | 68.2 | 0 | 0 | 0 | 0 | 113.1 | E59 S65 | E59-S63 PolarHBondContact O-N 2.91Å; E59-S63 VanDerWaalsContact O-N 3.14Å; S63-S65 PolarHBondContact O-N 2.87Å | ||
| 64 | L | 58.6 | Low | 51.7 | Low | 140 Ų | 140 | 105 Ų | 105 | 73% | 0.733 | 56% | 0.555 | S | S | * | * | trans | -79 | 39.3 | 174.1 | -63.5 | 175.8 | 0 | 0 | 0 | 112.9 | T62 W66 L67 | T62-L64 PolarHBondContact O-N 3.2Å; L64-W66 VanDerWaalsContact C-N 3.27Å; L64-W66 PolarHBondContact O-N 3.2Å; L64-L67 VanDerWaalsContact O-CB 3.26Å; L64-L67 WeakPolarHBondContact O-CB 3.32Å; L64-L67 PolarHBondContact O-N 2.75Å | ||
| 65 | S | 57.1 | Low | 52.3 | Low | 65 Ų | 65 | 105.7 Ų | 105.7 | 46% | 0.455 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -56.3 | -36.8 | -174 | 49.4 | 0 | 0 | 0 | 0 | 113.7 | S63 L67 H68 E69 | S63-S65 PolarHBondContact O-N 2.87Å; S65-L67 PolarHBondContact O-N 3.48Å; S65-L67 VanDerWaalsContact O-N 3.14Å; S65-H68 WeakPolarHBondContact O-CB 3.33Å; S65-H68 PolarHBondContact O-N 2.84Å; S65-E69 PolarHBondContact O-N 2.64Å |
| 66 | W | 61.6 | Low | 52.6 | Low | 181 Ų | 181 | 100.1 Ų | 100.1 | 69% | 0.686 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.1 | -22 | 177.8 | -157.6 | 63.6 | 0 | 0 | 0 | 114.1 | L64 E69 S70 | L64-W66 VanDerWaalsContact C-N 3.27Å; L64-W66 PolarHBondContact O-N 3.2Å; W66-E69 VanDerWaalsContact CD1-OE2 3.29Å; W66-S70 PolarHBondContact O-N 3.07Å; W66-S70 VanDerWaalsContact O-N 3.17Å |
| 67 | L | 55.9 | Low | 52.6 | Low | 108 Ų | 108 | 104.7 Ų | 104.7 | 57% | 0.565 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -72.7 | -35.5 | 176.2 | -135.1 | 167.2 | 0 | 0 | 0 | 110.8 | L64 S65 S70 T71 | L64-L67 VanDerWaalsContact O-CB 3.26Å; L64-L67 WeakPolarHBondContact O-CB 3.32Å; L64-L67 PolarHBondContact O-N 2.75Å; S65-L67 PolarHBondContact O-N 3.48Å; S65-L67 VanDerWaalsContact O-N 3.14Å; L67-S70 PolarHBondContact O-N 3.28Å; L67-S70 PolarHBondContact O-OG 2.93Å; L67-T71 PolarHBondContact O-OG1 3.32Å; L67-T71 VanDerWaalsContact O-OG1 3.09Å |
| 68 | H | 53.1 | Low | 52.7 | Low | 143 Ų | 143 | 104.7 Ų | 104.7 | 66% | 0.662 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66 | -47.9 | 172.7 | -132.2 | -100.7 | 0 | 0 | 0 | 110.8 | S65 S70 T71 D72 | S65-H68 WeakPolarHBondContact O-CB 3.33Å; S65-H68 PolarHBondContact O-N 2.84Å; H68-S70 PolarHBondContact O-N 3.24Å; H68-T71 WeakPolarHBondContact O-CA 3.39Å; H68-T71 VanDerWaalsContact O-CB 3.28Å; H68-T71 WeakPolarHBondContact O-CB 3.37Å; H68-T71 PolarHBondContact O-N 3.22Å; H68-D72 PolarHBondContact O-N 3.33Å |
| 69 | E | 54.4 | Low | 52.7 | Low | 74 Ų | 74 | 107.9 Ų | 107.9 | 35% | 0.346 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -54.4 | -37.5 | 176.9 | -162.4 | -177.1 | 152.7 | 0 | 0 | 112.2 | S65 W66 T71 L73 | S65-E69 PolarHBondContact O-N 2.64Å; W66-E69 VanDerWaalsContact CD1-OE2 3.29Å; E69-T71 VanDerWaalsContact C-N 3.27Å; E69-T71 PolarHBondContact O-N 3.37Å; E69-L73 WeakPolarHBondContact O-CG 3.46Å; E69-L73 PolarHBondContact O-N 3.1Å |
| 70 | S | 55.1 | Low | 52.8 | Low | 46 Ų | 46 | 105.3 Ų | 105.3 | 32% | 0.322 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.7 | -24.8 | 174.9 | 79.9 | 0 | 0 | 0 | 0 | 114.4 | W66 L67 H68 L74 | W66-S70 PolarHBondContact O-N 3.07Å; W66-S70 VanDerWaalsContact O-N 3.17Å; L67-S70 PolarHBondContact O-N 3.28Å; L67-S70 PolarHBondContact O-OG 2.93Å; H68-S70 PolarHBondContact O-N 3.24Å; S70-L74 PolarHBondContact O-N 3.17Å |
| 71 | T | 57.5 | Low | 52.6 | Low | 79 Ų | 79 | 103.6 Ų | 103.6 | 49% | 0.485 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -81.8 | -40.3 | -179.4 | -49.7 | 0 | 0 | 0 | 0 | 110.9 | L67 H68 E69 L73 L74 N75 | L67-T71 PolarHBondContact O-OG1 3.32Å; L67-T71 VanDerWaalsContact O-OG1 3.09Å; H68-T71 WeakPolarHBondContact O-CA 3.39Å; H68-T71 VanDerWaalsContact O-CB 3.28Å; H68-T71 WeakPolarHBondContact O-CB 3.37Å; H68-T71 PolarHBondContact O-N 3.22Å; E69-T71 VanDerWaalsContact C-N 3.27Å; E69-T71 PolarHBondContact O-N 3.37Å; T71-L73 VanDerWaalsContact C-N 3.34Å; T71-L73 PolarHBondContact O-N 3.4Å; T71-L74 WeakPolarHBondContact O-CB 3.46Å; T71-L74 PolarHBondContact O-N 3.46Å; T71-N75 PolarHBondContact O-N 3Å; T71-N75 VanDerWaalsContact O-N 3.1Å |
| 72 | D | 58.8 | Low | 52.4 | Low | 99 Ų | 99 | 107.1 Ų | 107.1 | 53% | 0.529 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.4 | -36.9 | 174.5 | -68.6 | -50.7 | 0 | 0 | 0 | 112 | H68 L74 N75 S76 | H68-D72 PolarHBondContact O-N 3.33Å; D72-L74 PolarHBondContact O-N 3.27Å; D72-N75 PolarHBondContact O-N 3.42Å; D72-S76 PolarHBondContact O-N 3.16Å |
| 73 | L | 55.9 | Low | 51.9 | Low | 101 Ų | 101 | 111.9 Ų | 111.9 | 53% | 0.529 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.3 | -42.3 | 172.4 | -73.2 | 172.4 | 0 | 0 | 0 | 112.5 | E69 T71 N75 S76 F77 | E69-L73 WeakPolarHBondContact O-CG 3.46Å; E69-L73 PolarHBondContact O-N 3.1Å; T71-L73 VanDerWaalsContact C-N 3.34Å; T71-L73 PolarHBondContact O-N 3.4Å; L73-N75 VanDerWaalsContact C-N 3.3Å; L73-N75 PolarHBondContact O-N 3.02Å; L73-S76 WeakPolarHBondContact O-CB 3.35Å; L73-S76 PolarHBondContact O-N 3.48Å; L73-F77 WeakPolarHBondContact O-CD2 3.21Å; L73-F77 PolarHBondContact O-N 3.33Å |
| 74 | L | 57.5 | Low | 51.7 | Low | 126 Ų | 126 | 115 Ų | 115 | 66% | 0.66 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -61.1 | -39.2 | 173.8 | -83.6 | 162.1 | 0 | 0 | 0 | 111.8 | S70 T71 D72 F77 | S70-L74 PolarHBondContact O-N 3.17Å; T71-L74 WeakPolarHBondContact O-CB 3.46Å; T71-L74 PolarHBondContact O-N 3.46Å; D72-L74 PolarHBondContact O-N 3.27Å; L74-F77 PolarHBondContact O-N 3.39Å |
| 75 | N | 57 | Low | 50.7 | Low | 92 Ų | 92 | 114.5 Ų | 114.5 | 49% | 0.492 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -70.7 | -32 | 177.4 | -158.3 | 27.1 | 0 | 0 | 0 | 112.7 | T71 D72 L73 F77 S78 | T71-N75 PolarHBondContact O-N 3Å; T71-N75 VanDerWaalsContact O-N 3.1Å; D72-N75 PolarHBondContact O-N 3.42Å; L73-N75 VanDerWaalsContact C-N 3.3Å; L73-N75 PolarHBondContact O-N 3.02Å; N75-F77 VanDerWaalsContact C-N 3.3Å; N75-F77 PolarHBondContact O-N 2.91Å; N75-S78 VanDerWaalsContact O-CB 3.24Å; N75-S78 WeakPolarHBondContact O-CB 3.13Å; N75-S78 PolarHBondContact O-N 3.35Å; N75-S78 VanDerWaalsContact O-N 3.13Å; N75-S78 PolarHBondContact O-OG 3.21Å |
| 76 | S | 45.5 | Very low | 49.6 | Very low | 74 Ų | 74 | 117.2 Ų | 117.2 | 52% | 0.517 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -61.2 | -35.4 | 174.9 | -172.5 | 0 | 0 | 0 | 0 | 112.9 | D72 L73 S78 | D72-S76 PolarHBondContact O-N 3.16Å; L73-S76 WeakPolarHBondContact O-CB 3.35Å; L73-S76 PolarHBondContact O-N 3.48Å; S76-S78 VanDerWaalsContact C-N 3.29Å; S76-S78 PolarHBondContact O-N 3.14Å |
| 77 | F | 47 | Very low | 48.9 | Very low | 168 Ų | 168 | 114 Ų | 114 | 74% | 0.737 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.6 | -27.6 | 175.9 | -75.5 | -71.7 | 0 | 0 | 0 | 112.9 | L73 L74 N75 H79 | L73-F77 WeakPolarHBondContact O-CD2 3.21Å; L73-F77 PolarHBondContact O-N 3.33Å; L74-F77 PolarHBondContact O-N 3.39Å; N75-F77 VanDerWaalsContact C-N 3.3Å; N75-F77 PolarHBondContact O-N 2.91Å; F77-H79 VanDerWaalsContact C-N 3.27Å; F77-H79 PolarHBondContact O-N 3.21Å |
| 78 | S | 50.8 | Low | 47.8 | Very low | 85 Ų | 85 | 115.5 Ų | 115.5 | 59% | 0.594 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -61.7 | -31.7 | 179.2 | -51.8 | 0 | 0 | 0 | 0 | 113.7 | N75 S76 | N75-S78 VanDerWaalsContact O-CB 3.24Å; N75-S78 WeakPolarHBondContact O-CB 3.13Å; N75-S78 PolarHBondContact O-N 3.35Å; N75-S78 VanDerWaalsContact O-N 3.13Å; N75-S78 PolarHBondContact O-OG 3.21Å; S76-S78 VanDerWaalsContact C-N 3.29Å; S76-S78 PolarHBondContact O-N 3.14Å |
| 79 | H | 48.3 | Very low | 47 | Very low | 155 Ų | 155 | 116.2 Ų | 116.2 | 72% | 0.718 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -5.8 | -169.7 | -71.9 | -76.8 | 0 | 0 | 0 | 114.8 | F77 | F77-H79 VanDerWaalsContact C-N 3.27Å; F77-H79 PolarHBondContact O-N 3.21Å |
| 80 | S | 45.1 | Very low | 46 | Very low | 101 Ų | 101 | 119.3 Ų | 119.3 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -118.5 | 80.7 | -174.4 | -68.3 | 0 | 0 | 0 | 0 | 114 | ||
| 81 | G | 45.4 | Very low | 46 | Very low | 50 Ų | 50 | 122.6 Ų | 122.6 | 52% | 0.515 | 69% | 0.689 | S | S | . | * | trans | 110.6 | 21.4 | 139.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | R83 | G81-R83 PolarHBondContact O-N 2.89Š| ||
| 82 | L | 40.4 | Very low | 44.8 | Very low | 182 Ų | 182 | 125.9 Ų | 125.9 | 95% | 0.953 | 70% | 0.704 | S | S | * | * | trans | -73.2 | 78.3 | 166.4 | -68.3 | -173.9 | 0 | 0 | 0 | 111.9 | S84 | L82-S84 PolarHBondContact O-N 3.18Å; L82-S84 VanDerWaalsContact O-N 3.1Å | ||
| 83 | R | 41.5 | Very low | 43.7 | Very low | 222 Ų | 222 | 125 Ų | 125 | 84% | 0.838 | 71% | 0.705 | S | S | * | * | trans | -77.2 | 86 | 171.5 | -57.8 | -67.1 | 163 | 92.7 | -2.2 | 109.1 | G81 | G81-R83 PolarHBondContact O-N 2.89Š| ||
| 84 | S | 38.3 | Very low | 42.7 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 86% | 0.86 | 72% | 0.724 | S | S | * | * | trans | -61.6 | 140.7 | 175.8 | -166.2 | 0 | 0 | 0 | 0 | 111.1 | L82 | L82-S84 PolarHBondContact O-N 3.18Å; L82-S84 VanDerWaalsContact O-N 3.1Å | ||
| 85 | V | 39.5 | Very low | 41.9 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 79% | 0.788 | 73% | 0.726 | S | S | * | * | trans | -108.1 | 125.4 | -174.2 | -73.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 86 | S | 33.6 | Very low | 41.3 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 85% | 0.853 | 74% | 0.738 | S | S | * | * | trans | -152 | 151 | 159.6 | -84.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 87 | P | 45.7 | Very low | 40.7 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | trans | -111.4 | 174.3 | -162.7 | 41.7 | -35.4 | 0 | 0 | 0 | 115.9 | ||||
| 88 | L | 33.8 | Very low | 40.2 | Very low | 139 Ų | 139 | 136 Ų | 136 | 73% | 0.728 | 75% | 0.754 | S | S | * | * | trans | 94.8 | 118.7 | 161.6 | -61.4 | 158 | 0 | 0 | 0 | 119 | ||||
| 89 | Q | 35.8 | Very low | 39.8 | Very low | 158 Ų | 158 | 138.1 Ų | 138.1 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | trans | 62.7 | 143.6 | 139.4 | -63.5 | 165.9 | -39.1 | 0 | 0 | 119 | ||||
| 90 | D | 34.5 | Very low | 39.2 | Very low | 140 Ų | 140 | 136.3 Ų | 136.3 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | cis | -154.1 | 174.6 | -9.5 | -113 | -36 | 0 | 0 | 0 | 108.3 | ||||
| 91 | P | 54.8 | Low | 38.7 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | trans | -95.9 | 151.2 | -164.6 | 36.2 | -36.8 | 0 | 0 | 0 | 116.6 | ||||
| 92 | D | 32.3 | Very low | 38.3 | Very low | 148 Ų | 148 | 140 Ų | 140 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -164.7 | 153.4 | 131.8 | -159.3 | 11.3 | 0 | 0 | 0 | 114.2 | ||||
| 93 | S | 35.8 | Very low | 38 | Very low | 79 Ų | 79 | 136.9 Ų | 136.9 | 55% | 0.552 | 78% | 0.782 | S | S | * | * | trans | 40.2 | 103.3 | 143.8 | -77.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 94 | Q | 35.2 | Very low | 38.2 | Very low | 199 Ų | 199 | 131.8 Ų | 131.8 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | 169.7 | 160.2 | 96.7 | -97.7 | 165.3 | 65.9 | 0 | 0 | 114.3 | |||||
| 95 | H | 39.9 | Very low | 38.2 | Very low | 150 Ų | 150 | 130.8 Ų | 130.8 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | trans | -134.2 | 143 | -174.1 | 162.2 | -109.4 | 0 | 0 | 0 | 110.6 | R97 | H95-R97 PolarHBondContact CD2-N 2.9Å; H95-R97 VanDerWaalsContact CD2-N 3.34Å; H95-R97 PolarHBondContact CE1-N 3.37Å; H95-R97 PolarHBondContact NE2-N 2.93Å | ||
| 96 | P | 43.7 | Very low | 38.7 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | -143.7 | 113 | 131 | 34 | -17.4 | 0 | 0 | 0 | 116.4 | ||||
| 97 | R | 33.3 | Very low | 39.3 | Very low | 218 Ų | 218 | 132 Ų | 132 | 82% | 0.823 | 77% | 0.77 | S | S | * | * | trans | 65 | 107.3 | 134.6 | -60.5 | -177.3 | 179 | -176.2 | -0.6 | 119.9 | H95 | H95-R97 PolarHBondContact CD2-N 2.9Å; H95-R97 VanDerWaalsContact CD2-N 3.34Å; H95-R97 PolarHBondContact CE1-N 3.37Å; H95-R97 PolarHBondContact NE2-N 2.93Å | ||
| 98 | S | 36.1 | Very low | 39 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | -72.4 | 153.2 | 148.5 | -40.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 99 | P | 42.9 | Very low | 39.8 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | trans | -81.5 | 156.4 | 149.1 | 34.6 | -31.1 | 0 | 0 | 0 | 110.6 | ||||
| 100 | S | 35.3 | Very low | 40.5 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | -134.8 | 122.9 | -168.8 | 58.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 101 | S | 36 | Very low | 40.9 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -179.5 | 149 | 157.9 | 48.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 102 | S | 36.8 | Very low | 40.5 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | cis | -165.6 | 137 | -24 | 42.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 103 | S | 34.5 | Very low | 41.4 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 137.7 | 177.7 | -170.2 | 0 | 0 | 0 | 0 | 111.3 | ||
| 104 | P | 43.9 | Very low | 42.1 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 150 | 165.2 | 31.9 | -33.6 | 0 | 0 | 0 | 110.9 | ||
| 105 | S | 38.3 | Very low | 42.5 | Very low | 103 Ų | 103 | 130.8 Ų | 130.8 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 152.6 | 169.4 | 49.1 | 0 | 0 | 0 | 0 | 110.8 | D107 | S105-D107 PolarHBondContact O-N 2.94Š|
| 106 | P | 50.9 | Low | 42.9 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -97.8 | 70.8 | -172.1 | 38.9 | -34.9 | 0 | 0 | 0 | 113.2 | ||
| 107 | D | 45.6 | Very low | 43.2 | Very low | 153 Ų | 153 | 125.9 Ų | 125.9 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -147.2 | 85.4 | 172.4 | -84.7 | -58.4 | 0 | 0 | 0 | 111.2 | S105 | S105-D107 PolarHBondContact O-N 2.94Š| ||
| 108 | D | 40.1 | Very low | 43.9 | Very low | 160 Ų | 160 | 122 Ų | 122 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | trans | -159.3 | 156.2 | 139 | -141.3 | -33.7 | 0 | 0 | 0 | 110.6 | ||||
| 109 | V | 49.8 | Very low | 44.4 | Very low | 131 Ų | 131 | 122 Ų | 122 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | trans | -140 | 146.7 | -174.5 | -165.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 110 | L | 50.2 | Low | 44.9 | Very low | 157 Ų | 157 | 119.5 Ų | 119.5 | 82% | 0.822 | 73% | 0.729 | S | S | * | * | trans | 80.8 | 66.4 | 166 | -144.2 | 174.7 | 0 | 0 | 0 | 116.1 | ||||
| 111 | L | 44.3 | Very low | 45.7 | Very low | 176 Ų | 176 | 116.3 Ų | 116.3 | 92% | 0.921 | 71% | 0.71 | S | S | * | * | trans | -138.5 | 146 | 132.2 | -147.9 | 70.5 | 0 | 0 | 0 | 109.7 | ||||
| 112 | G | 45.7 | Very low | 46.5 | Very low | 68 Ų | 68 | 112.8 Ų | 112.8 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | trans | -118.3 | 170.5 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 113 | D | 51.5 | Low | 47.4 | Very low | 161 Ų | 161 | 108.8 Ų | 108.8 | 86% | 0.861 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 72.5 | 161.2 | 173.4 | -151.6 | 11.5 | 0 | 0 | 0 | 117.1 | H115 | D113-H115 PolarHBondContact O-N 3.33Š|
| 114 | A | 49.3 | Very low | 48.7 | Very low | 78 Ų | 78 | 105 Ų | 105 | 65% | 0.645 | 64% | 0.639 | S | S | * | * | S | Bend | trans | 69.5 | 0.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 115 | H | 44.9 | Very low | 49.9 | Very low | 135 Ų | 135 | 103.8 Ų | 103.8 | 63% | 0.625 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -115.7 | -0.9 | -179.5 | -78.1 | 3.9 | 0 | 0 | 0 | 116.3 | D113 Y118 | D113-H115 PolarHBondContact O-N 3.33Å; H115-Y118 HydrophobicContact CB-CE1 4.32Å; H115-Y118 WeakPolarHBondContact CB-OH 3.39Å; H115-Y118 PolarHBondContact CD2-OH 3.49Å; H115-Y118 AromaticContact CG-CZ 3.96Å; H115-Y118 AromaticContact ND1-CE1 3.83Å; H115-Y118 PolarHBondContact ND1-OH 3.36Å; H115-Y118 WeakPolarHBondContact O-CE2 3.19Å |
| 116 | S | 48.3 | Very low | 52 | Low | 84 Ų | 84 | 106.9 Ų | 106.9 | 59% | 0.587 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -83.9 | -24 | 177.8 | -172.3 | 0 | 0 | 0 | 0 | 114.3 | Y118 L120 | S116-Y118 PolarHBondContact O-N 3.26Å; S116-L120 WeakPolarHBondContact O-CD1 3.37Å; S116-L120 PolarHBondContact O-N 2.91Å |
| 117 | A | 49.5 | Very low | 53.8 | Low | 78 Ų | 78 | 107.9 Ų | 107.9 | 65% | 0.645 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.2 | -38.1 | -167 | 0 | 0 | 0 | 0 | 0 | 114.2 | A121 | A117-A121 PolarHBondContact O-N 3.43Å |
| 118 | Y | 47.8 | Very low | 56 | Low | 136 Ų | 136 | 101.2 Ų | 101.2 | 53% | 0.533 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -79.2 | -23.6 | -177.2 | 47.9 | -109.3 | 0 | 0 | 0 | 113.7 | H115 S116 A121 A122 | H115-Y118 HydrophobicContact CB-CE1 4.32Å; H115-Y118 WeakPolarHBondContact CB-OH 3.39Å; H115-Y118 PolarHBondContact CD2-OH 3.49Å; H115-Y118 AromaticContact CG-CZ 3.96Å; H115-Y118 AromaticContact ND1-CE1 3.83Å; H115-Y118 PolarHBondContact ND1-OH 3.36Å; H115-Y118 WeakPolarHBondContact O-CE2 3.19Å; S116-Y118 PolarHBondContact O-N 3.26Å; Y118-A121 WeakPolarHBondContact O-CB 3.47Å; Y118-A121 PolarHBondContact O-N 2.93Å; Y118-A122 PolarHBondContact O-N 3.33Å |
| 119 | D | 47.7 | Very low | 58.4 | Low | 111 Ų | 111 | 97 Ų | 97 | 59% | 0.594 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -79.5 | -30.8 | 175.5 | -158.4 | 29.9 | 0 | 0 | 0 | 111.6 | A121 A122 G123 | D119-A121 VanDerWaalsContact C-N 3.28Å; D119-A121 PolarHBondContact O-N 3.43Å; D119-A122 PolarHBondContact O-N 3.01Å; D119-G123 PolarHBondContact O-N 2.96Å |
| 120 | L | 52.7 | Low | 60.5 | Low | 78 Ų | 78 | 92.8 Ų | 92.8 | 41% | 0.408 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -56.8 | -43.5 | 163.6 | -94.7 | 74.9 | 0 | 0 | 0 | 111.2 | S116 G123 A124 Y224 | S116-L120 WeakPolarHBondContact O-CD1 3.37Å; S116-L120 PolarHBondContact O-N 2.91Å; L120-G123 PolarHBondContact O-N 3Å; L120-A124 PolarHBondContact O-N 3.19Å; L120-Y224 HydrophobicContact CD1-CE1 3.84Å; L120-Y224 WeakPolarHBondContact CD2-OH 3.48Å; L120-Y224 HydrophobicContact CG-CE1 4.02Å |
| 121 | A | 51.2 | Low | 62.7 | Low | 49 Ų | 49 | 88.3 Ų | 88.3 | 41% | 0.405 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.5 | -36.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A117 Y118 D119 G123 A124 N125 | A117-A121 PolarHBondContact O-N 3.43Å; Y118-A121 WeakPolarHBondContact O-CB 3.47Å; Y118-A121 PolarHBondContact O-N 2.93Å; D119-A121 VanDerWaalsContact C-N 3.28Å; D119-A121 PolarHBondContact O-N 3.43Å; A121-G123 VanDerWaalsContact C-N 3.28Å; A121-G123 PolarHBondContact O-N 3.2Å; A121-A124 PolarHBondContact O-N 3.06Å; A121-N125 PolarHBondContact O-N 3.34Å; A121-N125 PolarHBondContact O-ND2 2.96Å |
| 122 | A | 53.5 | Low | 65.2 | Low | 45 Ų | 45 | 82.2 Ų | 82.2 | 37% | 0.372 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.2 | -28.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y118 D119 | Y118-A122 PolarHBondContact O-N 3.33Å; D119-A122 PolarHBondContact O-N 3.01Å |
| 123 | G | 56.2 | Low | 67.7 | Low | 25 Ų | 25 | 79.7 Ų | 79.7 | 26% | 0.258 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -71.3 | -47.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D119 L120 A121 N125 R126 | D119-G123 PolarHBondContact O-N 2.96Å; L120-G123 PolarHBondContact O-N 3Å; A121-G123 VanDerWaalsContact C-N 3.28Å; A121-G123 PolarHBondContact O-N 3.2Å; G123-N125 PolarHBondContact O-N 3.31Å; G123-R126 WeakPolarHBondContact O-CB 3.44Å; G123-R126 PolarHBondContact O-N 3.06Å |
| 124 | A | 60.4 | Low | 69.9 | Low | 36 Ų | 36 | 72.3 Ų | 72.3 | 30% | 0.298 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.1 | -24.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L120 A121 R126 | L120-A124 PolarHBondContact O-N 3.19Å; A121-A124 PolarHBondContact O-N 3.06Å; A124-R126 VanDerWaalsContact C-N 3.31Å; A124-R126 PolarHBondContact O-N 3.45Å |
| 125 | N | 70.1 | Confident | 72.2 | Confident | 91 Ų | 91 | 68.7 Ų | 68.7 | 49% | 0.487 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 8 | 176.2 | -77.1 | -72.8 | 0 | 0 | 0 | 114.2 | A121 G123 Y163 | A121-N125 PolarHBondContact O-N 3.34Å; A121-N125 PolarHBondContact O-ND2 2.96Å; G123-N125 PolarHBondContact O-N 3.31Å; N125-Y163 WeakPolarHBondContact O-CD2 3.41Å |
| 126 | R | 83.3 | Confident | 74.7 | Confident | 168 Ų | 168 | 62.2 Ų | 62.2 | 63% | 0.634 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -93.1 | 144.6 | 175.6 | -61.4 | -173.3 | -177.9 | -152.7 | -0.3 | 111.6 | G123 A124 P128 | G123-R126 WeakPolarHBondContact O-CB 3.44Å; G123-R126 PolarHBondContact O-N 3.06Å; A124-R126 VanDerWaalsContact C-N 3.31Å; A124-R126 PolarHBondContact O-N 3.45Å; R126-P128 WeakPolarHBondContact O-CD 3.5Å |
| 127 | K | 88 | Confident | 77.1 | Confident | 146 Ų | 146 | 58.7 Ų | 58.7 | 64% | 0.635 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 122.6 | 176 | -176.2 | 175.7 | 178.3 | 179.1 | 0 | 110.3 | Y163 | K127-Y163 HydrophobicContact CB-CD1 4.33Å; K127-Y163 HydrophobicContact CB-CD2 4.23Å; K127-Y163 HydrophobicContact CB-CE1 3.92Å; K127-Y163 HydrophobicContact CB-CE2 3.78Å; K127-Y163 HydrophobicContact CB-CG 4.48Å; K127-Y163 HydrophobicContact CD-CE1 4.45Å; K127-Y163 HydrophobicContact CG-CD1 4.39Å; K127-Y163 HydrophobicContact CG-CE1 3.79Å |
| 128 | P | 90.6 | Very high | 79.3 | Confident | 12 Ų | 12 | 56.4 Ų | 56.4 | 8% | 0.078 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 147.2 | -177.7 | -25.8 | 35.1 | 0 | 0 | 0 | 112.8 | R126 Y130 F161 F164 | R126-P128 WeakPolarHBondContact O-CD 3.5Å; P128-Y130 HydrophobicContact CB-CD2 4.11Å; P128-Y130 PolarHBondContact O-N 3.49Å; P128-F161 HydrophobicContact CB-CD1 3.74Å; P128-F161 HydrophobicContact CB-CE1 3.99Å; P128-F161 HydrophobicContact CB-CG 4.37Å; P128-F161 HydrophobicContact CG-CB 3.77Å; P128-F161 HydrophobicContact CG-CD1 3.34Å; P128-F161 HydrophobicContact CG-CE1 4.11Å; P128-F161 HydrophobicContact CG-CG 3.7Å; P128-F164 HydrophobicContact CG-CE2 3.96Å |
| 129 | P | 91.3 | Very high | 81.7 | Confident | 71 Ų | 71 | 50 Ų | 50 | 46% | 0.461 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -76.2 | 30 | 178.6 | 34.5 | -37.4 | 0 | 0 | 0 | 113.1 | Y221 | P129-Y221 HydrophobicContact CG-CD2 3.84Š|
| 130 | Y | 94.1 | Very high | 84.1 | Confident | 43 Ų | 43 | 44.7 Ų | 44.7 | 17% | 0.169 | 25% | 0.248 | C | C | . | . | trans | -117.1 | 137.6 | -174.1 | -69.1 | -55.2 | 0 | 0 | 0 | 111 | P128 C134 L135 M138 F161 L216 T219 Y221 | P128-Y130 HydrophobicContact CB-CD2 4.11Å; P128-Y130 PolarHBondContact O-N 3.49Å; Y130-C134 HydrophobicContact CD1-CB 4.04Å; Y130-C134 HydrophobicContact CG-CB 4.38Å; Y130-L135 HydrophobicContact CD2-CD2 4.29Å; Y130-L135 HydrophobicContact CG-CD2 4.47Å; Y130-M138 HydrophobicContact CD1-CE 4.38Å; Y130-M138 HydrophobicContact CD2-CE 3.8Å; Y130-M138 HydrophobicContact CE1-CE 4.46Å; Y130-M138 HydrophobicContact CE2-CE 3.89Å; Y130-M138 HydrophobicContact CE2-SD 4.39Å; Y130-M138 HydrophobicContact CG-CE 4.04Å; Y130-F161 AromaticContact CD2-CE1 3.89Å; Y130-F161 HydrophobicContact CD2-CE1 3.89Å; Y130-F161 AromaticContact CD2-CZ 3.69Å; Y130-F161 HydrophobicContact CD2-CZ 3.69Å; Y130-F161 AromaticContact CE2-CE1 3.91Å; Y130-F161 HydrophobicContact CE2-CE1 3.91Å; Y130-F161 AromaticContact CE2-CZ 3.69Å; Y130-F161 HydrophobicContact CE2-CZ 3.69Å; Y130-L216 HydrophobicContact CD1-CD2 3.84Å; Y130-L216 HydrophobicContact CE1-CD2 3.54Å; Y130-T219 WeakPolarHBondContact CE1-O 3.4Å; Y130-Y221 HydrophobicContact CE2-CD2 4.5Å; Y130-Y221 HydrophobicContact CE2-CG 4.24Å; Y130-Y221 WeakPolarHBondContact OH-CB 3.24Å | ||
| 131 | S | 96.2 | Very high | 86.2 | Confident | 63 Ų | 63 | 43 Ų | 43 | 44% | 0.441 | 24% | 0.238 | S | C | . | . | trans | -72.5 | 159.2 | 168.6 | 68.8 | 0 | 0 | 0 | 0 | 110.8 | S133 C134 L135 | S131-S133 PolarHBondContact O-N 3.04Å; S131-C134 WeakPolarHBondContact O-CA 3.28Å; S131-C134 WeakPolarHBondContact O-CB 3.44Å; S131-C134 PolarHBondContact O-N 3.45Å; S131-C134 PolarHBondContact OG-N 2.95Å; S131-C134 PolarHBondContact OG-SG 2.98Å; S131-L135 PolarHBondContact O-N 2.99Å | ||
| 132 | F | 97.5 | Very high | 88.4 | Confident | 48 Ų | 48 | 45.6 Ų | 45.6 | 21% | 0.211 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.8 | -35.2 | 174.7 | -70 | -68.7 | 0 | 0 | 0 | 112.4 | C134 L135 I136 F164 W171 V175 N178 | F132-C134 VanDerWaalsContact C-N 3.3Å; F132-C134 PolarHBondContact O-N 3.31Å; F132-L135 HydrophobicContact CD1-CD1 4.11Å; F132-L135 PolarHBondContact O-N 3.36Å; F132-I136 WeakPolarHBondContact O-CB 3.46Å; F132-I136 WeakPolarHBondContact O-CD1 3.39Å; F132-I136 WeakPolarHBondContact O-CG1 3.44Å; F132-I136 PolarHBondContact O-N 3.5Å; F132-F164 HydrophobicContact CE1-CE1 4.05Å; F132-F164 HydrophobicContact CE1-CZ 4.35Å; F132-F164 HydrophobicContact CZ-CE1 4.45Å; F132-W171 HydrophobicContact CE1-CB 4.29Å; F132-W171 HydrophobicContact CZ-CB 4.22Å; F132-V175 HydrophobicContact CD1-CG2 3.72Å; F132-V175 HydrophobicContact CE1-CG2 4.15Å; F132-N178 HydrophobicContact CB-CB 4.2Å |
| 133 | S | 97.6 | Very high | 90.5 | Very high | 16 Ų | 16 | 43.8 Ų | 43.8 | 11% | 0.112 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.4 | -33.6 | 172.6 | -40.8 | 0 | 0 | 0 | 0 | 113.1 | S131 F137 N178 F185 | S131-S133 PolarHBondContact O-N 3.04Å; S133-F137 VanDerWaalsContact O-CB 3.24Å; S133-F137 WeakPolarHBondContact O-CB 3.34Å; S133-F137 PolarHBondContact O-N 3.19Å; S133-F137 VanDerWaalsContact O-N 3.08Å; S133-N178 PolarHBondContact OG-OD1 3.48Å; S133-F185 WeakPolarHBondContact O-CZ 3.47Å |
| 134 | C | 97.1 | Very high | 92.3 | Very high | 6 Ų | 6 | 48.5 Ų | 48.5 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.9 | -44.4 | 173.8 | -63.6 | 0 | 0 | 0 | 0 | 111.4 | Y130 S131 F132 F137 M138 L216 | Y130-C134 HydrophobicContact CD1-CB 4.04Å; Y130-C134 HydrophobicContact CG-CB 4.38Å; S131-C134 WeakPolarHBondContact O-CA 3.28Å; S131-C134 WeakPolarHBondContact O-CB 3.44Å; S131-C134 PolarHBondContact O-N 3.45Å; S131-C134 PolarHBondContact OG-N 2.95Å; S131-C134 PolarHBondContact OG-SG 2.98Å; F132-C134 VanDerWaalsContact C-N 3.3Å; F132-C134 PolarHBondContact O-N 3.31Å; C134-F137 PolarHBondContact O-N 3.08Å; C134-M138 WeakPolarHBondContact O-CG 3.15Å; C134-M138 PolarHBondContact O-N 2.91Å; C134-L216 HydrophobicContact CB-CD2 3.74Å |
| 135 | L | 97.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 177.7 | -63.3 | 173.9 | 0 | 0 | 0 | 111.9 | Y130 S131 F132 F137 M138 A139 I157 F161 F164 | Y130-L135 HydrophobicContact CD2-CD2 4.29Å; Y130-L135 HydrophobicContact CG-CD2 4.47Å; S131-L135 PolarHBondContact O-N 2.99Å; F132-L135 HydrophobicContact CD1-CD1 4.11Å; F132-L135 PolarHBondContact O-N 3.36Å; L135-F137 PolarHBondContact O-N 3.27Å; L135-M138 HydrophobicContact CD2-CE 3.94Å; L135-M138 PolarHBondContact O-N 3.45Å; L135-A139 PolarHBondContact O-N 3.03Å; L135-I157 HydrophobicContact CB-CD1 3.93Å; L135-I157 HydrophobicContact CB-CG1 4.18Å; L135-F161 HydrophobicContact CD2-CD2 3.61Å; L135-F161 HydrophobicContact CD2-CE2 3.43Å; L135-F161 VanDerWaalsContact CD2-CE2 3.43Å; L135-F161 HydrophobicContact CD2-CG 4.35Å; L135-F161 HydrophobicContact CD2-CZ 4.05Å; L135-F164 HydrophobicContact CD1-CE2 3.66Å; L135-F164 HydrophobicContact CD1-CZ 3.64Å |
| 136 | I | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 176.3 | -66.3 | 161.4 | 0 | 0 | 0 | 110.9 | F132 I140 I153 V175 N178 L179 F185 | F132-I136 WeakPolarHBondContact O-CB 3.46Å; F132-I136 WeakPolarHBondContact O-CD1 3.39Å; F132-I136 WeakPolarHBondContact O-CG1 3.44Å; F132-I136 PolarHBondContact O-N 3.5Å; I136-I140 HydrophobicContact CG2-CD1 3.68Å; I136-I140 HydrophobicContact CG2-CG1 4.4Å; I136-I140 WeakPolarHBondContact O-CG1 3.33Å; I136-I140 PolarHBondContact O-N 3.34Å; I136-I153 HydrophobicContact CG1-CG2 4.23Å; I136-V175 HydrophobicContact CD1-CG1 4.17Å; I136-V175 HydrophobicContact CG1-CG1 4.15Å; I136-N178 HydrophobicContact CD1-CB 3.72Å; I136-L179 HydrophobicContact CD1-CD2 4.27Å; I136-L179 HydrophobicContact CD1-CG 4.12Å; I136-L179 HydrophobicContact CG2-CD2 3.58Å; I136-F185 HydrophobicContact CB-CE1 4.16Å; I136-F185 HydrophobicContact CB-CE2 4.18Å; I136-F185 HydrophobicContact CB-CZ 3.79Å; I136-F185 HydrophobicContact CD1-CE2 4.22Å; I136-F185 HydrophobicContact CG2-CD1 3.79Å; I136-F185 HydrophobicContact CG2-CD2 4.18Å; I136-F185 HydrophobicContact CG2-CE1 3.48Å; I136-F185 VanDerWaalsContact CG2-CE1 3.48Å; I136-F185 HydrophobicContact CG2-CE2 3.89Å; I136-F185 HydrophobicContact CG2-CG 4.14Å; I136-F185 HydrophobicContact CG2-CZ 3.54Å |
| 137 | F | 98 | Very high | 95.7 | Very high | 10 Ų | 10 | 48.7 Ų | 48.7 | 4% | 0.044 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 176.4 | 170.8 | -90 | 0 | 0 | 0 | 111.4 | S133 C134 L135 I140 E141 F185 I204 R209 L212 I213 L216 | S133-F137 VanDerWaalsContact O-CB 3.24Å; S133-F137 WeakPolarHBondContact O-CB 3.34Å; S133-F137 PolarHBondContact O-N 3.19Å; S133-F137 VanDerWaalsContact O-N 3.08Å; C134-F137 PolarHBondContact O-N 3.08Å; L135-F137 PolarHBondContact O-N 3.27Å; F137-I140 PolarHBondContact O-N 3.4Å; F137-E141 HydrophobicContact CE1-CB 4.25Å; F137-E141 HydrophobicContact CE1-CG 4.39Å; F137-E141 HydrophobicContact CZ-CB 4.32Å; F137-E141 HydrophobicContact CZ-CG 4.27Å; F137-E141 WeakPolarHBondContact O-CB 3.49Å; F137-E141 PolarHBondContact O-N 3.28Å; F137-F185 HydrophobicContact CB-CE1 4.44Å; F137-I204 HydrophobicContact CD2-CD1 3.41Å; F137-I204 VanDerWaalsContact CD2-CD1 3.41Å; F137-I204 HydrophobicContact CD2-CG1 3.83Å; F137-I204 HydrophobicContact CD2-CG2 4.17Å; F137-I204 HydrophobicContact CE2-CD1 3.65Å; F137-I204 HydrophobicContact CE2-CG1 4.37Å; F137-I204 HydrophobicContact CE2-CG2 4.27Å; F137-I204 HydrophobicContact CG-CD1 4.24Å; F137-R209 HydrophobicContact CE2-CG 4.37Å; F137-L212 HydrophobicContact CB-CB 4.29Å; F137-L212 HydrophobicContact CB-CD1 4.25Å; F137-L212 HydrophobicContact CD1-CB 4.42Å; F137-L212 HydrophobicContact CD2-CB 3.48Å; F137-L212 VanDerWaalsContact CD2-CB 3.48Å; F137-L212 HydrophobicContact CD2-CD1 3.41Å; F137-L212 VanDerWaalsContact CD2-CD1 3.41Å; F137-L212 HydrophobicContact CD2-CG 4.03Å; F137-L212 HydrophobicContact CE2-CB 3.85Å; F137-L212 HydrophobicContact CE2-CD1 4.15Å; F137-L212 HydrophobicContact CG-CB 3.79Å; F137-L212 HydrophobicContact CG-CD1 4.14Å; F137-L212 HydrophobicContact CG-CG 4.47Å; F137-L212 HydrophobicContact CZ-CB 4.49Å; F137-I213 HydrophobicContact CE1-CG1 4.28Å; F137-I213 HydrophobicContact CE2-CG1 4.29Å; F137-I213 HydrophobicContact CZ-CD1 4.33Å; F137-I213 HydrophobicContact CZ-CG1 3.59Å; F137-L216 HydrophobicContact CD1-CD1 3.56Å; F137-L216 HydrophobicContact CD1-CG 4.43Å; F137-L216 HydrophobicContact CE1-CD1 3.56Å |
| 138 | M | 97.4 | Very high | 96 | Very high | 30 Ų | 30 | 42.9 Ų | 42.9 | 15% | 0.148 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.7 | -45.1 | -180 | -67.2 | -177.9 | -63 | 0 | 0 | 111.6 | Y130 C134 L135 I140 E141 D142 W156 F161 L216 | Y130-M138 HydrophobicContact CD1-CE 4.38Å; Y130-M138 HydrophobicContact CD2-CE 3.8Å; Y130-M138 HydrophobicContact CE1-CE 4.46Å; Y130-M138 HydrophobicContact CE2-CE 3.89Å; Y130-M138 HydrophobicContact CE2-SD 4.39Å; Y130-M138 HydrophobicContact CG-CE 4.04Å; C134-M138 WeakPolarHBondContact O-CG 3.15Å; C134-M138 PolarHBondContact O-N 2.91Å; L135-M138 HydrophobicContact CD2-CE 3.94Å; L135-M138 PolarHBondContact O-N 3.45Å; M138-I140 PolarHBondContact O-N 2.68Å; M138-E141 PolarHBondContact O-N 3.46Å; M138-D142 WeakPolarHBondContact O-CB 3.42Å; M138-D142 PolarHBondContact O-N 3.1Å; M138-W156 HydrophobicContact CB-CH2 3.34Å; M138-W156 HydrophobicContact CB-CZ2 3.96Å; M138-W156 HydrophobicContact CB-CZ3 3.86Å; M138-W156 HydrophobicContact CE-CH2 4.36Å; M138-W156 HydrophobicContact CG-CH2 4.46Å; M138-F161 HydrophobicContact CE-CE2 3.91Å; M138-F161 HydrophobicContact CE-CZ 3.87Å; M138-L216 HydrophobicContact CE-CD2 4.3Å; M138-L216 HydrophobicContact CG-CD1 3.9Å; M138-L216 HydrophobicContact CG-CD2 4.07Å; M138-L216 HydrophobicContact SD-CD1 4.34Å; M138-L216 HydrophobicContact SD-CD2 3.73Å |
| 139 | A | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.3 | -47.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | L135 E141 A143 L148 I153 W156 | L135-A139 PolarHBondContact O-N 3.03Å; A139-E141 VanDerWaalsContact C-N 3.31Å; A139-E141 PolarHBondContact O-N 2.97Å; A139-A143 PolarHBondContact O-N 3.29Å; A139-L148 HydrophobicContact CB-CD1 4.13Å; A139-L148 VanDerWaalsContact O-CD1 3.28Å; A139-L148 WeakPolarHBondContact O-CD1 3.34Å; A139-I153 HydrophobicContact CB-CG2 4.39Å; A139-W156 HydrophobicContact CB-CB 3.98Å; A139-W156 HydrophobicContact CB-CD2 3.59Å; A139-W156 HydrophobicContact CB-CE3 3.57Å; A139-W156 HydrophobicContact CB-CG 3.76Å; A139-W156 HydrophobicContact CB-CZ3 4.34Å |
| 140 | I | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.7 | -29.5 | 179.3 | -63.4 | 174.3 | 0 | 0 | 0 | 111.2 | I136 F137 M138 K146 L148 I153 F185 W202 I204 | I136-I140 HydrophobicContact CG2-CD1 3.68Å; I136-I140 HydrophobicContact CG2-CG1 4.4Å; I136-I140 WeakPolarHBondContact O-CG1 3.33Å; I136-I140 PolarHBondContact O-N 3.34Å; F137-I140 PolarHBondContact O-N 3.4Å; M138-I140 PolarHBondContact O-N 2.68Å; I140-K146 VanDerWaalsContact CG2-O 3.28Å; I140-K146 WeakPolarHBondContact CG2-O 3.24Å; I140-K146 WeakPolarHBondContact O-CA 3.28Å; I140-L148 HydrophobicContact CG1-CB 4.49Å; I140-I153 HydrophobicContact CD1-CD1 4.11Å; I140-I153 HydrophobicContact CG1-CD1 4.11Å; I140-I153 HydrophobicContact CG1-CG1 4.44Å; I140-F185 HydrophobicContact CD1-CD1 4.2Å; I140-W202 HydrophobicContact CD1-CB 4.14Å; I140-I204 HydrophobicContact CB-CD1 3.95Å; I140-I204 HydrophobicContact CB-CG1 4.1Å; I140-I204 HydrophobicContact CG2-CD1 3.75Å; I140-I204 HydrophobicContact CG2-CG1 3.78Å |
| 141 | E | 97.1 | Very high | 96.6 | Very high | 42 Ų | 42 | 45.7 Ų | 45.7 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -75.9 | -35.2 | 177.6 | -174 | 54.8 | -150.1 | 0 | 0 | 112.9 | F137 M138 A139 K146 I204 R209 | F137-E141 HydrophobicContact CE1-CB 4.25Å; F137-E141 HydrophobicContact CE1-CG 4.39Å; F137-E141 HydrophobicContact CZ-CB 4.32Å; F137-E141 HydrophobicContact CZ-CG 4.27Å; F137-E141 WeakPolarHBondContact O-CB 3.49Å; F137-E141 PolarHBondContact O-N 3.28Å; M138-E141 PolarHBondContact O-N 3.46Å; A139-E141 VanDerWaalsContact C-N 3.31Å; A139-E141 PolarHBondContact O-N 2.97Å; E141-K146 WeakPolarHBondContact O-CD 3.37Å; E141-K146 PolarHBondContact O-NZ 3.15Å; E141-K146 IonicContact OE1-NZ 2.77Å; E141-K146 PolarHBondContact OE1-NZ 3.31Å; E141-I204 HydrophobicContact CB-CD1 4.27Å; E141-R209 IonicContact OE1-CZ 2.76Å; E141-R209 IonicContact OE1-NH1 3.12Å; E141-R209 IonicContact OE1-NH2 2.82Å; E141-R209 PolarHBondContact OE1-NH2 2.93Å; E141-R209 IonicContact OE2-CZ 2.63Å; E141-R209 IonicContact OE2-NH1 2.58Å; E141-R209 PolarHBondContact OE2-NH1 3.32Å; E141-R209 IonicContact OE2-NH2 2.87Å; E141-R209 PolarHBondContact OE2-NH2 3.34Å |
| 142 | D | 97.3 | Very high | 96.6 | Very high | 104 Ų | 104 | 46.6 Ų | 46.6 | 56% | 0.556 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -69.9 | -35.4 | 177.2 | -166.5 | 43.9 | 0 | 0 | 0 | 111.6 | M138 W156 | M138-D142 WeakPolarHBondContact O-CB 3.42Å; M138-D142 PolarHBondContact O-N 3.1Å; D142-W156 HydrophobicContact CB-CZ2 4.44Å; D142-W156 PolarHBondContact OD2-NE1 2.85Å |
| 143 | A | 95.9 | Very high | 96.6 | Very high | 8 Ų | 8 | 44.3 Ų | 44.3 | 7% | 0.066 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -56 | 131.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A139 N145 K146 L148 | A139-A143 PolarHBondContact O-N 3.29Å; A143-N145 PolarHBondContact O-N 2.91Å; A143-N145 VanDerWaalsContact O-N 3.12Å; A143-K146 PolarHBondContact O-N 2.98Å; A143-L148 HydrophobicContact CB-CD1 4.07Å; A143-L148 HydrophobicContact CB-CD2 3.58Å; A143-L148 HydrophobicContact CB-CG 3.61Å |
| 144 | P | 94.3 | Very high | 96.6 | Very high | 123 Ų | 123 | 45.6 Ų | 45.6 | 80% | 0.799 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -30.4 | -173.1 | 23.6 | -34.5 | 0 | 0 | 0 | 113.2 | ||
| 145 | N | 93.3 | Very high | 96.6 | Very high | 109 Ų | 109 | 47 Ų | 47 | 58% | 0.583 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 3 | 178.5 | -67 | -65.8 | 0 | 0 | 0 | 113.9 | A143 R147 | A143-N145 PolarHBondContact O-N 2.91Å; A143-N145 VanDerWaalsContact O-N 3.12Å; N145-R147 HydrophobicContact CB-CG 3.81Å; N145-R147 WeakPolarHBondContact O-CG 3.29Å; N145-R147 PolarHBondContact O-N 2.99Å; N145-R147 VanDerWaalsContact O-N 3.07Å |
| 146 | K | 96.1 | Very high | 96.6 | Very high | 93 Ų | 93 | 48.4 Ų | 48.4 | 40% | 0.404 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 50 | 29.8 | -172.9 | -50.9 | -64.3 | 171.9 | 173.3 | 0 | 114.2 | I140 E141 A143 | I140-K146 VanDerWaalsContact CG2-O 3.28Å; I140-K146 WeakPolarHBondContact CG2-O 3.24Å; I140-K146 WeakPolarHBondContact O-CA 3.28Å; E141-K146 WeakPolarHBondContact O-CD 3.37Å; E141-K146 PolarHBondContact O-NZ 3.15Å; E141-K146 IonicContact OE1-NZ 2.77Å; E141-K146 PolarHBondContact OE1-NZ 3.31Å; A143-K146 PolarHBondContact O-N 2.98Å |
| 147 | R | 95.3 | Very high | 96.5 | Very high | 97 Ų | 97 | 48.4 Ų | 48.4 | 37% | 0.366 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 137.1 | -179.5 | 68.4 | -164.8 | 177 | 169.9 | -3.2 | 110.5 | N145 L201 W202 | N145-R147 HydrophobicContact CB-CG 3.81Å; N145-R147 WeakPolarHBondContact O-CG 3.29Å; N145-R147 PolarHBondContact O-N 2.99Å; N145-R147 VanDerWaalsContact O-N 3.07Å; R147-L201 HydrophobicContact CG-CD1 4.27Å; R147-W202 CarbonylContact C-O 3.59Å; R147-W202 WeakPolarHBondContact CA-O 3.36Å |
| 148 | L | 95.8 | Very high | 96.4 | Very high | 24 Ų | 24 | 51.1 Ų | 51.1 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 149.4 | 178.4 | -72.4 | -179 | 0 | 0 | 0 | 111.8 | A139 I140 A143 D152 I153 W202 | A139-L148 HydrophobicContact CB-CD1 4.13Å; A139-L148 VanDerWaalsContact O-CD1 3.28Å; A139-L148 WeakPolarHBondContact O-CD1 3.34Å; I140-L148 HydrophobicContact CG1-CB 4.49Å; A143-L148 HydrophobicContact CB-CD1 4.07Å; A143-L148 HydrophobicContact CB-CD2 3.58Å; A143-L148 HydrophobicContact CB-CG 3.61Å; L148-D152 HydrophobicContact CB-CB 4.44Å; L148-D152 HydrophobicContact CD1-CB 4.4Å; L148-D152 HydrophobicContact CD2-CB 4Å; L148-I153 HydrophobicContact CB-CD1 4.27Å; L148-I153 HydrophobicContact CB-CG1 3.82Å; L148-I153 HydrophobicContact CD1-CG1 3.97Å; L148-W202 PolarHBondContact N-O 2.81Å; L148-W202 PolarHBondContact O-N 2.93Å |
| 149 | P | 95.8 | Very high | 96.3 | Very high | 28 Ų | 28 | 56.7 Ų | 56.7 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 166.6 | 161.8 | 36.2 | -36 | 0 | 0 | 0 | 110.6 | K151 D152 I153 L201 | P149-K151 VanDerWaalsContact C-N 3.32Å; P149-K151 PolarHBondContact O-N 3.24Å; P149-D152 WeakPolarHBondContact CD-OD2 3.39Å; P149-D152 HydrophobicContact CG-CB 4.06Å; P149-D152 WeakPolarHBondContact CG-OD1 3.48Å; P149-D152 WeakPolarHBondContact CG-OD2 3.46Å; P149-D152 PolarHBondContact O-N 2.96Å; P149-I153 PolarHBondContact O-N 2.91Å; P149-L201 HydrophobicContact CB-CD2 4.13Å; P149-L201 HydrophobicContact CG-CD2 4.37Å |
| 150 | V | 96.2 | Very high | 96.1 | Very high | 34 Ų | 34 | 60.6 Ų | 60.6 | 21% | 0.206 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.6 | -31 | -174.8 | -168.4 | 0 | 0 | 0 | 0 | 113.1 | I153 Y154 R176 L179 | V150-I153 PolarHBondContact O-N 3.01Å; V150-Y154 HydrophobicContact CG1-CE1 3.9Å; V150-Y154 HydrophobicContact CG1-CE2 4.12Å; V150-Y154 WeakPolarHBondContact O-CD2 3.38Å; V150-Y154 PolarHBondContact O-N 3.07Å; V150-R176 HydrophobicContact CG1-CG 4.18Å; V150-L179 HydrophobicContact CG1-CD1 4.16Å; V150-L179 HydrophobicContact CG2-CD1 4.02Å |
| 151 | K | 95.8 | Very high | 96 | Very high | 124 Ų | 124 | 61.4 Ų | 61.4 | 54% | 0.539 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 178.6 | -175.5 | 157.6 | -178.9 | 153.4 | 0 | 111.3 | E57 P149 I153 Y154 G155 | E57-K151 IonicContact OE1-NZ 3.85Å; E57-K151 PolarHBondContact OE1-NZ 3.2Å; E57-K151 VanDerWaalsContact OE1-NZ 3.16Å; E57-K151 IonicContact OE2-NZ 3.99Å; E57-K151 PolarHBondContact OE2-NZ 3.49Å; P149-K151 VanDerWaalsContact C-N 3.32Å; P149-K151 PolarHBondContact O-N 3.24Å; K151-I153 VanDerWaalsContact C-N 3.33Å; K151-I153 PolarHBondContact O-N 2.95Å; K151-Y154 WeakPolarHBondContact O-CB 3.14Å; K151-Y154 PolarHBondContact O-N 3.41Å; K151-Y154 VanDerWaalsContact O-N 3.08Å; K151-G155 PolarHBondContact O-N 3.08Å; K151-G155 VanDerWaalsContact O-N 3.08Å |
| 152 | D | 96.6 | Very high | 95.7 | Very high | 81 Ų | 81 | 62.2 Ų | 62.2 | 43% | 0.433 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.9 | -33.2 | -177.9 | -51.7 | 9.3 | 0 | 0 | 0 | 111.3 | L148 P149 Y154 G155 W156 | L148-D152 HydrophobicContact CB-CB 4.44Å; L148-D152 HydrophobicContact CD1-CB 4.4Å; L148-D152 HydrophobicContact CD2-CB 4Å; P149-D152 WeakPolarHBondContact CD-OD2 3.39Å; P149-D152 HydrophobicContact CG-CB 4.06Å; P149-D152 WeakPolarHBondContact CG-OD1 3.48Å; P149-D152 WeakPolarHBondContact CG-OD2 3.46Å; P149-D152 PolarHBondContact O-N 2.96Å; D152-Y154 VanDerWaalsContact C-N 3.31Å; D152-Y154 PolarHBondContact O-N 3.26Å; D152-G155 PolarHBondContact O-N 3.21Å; D152-W156 WeakPolarHBondContact O-CB 3.34Å; D152-W156 PolarHBondContact O-N 3.46Å |
| 153 | I | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63 | -36.7 | 171.4 | -62.8 | 169.5 | 0 | 0 | 0 | 111.1 | I136 A139 I140 L148 P149 V150 K151 I157 V175 L179 | I136-I153 HydrophobicContact CG1-CG2 4.23Å; A139-I153 HydrophobicContact CB-CG2 4.39Å; I140-I153 HydrophobicContact CD1-CD1 4.11Å; I140-I153 HydrophobicContact CG1-CD1 4.11Å; I140-I153 HydrophobicContact CG1-CG1 4.44Å; L148-I153 HydrophobicContact CB-CD1 4.27Å; L148-I153 HydrophobicContact CB-CG1 3.82Å; L148-I153 HydrophobicContact CD1-CG1 3.97Å; P149-I153 PolarHBondContact O-N 2.91Å; V150-I153 PolarHBondContact O-N 3.01Å; K151-I153 VanDerWaalsContact C-N 3.33Å; K151-I153 PolarHBondContact O-N 2.95Å; I153-I157 HydrophobicContact CG2-CD1 3.98Å; I153-I157 WeakPolarHBondContact O-CB 3.44Å; I153-I157 WeakPolarHBondContact O-CD1 3.37Å; I153-I157 VanDerWaalsContact O-CG1 3.23Å; I153-I157 WeakPolarHBondContact O-CG1 3.5Å; I153-I157 PolarHBondContact O-N 3.37Å; I153-V175 HydrophobicContact CG2-CG1 4.04Å; I153-L179 HydrophobicContact CD1-CD1 4.29Å; I153-L179 HydrophobicContact CD1-CD2 4.32Å |
| 154 | Y | 96.9 | Very high | 95.5 | Very high | 44 Ų | 44 | 60.3 Ų | 60.3 | 17% | 0.173 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.5 | -43.5 | 172.5 | -54.3 | -40.6 | 0 | 0 | 0 | 111.6 | V150 K151 D152 I157 L158 W171 K172 V175 R176 | V150-Y154 HydrophobicContact CG1-CE1 3.9Å; V150-Y154 HydrophobicContact CG1-CE2 4.12Å; V150-Y154 WeakPolarHBondContact O-CD2 3.38Å; V150-Y154 PolarHBondContact O-N 3.07Å; K151-Y154 WeakPolarHBondContact O-CB 3.14Å; K151-Y154 PolarHBondContact O-N 3.41Å; K151-Y154 VanDerWaalsContact O-N 3.08Å; D152-Y154 VanDerWaalsContact C-N 3.31Å; D152-Y154 PolarHBondContact O-N 3.26Å; Y154-I157 PolarHBondContact O-N 3.44Å; Y154-L158 WeakPolarHBondContact O-CG 3.16Å; Y154-L158 PolarHBondContact O-N 3.44Å; Y154-L158 VanDerWaalsContact O-N 3.07Å; Y154-W171 HydrophobicContact CD1-CH2 4.17Å; Y154-W171 AromaticContact CD1-CZ3 3.95Å; Y154-W171 HydrophobicContact CD1-CZ3 3.95Å; Y154-W171 HydrophobicContact CG-CH2 4.44Å; Y154-K172 HydrophobicContact CD1-CG 4.48Å; Y154-K172 HydrophobicContact CE1-CB 3.92Å; Y154-K172 HydrophobicContact CE1-CG 4.34Å; Y154-V175 HydrophobicContact CD1-CG1 4.35Å; Y154-V175 HydrophobicContact CE1-CB 4.22Å; Y154-V175 HydrophobicContact CE1-CG1 4.07Å; Y154-R176 WeakPolarHBondContact OH-CD 3.48Å; Y154-R176 WeakPolarHBondContact OH-CG 3.42Å; Y154-R176 PolarHBondContact OH-NH1 2.9Å |
| 155 | G | 97 | Very high | 95.4 | Very high | 35 Ų | 35 | 57.8 Ų | 57.8 | 36% | 0.361 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.7 | -51.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K151 D152 I157 L158 E159 | K151-G155 PolarHBondContact O-N 3.08Å; K151-G155 VanDerWaalsContact O-N 3.08Å; D152-G155 PolarHBondContact O-N 3.21Å; G155-I157 VanDerWaalsContact C-N 3.31Å; G155-I157 PolarHBondContact O-N 3.08Å; G155-L158 WeakPolarHBondContact O-CB 3.41Å; G155-L158 PolarHBondContact O-N 3.24Å; G155-L158 VanDerWaalsContact O-N 3.1Å; G155-E159 PolarHBondContact O-N 3.37Å |
| 156 | W | 97.7 | Very high | 95.2 | Very high | 30 Ų | 30 | 58.9 Ų | 58.9 | 11% | 0.114 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.9 | -41.5 | 178.4 | -171.1 | 96 | 0 | 0 | 0 | 112.3 | M138 A139 D142 D152 E159 H160 F161 | M138-W156 HydrophobicContact CB-CH2 3.34Å; M138-W156 HydrophobicContact CB-CZ2 3.96Å; M138-W156 HydrophobicContact CB-CZ3 3.86Å; M138-W156 HydrophobicContact CE-CH2 4.36Å; M138-W156 HydrophobicContact CG-CH2 4.46Å; A139-W156 HydrophobicContact CB-CB 3.98Å; A139-W156 HydrophobicContact CB-CD2 3.59Å; A139-W156 HydrophobicContact CB-CE3 3.57Å; A139-W156 HydrophobicContact CB-CG 3.76Å; A139-W156 HydrophobicContact CB-CZ3 4.34Å; D142-W156 HydrophobicContact CB-CZ2 4.44Å; D142-W156 PolarHBondContact OD2-NE1 2.85Å; D152-W156 WeakPolarHBondContact O-CB 3.34Å; D152-W156 PolarHBondContact O-N 3.46Å; W156-E159 PolarHBondContact O-N 3.32Å; W156-H160 AromaticContact CD1-CE1 3.58Å; W156-H160 AromaticContact CD1-ND1 3.77Å; W156-H160 AromaticContact CD2-ND1 3.58Å; W156-H160 AromaticContact CE2-CD2 3.89Å; W156-H160 AromaticContact CE2-CE1 3.46Å; W156-H160 VanDerWaalsContact CE2-CE1 3.46Å; W156-H160 AromaticContact CE2-CG 3.71Å; W156-H160 AromaticContact CE2-ND1 3.42Å; W156-H160 AromaticContact CE2-NE2 3.74Å; W156-H160 HydrophobicContact CE3-CB 4.33Å; W156-H160 AromaticContact CG-ND1 3.79Å; W156-H160 HydrophobicContact CH2-CB 4.08Å; W156-H160 AromaticContact CH2-CG 3.89Å; W156-H160 HydrophobicContact CZ2-CB 4.34Å; W156-H160 AromaticContact CZ2-CD2 3.57Å; W156-H160 AromaticContact CZ2-CE1 3.95Å; W156-H160 AromaticContact CZ2-CG 3.65Å; W156-H160 AromaticContact CZ2-ND1 3.88Å; W156-H160 AromaticContact CZ2-NE2 3.76Å; W156-H160 HydrophobicContact CZ3-CB 4.11Å; W156-H160 AromaticContact NE1-CE1 3.2Å; W156-H160 PolarHBondContact NE1-CE1 2.79Å; W156-H160 AromaticContact NE1-ND1 3.57Å; W156-H160 AromaticContact NE1-NE2 3.66Å; W156-H160 WeakPolarHBondContact O-CB 3.46Å; W156-H160 PolarHBondContact O-N 3.29Å; W156-H160 PolarHBondContact O-ND1 2.92Å; W156-F161 HydrophobicContact CH2-CE2 4.13Å; W156-F161 HydrophobicContact CZ3-CD2 4.38Å; W156-F161 AromaticContact CZ3-CE2 3.86Å; W156-F161 HydrophobicContact CZ3-CE2 3.86Å |
| 157 | I | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.5 | -38.3 | 177.3 | -71.2 | 172 | 0 | 0 | 0 | 111.7 | L135 I153 Y154 G155 F161 F164 W171 V175 | L135-I157 HydrophobicContact CB-CD1 3.93Å; L135-I157 HydrophobicContact CB-CG1 4.18Å; I153-I157 HydrophobicContact CG2-CD1 3.98Å; I153-I157 WeakPolarHBondContact O-CB 3.44Å; I153-I157 WeakPolarHBondContact O-CD1 3.37Å; I153-I157 VanDerWaalsContact O-CG1 3.23Å; I153-I157 WeakPolarHBondContact O-CG1 3.5Å; I153-I157 PolarHBondContact O-N 3.37Å; Y154-I157 PolarHBondContact O-N 3.44Å; G155-I157 VanDerWaalsContact C-N 3.31Å; G155-I157 PolarHBondContact O-N 3.08Å; I157-F161 WeakPolarHBondContact O-CB 3.23Å; I157-F161 PolarHBondContact O-N 2.81Å; I157-F164 HydrophobicContact CG2-CB 4.09Å; I157-F164 HydrophobicContact CG2-CD2 3.42Å; I157-F164 VanDerWaalsContact CG2-CD2 3.42Å; I157-F164 HydrophobicContact CG2-CE2 3.94Å; I157-F164 HydrophobicContact CG2-CG 3.79Å; I157-W171 HydrophobicContact CB-CZ3 4.39Å; I157-W171 HydrophobicContact CD1-CZ3 4.41Å; I157-W171 HydrophobicContact CG2-CH2 4.21Å; I157-W171 HydrophobicContact CG2-CZ3 3.99Å; I157-V175 HydrophobicContact CD1-CG2 4.11Å |
| 158 | L | 95.4 | Very high | 94.7 | Very high | 67 Ų | 67 | 54.5 Ų | 54.5 | 35% | 0.351 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.8 | -40.7 | 177.6 | -74.3 | 166.6 | 0 | 0 | 0 | 112.3 | Y154 G155 F164 A165 W171 | Y154-L158 WeakPolarHBondContact O-CG 3.16Å; Y154-L158 PolarHBondContact O-N 3.44Å; Y154-L158 VanDerWaalsContact O-N 3.07Å; G155-L158 WeakPolarHBondContact O-CB 3.41Å; G155-L158 PolarHBondContact O-N 3.24Å; G155-L158 VanDerWaalsContact O-N 3.1Å; L158-F164 VanDerWaalsContact CD2-C 3.47Å; L158-F164 HydrophobicContact CD2-CB 4.12Å; L158-A165 HydrophobicContact CD2-CB 4.03Å; L158-W171 HydrophobicContact CD1-CZ2 4.36Å; L158-W171 HydrophobicContact CD2-CZ2 3.9Å; L158-W171 HydrophobicContact CG-CH2 4.18Å; L158-W171 HydrophobicContact CG-CZ2 4.01Å |
| 159 | E | 95.7 | Very high | 94.2 | Very high | 148 Ų | 148 | 56.6 Ų | 56.6 | 69% | 0.692 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65.3 | -47.6 | 177.4 | -179.8 | 177.3 | -154.7 | 0 | 0 | 112.1 | G155 W156 | G155-E159 PolarHBondContact O-N 3.37Å; W156-E159 PolarHBondContact O-N 3.32Å |
| 160 | H | 94.2 | Very high | 94.2 | Very high | 82 Ų | 82 | 56.7 Ų | 56.7 | 38% | 0.38 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -84.1 | -21.6 | -174.4 | -70.3 | 72.5 | 0 | 0 | 0 | 113.8 | W156 | W156-H160 AromaticContact CD1-CE1 3.58Å; W156-H160 AromaticContact CD1-ND1 3.77Å; W156-H160 AromaticContact CD2-ND1 3.58Å; W156-H160 AromaticContact CE2-CD2 3.89Å; W156-H160 AromaticContact CE2-CE1 3.46Å; W156-H160 VanDerWaalsContact CE2-CE1 3.46Å; W156-H160 AromaticContact CE2-CG 3.71Å; W156-H160 AromaticContact CE2-ND1 3.42Å; W156-H160 AromaticContact CE2-NE2 3.74Å; W156-H160 HydrophobicContact CE3-CB 4.33Å; W156-H160 AromaticContact CG-ND1 3.79Å; W156-H160 HydrophobicContact CH2-CB 4.08Å; W156-H160 AromaticContact CH2-CG 3.89Å; W156-H160 HydrophobicContact CZ2-CB 4.34Å; W156-H160 AromaticContact CZ2-CD2 3.57Å; W156-H160 AromaticContact CZ2-CE1 3.95Å; W156-H160 AromaticContact CZ2-CG 3.65Å; W156-H160 AromaticContact CZ2-ND1 3.88Å; W156-H160 AromaticContact CZ2-NE2 3.76Å; W156-H160 HydrophobicContact CZ3-CB 4.11Å; W156-H160 AromaticContact NE1-CE1 3.2Å; W156-H160 PolarHBondContact NE1-CE1 2.79Å; W156-H160 AromaticContact NE1-ND1 3.57Å; W156-H160 AromaticContact NE1-NE2 3.66Å; W156-H160 WeakPolarHBondContact O-CB 3.46Å; W156-H160 PolarHBondContact O-N 3.29Å; W156-H160 PolarHBondContact O-ND1 2.92Å |
| 161 | F | 94.1 | Very high | 94.2 | Very high | 17 Ų | 17 | 56 Ų | 56 | 8% | 0.075 | 31% | 0.311 | C | S | . | . | trans | -138.7 | 80 | -176.1 | -60.8 | -73.3 | 0 | 0 | 0 | 111.5 | P128 Y130 L135 M138 W156 I157 Y163 F164 | P128-F161 HydrophobicContact CB-CD1 3.74Å; P128-F161 HydrophobicContact CB-CE1 3.99Å; P128-F161 HydrophobicContact CB-CG 4.37Å; P128-F161 HydrophobicContact CG-CB 3.77Å; P128-F161 HydrophobicContact CG-CD1 3.34Å; P128-F161 HydrophobicContact CG-CE1 4.11Å; P128-F161 HydrophobicContact CG-CG 3.7Å; Y130-F161 AromaticContact CD2-CE1 3.89Å; Y130-F161 HydrophobicContact CD2-CE1 3.89Å; Y130-F161 AromaticContact CD2-CZ 3.69Å; Y130-F161 HydrophobicContact CD2-CZ 3.69Å; Y130-F161 AromaticContact CE2-CE1 3.91Å; Y130-F161 HydrophobicContact CE2-CE1 3.91Å; Y130-F161 AromaticContact CE2-CZ 3.69Å; Y130-F161 HydrophobicContact CE2-CZ 3.69Å; L135-F161 HydrophobicContact CD2-CD2 3.61Å; L135-F161 HydrophobicContact CD2-CE2 3.43Å; L135-F161 VanDerWaalsContact CD2-CE2 3.43Å; L135-F161 HydrophobicContact CD2-CG 4.35Å; L135-F161 HydrophobicContact CD2-CZ 4.05Å; M138-F161 HydrophobicContact CE-CE2 3.91Å; M138-F161 HydrophobicContact CE-CZ 3.87Å; W156-F161 HydrophobicContact CH2-CE2 4.13Å; W156-F161 HydrophobicContact CZ3-CD2 4.38Å; W156-F161 AromaticContact CZ3-CE2 3.86Å; W156-F161 HydrophobicContact CZ3-CE2 3.86Å; I157-F161 WeakPolarHBondContact O-CB 3.23Å; I157-F161 PolarHBondContact O-N 2.81Å; F161-Y163 PolarHBondContact O-N 2.87Å; F161-F164 HydrophobicContact CB-CD2 3.78Å; F161-F164 HydrophobicContact CB-CE2 4.11Å; F161-F164 PolarHBondContact O-N 3.45Å | ||
| 162 | P | 92.3 | Very high | 94.2 | Very high | 58 Ų | 58 | 53.1 Ų | 53.1 | 38% | 0.377 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -51.3 | -29.1 | -173.9 | -31.7 | 37.4 | 0 | 0 | 0 | 115.6 | F164 A165 | P162-F164 PolarHBondContact O-N 2.89Å; P162-A165 VanDerWaalsContact O-CB 3.28Å; P162-A165 WeakPolarHBondContact O-CB 3.42Å; P162-A165 PolarHBondContact O-N 3.01Å |
| 163 | Y | 93.6 | Very high | 94.2 | Very high | 61 Ų | 61 | 53.7 Ų | 53.7 | 24% | 0.239 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -40.7 | -38.7 | 168.2 | 170.6 | -95.7 | 0 | 0 | 0 | 114.3 | N125 K127 F161 A165 N166 A167 | N125-Y163 WeakPolarHBondContact O-CD2 3.41Å; K127-Y163 HydrophobicContact CB-CD1 4.33Å; K127-Y163 HydrophobicContact CB-CD2 4.23Å; K127-Y163 HydrophobicContact CB-CE1 3.92Å; K127-Y163 HydrophobicContact CB-CE2 3.78Å; K127-Y163 HydrophobicContact CB-CG 4.48Å; K127-Y163 HydrophobicContact CD-CE1 4.45Å; K127-Y163 HydrophobicContact CG-CD1 4.39Å; K127-Y163 HydrophobicContact CG-CE1 3.79Å; F161-Y163 PolarHBondContact O-N 2.87Å; Y163-A165 VanDerWaalsContact C-N 3.28Å; Y163-A165 PolarHBondContact O-N 2.88Å; Y163-N166 PolarHBondContact O-N 3.28Å; Y163-A167 HydrophobicContact CD1-CB 4.36Å; Y163-A167 HydrophobicContact CE1-CB 3.9Å; Y163-A167 WeakPolarHBondContact O-CB 3.49Å; Y163-A167 PolarHBondContact O-N 3.2Å; Y163-A167 VanDerWaalsContact O-N 3.16Å |
| 164 | F | 94.3 | Very high | 94.2 | Very high | 12 Ų | 12 | 55.7 Ų | 55.7 | 5% | 0.053 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -74.4 | -12.8 | -178 | -71.1 | -72.2 | 0 | 0 | 0 | 114.7 | P128 F132 L135 I157 L158 F161 P162 N166 A167 W171 | P128-F164 HydrophobicContact CG-CE2 3.96Å; F132-F164 HydrophobicContact CE1-CE1 4.05Å; F132-F164 HydrophobicContact CE1-CZ 4.35Å; F132-F164 HydrophobicContact CZ-CE1 4.45Å; L135-F164 HydrophobicContact CD1-CE2 3.66Å; L135-F164 HydrophobicContact CD1-CZ 3.64Å; I157-F164 HydrophobicContact CG2-CB 4.09Å; I157-F164 HydrophobicContact CG2-CD2 3.42Å; I157-F164 VanDerWaalsContact CG2-CD2 3.42Å; I157-F164 HydrophobicContact CG2-CE2 3.94Å; I157-F164 HydrophobicContact CG2-CG 3.79Å; L158-F164 VanDerWaalsContact CD2-C 3.47Å; L158-F164 HydrophobicContact CD2-CB 4.12Å; F161-F164 HydrophobicContact CB-CD2 3.78Å; F161-F164 HydrophobicContact CB-CE2 4.11Å; F161-F164 PolarHBondContact O-N 3.45Å; P162-F164 PolarHBondContact O-N 2.89Å; F164-N166 VanDerWaalsContact C-N 3.32Å; F164-A167 HydrophobicContact CD1-CB 4.09Å; F164-W171 HydrophobicContact CB-CD2 4.42Å; F164-W171 HydrophobicContact CB-CZ2 4.11Å; F164-W171 HydrophobicContact CD1-CB 4.13Å; F164-W171 AromaticContact CD1-CD2 3.86Å; F164-W171 HydrophobicContact CD1-CD2 3.86Å; F164-W171 HydrophobicContact CD1-CE3 4.25Å; F164-W171 AromaticContact CD1-CG 3.81Å; F164-W171 HydrophobicContact CD1-CG 3.81Å; F164-W171 HydrophobicContact CE1-CB 4.28Å; F164-W171 HydrophobicContact CE1-CG 4.44Å; F164-W171 HydrophobicContact CG-CD2 4.46Å; F164-W171 PolarHBondContact O-NE1 3.16Å |
| 165 | A | 92.3 | Very high | 94.3 | Very high | 69 Ų | 69 | 53.6 Ų | 53.6 | 57% | 0.57 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -69.7 | -31.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | L158 P162 Y163 | L158-A165 HydrophobicContact CD2-CB 4.03Å; P162-A165 VanDerWaalsContact O-CB 3.28Å; P162-A165 WeakPolarHBondContact O-CB 3.42Å; P162-A165 PolarHBondContact O-N 3.01Å; Y163-A165 VanDerWaalsContact C-N 3.28Å; Y163-A165 PolarHBondContact O-N 2.88Å |
| 166 | N | 90.3 | Very high | 94.3 | Very high | 133 Ų | 133 | 56.3 Ų | 56.3 | 71% | 0.711 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -108.9 | 3.8 | 178.6 | -59.2 | 98.9 | 0 | 0 | 0 | 113.4 | Y163 F164 | Y163-N166 PolarHBondContact O-N 3.28Å; F164-N166 VanDerWaalsContact C-N 3.32Å |
| 167 | A | 89.1 | Confident | 94.3 | Very high | 15 Ų | 15 | 59.8 Ų | 59.8 | 12% | 0.124 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -77.2 | 151.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y163 F164 T169 | Y163-A167 HydrophobicContact CD1-CB 4.36Å; Y163-A167 HydrophobicContact CE1-CB 3.9Å; Y163-A167 WeakPolarHBondContact O-CB 3.49Å; Y163-A167 PolarHBondContact O-N 3.2Å; Y163-A167 VanDerWaalsContact O-N 3.16Å; F164-A167 HydrophobicContact CD1-CB 4.09Å; A167-T169 PolarHBondContact O-N 3.4Å |
| 168 | P | 90.1 | Very high | 94.3 | Very high | 83 Ų | 83 | 61.2 Ų | 61.2 | 54% | 0.539 | 33% | 0.331 | S | S | . | . | trans | -52.7 | 136.8 | 177 | -27.6 | 35.1 | 0 | 0 | 0 | 113.4 | G170 W171 | P168-G170 PolarHBondContact O-N 3.39Å; P168-W171 VanDerWaalsContact O-CD1 3.27Å; P168-W171 PolarHBondContact O-N 3.45Å | ||
| 169 | T | 86.9 | Confident | 94.4 | Very high | 67 Ų | 67 | 58.1 Ų | 58.1 | 41% | 0.411 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -22.7 | -169.7 | 50 | 0 | 0 | 0 | 0 | 114.5 | E60 A167 W171 K172 | E60-T169 WeakPolarHBondContact OE1-CG2 3.07Å; A167-T169 PolarHBondContact O-N 3.4Å; T169-W171 PolarHBondContact O-N 2.95Å; T169-W171 VanDerWaalsContact O-N 3.08Å; T169-K172 PolarHBondContact O-N 2.91Å |
| 170 | G | 94.2 | Very high | 94.5 | Very high | 30 Ų | 30 | 55.3 Ų | 55.3 | 31% | 0.309 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -54.4 | -20.8 | 172 | 0 | 0 | 0 | 0 | 0 | 115.5 | P168 K172 N173 S174 | P168-G170 PolarHBondContact O-N 3.39Å; G170-K172 VanDerWaalsContact C-N 3.32Å; G170-K172 PolarHBondContact O-N 3.35Å; G170-N173 WeakPolarHBondContact O-CA 3.17Å; G170-N173 VanDerWaalsContact O-CB 3.31Å; G170-N173 WeakPolarHBondContact O-CB 3.43Å; G170-N173 PolarHBondContact O-N 3.3Å; G170-S174 PolarHBondContact O-N 2.94Å; G170-S174 PolarHBondContact O-OG 2.89Å |
| 171 | W | 96.2 | Very high | 94.6 | Very high | 19 Ų | 19 | 56.4 Ų | 56.4 | 7% | 0.072 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.6 | -37.3 | 179.4 | 79.7 | -105.7 | 0 | 0 | 0 | 113 | F132 Y154 I157 L158 F164 P168 T169 N173 S174 V175 | F132-W171 HydrophobicContact CE1-CB 4.29Å; F132-W171 HydrophobicContact CZ-CB 4.22Å; Y154-W171 HydrophobicContact CD1-CH2 4.17Å; Y154-W171 AromaticContact CD1-CZ3 3.95Å; Y154-W171 HydrophobicContact CD1-CZ3 3.95Å; Y154-W171 HydrophobicContact CG-CH2 4.44Å; I157-W171 HydrophobicContact CB-CZ3 4.39Å; I157-W171 HydrophobicContact CD1-CZ3 4.41Å; I157-W171 HydrophobicContact CG2-CH2 4.21Å; I157-W171 HydrophobicContact CG2-CZ3 3.99Å; L158-W171 HydrophobicContact CD1-CZ2 4.36Å; L158-W171 HydrophobicContact CD2-CZ2 3.9Å; L158-W171 HydrophobicContact CG-CH2 4.18Å; L158-W171 HydrophobicContact CG-CZ2 4.01Å; F164-W171 HydrophobicContact CB-CD2 4.42Å; F164-W171 HydrophobicContact CB-CZ2 4.11Å; F164-W171 HydrophobicContact CD1-CB 4.13Å; F164-W171 AromaticContact CD1-CD2 3.86Å; F164-W171 HydrophobicContact CD1-CD2 3.86Å; F164-W171 HydrophobicContact CD1-CE3 4.25Å; F164-W171 AromaticContact CD1-CG 3.81Å; F164-W171 HydrophobicContact CD1-CG 3.81Å; F164-W171 HydrophobicContact CE1-CB 4.28Å; F164-W171 HydrophobicContact CE1-CG 4.44Å; F164-W171 HydrophobicContact CG-CD2 4.46Å; F164-W171 PolarHBondContact O-NE1 3.16Å; P168-W171 VanDerWaalsContact O-CD1 3.27Å; P168-W171 PolarHBondContact O-N 3.45Å; T169-W171 PolarHBondContact O-N 2.95Å; T169-W171 VanDerWaalsContact O-N 3.08Å; W171-N173 PolarHBondContact O-N 3.33Å; W171-S174 WeakPolarHBondContact O-CB 3.36Å; W171-S174 PolarHBondContact O-N 2.78Å; W171-S174 VanDerWaalsContact O-N 3.14Å; W171-V175 HydrophobicContact CE3-CG2 3.98Å; W171-V175 HydrophobicContact CZ3-CG2 4.12Å; W171-V175 PolarHBondContact O-N 3.05Å |
| 172 | K | 96.5 | Very high | 94.7 | Very high | 65 Ų | 65 | 57.3 Ų | 57.3 | 28% | 0.283 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.2 | -36.4 | 174 | -60.4 | 177.5 | -167.5 | 167.2 | 0 | 110.9 | E60 Y154 T169 G170 R176 | E60-K172 IonicContact OE2-NZ 2.68Å; E60-K172 PolarHBondContact OE2-NZ 3.28Å; Y154-K172 HydrophobicContact CD1-CG 4.48Å; Y154-K172 HydrophobicContact CE1-CB 3.92Å; Y154-K172 HydrophobicContact CE1-CG 4.34Å; T169-K172 PolarHBondContact O-N 2.91Å; G170-K172 VanDerWaalsContact C-N 3.32Å; G170-K172 PolarHBondContact O-N 3.35Å; K172-R176 WeakPolarHBondContact O-CG 3.38Å; K172-R176 PolarHBondContact O-N 3.28Å |
| 173 | N | 97.2 | Very high | 94.9 | Very high | 92 Ų | 92 | 62.2 Ų | 62.2 | 49% | 0.492 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -72 | -40.3 | 176.8 | -162.6 | 34.1 | 0 | 0 | 0 | 111.8 | G170 W171 V175 R176 H177 | G170-N173 WeakPolarHBondContact O-CA 3.17Å; G170-N173 VanDerWaalsContact O-CB 3.31Å; G170-N173 WeakPolarHBondContact O-CB 3.43Å; G170-N173 PolarHBondContact O-N 3.3Å; W171-N173 PolarHBondContact O-N 3.33Å; N173-V175 VanDerWaalsContact C-N 3.28Å; N173-V175 PolarHBondContact O-N 3.37Å; N173-R176 PolarHBondContact O-N 2.98Å; N173-R176 PolarHBondContact OD1-NH2 2.73Å; N173-H177 WeakPolarHBondContact O-CB 3.39Å; N173-H177 PolarHBondContact O-N 3.16Å |
| 174 | S | 97.7 | Very high | 95.1 | Very high | 42 Ų | 42 | 60.4 Ų | 60.4 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59 | -37.4 | 173.4 | -55.4 | 0 | 0 | 0 | 0 | 112.5 | G170 W171 N178 | G170-S174 PolarHBondContact O-N 2.94Å; G170-S174 PolarHBondContact O-OG 2.89Å; W171-S174 WeakPolarHBondContact O-CB 3.36Å; W171-S174 PolarHBondContact O-N 2.78Å; W171-S174 VanDerWaalsContact O-N 3.14Å; S174-N178 WeakPolarHBondContact O-CB 3.21Å; S174-N178 PolarHBondContact O-N 3.38Å; S174-N178 PolarHBondContact O-ND2 3.36Å |
| 175 | V | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63 | -51.1 | 173.2 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | F132 I136 I153 Y154 I157 W171 N173 H177 N178 L179 | F132-V175 HydrophobicContact CD1-CG2 3.72Å; F132-V175 HydrophobicContact CE1-CG2 4.15Å; I136-V175 HydrophobicContact CD1-CG1 4.17Å; I136-V175 HydrophobicContact CG1-CG1 4.15Å; I153-V175 HydrophobicContact CG2-CG1 4.04Å; Y154-V175 HydrophobicContact CD1-CG1 4.35Å; Y154-V175 HydrophobicContact CE1-CB 4.22Å; Y154-V175 HydrophobicContact CE1-CG1 4.07Å; I157-V175 HydrophobicContact CD1-CG2 4.11Å; W171-V175 HydrophobicContact CE3-CG2 3.98Å; W171-V175 HydrophobicContact CZ3-CG2 4.12Å; W171-V175 PolarHBondContact O-N 3.05Å; N173-V175 VanDerWaalsContact C-N 3.28Å; N173-V175 PolarHBondContact O-N 3.37Å; V175-H177 VanDerWaalsContact C-N 3.32Å; V175-H177 PolarHBondContact O-N 3.16Å; V175-N178 PolarHBondContact O-N 2.82Å; V175-N178 VanDerWaalsContact O-N 3.14Å; V175-L179 HydrophobicContact CG1-CD1 4.32Å; V175-L179 PolarHBondContact O-N 3.01Å |
| 176 | R | 97.6 | Very high | 95.4 | Very high | 93 Ų | 93 | 61 Ų | 61 | 35% | 0.351 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.7 | -43.4 | 177.4 | -67.8 | -173.5 | -60.1 | -103.3 | 16 | 112.6 | V150 Y154 K172 N173 L179 S180 | V150-R176 HydrophobicContact CG1-CG 4.18Å; Y154-R176 WeakPolarHBondContact OH-CD 3.48Å; Y154-R176 WeakPolarHBondContact OH-CG 3.42Å; Y154-R176 PolarHBondContact OH-NH1 2.9Å; K172-R176 WeakPolarHBondContact O-CG 3.38Å; K172-R176 PolarHBondContact O-N 3.28Å; N173-R176 PolarHBondContact O-N 2.98Å; N173-R176 PolarHBondContact OD1-NH2 2.73Å; R176-L179 PolarHBondContact O-N 3.38Å; R176-S180 PolarHBondContact O-N 3.14Å; R176-S180 PolarHBondContact O-OG 3.06Å |
| 177 | H | 97.8 | Very high | 95.7 | Very high | 103 Ų | 103 | 59.9 Ų | 59.9 | 48% | 0.477 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.8 | -40 | 176.3 | 175.1 | 70.6 | 0 | 0 | 0 | 112.3 | N173 V175 S180 L181 | N173-H177 WeakPolarHBondContact O-CB 3.39Å; N173-H177 PolarHBondContact O-N 3.16Å; V175-H177 VanDerWaalsContact C-N 3.32Å; V175-H177 PolarHBondContact O-N 3.16Å; H177-S180 PolarHBondContact O-N 3.37Å; H177-S180 PolarHBondContact O-OG 3.26Å; H177-L181 WeakPolarHBondContact O-CB 3.28Å; H177-L181 PolarHBondContact O-N 3.41Å |
| 178 | N | 98 | Very high | 95.9 | Very high | 29 Ų | 29 | 61 Ų | 61 | 16% | 0.155 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.7 | -33.8 | 177 | -86.9 | -90.6 | 0 | 0 | 0 | 112.8 | F132 S133 I136 S174 V175 N182 | F132-N178 HydrophobicContact CB-CB 4.2Å; S133-N178 PolarHBondContact OG-OD1 3.48Å; I136-N178 HydrophobicContact CD1-CB 3.72Å; S174-N178 WeakPolarHBondContact O-CB 3.21Å; S174-N178 PolarHBondContact O-N 3.38Å; S174-N178 PolarHBondContact O-ND2 3.36Å; V175-N178 PolarHBondContact O-N 2.82Å; V175-N178 VanDerWaalsContact O-N 3.14Å; N178-N182 WeakPolarHBondContact CA-ND2 3.38Å; N178-N182 WeakPolarHBondContact O-CB 3.48Å; N178-N182 PolarHBondContact O-N 2.95Å; N178-N182 VanDerWaalsContact O-N 3.13Å; N178-N182 PolarHBondContact O-ND2 2.83Å; N178-N182 PolarHBondContact OD1-ND2 2.96Å |
| 179 | L | 97.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 173.9 | -72.9 | 169.3 | 0 | 0 | 0 | 112.3 | I136 V150 I153 V175 R176 F185 W202 | I136-L179 HydrophobicContact CD1-CD2 4.27Å; I136-L179 HydrophobicContact CD1-CG 4.12Å; I136-L179 HydrophobicContact CG2-CD2 3.58Å; V150-L179 HydrophobicContact CG1-CD1 4.16Å; V150-L179 HydrophobicContact CG2-CD1 4.02Å; I153-L179 HydrophobicContact CD1-CD1 4.29Å; I153-L179 HydrophobicContact CD1-CD2 4.32Å; V175-L179 HydrophobicContact CG1-CD1 4.32Å; V175-L179 PolarHBondContact O-N 3.01Å; R176-L179 PolarHBondContact O-N 3.38Å; L179-F185 HydrophobicContact CD2-CB 4.13Å; L179-F185 HydrophobicContact CD2-CD2 4.27Å; L179-F185 HydrophobicContact CD2-CG 4.1Å; L179-W202 HydrophobicContact CB-CD2 4.1Å; L179-W202 HydrophobicContact CB-CE3 4.07Å; L179-W202 HydrophobicContact CB-CH2 3.97Å; L179-W202 HydrophobicContact CB-CZ2 4Å; L179-W202 HydrophobicContact CB-CZ3 4.01Å; L179-W202 HydrophobicContact CD1-CD2 4.28Å; L179-W202 HydrophobicContact CD1-CG 4.25Å; L179-W202 HydrophobicContact CD2-CB 4.1Å; L179-W202 HydrophobicContact CD2-CD2 3.86Å; L179-W202 HydrophobicContact CD2-CE3 3.99Å; L179-W202 HydrophobicContact CD2-CG 3.9Å; L179-W202 HydrophobicContact CG-CD2 4.31Å; L179-W202 WeakPolarHBondContact O-CZ3 3.37Å |
| 180 | S | 96.8 | Very high | 95.2 | Very high | 90 Ų | 90 | 63.3 Ų | 63.3 | 63% | 0.629 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -84.2 | -27.7 | -179.4 | 58.7 | 0 | 0 | 0 | 0 | 114.7 | R176 H177 | R176-S180 PolarHBondContact O-N 3.14Å; R176-S180 PolarHBondContact O-OG 3.06Å; H177-S180 PolarHBondContact O-N 3.37Å; H177-S180 PolarHBondContact O-OG 3.26Å |
| 181 | L | 96.4 | Very high | 94.4 | Very high | 105 Ų | 105 | 67.1 Ų | 67.1 | 55% | 0.55 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -83.3 | -41.6 | -179.5 | -177.1 | 149.1 | 0 | 0 | 0 | 113.2 | H177 K183 | H177-L181 WeakPolarHBondContact O-CB 3.28Å; H177-L181 PolarHBondContact O-N 3.41Å; L181-K183 PolarHBondContact O-N 3.13Å |
| 182 | N | 95.8 | Very high | 93.1 | Very high | 36 Ų | 36 | 77.1 Ų | 77.1 | 19% | 0.193 | 37% | 0.373 | C | S | . | . | trans | -85.5 | 116 | -173.1 | -65.4 | -88.8 | 0 | 0 | 0 | 110.9 | N178 C184 F185 | N178-N182 WeakPolarHBondContact CA-ND2 3.38Å; N178-N182 WeakPolarHBondContact O-CB 3.48Å; N178-N182 PolarHBondContact O-N 2.95Å; N178-N182 VanDerWaalsContact O-N 3.13Å; N178-N182 PolarHBondContact O-ND2 2.83Å; N178-N182 PolarHBondContact OD1-ND2 2.96Å; N182-C184 HydrophobicContact CB-CB 4.11Å; N182-C184 PolarHBondContact O-N 2.93Å; N182-F185 HydrophobicContact CB-CD2 3.96Å; N182-F185 HydrophobicContact CB-CE2 4.11Å; N182-F185 PolarHBondContact O-N 3.28Å | ||
| 183 | K | 96.6 | Very high | 91.6 | Very high | 161 Ų | 161 | 79 Ų | 79 | 70% | 0.7 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -15.3 | 169.5 | -60.2 | -173.9 | 178.3 | -174.4 | 0 | 114.6 | L181 F185 Y208 | L181-K183 PolarHBondContact O-N 3.13Å; K183-F185 PolarHBondContact O-N 3.4Å; K183-Y208 HydrophobicContact CB-CD2 4.13Å; K183-Y208 HydrophobicContact CB-CE2 3.64Å; K183-Y208 WeakPolarHBondContact O-CD2 3.49Å |
| 184 | C | 97.3 | Very high | 90.1 | Very high | 23 Ų | 23 | 81 Ų | 81 | 16% | 0.155 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -25.6 | 170 | -69.9 | 0 | 0 | 0 | 0 | 114.1 | N182 D205 L212 | N182-C184 HydrophobicContact CB-CB 4.11Å; N182-C184 PolarHBondContact O-N 2.93Å; C184-D205 PolarHBondContact O-N 3.14Å; C184-L212 HydrophobicContact CB-CD1 3.93Å; C184-L212 HydrophobicContact CB-CD2 4.11Å; C184-L212 HydrophobicContact CB-CG 4.38Å |
| 185 | F | 97.8 | Very high | 88.2 | Confident | 10 Ų | 10 | 82.3 Ų | 82.3 | 4% | 0.044 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 137.8 | 179.4 | -49.9 | -60.6 | 0 | 0 | 0 | 109.9 | S133 I136 F137 I140 L179 N182 K183 W202 S203 I204 L212 | S133-F185 WeakPolarHBondContact O-CZ 3.47Å; I136-F185 HydrophobicContact CB-CE1 4.16Å; I136-F185 HydrophobicContact CB-CE2 4.18Å; I136-F185 HydrophobicContact CB-CZ 3.79Å; I136-F185 HydrophobicContact CD1-CE2 4.22Å; I136-F185 HydrophobicContact CG2-CD1 3.79Å; I136-F185 HydrophobicContact CG2-CD2 4.18Å; I136-F185 HydrophobicContact CG2-CE1 3.48Å; I136-F185 VanDerWaalsContact CG2-CE1 3.48Å; I136-F185 HydrophobicContact CG2-CE2 3.89Å; I136-F185 HydrophobicContact CG2-CG 4.14Å; I136-F185 HydrophobicContact CG2-CZ 3.54Å; F137-F185 HydrophobicContact CB-CE1 4.44Å; I140-F185 HydrophobicContact CD1-CD1 4.2Å; L179-F185 HydrophobicContact CD2-CB 4.13Å; L179-F185 HydrophobicContact CD2-CD2 4.27Å; L179-F185 HydrophobicContact CD2-CG 4.1Å; N182-F185 HydrophobicContact CB-CD2 3.96Å; N182-F185 HydrophobicContact CB-CE2 4.11Å; N182-F185 PolarHBondContact O-N 3.28Å; K183-F185 PolarHBondContact O-N 3.4Å; F185-W202 HydrophobicContact CB-CE3 4.13Å; F185-S203 WeakPolarHBondContact CA-O 3.31Å; F185-I204 HydrophobicContact CD1-CG1 4.43Å; F185-I204 HydrophobicContact CE1-CG1 4.34Å; F185-L212 HydrophobicContact CE1-CD1 4.33Å |
| 186 | K | 96.7 | Very high | 86.5 | Confident | 84 Ų | 84 | 90.4 Ų | 90.4 | 37% | 0.365 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 135.4 | 173.2 | 59.7 | -175.8 | 166 | -160.6 | 0 | 110.8 | V188 W202 S203 D205 | K186-V188 PolarHBondContact O-N 3.13Å; K186-W202 WeakPolarHBondContact O-CA 3.43Å; K186-S203 WeakPolarHBondContact CG-OG 3.46Å; K186-S203 PolarHBondContact N-O 3.24Å; K186-S203 PolarHBondContact O-N 3.3Å; K186-D205 HydrophobicContact CD-CB 4.48Å; K186-D205 WeakPolarHBondContact CD-OD2 3.36Å; K186-D205 VanDerWaalsContact CE-OD2 3.29Å; K186-D205 WeakPolarHBondContact CE-OD2 3.26Å; K186-D205 IonicContact NZ-OD2 2.81Å; K186-D205 PolarHBondContact NZ-OD2 3.23Å |
| 187 | K | 96.2 | Very high | 85 | Confident | 109 Ų | 109 | 88 Ų | 88 | 47% | 0.474 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 130.5 | 164.8 | 167.5 | 171.3 | 162 | 165.5 | 0 | 108.2 | D189 S200 L201 W202 | K187-D189 WeakPolarHBondContact CE-OD1 3.12Å; K187-D189 IonicContact NZ-OD1 3.17Å; K187-S200 VanDerWaalsContact CE-OG 3.26Å; K187-S200 WeakPolarHBondContact CE-OG 3.11Å; K187-S200 PolarHBondContact NZ-OG 3.35Å; K187-L201 CarbonylContact C-O 3.27Å; K187-L201 WeakPolarHBondContact CA-O 3.2Å; K187-W202 HydrophobicContact CB-CE3 4.35Å; K187-W202 HydrophobicContact CB-CH2 4.24Å; K187-W202 HydrophobicContact CB-CZ2 4.46Å; K187-W202 HydrophobicContact CB-CZ3 4.17Å |
| 188 | V | 92.4 | Very high | 83.9 | Confident | 38 Ų | 38 | 92 Ų | 92 | 23% | 0.23 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 123.2 | 173.1 | -176.8 | 0 | 0 | 0 | 0 | 107.1 | K186 L201 S203 | K186-V188 PolarHBondContact O-N 3.13Å; V188-L201 HydrophobicContact CB-CB 4.23Å; V188-L201 PolarHBondContact N-O 3.34Å; V188-S203 WeakPolarHBondContact CG2-OG 3.43Å |
| 189 | D | 85.3 | Confident | 83.2 | Confident | 127 Ų | 127 | 93 Ų | 93 | 68% | 0.679 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 136.5 | 173.7 | -68.4 | -47.4 | 0 | 0 | 0 | 110.1 | K187 | K187-D189 WeakPolarHBondContact CE-OD1 3.12Å; K187-D189 IonicContact NZ-OD1 3.17Å |
| 190 | K | 78.4 | Confident | 82.9 | Confident | 71 Ų | 71 | 94.9 Ų | 94.9 | 31% | 0.309 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -82.1 | 131.3 | -177 | -163.9 | 168.3 | -175.7 | 170.6 | 0 | 107.6 | R192 Q194 G197 | K190-R192 PolarHBondContact O-N 3.39Å; K190-Q194 WeakPolarHBondContact CE-O 3.45Å; K190-G197 PolarHBondContact NZ-O 3.46Å |
| 191 | D | 77.6 | Confident | 82.8 | Confident | 110 Ų | 110 | 91.7 Ų | 91.7 | 59% | 0.588 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 131.7 | 175 | -169.3 | -27.7 | 0 | 0 | 0 | 109.1 | S193 Q194 S195 | D191-S193 PolarHBondContact O-N 3.03Å; D191-S193 VanDerWaalsContact O-N 3.15Å; D191-S193 PolarHBondContact OD1-N 3.08Å; D191-Q194 PolarHBondContact O-N 3.06Å; D191-S195 PolarHBondContact O-N 3.01Å |
| 192 | R | 67.1 | Low | 82.8 | Confident | 229 Ų | 229 | 88.7 Ų | 88.7 | 86% | 0.864 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.9 | -178.8 | -168.6 | 179.6 | -66.5 | -175.3 | -0 | 111.6 | K190 S195 | K190-R192 PolarHBondContact O-N 3.39Å; R192-S195 PolarHBondContact O-OG 2.76Å |
| 193 | S | 66.8 | Low | 82.9 | Confident | 106 Ų | 106 | 87.7 Ų | 87.7 | 74% | 0.741 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -20.3 | 174.1 | -168.2 | 0 | 0 | 0 | 0 | 113.9 | D191 | D191-S193 PolarHBondContact O-N 3.03Å; D191-S193 VanDerWaalsContact O-N 3.15Å; D191-S193 PolarHBondContact OD1-N 3.08Å |
| 194 | Q | 64.3 | Low | 83 | Confident | 134 Ų | 134 | 80.6 Ų | 80.6 | 63% | 0.626 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -114.3 | 10.4 | -178.9 | -78 | -169 | -19.5 | 0 | 0 | 114.3 | K190 D191 I196 | K190-Q194 WeakPolarHBondContact CE-O 3.45Å; D191-Q194 PolarHBondContact O-N 3.06Å; Q194-I196 VanDerWaalsContact C-N 3.29Å; Q194-I196 PolarHBondContact O-N 3.38Å |
| 195 | S | 58 | Low | 83 | Confident | 68 Ų | 68 | 80.8 Ų | 80.8 | 48% | 0.476 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 49.4 | -169.4 | 66.3 | 0 | 0 | 0 | 0 | 115.5 | D191 R192 | D191-S195 PolarHBondContact O-N 3.01Å; R192-S195 PolarHBondContact O-OG 2.76Å |
| 196 | I | 63.4 | Low | 82.9 | Confident | 171 Ų | 171 | 84.8 Ų | 84.8 | 88% | 0.877 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -29.9 | 175.5 | -67.2 | 175.2 | 0 | 0 | 0 | 112.5 | Q194 | Q194-I196 VanDerWaalsContact C-N 3.29Å; Q194-I196 PolarHBondContact O-N 3.38Å |
| 197 | G | 65.5 | Low | 82.9 | Confident | 41 Ų | 41 | 88 Ų | 88 | 42% | 0.423 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -93.9 | 132.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | K190 | K190-G197 PolarHBondContact NZ-O 3.46Š|
| 198 | K | 74.2 | Confident | 82.9 | Confident | 187 Ų | 187 | 86.7 Ų | 86.7 | 81% | 0.813 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -52 | 129.4 | 174.3 | -174.9 | -179.2 | 178.4 | -174.5 | 0 | 111.7 | D58 | D58-K198 IonicContact OD2-NZ 2.64Å; D58-K198 PolarHBondContact OD2-NZ 3Å |
| 199 | G | 83.4 | Confident | 83.1 | Confident | 52 Ų | 52 | 88.7 Ų | 88.7 | 54% | 0.536 | 46% | 0.464 | S | S | . | . | S | Bend | trans | 104.6 | 159.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 200 | S | 91.1 | Very high | 83.6 | Confident | 41 Ų | 41 | 88 Ų | 88 | 29% | 0.287 | 46% | 0.457 | S | S | . | . | trans | -90.1 | 150.2 | 177.1 | -53.2 | 0 | 0 | 0 | 0 | 111.9 | K187 | K187-S200 VanDerWaalsContact CE-OG 3.26Å; K187-S200 WeakPolarHBondContact CE-OG 3.11Å; K187-S200 PolarHBondContact NZ-OG 3.35Å | ||
| 201 | L | 94.5 | Very high | 84.4 | Confident | 23 Ų | 23 | 88.7 Ų | 88.7 | 12% | 0.12 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 152.7 | 172.6 | -62.5 | 175.7 | 0 | 0 | 0 | 110.3 | R147 P149 K187 V188 | R147-L201 HydrophobicContact CG-CD1 4.27Å; P149-L201 HydrophobicContact CB-CD2 4.13Å; P149-L201 HydrophobicContact CG-CD2 4.37Å; K187-L201 CarbonylContact C-O 3.27Å; K187-L201 WeakPolarHBondContact CA-O 3.2Å; V188-L201 HydrophobicContact CB-CB 4.23Å; V188-L201 PolarHBondContact N-O 3.34Å |
| 202 | W | 97.1 | Very high | 85.3 | Confident | 41 Ų | 41 | 84 Ų | 84 | 16% | 0.155 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 139.8 | 174.1 | -68.7 | 89.5 | 0 | 0 | 0 | 109.7 | I140 R147 L148 L179 F185 K186 K187 | I140-W202 HydrophobicContact CD1-CB 4.14Å; R147-W202 CarbonylContact C-O 3.59Å; R147-W202 WeakPolarHBondContact CA-O 3.36Å; L148-W202 PolarHBondContact N-O 2.81Å; L148-W202 PolarHBondContact O-N 2.93Å; L179-W202 HydrophobicContact CB-CD2 4.1Å; L179-W202 HydrophobicContact CB-CE3 4.07Å; L179-W202 HydrophobicContact CB-CH2 3.97Å; L179-W202 HydrophobicContact CB-CZ2 4Å; L179-W202 HydrophobicContact CB-CZ3 4.01Å; L179-W202 HydrophobicContact CD1-CD2 4.28Å; L179-W202 HydrophobicContact CD1-CG 4.25Å; L179-W202 HydrophobicContact CD2-CB 4.1Å; L179-W202 HydrophobicContact CD2-CD2 3.86Å; L179-W202 HydrophobicContact CD2-CE3 3.99Å; L179-W202 HydrophobicContact CD2-CG 3.9Å; L179-W202 HydrophobicContact CG-CD2 4.31Å; L179-W202 WeakPolarHBondContact O-CZ3 3.37Å; F185-W202 HydrophobicContact CB-CE3 4.13Å; K186-W202 WeakPolarHBondContact O-CA 3.43Å; K187-W202 HydrophobicContact CB-CE3 4.35Å; K187-W202 HydrophobicContact CB-CH2 4.24Å; K187-W202 HydrophobicContact CB-CZ2 4.46Å; K187-W202 HydrophobicContact CB-CZ3 4.17Å |
| 203 | S | 97.4 | Very high | 86.6 | Confident | 15 Ų | 15 | 75.8 Ų | 75.8 | 11% | 0.105 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 160.1 | 174.2 | 66 | 0 | 0 | 0 | 0 | 110.8 | F185 K186 V188 | F185-S203 WeakPolarHBondContact CA-O 3.31Å; K186-S203 WeakPolarHBondContact CG-OG 3.46Å; K186-S203 PolarHBondContact N-O 3.24Å; K186-S203 PolarHBondContact O-N 3.3Å; V188-S203 WeakPolarHBondContact CG2-OG 3.43Å |
| 204 | I | 98.1 | Very high | 87.9 | Confident | 13 Ų | 13 | 74.6 Ų | 74.6 | 7% | 0.067 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 136.1 | 170.6 | -62.7 | 149.6 | 0 | 0 | 0 | 108.5 | F137 I140 E141 F185 R209 L212 | F137-I204 HydrophobicContact CD2-CD1 3.41Å; F137-I204 VanDerWaalsContact CD2-CD1 3.41Å; F137-I204 HydrophobicContact CD2-CG1 3.83Å; F137-I204 HydrophobicContact CD2-CG2 4.17Å; F137-I204 HydrophobicContact CE2-CD1 3.65Å; F137-I204 HydrophobicContact CE2-CG1 4.37Å; F137-I204 HydrophobicContact CE2-CG2 4.27Å; F137-I204 HydrophobicContact CG-CD1 4.24Å; I140-I204 HydrophobicContact CB-CD1 3.95Å; I140-I204 HydrophobicContact CB-CG1 4.1Å; I140-I204 HydrophobicContact CG2-CD1 3.75Å; I140-I204 HydrophobicContact CG2-CG1 3.78Å; E141-I204 HydrophobicContact CB-CD1 4.27Å; F185-I204 HydrophobicContact CD1-CG1 4.43Å; F185-I204 HydrophobicContact CE1-CG1 4.34Å; I204-R209 HydrophobicContact CG2-CB 3.96Å; I204-R209 HydrophobicContact CG2-CG 4.24Å; I204-L212 HydrophobicContact CG2-CD1 3.82Å |
| 205 | D | 97.3 | Very high | 89.2 | Confident | 26 Ų | 26 | 70 Ų | 70 | 14% | 0.139 | 38% | 0.378 | C | S | . | . | trans | -73.7 | 127.3 | 171.1 | -163.5 | -73.6 | 0 | 0 | 0 | 111.4 | C184 K186 E207 Y208 R209 | C184-D205 PolarHBondContact O-N 3.14Å; K186-D205 HydrophobicContact CD-CB 4.48Å; K186-D205 WeakPolarHBondContact CD-OD2 3.36Å; K186-D205 VanDerWaalsContact CE-OD2 3.29Å; K186-D205 WeakPolarHBondContact CE-OD2 3.26Å; K186-D205 IonicContact NZ-OD2 2.81Å; K186-D205 PolarHBondContact NZ-OD2 3.23Å; D205-E207 VanDerWaalsContact C-N 3.25Å; D205-E207 PolarHBondContact O-N 2.91Å; D205-E207 WeakPolarHBondContact OD1-CB 3.5Å; D205-E207 PolarHBondContact OD1-N 3.38Å; D205-Y208 HydrophobicContact CB-CD2 4.04Å; D205-Y208 PolarHBondContact O-N 3.03Å; D205-R209 WeakPolarHBondContact O-CB 3.44Å; D205-R209 PolarHBondContact O-N 3.28Å | ||
| 206 | P | 96.4 | Very high | 90.8 | Very high | 94 Ų | 94 | 68.3 Ų | 68.3 | 61% | 0.61 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -33.8 | 178.6 | -27.9 | 36.5 | 0 | 0 | 0 | 115 | R209 | P206-R209 WeakPolarHBondContact O-CB 3.39Š|
| 207 | E | 97.1 | Very high | 92.1 | Very high | 153 Ų | 153 | 68.2 Ų | 68.2 | 72% | 0.715 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -41.6 | -179.9 | -63.5 | -174 | -177.4 | 0 | 0 | 111.4 | D205 | D205-E207 VanDerWaalsContact C-N 3.25Å; D205-E207 PolarHBondContact O-N 2.91Å; D205-E207 WeakPolarHBondContact OD1-CB 3.5Å; D205-E207 PolarHBondContact OD1-N 3.38Å |
| 208 | Y | 96 | Very high | 93.1 | Very high | 80 Ų | 80 | 73.8 Ų | 73.8 | 31% | 0.314 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -14.7 | -177.4 | -61.3 | -60.4 | 0 | 0 | 0 | 113.7 | K183 D205 H210 N211 L212 | K183-Y208 HydrophobicContact CB-CD2 4.13Å; K183-Y208 HydrophobicContact CB-CE2 3.64Å; K183-Y208 WeakPolarHBondContact O-CD2 3.49Å; D205-Y208 HydrophobicContact CB-CD2 4.04Å; D205-Y208 PolarHBondContact O-N 3.03Å; Y208-H210 VanDerWaalsContact C-N 3.25Å; Y208-H210 PolarHBondContact O-N 3.18Å; Y208-H210 VanDerWaalsContact O-N 3.14Å; Y208-N211 WeakPolarHBondContact O-CB 3.45Å; Y208-N211 PolarHBondContact O-N 3.12Å; Y208-L212 PolarHBondContact O-N 3.06Å |
| 209 | R | 96.4 | Very high | 93.3 | Very high | 80 Ų | 80 | 67.2 Ų | 67.2 | 30% | 0.302 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -43.9 | -45.3 | 177.4 | -176.7 | -179.1 | -179.7 | 74 | 4.2 | 113.8 | F137 E141 I204 D205 P206 N211 L212 I213 | F137-R209 HydrophobicContact CE2-CG 4.37Å; E141-R209 IonicContact OE1-CZ 2.76Å; E141-R209 IonicContact OE1-NH1 3.12Å; E141-R209 IonicContact OE1-NH2 2.82Å; E141-R209 PolarHBondContact OE1-NH2 2.93Å; E141-R209 IonicContact OE2-CZ 2.63Å; E141-R209 IonicContact OE2-NH1 2.58Å; E141-R209 PolarHBondContact OE2-NH1 3.32Å; E141-R209 IonicContact OE2-NH2 2.87Å; E141-R209 PolarHBondContact OE2-NH2 3.34Å; I204-R209 HydrophobicContact CG2-CB 3.96Å; I204-R209 HydrophobicContact CG2-CG 4.24Å; D205-R209 WeakPolarHBondContact O-CB 3.44Å; D205-R209 PolarHBondContact O-N 3.28Å; P206-R209 WeakPolarHBondContact O-CB 3.39Å; R209-N211 VanDerWaalsContact C-N 3.31Å; R209-N211 PolarHBondContact O-N 3.16Å; R209-L212 PolarHBondContact O-N 3.24Å; R209-I213 HydrophobicContact CG-CD1 4.14Å; R209-I213 WeakPolarHBondContact O-CG1 3.38Å; R209-I213 PolarHBondContact O-N 3.22Å |
| 210 | H | 96.3 | Very high | 92.5 | Very high | 114 Ų | 114 | 68.5 Ų | 68.5 | 53% | 0.528 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.7 | -35.4 | -178.8 | -174.6 | 78 | 0 | 0 | 0 | 112.8 | Y208 L212 I213 Q214 | Y208-H210 VanDerWaalsContact C-N 3.25Å; Y208-H210 PolarHBondContact O-N 3.18Å; Y208-H210 VanDerWaalsContact O-N 3.14Å; H210-L212 VanDerWaalsContact C-N 3.35Å; H210-L212 PolarHBondContact O-N 3.13Å; H210-I213 PolarHBondContact O-N 3.29Å; H210-Q214 PolarHBondContact CD2-NE2 3.39Å; H210-Q214 VanDerWaalsContact CD2-NE2 3.33Å; H210-Q214 PolarHBondContact NE2-NE2 3.14Å; H210-Q214 PolarHBondContact O-N 3.17Å |
| 211 | N | 95.3 | Very high | 91.1 | Very high | 85 Ų | 85 | 71 Ų | 71 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.2 | -34.6 | -179.5 | -56.8 | -50 | 0 | 0 | 0 | 111.7 | Y208 R209 Q214 A215 | Y208-N211 WeakPolarHBondContact O-CB 3.45Å; Y208-N211 PolarHBondContact O-N 3.12Å; R209-N211 VanDerWaalsContact C-N 3.31Å; R209-N211 PolarHBondContact O-N 3.16Å; N211-Q214 PolarHBondContact O-N 3.22Å; N211-A215 WeakPolarHBondContact O-CB 3.34Å; N211-A215 PolarHBondContact O-N 3.03Å |
| 212 | L | 95.1 | Very high | 89.3 | Confident | 10 Ų | 10 | 75.5 Ų | 75.5 | 5% | 0.052 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.4 | -41.2 | 175 | -60.3 | 164.3 | 0 | 0 | 0 | 111 | F137 C184 F185 I204 Y208 R209 H210 Q214 A215 L216 | F137-L212 HydrophobicContact CB-CB 4.29Å; F137-L212 HydrophobicContact CB-CD1 4.25Å; F137-L212 HydrophobicContact CD1-CB 4.42Å; F137-L212 HydrophobicContact CD2-CB 3.48Å; F137-L212 VanDerWaalsContact CD2-CB 3.48Å; F137-L212 HydrophobicContact CD2-CD1 3.41Å; F137-L212 VanDerWaalsContact CD2-CD1 3.41Å; F137-L212 HydrophobicContact CD2-CG 4.03Å; F137-L212 HydrophobicContact CE2-CB 3.85Å; F137-L212 HydrophobicContact CE2-CD1 4.15Å; F137-L212 HydrophobicContact CG-CB 3.79Å; F137-L212 HydrophobicContact CG-CD1 4.14Å; F137-L212 HydrophobicContact CG-CG 4.47Å; F137-L212 HydrophobicContact CZ-CB 4.49Å; C184-L212 HydrophobicContact CB-CD1 3.93Å; C184-L212 HydrophobicContact CB-CD2 4.11Å; C184-L212 HydrophobicContact CB-CG 4.38Å; F185-L212 HydrophobicContact CE1-CD1 4.33Å; I204-L212 HydrophobicContact CG2-CD1 3.82Å; Y208-L212 PolarHBondContact O-N 3.06Å; R209-L212 PolarHBondContact O-N 3.24Å; H210-L212 VanDerWaalsContact C-N 3.35Å; H210-L212 PolarHBondContact O-N 3.13Å; L212-Q214 VanDerWaalsContact C-N 3.34Å; L212-Q214 PolarHBondContact O-N 2.97Å; L212-A215 WeakPolarHBondContact O-CB 3.39Å; L212-A215 PolarHBondContact O-N 3.36Å; L212-A215 VanDerWaalsContact O-N 3.16Å; L212-L216 PolarHBondContact O-N 3.5Å |
| 213 | I | 95.1 | Very high | 87.3 | Confident | 57 Ų | 57 | 76.7 Ų | 76.7 | 29% | 0.292 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 172.9 | -64.1 | 167 | 0 | 0 | 0 | 111 | F137 R209 H210 K217 | F137-I213 HydrophobicContact CE1-CG1 4.28Å; F137-I213 HydrophobicContact CE2-CG1 4.29Å; F137-I213 HydrophobicContact CZ-CD1 4.33Å; F137-I213 HydrophobicContact CZ-CG1 3.59Å; R209-I213 HydrophobicContact CG-CD1 4.14Å; R209-I213 WeakPolarHBondContact O-CG1 3.38Å; R209-I213 PolarHBondContact O-N 3.22Å; H210-I213 PolarHBondContact O-N 3.29Å; I213-K217 WeakPolarHBondContact O-CG 3.28Å; I213-K217 PolarHBondContact O-N 3.09Å; I213-K217 VanDerWaalsContact O-N 3.17Å |
| 214 | Q | 94.6 | Very high | 84.8 | Confident | 82 Ų | 82 | 83.6 Ų | 83.6 | 38% | 0.383 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65 | -38.1 | 172.4 | -73.3 | -166.6 | 16.4 | 0 | 0 | 112.8 | H210 N211 L212 K217 K218 | H210-Q214 PolarHBondContact CD2-NE2 3.39Å; H210-Q214 VanDerWaalsContact CD2-NE2 3.33Å; H210-Q214 PolarHBondContact NE2-NE2 3.14Å; H210-Q214 PolarHBondContact O-N 3.17Å; N211-Q214 PolarHBondContact O-N 3.22Å; L212-Q214 VanDerWaalsContact C-N 3.34Å; L212-Q214 PolarHBondContact O-N 2.97Å; Q214-K217 PolarHBondContact O-N 2.84Å; Q214-K218 WeakPolarHBondContact O-CG 3.43Å; Q214-K218 PolarHBondContact O-N 2.73Å |
| 215 | A | 91.9 | Very high | 82.1 | Confident | 36 Ų | 36 | 87 Ų | 87 | 30% | 0.298 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.3 | -49.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | N211 L212 K217 K218 T219 | N211-A215 WeakPolarHBondContact O-CB 3.34Å; N211-A215 PolarHBondContact O-N 3.03Å; L212-A215 WeakPolarHBondContact O-CB 3.39Å; L212-A215 PolarHBondContact O-N 3.36Å; L212-A215 VanDerWaalsContact O-N 3.16Å; A215-K217 VanDerWaalsContact C-N 3.3Å; A215-K217 PolarHBondContact O-N 3.19Å; A215-K218 WeakPolarHBondContact O-CB 3.43Å; A215-K218 PolarHBondContact O-N 3.14Å; A215-T219 PolarHBondContact O-N 3.49Å; A215-T219 PolarHBondContact O-OG1 3.45Å |
| 216 | L | 91.2 | Very high | 79.7 | Confident | 34 Ų | 34 | 90.8 Ų | 90.8 | 18% | 0.178 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -55.5 | -43.5 | 174.3 | -74.5 | 179.1 | 0 | 0 | 0 | 112.5 | Y130 C134 F137 M138 L212 K218 T219 | Y130-L216 HydrophobicContact CD1-CD2 3.84Å; Y130-L216 HydrophobicContact CE1-CD2 3.54Å; C134-L216 HydrophobicContact CB-CD2 3.74Å; F137-L216 HydrophobicContact CD1-CD1 3.56Å; F137-L216 HydrophobicContact CD1-CG 4.43Å; F137-L216 HydrophobicContact CE1-CD1 3.56Å; M138-L216 HydrophobicContact CE-CD2 4.3Å; M138-L216 HydrophobicContact CG-CD1 3.9Å; M138-L216 HydrophobicContact CG-CD2 4.07Å; M138-L216 HydrophobicContact SD-CD1 4.34Å; M138-L216 HydrophobicContact SD-CD2 3.73Å; L212-L216 PolarHBondContact O-N 3.5Å; L216-K218 PolarHBondContact O-N 3.42Å; L216-T219 CarbonylContact O-C 3.54Å; L216-T219 VanDerWaalsContact O-C 3.27Å; L216-T219 PolarHBondContact O-N 3.03Å; L216-T219 VanDerWaalsContact O-N 3.1Å; L216-T219 PolarHBondContact O-OG1 3.22Å |
| 217 | K | 89.6 | Confident | 77.2 | Confident | 168 Ų | 168 | 91.6 Ų | 91.6 | 73% | 0.73 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -66.2 | -19.8 | 178.2 | -75 | -176.3 | 176.5 | -169.2 | 0 | 114.2 | I213 Q214 A215 | I213-K217 WeakPolarHBondContact O-CG 3.28Å; I213-K217 PolarHBondContact O-N 3.09Å; I213-K217 VanDerWaalsContact O-N 3.17Å; Q214-K217 PolarHBondContact O-N 2.84Å; A215-K217 VanDerWaalsContact C-N 3.3Å; A215-K217 PolarHBondContact O-N 3.19Å |
| 218 | K | 87 | Confident | 74.6 | Confident | 158 Ų | 158 | 92.1 Ų | 92.1 | 69% | 0.687 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -85.3 | -17.5 | 173.7 | -72 | 170.3 | -179 | 173.5 | 0 | 112.9 | Q214 A215 L216 P220 | Q214-K218 WeakPolarHBondContact O-CG 3.43Å; Q214-K218 PolarHBondContact O-N 2.73Å; A215-K218 WeakPolarHBondContact O-CB 3.43Å; A215-K218 PolarHBondContact O-N 3.14Å; L216-K218 PolarHBondContact O-N 3.42Å; K218-P220 WeakPolarHBondContact O-CD 3.26Å |
| 219 | T | 78.2 | Confident | 72 | Confident | 49 Ų | 49 | 92.3 Ų | 92.3 | 30% | 0.301 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -119.5 | 68.5 | 176 | 58 | 0 | 0 | 0 | 0 | 110.2 | Y130 A215 L216 Y221 | Y130-T219 WeakPolarHBondContact CE1-O 3.4Å; A215-T219 PolarHBondContact O-N 3.49Å; A215-T219 PolarHBondContact O-OG1 3.45Å; L216-T219 CarbonylContact O-C 3.54Å; L216-T219 VanDerWaalsContact O-C 3.27Å; L216-T219 PolarHBondContact O-N 3.03Å; L216-T219 VanDerWaalsContact O-N 3.1Å; L216-T219 PolarHBondContact O-OG1 3.22Å; T219-Y221 PolarHBondContact O-N 3.31Å |
| 220 | P | 67.2 | Low | 69.3 | Low | 79 Ų | 79 | 94.5 Ų | 94.5 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | trans | -61.6 | 122.5 | 174.7 | 27.5 | -34.3 | 0 | 0 | 0 | 109.7 | K218 H222 | K218-P220 WeakPolarHBondContact O-CD 3.26Å; P220-H222 PolarHBondContact O-CD2 3.4Å; P220-H222 PolarHBondContact O-N 3.38Å | ||
| 221 | Y | 61.9 | Low | 66.7 | Low | 95 Ų | 95 | 94.7 Ų | 94.7 | 37% | 0.373 | 52% | 0.524 | S | S | . | . | trans | -77.1 | 108.4 | 177.3 | 175 | -118.3 | 0 | 0 | 0 | 109.7 | P129 Y130 T219 P223 | P129-Y221 HydrophobicContact CG-CD2 3.84Å; Y130-Y221 HydrophobicContact CE2-CD2 4.5Å; Y130-Y221 HydrophobicContact CE2-CG 4.24Å; Y130-Y221 WeakPolarHBondContact OH-CB 3.24Å; T219-Y221 PolarHBondContact O-N 3.31Å; Y221-P223 HydrophobicContact CD1-CG 4.41Å; Y221-P223 HydrophobicContact CE1-CB 3.81Å; Y221-P223 HydrophobicContact CE1-CG 4.04Å; Y221-P223 WeakPolarHBondContact O-CD 3.47Å | ||
| 222 | H | 56.3 | Low | 64.1 | Low | 117 Ų | 117 | 95.1 Ų | 95.1 | 54% | 0.542 | 53% | 0.534 | S | S | . | . | trans | -99.4 | 94.1 | 167.8 | -65.7 | -80 | 0 | 0 | 0 | 108.1 | P220 Y224 S225 | P220-H222 PolarHBondContact O-CD2 3.4Å; P220-H222 PolarHBondContact O-N 3.38Å; H222-Y224 PolarHBondContact O-N 3.27Å; H222-S225 PolarHBondContact O-N 2.91Å; H222-S225 PolarHBondContact O-OG 3.44Å | ||
| 223 | P | 54 | Low | 61.5 | Low | 65 Ų | 65 | 101.7 Ų | 101.7 | 42% | 0.422 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -57.5 | -30.2 | 174.5 | 21.8 | -31.4 | 0 | 0 | 0 | 111.2 | Y221 | Y221-P223 HydrophobicContact CD1-CG 4.41Å; Y221-P223 HydrophobicContact CE1-CB 3.81Å; Y221-P223 HydrophobicContact CE1-CG 4.04Å; Y221-P223 WeakPolarHBondContact O-CD 3.47Å |
| 224 | Y | 46.6 | Very low | 59 | Low | 161 Ų | 161 | 102.7 Ų | 102.7 | 63% | 0.631 | 59% | 0.586 | S | S | * | * | trans | -102.5 | 73.8 | 170.4 | -48.1 | -70.7 | 0 | 0 | 0 | 110 | L120 H222 P226 | L120-Y224 HydrophobicContact CD1-CE1 3.84Å; L120-Y224 WeakPolarHBondContact CD2-OH 3.48Å; L120-Y224 HydrophobicContact CG-CE1 4.02Å; H222-Y224 PolarHBondContact O-N 3.27Å; Y224-P226 WeakPolarHBondContact O-CD 3.17Å | ||
| 225 | S | 41.6 | Very low | 56.9 | Low | 83 Ų | 83 | 104.3 Ų | 104.3 | 58% | 0.58 | 60% | 0.604 | S | S | * | * | trans | -104.7 | 91 | 162.4 | 36.3 | 0 | 0 | 0 | 0 | 108.5 | H222 S227 | H222-S225 PolarHBondContact O-N 2.91Å; H222-S225 PolarHBondContact O-OG 3.44Å; S225-S227 PolarHBondContact O-N 3.13Å | ||
| 226 | P | 46.8 | Very low | 54.6 | Low | 106 Ų | 106 | 108.8 Ų | 108.8 | 69% | 0.688 | 63% | 0.63 | S | S | * | * | trans | -56.9 | 142.6 | 166.3 | 26.9 | -34 | 0 | 0 | 0 | 108 | Y224 L228 | Y224-P226 WeakPolarHBondContact O-CD 3.17Å; P226-L228 VanDerWaalsContact C-N 3.3Å; P226-L228 PolarHBondContact O-N 3.31Å | ||
| 227 | S | 42.3 | Very low | 52.3 | Low | 112 Ų | 112 | 112.7 Ų | 112.7 | 78% | 0.783 | 66% | 0.66 | S | S | * | * | trans | -68.3 | 85.6 | -172.5 | 179.6 | 0 | 0 | 0 | 0 | 111.4 | S225 A229 | S225-S227 PolarHBondContact O-N 3.13Å; S227-A229 PolarHBondContact O-N 3.19Å | ||
| 228 | L | 44 | Very low | 50 | Low | 163 Ų | 163 | 112.5 Ų | 112.5 | 85% | 0.853 | 67% | 0.666 | S | S | * | * | trans | -56.9 | 109.8 | 164 | -70.1 | -179.6 | 0 | 0 | 0 | 107.4 | P226 T230 | P226-L228 VanDerWaalsContact C-N 3.3Å; P226-L228 PolarHBondContact O-N 3.31Å; L228-T230 PolarHBondContact O-N 3.45Å | ||
| 229 | A | 41.1 | Very low | 48.2 | Very low | 85 Ų | 85 | 110.2 Ų | 110.2 | 70% | 0.702 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 134.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | S227 P231 | S227-A229 PolarHBondContact O-N 3.19Å; A229-P231 VanDerWaalsContact O-N 3.16Å |
| 230 | T | 39.9 | Very low | 46.3 | Very low | 126 Ų | 126 | 116.6 Ų | 116.6 | 77% | 0.773 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 123 | 172.4 | 48.4 | 0 | 0 | 0 | 0 | 108.7 | L228 S232 | L228-T230 PolarHBondContact O-N 3.45Å; T230-S232 PolarHBondContact O-N 3.1Å |
| 231 | P | 41.3 | Very low | 45 | Very low | 118 Ų | 118 | 117.9 Ų | 117.9 | 77% | 0.766 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 118.4 | 176.3 | 24.3 | -32.6 | 0 | 0 | 0 | 108.1 | A229 T233 | A229-P231 VanDerWaalsContact O-N 3.16Å; P231-T233 PolarHBondContact O-N 3.38Å |
| 232 | S | 39.8 | Very low | 43.9 | Very low | 94 Ų | 94 | 121.8 Ų | 121.8 | 66% | 0.657 | 72% | 0.72 | S | S | * | * | trans | -66.1 | 108.7 | -176.6 | -179.4 | 0 | 0 | 0 | 0 | 109.3 | T230 S234 | T230-S232 PolarHBondContact O-N 3.1Å; S232-S234 PolarHBondContact O-N 3.5Å; S232-S234 PolarHBondContact OG-OG 3.26Å | ||
| 233 | T | 41.2 | Very low | 43 | Very low | 147 Ų | 147 | 123 Ų | 123 | 90% | 0.902 | 73% | 0.725 | S | S | * | * | trans | -74.2 | 64.8 | 173.5 | -51.9 | 0 | 0 | 0 | 0 | 110.1 | P231 | P231-T233 PolarHBondContact O-N 3.38Š| ||
| 234 | S | 42.5 | Very low | 42.2 | Very low | 78 Ų | 78 | 127.6 Ų | 127.6 | 55% | 0.545 | 74% | 0.741 | S | S | . | * | trans | -116.9 | 111.1 | 167 | 44.5 | 0 | 0 | 0 | 0 | 106.8 | S232 | S232-S234 PolarHBondContact O-N 3.5Å; S232-S234 PolarHBondContact OG-OG 3.26Å | ||
| 235 | P | 51.1 | Low | 41.8 | Very low | 116 Ų | 116 | 125.1 Ų | 125.1 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | trans | -68.8 | 133.3 | -174.1 | 27.2 | -33.5 | 0 | 0 | 0 | 110.4 | S237 | P235-S237 PolarHBondContact O-N 3.1Å; P235-S237 VanDerWaalsContact O-N 3.16Å | ||
| 236 | P | 43.8 | Very low | 42.2 | Very low | 131 Ų | 131 | 126.8 Ų | 126.8 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | trans | -69.9 | 113.5 | 179.5 | 27.8 | -33.7 | 0 | 0 | 0 | 110.6 | L238 | P236-L238 PolarHBondContact O-N 2.85Š| ||
| 237 | S | 43 | Very low | 42.3 | Very low | 115 Ų | 115 | 127 Ų | 127 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | -81.1 | 102.8 | 174.1 | 57.2 | 0 | 0 | 0 | 0 | 111 | P235 | P235-S237 PolarHBondContact O-N 3.1Å; P235-S237 VanDerWaalsContact O-N 3.16Å | ||
| 238 | L | 39.4 | Very low | 42.4 | Very low | 165 Ų | 165 | 129.9 Ų | 129.9 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | trans | -130.1 | 142.6 | 161.2 | -126 | 88.2 | 0 | 0 | 0 | 109.4 | P236 | P236-L238 PolarHBondContact O-N 2.85Š| ||
| 239 | P | 51.1 | Low | 42.2 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | trans | -87.6 | 141.7 | -172.5 | 34.1 | -32.4 | 0 | 0 | 0 | 111.6 | ||||
| 240 | Q | 36.8 | Very low | 42 | Very low | 182 Ų | 182 | 135.5 Ų | 135.5 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | -140.1 | 153.1 | 150 | -89.3 | -52.9 | -17.9 | 0 | 0 | 112.2 | ||||
| 241 | T | 39.7 | Very low | 42 | Very low | 106 Ų | 106 | 132.6 Ų | 132.6 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | trans | -107 | 145.5 | -173.4 | 53 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 242 | F | 39.7 | Very low | 41.8 | Very low | 177 Ų | 177 | 132.7 Ų | 132.7 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | 73.4 | 140.7 | 154.1 | -74.7 | -62.4 | 0 | 0 | 0 | 122.7 | ||||
| 243 | H | 37 | Very low | 42.3 | Very low | 143 Ų | 143 | 134 Ų | 134 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | trans | 76.1 | 93.6 | 150.6 | -66 | -51.5 | 0 | 0 | 0 | 122.8 | ||||
| 244 | H | 37.1 | Very low | 42.5 | Very low | 161 Ų | 161 | 135 Ų | 135 | 75% | 0.745 | 78% | 0.777 | S | S | * | * | trans | 83.5 | 135.2 | 130.2 | -63.6 | -59.2 | 0 | 0 | 0 | 123.4 | ||||
| 245 | S | 38.1 | Very low | 42.5 | Very low | 109 Ų | 109 | 141 Ų | 141 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | 76.9 | 109.1 | 152.7 | -59.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 246 | P | 50.6 | Low | 42.1 | Very low | 119 Ų | 119 | 146.8 Ų | 146.8 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -90 | 146.8 | 164.5 | 35.8 | -31.9 | 0 | 0 | 0 | 112.3 | ||
| 247 | P | 49.3 | Very low | 41.9 | Very low | 109 Ų | 109 | 150.4 Ų | 150.4 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 139.9 | 171.1 | 31.5 | -33.3 | 0 | 0 | 0 | 111.9 | W249 | P247-W249 PolarHBondContact O-N 2.93Š|
| 248 | L | 43.2 | Very low | 41.6 | Very low | 173 Ų | 173 | 152.5 Ų | 152.5 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 131.8 | 170.3 | -105.2 | 72.6 | 0 | 0 | 0 | 110.9 | ||
| 249 | W | 40.3 | Very low | 41.4 | Very low | 243 Ų | 243 | 148.4 Ų | 148.4 | 92% | 0.92 | 80% | 0.803 | S | S | * | * | trans | -109.1 | 131.2 | 155.2 | -85.3 | 72.4 | 0 | 0 | 0 | 109.4 | P247 | P247-W249 PolarHBondContact O-N 2.93Š| ||
| 250 | S | 37.8 | Very low | 40.6 | Very low | 124 Ų | 124 | 147.1 Ų | 147.1 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | -92 | 145.5 | -175.3 | -173.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 251 | G | 39.1 | Very low | 40.5 | Very low | 64 Ų | 64 | 145 Ų | 145 | 66% | 0.66 | 81% | 0.809 | S | S | * | * | trans | 100.7 | 71.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 252 | S | 37.6 | Very low | 40.2 | Very low | 121 Ų | 121 | 147 Ų | 147 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | -159.2 | 110.4 | 144.3 | -85.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 253 | P | 49.8 | Very low | 40.3 | Very low | 122 Ų | 122 | 145.8 Ų | 145.8 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | trans | -87.5 | 115.6 | 174.4 | 32.6 | -29.2 | 0 | 0 | 0 | 110.3 | ||||
| 254 | L | 46.4 | Very low | 40.1 | Very low | 166 Ų | 166 | 146.6 Ų | 146.6 | 87% | 0.869 | 82% | 0.82 | S | S | * | * | trans | -179.3 | 95.4 | 152.1 | -103.9 | 164.5 | 0 | 0 | 0 | 111.2 | ||||
| 255 | F | 41.8 | Very low | 40 | Very low | 206 Ų | 206 | 144.9 Ų | 144.9 | 90% | 0.904 | 82% | 0.82 | S | S | * | * | trans | -169.2 | 109.4 | 132.4 | -114.5 | -72.3 | 0 | 0 | 0 | 110.1 | ||||
| 256 | R | 42.2 | Very low | 40.5 | Very low | 236 Ų | 236 | 144.2 Ų | 144.2 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | trans | -77.1 | 131.1 | 161.6 | -85.9 | -173.8 | 170.7 | -166.5 | -1.9 | 108.3 | ||||
| 257 | K | 40.1 | Very low | 39.8 | Very low | 208 Ų | 208 | 150.5 Ų | 150.5 | 90% | 0.904 | 82% | 0.822 | S | S | * | * | trans | -121.8 | 142.5 | 157.4 | -161.9 | 173.5 | -179.1 | 178.6 | 0 | 108.1 | ||||
| 258 | N | 36.1 | Very low | 39.1 | Very low | 158 Ų | 158 | 148.5 Ų | 148.5 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | -84.6 | 142.3 | -159.3 | -55.9 | -22 | 0 | 0 | 0 | 113.1 | ||||
| 259 | G | 36.7 | Very low | 38.8 | Very low | 79 Ų | 79 | 146.3 Ų | 146.3 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | trans | 160.2 | 145 | 164 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 260 | G | 34.1 | Very low | 38.6 | Very low | 83 Ų | 83 | 141.5 Ų | 141.5 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | 89.5 | 101.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 261 | V | 34.2 | Very low | 38.5 | Very low | 138 Ų | 138 | 142.9 Ų | 142.9 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | trans | -89.1 | 137.6 | 166.5 | 170.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 262 | L | 33.8 | Very low | 38.2 | Very low | 149 Ų | 149 | 146.6 Ų | 146.6 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | trans | -174.2 | 145.9 | 135.7 | -104.1 | 164.4 | 0 | 0 | 0 | 112.9 | ||||
| 263 | L | 40.9 | Very low | 38.1 | Very low | 150 Ų | 150 | 144.6 Ų | 144.6 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | 60.3 | 144.4 | 163.6 | -58.3 | 170.6 | 0 | 0 | 0 | 119.5 | ||||
| 264 | Q | 32.8 | Very low | 37.3 | Very low | 160 Ų | 160 | 143.3 Ų | 143.3 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | -178.6 | 137.6 | -56.1 | 159 | 162.4 | -23.3 | 0 | 0 | 108.4 | |||||
| 265 | V | 35.9 | Very low | 37.2 | Very low | 125 Ų | 125 | 147 Ų | 147 | 76% | 0.758 | 80% | 0.803 | S | S | * | * | trans | 71.5 | 145.9 | 161.5 | 139.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 266 | P | 48.3 | Very low | 36.9 | Very low | 95 Ų | 95 | 143.6 Ų | 143.6 | 62% | 0.617 | 80% | 0.799 | S | S | * | * | cis | -141 | 173.2 | -23.2 | 42.1 | -25.8 | 0 | 0 | 0 | 116.7 | ||||
| 267 | R | 34.8 | Very low | 36.6 | Very low | 251 Ų | 251 | 143.5 Ų | 143.5 | 95% | 0.947 | 80% | 0.799 | S | S | * | * | trans | 47.5 | 147.3 | 137.6 | -74.9 | 173.6 | 165.2 | 172.6 | -5.7 | 122.9 | ||||
| 268 | G | 35.7 | Very low | 36.5 | Very low | 67 Ų | 67 | 139 Ų | 139 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | trans | 110.6 | 84.7 | 146.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 269 | V | 36.1 | Very low | 36.6 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | 76.2 | 95.2 | 71.1 | 179.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 270 | I | 37.4 | Very low | 36.2 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 73% | 0.728 | 79% | 0.792 | S | S | * | * | trans | 26.5 | 124.7 | 136.6 | -16.1 | 168.2 | 0 | 0 | 0 | 118.9 | ||||
| 271 | Q | 35 | Very low | 36.6 | Very low | 152 Ų | 152 | 144.5 Ų | 144.5 | 71% | 0.71 | 79% | 0.79 | S | S | * | * | 171 | 136.9 | 105.5 | -95 | 179.5 | 89.5 | 0 | 0 | 117 | |||||
| 272 | N | 33.3 | Very low | 36.8 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | 59.9 | 157 | 139.6 | -50.2 | -14.3 | 0 | 0 | 0 | 121.4 | ||||
| 273 | G | 34.8 | Very low | 37.6 | Very low | 79 Ų | 79 | 145 Ų | 145 | 81% | 0.814 | 79% | 0.788 | S | S | * | * | trans | 159.8 | 81 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 274 | A | 33.2 | Very low | 37.2 | Very low | 95 Ų | 95 | 143.3 Ų | 143.3 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -84.6 | 140.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 275 | R | 43.7 | Very low | 37.7 | Very low | 242 Ų | 242 | 143.7 Ų | 143.7 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | trans | 2.9 | 115.2 | 151.3 | 176 | -173.2 | -85.7 | -173.8 | -7.1 | 116.3 | ||||
| 276 | V | 36 | Very low | 38.1 | Very low | 136 Ų | 136 | 149 Ų | 149 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -123.7 | 143.7 | 160.6 | 173.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 277 | R | 36.7 | Very low | 38.1 | Very low | 233 Ų | 233 | 150 Ų | 150 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | -92.3 | 146.6 | 172.4 | -81.3 | 171.4 | 150.9 | 176.5 | -7.5 | 110.5 | ||||
| 278 | S | 36.2 | Very low | 38.2 | Very low | 115 Ų | 115 | 145.9 Ų | 145.9 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | -175.1 | 169.2 | 126.4 | 45.4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 279 | Q | 38.4 | Very low | 38.8 | Very low | 186 Ų | 186 | 148.4 Ų | 148.4 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | -96.2 | 150.9 | -178.3 | -46.5 | 109.8 | -77.7 | 0 | 0 | 112.2 | ||||
| 280 | A | 29.2 | Very low | 39.1 | Very low | 89 Ų | 89 | 148.4 Ų | 148.4 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | trans | -177.3 | 126.6 | 136.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 281 | L | 41.7 | Very low | 39.2 | Very low | 159 Ų | 159 | 146.7 Ų | 146.7 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | 62.4 | 161.3 | 135.9 | -60.6 | 170.9 | 0 | 0 | 0 | 122.8 | ||||
| 282 | F | 38.8 | Very low | 40 | Very low | 175 Ų | 175 | 144.5 Ų | 144.5 | 77% | 0.768 | 80% | 0.802 | S | S | * | * | trans | -80.8 | 166.2 | -163.8 | -53.6 | -92.9 | 0 | 0 | 0 | 115 | V284 | F282-V284 HydrophobicContact CB-CG2 4.14Š| ||
| 283 | P | 50.2 | Low | 40.2 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | -119.6 | 149.4 | 85 | 36.8 | -34 | 0 | 0 | 0 | 112.4 | |||||
| 284 | V | 32.8 | Very low | 40.2 | Very low | 115 Ų | 115 | 144.3 Ų | 144.3 | 70% | 0.697 | 80% | 0.803 | S | S | * | * | cis | 72.9 | 97.6 | 46.9 | -177.8 | 0 | 0 | 0 | 0 | 113.9 | F282 | F282-V284 HydrophobicContact CB-CG2 4.14Š| ||
| 285 | I | 43.3 | Very low | 40.4 | Very low | 169 Ų | 169 | 145.4 Ų | 145.4 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | trans | -158.6 | 159.4 | 139.7 | -99.6 | 153.4 | 0 | 0 | 0 | 107.6 | ||||
| 286 | R | 44.2 | Very low | 40.2 | Very low | 236 Ų | 236 | 145.7 Ų | 145.7 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | trans | -101.6 | 143.4 | -153.9 | -53.5 | 172.1 | -177.2 | 126.4 | -2.9 | 114.6 | ||||
| 287 | P | 48.4 | Very low | 40.4 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -116.1 | 118.9 | 161.7 | 35.2 | -23.4 | 0 | 0 | 0 | 112.9 | ||||
| 288 | L | 37.8 | Very low | 40.3 | Very low | 164 Ų | 164 | 139.5 Ų | 139.5 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | trans | -164.8 | 163.3 | 169.2 | -85.8 | -167.8 | 0 | 0 | 0 | 110 | ||||
| 289 | P | 47.4 | Very low | 40.2 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | cis | -120.7 | -173 | -9.1 | 36.7 | -20 | 0 | 0 | 0 | 113.3 | ||||
| 290 | V | 42 | Very low | 40.3 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | trans | -123.5 | 161.2 | -173.3 | -151.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 291 | S | 39.7 | Very low | 40.5 | Very low | 106 Ų | 106 | 144.5 Ų | 144.5 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | trans | 81.1 | 169.1 | 143.9 | 84.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 292 | P | 52.7 | Low | 40.3 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 69% | 0.688 | 80% | 0.802 | S | S | * | * | cis | -139.7 | -178.3 | 6.3 | 44.4 | -27.5 | 0 | 0 | 0 | 117.6 | ||||
| 293 | V | 36.4 | Very low | 40 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | 70.8 | 137.1 | 155.3 | 161.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 294 | G | 35.2 | Very low | 39.3 | Very low | 67 Ų | 67 | 141.3 Ų | 141.3 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | cis | -175.8 | -179.7 | -3.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 295 | S | 37.4 | Very low | 39.4 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -71.8 | 153.7 | -166.6 | -40.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 296 | R | 39.7 | Very low | 38.9 | Very low | 248 Ų | 248 | 137.3 Ų | 137.3 | 94% | 0.936 | 80% | 0.795 | S | S | * | * | trans | -155.2 | 149.4 | 135.7 | -111.4 | 159.4 | -168.4 | -154.3 | -0.7 | 112.9 | ||||
| 297 | T | 39.9 | Very low | 38.4 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -121.1 | -168.4 | -176.8 | 48.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 298 | S | 34.6 | Very low | 37.8 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | 89.2 | 127.1 | 177.9 | -48.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 299 | A | 35.2 | Very low | 37.7 | Very low | 95 Ų | 95 | 136.9 Ų | 136.9 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | cis | 102.1 | 112.7 | 16.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 300 | I | 40 | Very low | 36.9 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | 30 | 120.7 | 147 | -52.2 | 174.2 | 0 | 0 | 0 | 118.8 | ||||
| 301 | R | 33.8 | Very low | 36.2 | Very low | 234 Ų | 234 | 138.9 Ų | 138.9 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -161.1 | 165 | 133.5 | -119.4 | 169.1 | 175.2 | -90.8 | -2.7 | 113.6 | ||||
| 302 | S | 37 | Very low | 35.8 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -141.6 | 140.6 | -179.4 | 178.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 303 | S | 33.6 | Very low | 34.8 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | 179.4 | 121 | 168.1 | 48.1 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 304 | L | 35.5 | Very low | 34.8 | Very low | 174 Ų | 174 | 141.2 Ų | 141.2 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | cis | 83.3 | 119 | 44 | -170.5 | 69 | 0 | 0 | 0 | 113.7 | ||||
| 305 | G | 33.1 | Very low | 35.2 | Very low | 57 Ų | 57 | 143.7 Ų | 143.7 | 59% | 0.588 | 79% | 0.793 | S | S | * | * | trans | 80.7 | 153.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 306 | D | 34.2 | Very low | 34.8 | Very low | 142 Ų | 142 | 143 Ų | 143 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | cis | -168.8 | 146 | -16.3 | -103.4 | -48.5 | 0 | 0 | 0 | 109 | ||||
| 307 | Y | 32.6 | Very low | 34.4 | Very low | 243 Ų | 243 | 135.8 Ų | 135.8 | 95% | 0.953 | 78% | 0.775 | S | S | * | * | trans | -163.6 | 126.2 | 151.6 | -100.4 | -67 | 0 | 0 | 0 | 111.9 | ||||
| 308 | L | 36.3 | Very low | 33.9 | Very low | 159 Ų | 159 | 140 Ų | 140 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -85.7 | 167.6 | 176.7 | -60 | 145.3 | 0 | 0 | 0 | 109.8 | ||||
| 309 | S | 34.8 | Very low | 34.1 | Very low | 106 Ų | 106 | 140 Ų | 140 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | cis | -175 | 174.8 | 44.5 | -104.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 310 | R | 30.5 | Very low | 34.4 | Very low | 222 Ų | 222 | 140.5 Ų | 140.5 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | cis | 172.9 | 96.3 | -23 | 174 | -172.1 | 150.6 | -78.2 | 9.5 | 111 | ||||
| 311 | G | 27.9 | Very low | 34.1 | Very low | 68 Ų | 68 | 139.2 Ų | 139.2 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | -177.6 | 132.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 312 | K | 32.5 | Very low | 34.4 | Very low | 175 Ų | 175 | 134.2 Ų | 134.2 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | 77.5 | 131.5 | 63.7 | -83 | -175 | 135.4 | -72.8 | 0 | 112.3 | |||||
| 313 | D | 30.7 | Very low | 34 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 67% | 0.674 | 77% | 0.766 | S | S | * | * | cis | -143 | 174.2 | 12.3 | -95.9 | -49.8 | 0 | 0 | 0 | 113.8 | ||||
| 314 | S | 36.7 | Very low | 33.9 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | -84.5 | 169.5 | 174.7 | -45 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 315 | P | 42.9 | Very low | 33.6 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | -144.2 | 173.9 | 83.4 | 46.6 | -30.9 | 0 | 0 | 0 | 112.1 | |||||
| 316 | S | 30.4 | Very low | 33.6 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | cis | 70.5 | 132.6 | 31.2 | -152.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 317 | C | 30.8 | Very low | 33.8 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | cis | -160.1 | -157.9 | -12 | 47.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 318 | Y | 28.6 | Very low | 33.9 | Very low | 214 Ų | 214 | 131.9 Ų | 131.9 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | trans | 79.4 | 113.1 | 176.3 | -74.1 | -88.3 | 0 | 0 | 0 | 119.9 | ||||
| 319 | S | 40.2 | Very low | 33.9 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | trans | -88.8 | 157.5 | 136.3 | -50 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 320 | P | 39.6 | Very low | 33.9 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 69% | 0.688 | 74% | 0.735 | S | S | * | * | -145 | 150.4 | 125.7 | 36 | -21.6 | 0 | 0 | 0 | 115.8 | |||||
| 321 | I | 34 | Very low | 34.9 | Very low | 139 Ų | 139 | 127.5 Ų | 127.5 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | trans | 44.5 | 121.7 | 139.7 | -56.2 | 167.8 | 0 | 0 | 0 | 119.6 | ||||
| 322 | P | 40.9 | Very low | 35.5 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 84% | 0.844 | 73% | 0.731 | S | S | * | * | trans | -92.3 | 111.3 | 153.7 | 34 | -26.8 | 0 | 0 | 0 | 112.1 | ||||
| 323 | C | 28.9 | Very low | 35.5 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 81% | 0.811 | 74% | 0.735 | S | S | * | * | trans | -119.6 | 150.2 | 149.1 | -58.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 324 | G | 30 | Very low | 35.8 | Very low | 61 Ų | 61 | 129.8 Ų | 129.8 | 63% | 0.629 | 73% | 0.731 | S | S | * | * | cis | 153.8 | 155.9 | 5 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 325 | E | 30.5 | Very low | 35.6 | Very low | 193 Ų | 193 | 130.7 Ų | 130.7 | 90% | 0.902 | 73% | 0.732 | S | S | * | * | trans | 65 | 149.7 | 174.2 | -77.8 | 164.3 | 104.8 | 0 | 0 | 115.9 | ||||
| 326 | D | 32.8 | Very low | 35.2 | Very low | 129 Ų | 129 | 128.9 Ų | 128.9 | 69% | 0.69 | 73% | 0.727 | S | S | * | * | cis | -158.5 | -158.4 | -16.4 | -161.4 | -108.9 | 0 | 0 | 0 | 110.2 | ||||
| 327 | L | 37.5 | Very low | 35.1 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 71% | 0.707 | 73% | 0.734 | S | S | * | * | trans | 79.7 | 104.4 | -179.6 | -78.8 | 67.8 | 0 | 0 | 0 | 115.7 | ||||
| 328 | Q | 34.9 | Very low | 35.4 | Very low | 143 Ų | 143 | 134 Ų | 134 | 67% | 0.668 | 74% | 0.738 | S | S | * | * | 80.1 | 142.4 | 76 | -77.4 | -165.7 | -63.7 | 0 | 0 | 112.6 | |||||
| 329 | D | 37.3 | Very low | 36.4 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | cis | -165.7 | 163.5 | -8.7 | -106 | -5.9 | 0 | 0 | 0 | 106.9 | ||||
| 330 | D | 33.6 | Very low | 36.2 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 57% | 0.567 | 73% | 0.73 | S | S | * | * | cis | -161.5 | -168.5 | -12.6 | 170.9 | 41.4 | 0 | 0 | 0 | 106.2 | ||||
| 331 | H | 52.4 | Low | 36 | Very low | 160 Ų | 160 | 128.2 Ų | 128.2 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | trans | 99.1 | 106.7 | 162.9 | -47.8 | -21.6 | 0 | 0 | 0 | 113.4 | ||||
| 332 | T | 39.8 | Very low | 35.8 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 70% | 0.699 | 74% | 0.736 | S | S | * | * | 65.3 | 122.5 | 51 | -54.8 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 333 | Y | 32.3 | Very low | 35.3 | Very low | 220 Ų | 220 | 128.5 Ų | 128.5 | 86% | 0.863 | 73% | 0.733 | S | S | * | * | cis | -138.3 | 177.1 | 39.4 | -171.3 | -106.2 | 0 | 0 | 0 | 114.4 | ||||
| 334 | S | 37.7 | Very low | 36.9 | Very low | 83 Ų | 83 | 128.8 Ų | 128.8 | 58% | 0.58 | 73% | 0.734 | S | S | * | * | trans | -143.8 | 173.2 | -165.9 | 177.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 335 | T | 33.4 | Very low | 37 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | 74.8 | 141.8 | 161.8 | -56.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 336 | A | 32.8 | Very low | 37.2 | Very low | 82 Ų | 82 | 129.5 Ų | 129.5 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | cis | -147.9 | -168.2 | 20.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 337 | K | 29.5 | Very low | 37.3 | Very low | 200 Ų | 200 | 130.1 Ų | 130.1 | 87% | 0.87 | 73% | 0.734 | S | S | * | * | cis | -161.5 | 172.4 | -1.1 | -144.6 | 164.2 | -176.4 | 173.2 | 0 | 111.2 | ||||
| 338 | S | 35.9 | Very low | 37.1 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | trans | -97.8 | -171.5 | 161.1 | -30.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 339 | P | 51 | Low | 37.1 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | cis | -153.3 | 175.1 | 39.5 | 42 | -19.2 | 0 | 0 | 0 | 120 | ||||
| 340 | S | 35.6 | Very low | 37.8 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | trans | 54.3 | 155.5 | 141.7 | 59.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 341 | S | 34.8 | Very low | 37.7 | Very low | 98 Ų | 98 | 128.9 Ų | 128.9 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | cis | -166.4 | 165.6 | -6.7 | 41.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 342 | L | 30.9 | Very low | 36.7 | Very low | 161 Ų | 161 | 126 Ų | 126 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | 179.6 | 176.2 | 92.3 | -92.3 | 172.7 | 0 | 0 | 0 | 111.4 | |||||
| 343 | S | 29 | Very low | 36.3 | Very low | 113 Ų | 113 | 124.5 Ų | 124.5 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | trans | -138.5 | -128.9 | -171.1 | -57.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 344 | P | 63.5 | Low | 36.5 | Very low | 126 Ų | 126 | 121.4 Ų | 121.4 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | -133.9 | -158.4 | -113 | 43 | -23.3 | 0 | 0 | 0 | 115.8 | |||||
| 345 | S | 32.7 | Very low | 36.4 | Very low | 105 Ų | 105 | 124.7 Ų | 124.7 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | -145.9 | -135.1 | 169.8 | 66.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 346 | E | 34 | Very low | 36.7 | Very low | 164 Ų | 164 | 125.9 Ų | 125.9 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | -158.2 | 158.3 | -128.1 | -89.2 | 162.1 | 107.4 | 0 | 0 | 113.4 | |||||
| 347 | I | 35.7 | Very low | 36.9 | Very low | 142 Ų | 142 | 128.4 Ų | 128.4 | 73% | 0.728 | 76% | 0.756 | S | S | * | * | cis | -164.4 | -154.2 | -10.3 | -148.4 | 171.5 | 0 | 0 | 0 | 110 | ||||
| 348 | T | 31.7 | Very low | 37.1 | Very low | 116 Ų | 116 | 125.9 Ų | 125.9 | 71% | 0.712 | 75% | 0.753 | S | S | * | * | trans | 97 | 158.1 | 156.8 | 1.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 349 | N | 35.7 | Very low | 37.1 | Very low | 153 Ų | 153 | 127 Ų | 127 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | -171.9 | -165.3 | -179.3 | -93.1 | -42.2 | 0 | 0 | 0 | 106.2 | ||||
| 350 | P | 50.9 | Low | 36.3 | Very low | 107 Ų | 107 | 129.1 Ų | 129.1 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | cis | -138.6 | -175.2 | -3.9 | 43.9 | -25.6 | 0 | 0 | 0 | 116.9 | ||||
| 351 | S | 32.1 | Very low | 36 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | trans | 64 | 161.6 | 145.8 | -74.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 352 | S | 32 | Very low | 35.9 | Very low | 101 Ų | 101 | 129 Ų | 129 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | cis | -178.8 | 161.1 | -24 | 56.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 353 | A | 32 | Very low | 35.9 | Very low | 82 Ų | 82 | 129.1 Ų | 129.1 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | trans | 79.5 | 128 | 152.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 354 | L | 36.7 | Very low | 36.2 | Very low | 154 Ų | 154 | 130 Ų | 130 | 81% | 0.806 | 74% | 0.742 | S | S | * | * | 99.3 | 143.1 | 79.6 | -82.4 | -170.5 | 0 | 0 | 0 | 112.2 | |||||
| 355 | E | 34.5 | Very low | 34.6 | Very low | 153 Ų | 153 | 131.8 Ų | 131.8 | 72% | 0.715 | 74% | 0.74 | S | S | * | * | cis | -149.9 | 169.2 | 4.2 | -49.4 | -167.3 | 104.9 | 0 | 0 | 112.4 | ||||
| 356 | D | 39.3 | Very low | 34.7 | Very low | 152 Ų | 152 | 130.8 Ų | 130.8 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | trans | 53.5 | 153.8 | 154.5 | -52.3 | -27.8 | 0 | 0 | 0 | 124.1 | ||||
| 357 | D | 36.7 | Very low | 34.5 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | cis | -127.6 | -124.1 | -3.4 | -160.9 | -13.3 | 0 | 0 | 0 | 111.9 | ||||
| 358 | D | 35.1 | Very low | 34.3 | Very low | 148 Ų | 148 | 128.6 Ų | 128.6 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | cis | -154.5 | 168.4 | 5.7 | -176 | 14.9 | 0 | 0 | 0 | 110.1 | ||||
| 359 | I | 34.3 | Very low | 34.3 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 67% | 0.672 | 74% | 0.738 | S | S | * | * | trans | -135.1 | 164.8 | -158.2 | -49.7 | -178.2 | 0 | 0 | 0 | 116.4 | ||||
| 360 | I | 34.7 | Very low | 35 | Very low | 151 Ų | 151 | 129.8 Ų | 129.8 | 77% | 0.774 | 73% | 0.73 | S | S | * | * | trans | 111.4 | 103.9 | 158.6 | -57.6 | 170.2 | 0 | 0 | 0 | 113.1 | ||||
| 361 | A | 30.5 | Very low | 34 | Very low | 86 Ų | 86 | 132.9 Ų | 132.9 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | 76.9 | 155.3 | 65.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 362 | V | 31.9 | Very low | 35.1 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 71% | 0.709 | 72% | 0.722 | S | S | * | * | cis | -154.9 | 168.2 | 12.1 | -132.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 363 | E | 31.1 | Very low | 35.2 | Very low | 163 Ų | 163 | 136 Ų | 136 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | trans | 50.5 | 162.9 | 144.9 | -73.6 | -176.9 | 120.8 | 0 | 0 | 123.1 | ||||
| 364 | I | 35.1 | Very low | 35.2 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 68% | 0.677 | 73% | 0.728 | S | S | * | * | cis | -167.7 | -175.3 | -34.9 | -146.5 | 170.1 | 0 | 0 | 0 | 108.7 | ||||
| 365 | Q | 30.5 | Very low | 35.3 | Very low | 163 Ų | 163 | 140.3 Ų | 140.3 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | trans | 88.4 | 170.4 | 161.4 | -131.5 | 62.1 | 77.1 | 0 | 0 | 120.2 | ||||
| 366 | S | 34.1 | Very low | 36.1 | Very low | 84 Ų | 84 | 138.1 Ų | 138.1 | 59% | 0.587 | 73% | 0.729 | S | S | * | * | trans | -161.8 | 146.5 | -142.7 | 55.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 367 | D | 29.1 | Very low | 36 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | trans | -166.6 | 147.4 | 145 | -121.1 | -94.9 | 0 | 0 | 0 | 107.5 | ||||
| 368 | V | 31.7 | Very low | 35.7 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | cis | 75.6 | 139.6 | 27.9 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 369 | K | 33.2 | Very low | 35.8 | Very low | 192 Ų | 192 | 135.2 Ų | 135.2 | 84% | 0.835 | 72% | 0.719 | S | S | * | * | cis | -136.9 | -175.9 | 15.2 | -118.6 | -142 | 175.5 | 172.8 | 0 | 112.4 | ||||
| 370 | P | 49.3 | Very low | 35.9 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 66% | 0.656 | 73% | 0.727 | S | S | * | * | trans | -133.9 | -164.1 | -162.3 | 43.8 | -27.7 | 0 | 0 | 0 | 117.7 | ||||
| 371 | E | 30.8 | Very low | 35.9 | Very low | 172 Ų | 172 | 138 Ų | 138 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | 75.9 | 174.2 | 145.5 | -80.9 | -111.2 | 116.3 | 0 | 0 | 119.8 | ||||
| 372 | P | 54.9 | Low | 36 | Very low | 76 Ų | 76 | 138.6 Ų | 138.6 | 49% | 0.494 | 73% | 0.734 | S | S | . | * | -146.1 | -158 | -53.2 | 41.5 | -21.5 | 0 | 0 | 0 | 116.3 | |||||
| 373 | R | 33.8 | Very low | 35.9 | Very low | 203 Ų | 203 | 139.7 Ų | 139.7 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | trans | 92.7 | 151.2 | 159.5 | -53.7 | -146.9 | 166.5 | 98.3 | 11.7 | 119.6 | ||||
| 374 | E | 31.2 | Very low | 35.9 | Very low | 161 Ų | 161 | 136.3 Ų | 136.3 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | cis | -162.1 | 173.5 | -29.8 | -111.7 | 162.5 | -124.8 | 0 | 0 | 108.5 | ||||
| 375 | I | 39.2 | Very low | 35.6 | Very low | 165 Ų | 165 | 134.5 Ų | 134.5 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | trans | -140.2 | 126 | -165.6 | -64.8 | 157.8 | 0 | 0 | 0 | 112.7 | ||||
| 376 | P | 51.3 | Low | 35.6 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | -155.6 | 153 | 128.6 | 37.8 | -20 | 0 | 0 | 0 | 118.5 | |||||
| 377 | L | 36.9 | Very low | 35.4 | Very low | 158 Ų | 158 | 132.3 Ų | 132.3 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | trans | 63.9 | 161.1 | 150.7 | -67.6 | 160.1 | 0 | 0 | 0 | 119 | ||||
| 378 | D | 29.9 | Very low | 35.5 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -139 | -162.6 | 8.7 | -150.3 | -39.5 | 0 | 0 | 0 | 112.2 | ||||
| 379 | S | 37.3 | Very low | 35.6 | Very low | 80 Ų | 80 | 129.2 Ų | 129.2 | 56% | 0.559 | 77% | 0.767 | S | S | * | * | trans | -108 | 167.3 | -167.5 | 59.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 380 | H | 38.1 | Very low | 35.4 | Very low | 183 Ų | 183 | 130.3 Ų | 130.3 | 85% | 0.847 | 77% | 0.768 | S | S | * | * | 175.3 | 165.7 | 129.5 | -93 | -54 | 0 | 0 | 0 | 115.2 | |||||
| 381 | I | 33.6 | Very low | 34.9 | Very low | 158 Ų | 158 | 132.5 Ų | 132.5 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -99.3 | 145.6 | -171.7 | -62.1 | 153 | 0 | 0 | 0 | 110.9 | ||||
| 382 | A | 33.4 | Very low | 35 | Very low | 99 Ų | 99 | 128.5 Ų | 128.5 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -162.2 | 155.3 | 149.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 383 | T | 29.9 | Very low | 34.1 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -139.4 | 127.8 | 174.4 | -66.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 384 | A | 30.9 | Very low | 34.6 | Very low | 92 Ų | 92 | 132.6 Ų | 132.6 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | 177.1 | 148.1 | 155.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 385 | A | 28.6 | Very low | 35.7 | Very low | 94 Ų | 94 | 130.7 Ų | 130.7 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | cis | 93.9 | 104.9 | 14.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 386 | A | 30.2 | Very low | 36.6 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | 79 | 134 | 150.4 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 387 | A | 29.7 | Very low | 35.9 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | 120.8 | 149 | 129.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 388 | A | 30.8 | Very low | 35.8 | Very low | 104 Ų | 104 | 129.1 Ų | 129.1 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | 65.8 | 148 | 171.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 389 | A | 34.3 | Very low | 36.1 | Very low | 92 Ų | 92 | 130.3 Ų | 130.3 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | cis | -157.9 | 132.4 | -15.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 390 | Y | 29.8 | Very low | 35.8 | Very low | 216 Ų | 216 | 135.4 Ų | 135.4 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | 81.7 | 146.1 | 89.5 | -159.5 | -124.9 | 0 | 0 | 0 | 115.5 | |||||
| 391 | I | 37.7 | Very low | 35.7 | Very low | 146 Ų | 146 | 136.2 Ų | 136.2 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | trans | 75.3 | 145.4 | 174.4 | -50.9 | -173.6 | 0 | 0 | 0 | 116.8 | ||||
| 392 | S | 33 | Very low | 35.7 | Very low | 88 Ų | 88 | 133.9 Ų | 133.9 | 62% | 0.615 | 78% | 0.78 | S | S | * | * | cis | -173.3 | 157.5 | -35.4 | -163.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 393 | Q | 36.7 | Very low | 35.7 | Very low | 177 Ų | 177 | 134.1 Ų | 134.1 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | 63 | 122.9 | 154.8 | -77.3 | 165.8 | 122.2 | 0 | 0 | 122.9 | ||||
| 394 | Q | 44.2 | Very low | 35.8 | Very low | 188 Ų | 188 | 132.1 Ų | 132.1 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | trans | -94.7 | 145.9 | 142.6 | -70.5 | 179.8 | -17.3 | 0 | 0 | 110.7 | ||||
| 395 | P | 53.9 | Low | 36 | Very low | 121 Ų | 121 | 133 Ų | 133 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -107.3 | 168.1 | 168.2 | 35.3 | -24.9 | 0 | 0 | 0 | 113.6 | ||||
| 396 | P | 58.1 | Low | 36.1 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | -146.4 | -164.7 | -122.4 | 40.9 | -18.9 | 0 | 0 | 0 | 117.9 | |||||
| 397 | R | 37.2 | Very low | 36.2 | Very low | 229 Ų | 229 | 132.5 Ų | 132.5 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | 79.8 | 147 | 159.7 | -62.4 | 159.8 | -179.8 | -178.8 | 0.9 | 117.7 | ||||
| 398 | G | 33.8 | Very low | 36.2 | Very low | 67 Ų | 67 | 131 Ų | 131 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | cis | 150.6 | 177.1 | -13.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 399 | Q | 35.9 | Very low | 36.4 | Very low | 160 Ų | 160 | 133 Ų | 133 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | 73.1 | 154.2 | 166.2 | -52.8 | -162.6 | 33.9 | 0 | 0 | 117.4 | ||||
| 400 | R | 32.6 | Very low | 36.5 | Very low | 187 Ų | 187 | 136 Ų | 136 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | cis | -163.3 | 137.3 | -18.2 | -114.1 | -175.4 | 169.8 | -172.5 | -3.6 | 112 | ||||
| 401 | R | 34.7 | Very low | 37.5 | Very low | 200 Ų | 200 | 131.6 Ų | 131.6 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | 51 | 149.7 | 137.4 | -66.7 | 178.6 | 165 | -160.2 | -5.2 | 124.2 | ||||
| 402 | S | 34.4 | Very low | 37.2 | Very low | 110 Ų | 110 | 127.8 Ų | 127.8 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | 70.4 | 151.1 | 146.7 | 32 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 403 | S | 33.1 | Very low | 37.2 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | cis | -168.2 | 142.7 | -7.2 | 41.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 404 | A | 33 | Very low | 36.9 | Very low | 97 Ų | 97 | 126.2 Ų | 126.2 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | 67.6 | 160.2 | 131.7 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 405 | A | 33.9 | Very low | 36.7 | Very low | 109 Ų | 109 | 124.9 Ų | 124.9 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | trans | 65.4 | 155 | 177 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 406 | G | 30.7 | Very low | 36.7 | Very low | 72 Ų | 72 | 124.1 Ų | 124.1 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | cis | 157.1 | 99.1 | -15.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 407 | A | 33.1 | Very low | 35.4 | Very low | 115 Ų | 115 | 131 Ų | 131 | 95% | 0.95 | 79% | 0.791 | S | S | * | * | trans | 61.5 | 152.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 408 | G | 30.1 | Very low | 35.5 | Very low | 68 Ų | 68 | 124.6 Ų | 124.6 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | 124.5 | 92.3 | 144.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 409 | T | 33.2 | Very low | 35.6 | Very low | 145 Ų | 145 | 130.4 Ų | 130.4 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | 76 | 160.3 | 132 | -46.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 410 | L | 36.4 | Very low | 35.5 | Very low | 156 Ų | 156 | 128.3 Ų | 128.3 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | trans | -103.8 | -166.7 | -172.5 | -60.2 | 167.8 | 0 | 0 | 0 | 111.3 | ||||
| 411 | P | 52.4 | Low | 35.6 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | cis | -133 | 173.5 | -38.4 | 25.3 | -4.4 | 0 | 0 | 0 | 114.8 | ||||
| 412 | G | 30.5 | Very low | 35.6 | Very low | 66 Ų | 66 | 125.5 Ų | 125.5 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | 115.1 | 136.8 | 125.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 413 | S | 32.3 | Very low | 35.8 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 88% | 0.881 | 81% | 0.806 | S | S | * | * | trans | 68.5 | 158.5 | 166.9 | 80.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 414 | S | 32 | Very low | 35.7 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | cis | -140.7 | -177.9 | 9.5 | 66 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 415 | L | 39.5 | Very low | 35.7 | Very low | 161 Ų | 161 | 134 Ų | 134 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -109.2 | -134.5 | -175.4 | -75.5 | 76.4 | 0 | 0 | 0 | 113 | ||||
| 416 | P | 53.7 | Low | 35.8 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | -129.7 | -179.8 | -109.1 | 42 | -25.3 | 0 | 0 | 0 | 116.3 | T418 | P416-T418 HydrophobicContact CG-CG2 4.42Š| |||
| 417 | W | 31.9 | Very low | 36 | Very low | 245 Ų | 245 | 136.7 Ų | 136.7 | 93% | 0.928 | 80% | 0.795 | S | S | * | * | trans | -93.5 | 159.3 | 159.3 | 152.5 | -84.6 | 0 | 0 | 0 | 111.1 | ||||
| 418 | T | 38.6 | Very low | 36.4 | Very low | 95 Ų | 95 | 138.3 Ų | 138.3 | 58% | 0.583 | 79% | 0.793 | S | S | * | * | trans | -142.2 | -175.5 | -159.9 | 66.5 | 0 | 0 | 0 | 0 | 115.7 | P416 | P416-T418 HydrophobicContact CG-CG2 4.42Š| ||
| 419 | K | 35.5 | Very low | 36.8 | Very low | 189 Ų | 189 | 142.8 Ų | 142.8 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | 83.6 | 127.5 | -176.7 | -68.3 | 175.3 | 173.8 | 171.6 | 0 | 115.7 | ||||
| 420 | S | 35 | Very low | 37.8 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | cis | 89.6 | 138.4 | 27.6 | -61.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 421 | R | 33.8 | Very low | 37.8 | Very low | 236 Ų | 236 | 140.5 Ų | 140.5 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | cis | -171.6 | 157.4 | 0.5 | 147.8 | 179.2 | -179.6 | -167.1 | 1.5 | 112.7 | ||||
| 422 | A | 34.9 | Very low | 37 | Very low | 93 Ų | 93 | 143.4 Ų | 143.4 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | 85.7 | 164.1 | 154.3 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 423 | R | 38 | Very low | 37.3 | Very low | 256 Ų | 256 | 148.2 Ų | 148.2 | 97% | 0.966 | 79% | 0.791 | S | S | * | * | trans | -124.8 | 157.9 | -160.4 | -64.5 | 174.8 | -93.7 | -143.7 | -5.5 | 112 | ||||
| 424 | G | 31.4 | Very low | 37.3 | Very low | 63 Ų | 63 | 152.2 Ų | 152.2 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | trans | -178.5 | 111.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 425 | I | 33.8 | Very low | 37.6 | Very low | 170 Ų | 170 | 157.9 Ų | 157.9 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | 82.5 | 115.9 | 88.5 | -70.1 | 167.2 | 0 | 0 | 0 | 114.1 | |||||
| 426 | S | 35 | Very low | 37.6 | Very low | 98 Ų | 98 | 154.3 Ų | 154.3 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | trans | 51.4 | 132.9 | 154.8 | -78 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 427 | D | 35.6 | Very low | 37.2 | Very low | 139 Ų | 139 | 155.3 Ų | 155.3 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | 47 | 113.1 | 136.9 | -56.6 | -61.7 | 0 | 0 | 0 | 122 | ||||
| 428 | T | 40.1 | Very low | 37.5 | Very low | 149 Ų | 149 | 153.1 Ų | 153.1 | 91% | 0.914 | 79% | 0.792 | S | S | * | * | -175.6 | 159.1 | 116 | 21.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 429 | L | 39.3 | Very low | 37.8 | Very low | 162 Ų | 162 | 156 Ų | 156 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | trans | -96 | 178.7 | 173.3 | -72.2 | 170.6 | 0 | 0 | 0 | 110.9 | ||||
| 430 | P | 53.4 | Low | 38.4 | Very low | 105 Ų | 105 | 152 Ų | 152 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | cis | -130.9 | -171.3 | -41.2 | 36.4 | -20 | 0 | 0 | 0 | 111.6 | ||||
| 431 | L | 36.6 | Very low | 39.2 | Very low | 148 Ų | 148 | 152.7 Ų | 152.7 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | 168.5 | 137.8 | 130.1 | -92.6 | 161.6 | 0 | 0 | 0 | 116.2 | ||||
| 432 | K | 37.3 | Very low | 40.4 | Very low | 185 Ų | 185 | 145.7 Ų | 145.7 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 61.9 | 158.1 | 154.4 | -72.3 | 168.2 | 176.9 | 170.3 | 0 | 120.9 | ||||
| 433 | K | 35.6 | Very low | 41.5 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | cis | -177.4 | 126.7 | -37 | 177 | 164.1 | -175.3 | 170.5 | 0 | 110.6 | ||||
| 434 | R | 33.3 | Very low | 42.5 | Very low | 210 Ų | 210 | 138.2 Ų | 138.2 | 79% | 0.792 | 74% | 0.742 | S | S | * | * | trans | 65 | 162.3 | 172.7 | -70.9 | 172.8 | 166.3 | 175.5 | -7.3 | 114.6 | ||||
| 435 | R | 36.6 | Very low | 44.2 | Very low | 224 Ų | 224 | 139.6 Ų | 139.6 | 85% | 0.845 | 74% | 0.735 | S | S | * | * | cis | -142.5 | 162.1 | 0.3 | -145.7 | 175.1 | -174.8 | 165.6 | -2.7 | 109.6 | ||||
| 436 | A | 40 | Very low | 45.9 | Very low | 87 Ų | 87 | 137 Ų | 137 | 72% | 0.719 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 157.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 437 | P | 46 | Very low | 47.6 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 165.1 | 168.5 | 36.2 | -34.9 | 0 | 0 | 0 | 112.5 | ||
| 438 | E | 38.4 | Very low | 49.3 | Very low | 199 Ų | 199 | 139.6 Ų | 139.6 | 93% | 0.93 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 168.4 | 179.8 | -64.8 | -176.5 | 138 | 0 | 0 | 113.5 | ||
| 439 | K | 44.8 | Very low | 50.9 | Low | 155 Ų | 155 | 137 Ų | 137 | 67% | 0.674 | 69% | 0.693 | S | S | * | * | trans | -112.2 | 140.1 | -178.8 | -172 | -166.3 | 175.4 | -172.6 | 0 | 109.6 | E442 | K439-E442 IonicContact NZ-OE2 2.66Å; K439-E442 PolarHBondContact NZ-OE2 2.94Å | ||
| 440 | P | 47 | Very low | 52.8 | Low | 105 Ų | 105 | 136.5 Ų | 136.5 | 68% | 0.682 | 69% | 0.687 | S | S | * | * | trans | -62.2 | 163.2 | 170 | -20.7 | 33.7 | 0 | 0 | 0 | 112.8 | ||||
| 441 | P | 53.1 | Low | 53.9 | Low | 131 Ų | 131 | 134 Ų | 134 | 85% | 0.851 | 68% | 0.675 | S | S | * | * | trans | -68.4 | 147.9 | -170.4 | 27.9 | -35.2 | 0 | 0 | 0 | 113.7 | ||||
| 442 | E | 57.4 | Low | 55.7 | Low | 88 Ų | 88 | 129.2 Ų | 129.2 | 41% | 0.411 | 66% | 0.656 | S | S | . | * | trans | -123.2 | 96.6 | 178 | 178.4 | 172.3 | -174.9 | 0 | 0 | 107 | K439 D445 K449 | K439-E442 IonicContact NZ-OE2 2.66Å; K439-E442 PolarHBondContact NZ-OE2 2.94Å; E442-D445 HydrophobicContact CG-CB 4.18Å; E442-K449 IonicContact OE1-NZ 3.16Å; E442-K449 PolarHBondContact OE1-NZ 3.37Å; E442-K449 VanDerWaalsContact OE1-NZ 3.12Å | ||
| 443 | S | 59.8 | Low | 57.7 | Low | 83 Ų | 83 | 120.6 Ų | 120.6 | 58% | 0.58 | 62% | 0.62 | S | S | * | * | trans | -109.4 | -45.7 | 179 | 46 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 444 | D | 58.6 | Low | 59.8 | Low | 109 Ų | 109 | 116.3 Ų | 116.3 | 58% | 0.583 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -86.2 | -26.9 | -164.3 | -52.3 | 6 | 0 | 0 | 0 | 111.9 | M448 | D444-M448 WeakPolarHBondContact O-CG 3.32Å; D444-M448 PolarHBondContact O-N 3.35Å; D444-M448 VanDerWaalsContact O-N 3.15Å |
| 445 | D | 67.4 | Low | 61.9 | Low | 93 Ų | 93 | 112 Ų | 112 | 50% | 0.497 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -69.1 | -35.6 | -176.6 | -73.7 | -59.2 | 0 | 0 | 0 | 113.5 | E442 K449 | E442-D445 HydrophobicContact CG-CB 4.18Å; D445-K449 WeakPolarHBondContact O-CB 3.23Å; D445-K449 WeakPolarHBondContact O-CD 3.33Å; D445-K449 WeakPolarHBondContact O-CE 3.45Å; D445-K449 WeakPolarHBondContact O-CG 3.46Å; D445-K449 PolarHBondContact O-N 3.35Å |
| 446 | E | 69.3 | Low | 63.8 | Low | 115 Ų | 115 | 105.2 Ų | 105.2 | 54% | 0.537 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -73.9 | -40.1 | 179.2 | -73.8 | -66.6 | 119.2 | 0 | 0 | 111.9 | M448 K449 E450 | E446-M448 VanDerWaalsContact C-N 3.34Å; E446-M448 PolarHBondContact O-N 3.36Å; E446-K449 PolarHBondContact O-N 2.93Å; E446-K449 WeakPolarHBondContact OE1-CD 3.49Å; E446-K449 WeakPolarHBondContact OE1-CE 3.39Å; E446-K449 IonicContact OE1-NZ 2.73Å; E446-K449 PolarHBondContact OE1-NZ 2.89Å; E446-E450 PolarHBondContact O-N 2.97Å |
| 447 | E | 70.2 | Confident | 65.6 | Low | 151 Ų | 151 | 107.3 Ų | 107.3 | 71% | 0.706 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.3 | -41.5 | 174 | -170.3 | 175.6 | 168.4 | 0 | 0 | 111.1 | E450 A451 | E447-E450 PolarHBondContact O-N 3.39Å; E447-A451 VanDerWaalsContact O-CB 3.29Å; E447-A451 WeakPolarHBondContact O-CB 3.47Å; E447-A451 PolarHBondContact O-N 3.01Å |
| 448 | M | 70.7 | Confident | 66.9 | Low | 140 Ų | 140 | 108.7 Ų | 108.7 | 69% | 0.69 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.7 | -38.4 | 173.3 | -72.9 | -159 | -176.6 | 0 | 0 | 113.3 | D444 E446 A452 | D444-M448 WeakPolarHBondContact O-CG 3.32Å; D444-M448 PolarHBondContact O-N 3.35Å; D444-M448 VanDerWaalsContact O-N 3.15Å; E446-M448 VanDerWaalsContact C-N 3.34Å; E446-M448 PolarHBondContact O-N 3.36Å; M448-A452 VanDerWaalsContact O-CB 3.23Å; M448-A452 WeakPolarHBondContact O-CB 3.47Å; M448-A452 PolarHBondContact O-N 2.96Å |
| 449 | K | 74.6 | Confident | 68.5 | Low | 94 Ų | 94 | 102.7 Ų | 102.7 | 41% | 0.409 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.5 | -40 | 175.3 | -70.2 | 156.8 | -160.2 | 150.3 | 0 | 111.7 | E442 D445 E446 G453 | E442-K449 IonicContact OE1-NZ 3.16Å; E442-K449 PolarHBondContact OE1-NZ 3.37Å; E442-K449 VanDerWaalsContact OE1-NZ 3.12Å; D445-K449 WeakPolarHBondContact O-CB 3.23Å; D445-K449 WeakPolarHBondContact O-CD 3.33Å; D445-K449 WeakPolarHBondContact O-CE 3.45Å; D445-K449 WeakPolarHBondContact O-CG 3.46Å; D445-K449 PolarHBondContact O-N 3.35Å; E446-K449 PolarHBondContact O-N 2.93Å; E446-K449 WeakPolarHBondContact OE1-CD 3.49Å; E446-K449 WeakPolarHBondContact OE1-CE 3.39Å; E446-K449 IonicContact OE1-NZ 2.73Å; E446-K449 PolarHBondContact OE1-NZ 2.89Å; K449-G453 PolarHBondContact O-N 3.22Å |
| 450 | E | 78.7 | Confident | 70.2 | Confident | 153 Ų | 153 | 97.2 Ų | 97.2 | 72% | 0.715 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69.1 | -46 | 177.2 | -175.1 | 164.5 | -158.1 | 0 | 0 | 111.4 | E446 E447 A452 G453 S454 | E446-E450 PolarHBondContact O-N 2.97Å; E447-E450 PolarHBondContact O-N 3.39Å; E450-A452 PolarHBondContact O-N 3.16Å; E450-G453 CarbonylContact O-C 3.55Å; E450-G453 WeakPolarHBondContact O-CA 3.4Å; E450-G453 PolarHBondContact O-N 2.91Å; E450-G453 VanDerWaalsContact O-N 3.12Å; E450-S454 WeakPolarHBondContact O-CB 3.47Å; E450-S454 PolarHBondContact O-N 2.93Å |
| 451 | A | 75.4 | Confident | 71.6 | Confident | 52 Ų | 52 | 95.4 Ų | 95.4 | 43% | 0.43 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.6 | -46.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E447 G453 S454 L455 | E447-A451 VanDerWaalsContact O-CB 3.29Å; E447-A451 WeakPolarHBondContact O-CB 3.47Å; E447-A451 PolarHBondContact O-N 3.01Å; A451-G453 VanDerWaalsContact C-N 3.33Å; A451-G453 PolarHBondContact O-N 3.27Å; A451-S454 PolarHBondContact O-N 3.26Å; A451-L455 WeakPolarHBondContact O-CG 3.29Å; A451-L455 PolarHBondContact O-N 3.32Å |
| 452 | A | 76 | Confident | 72.5 | Confident | 47 Ų | 47 | 95 Ų | 95 | 39% | 0.388 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.4 | -38.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | M448 E450 L456 | M448-A452 VanDerWaalsContact O-CB 3.23Å; M448-A452 WeakPolarHBondContact O-CB 3.47Å; M448-A452 PolarHBondContact O-N 2.96Å; E450-A452 PolarHBondContact O-N 3.16Å; A452-L456 WeakPolarHBondContact O-CB 3.41Å; A452-L456 WeakPolarHBondContact O-CG 3.46Å; A452-L456 PolarHBondContact O-N 2.89Å |
| 453 | G | 78.8 | Confident | 73.2 | Confident | 4 Ų | 4 | 94 Ų | 94 | 4% | 0.041 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K449 E450 A451 H457 R462 | K449-G453 PolarHBondContact O-N 3.22Å; E450-G453 CarbonylContact O-C 3.55Å; E450-G453 WeakPolarHBondContact O-CA 3.4Å; E450-G453 PolarHBondContact O-N 2.91Å; E450-G453 VanDerWaalsContact O-N 3.12Å; A451-G453 VanDerWaalsContact C-N 3.33Å; A451-G453 PolarHBondContact O-N 3.27Å; G453-H457 PolarHBondContact O-N 3.47Å; G453-R462 WeakPolarHBondContact O-CD 3.36Å; G453-R462 PolarHBondContact O-NE 3.03Å |
| 454 | S | 80.4 | Confident | 73.6 | Confident | 77 Ų | 77 | 93.7 Ų | 93.7 | 54% | 0.538 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.4 | -46.5 | 176 | -168.8 | 0 | 0 | 0 | 0 | 111.4 | E450 A451 L456 H457 L458 | E450-S454 WeakPolarHBondContact O-CB 3.47Å; E450-S454 PolarHBondContact O-N 2.93Å; A451-S454 PolarHBondContact O-N 3.26Å; S454-L456 VanDerWaalsContact C-N 3.35Å; S454-L456 PolarHBondContact O-N 3.07Å; S454-H457 WeakPolarHBondContact O-CA 3.09Å; S454-H457 WeakPolarHBondContact O-CB 3.47Å; S454-H457 PolarHBondContact O-N 3.17Å; S454-L458 PolarHBondContact O-N 3.12Å |
| 455 | L | 75.9 | Confident | 74.3 | Confident | 118 Ų | 118 | 93.4 Ų | 93.4 | 62% | 0.618 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.1 | -42.1 | 174.2 | -73.3 | 168.3 | 0 | 0 | 0 | 112.5 | A451 H457 L458 A459 | A451-L455 WeakPolarHBondContact O-CG 3.29Å; A451-L455 PolarHBondContact O-N 3.32Å; L455-H457 PolarHBondContact O-N 2.99Å; L455-L458 PolarHBondContact O-N 3.28Å; L455-A459 WeakPolarHBondContact O-CB 3.4Å; L455-A459 PolarHBondContact O-N 2.81Å |
| 456 | L | 76.8 | Confident | 74.5 | Confident | 83 Ų | 83 | 93.6 Ų | 93.6 | 44% | 0.435 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.5 | -18.7 | 175.1 | -73.7 | 169 | 0 | 0 | 0 | 113.8 | A452 S454 V461 R462 | A452-L456 WeakPolarHBondContact O-CB 3.41Å; A452-L456 WeakPolarHBondContact O-CG 3.46Å; A452-L456 PolarHBondContact O-N 2.89Å; S454-L456 VanDerWaalsContact C-N 3.35Å; S454-L456 PolarHBondContact O-N 3.07Å; L456-V461 HydrophobicContact CD2-CB 4.08Å; L456-V461 HydrophobicContact CD2-CG1 4.12Å; L456-V461 HydrophobicContact CD2-CG2 4.47Å; L456-V461 PolarHBondContact O-N 3.15Å; L456-R462 HydrophobicContact CB-CG 4.09Å; L456-R462 PolarHBondContact O-N 3.39Å |
| 457 | H | 77.6 | Confident | 74.6 | Confident | 131 Ų | 131 | 92.3 Ų | 92.3 | 61% | 0.606 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -81.7 | -46.5 | 170.3 | -172.6 | 56.8 | 0 | 0 | 0 | 111.2 | G453 S454 L455 A459 G460 | G453-H457 PolarHBondContact O-N 3.47Å; S454-H457 WeakPolarHBondContact O-CA 3.09Å; S454-H457 WeakPolarHBondContact O-CB 3.47Å; S454-H457 PolarHBondContact O-N 3.17Å; L455-H457 PolarHBondContact O-N 2.99Å; H457-A459 VanDerWaalsContact C-N 3.28Å; H457-A459 PolarHBondContact O-N 3.45Å; H457-G460 WeakPolarHBondContact O-CA 3.2Å; H457-G460 PolarHBondContact O-N 2.88Å |
| 458 | L | 74.4 | Confident | 74.8 | Confident | 155 Ų | 155 | 89.8 Ų | 89.8 | 81% | 0.812 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.6 | -35.7 | 178.3 | -158.5 | 74.3 | 0 | 0 | 0 | 112.3 | S454 L455 G460 | S454-L458 PolarHBondContact O-N 3.12Å; L455-L458 PolarHBondContact O-N 3.28Å; L458-G460 PolarHBondContact O-N 3.39Å |
| 459 | A | 71.3 | Confident | 75 | Confident | 72 Ų | 72 | 87 Ų | 87 | 60% | 0.595 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | 6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L455 H457 V461 | L455-A459 WeakPolarHBondContact O-CB 3.4Å; L455-A459 PolarHBondContact O-N 2.81Å; H457-A459 VanDerWaalsContact C-N 3.28Å; H457-A459 PolarHBondContact O-N 3.45Å; A459-V461 HydrophobicContact CB-CG2 4.12Å; A459-V461 PolarHBondContact O-N 2.9Å |
| 460 | G | 79.8 | Confident | 74.7 | Confident | 40 Ų | 40 | 87.9 Ų | 87.9 | 41% | 0.412 | 51% | 0.508 | S | S | . | . | S | Bend | trans | 70.8 | -15.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | H457 L458 R462 A463 | H457-G460 WeakPolarHBondContact O-CA 3.2Å; H457-G460 PolarHBondContact O-N 2.88Å; L458-G460 PolarHBondContact O-N 3.39Å; G460-R462 VanDerWaalsContact C-N 3.32Å; G460-R462 PolarHBondContact O-N 3.19Å; G460-A463 PolarHBondContact O-N 3.45Å |
| 461 | V | 77.3 | Confident | 74.3 | Confident | 68 Ų | 68 | 89.4 Ų | 89.4 | 41% | 0.412 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -55 | -41.4 | -173.2 | -177.2 | 0 | 0 | 0 | 0 | 112.8 | L456 A459 A463 C464 L465 | L456-V461 HydrophobicContact CD2-CB 4.08Å; L456-V461 HydrophobicContact CD2-CG1 4.12Å; L456-V461 HydrophobicContact CD2-CG2 4.47Å; L456-V461 PolarHBondContact O-N 3.15Å; A459-V461 HydrophobicContact CB-CG2 4.12Å; A459-V461 PolarHBondContact O-N 2.9Å; V461-A463 VanDerWaalsContact C-N 3.28Å; V461-A463 PolarHBondContact O-N 2.97Å; V461-C464 PolarHBondContact O-N 2.63Å; V461-C464 VanDerWaalsContact O-N 3.16Å; V461-L465 PolarHBondContact O-N 3.07Å |
| 462 | R | 73.1 | Confident | 74 | Confident | 123 Ų | 123 | 89.9 Ų | 89.9 | 46% | 0.464 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -56.4 | -37.7 | 178.4 | -101.3 | -179.4 | 169.7 | -161.8 | -1.6 | 113.2 | G453 L456 G460 N466 | G453-R462 WeakPolarHBondContact O-CD 3.36Å; G453-R462 PolarHBondContact O-NE 3.03Å; L456-R462 HydrophobicContact CB-CG 4.09Å; L456-R462 PolarHBondContact O-N 3.39Å; G460-R462 VanDerWaalsContact C-N 3.32Å; G460-R462 PolarHBondContact O-N 3.19Å; R462-N466 WeakPolarHBondContact O-CB 3.36Å; R462-N466 VanDerWaalsContact O-CG 3.23Å; R462-N466 PolarHBondContact O-N 3.39Å; R462-N466 VanDerWaalsContact O-N 3.11Å; R462-N466 PolarHBondContact O-ND2 2.95Å |
| 463 | A | 72.1 | Confident | 73.6 | Confident | 66 Ų | 66 | 90.6 Ų | 90.6 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.8 | -40.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G460 V461 N467 | G460-A463 PolarHBondContact O-N 3.45Å; V461-A463 VanDerWaalsContact C-N 3.28Å; V461-A463 PolarHBondContact O-N 2.97Å; A463-N467 PolarHBondContact O-N 3.12Å; A463-N467 VanDerWaalsContact O-N 3.11Å |
| 464 | C | 67.9 | Low | 72.8 | Confident | 77 Ų | 77 | 96.1 Ų | 96.1 | 52% | 0.52 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.1 | -47.3 | 175.7 | -170.4 | 0 | 0 | 0 | 0 | 111.5 | V461 N466 N467 I468 | V461-C464 PolarHBondContact O-N 2.63Å; V461-C464 VanDerWaalsContact O-N 3.16Å; C464-N466 VanDerWaalsContact C-N 3.34Å; C464-N466 PolarHBondContact O-N 2.58Å; C464-N467 WeakPolarHBondContact O-CB 3.13Å; C464-N467 PolarHBondContact O-N 3.11Å; C464-I468 WeakPolarHBondContact O-CG1 3.4Å; C464-I468 PolarHBondContact O-N 3.02Å |
| 465 | L | 71.8 | Confident | 71.9 | Confident | 103 Ų | 103 | 93.8 Ų | 93.8 | 54% | 0.539 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.8 | -41 | 179.9 | -157.4 | 75.1 | 0 | 0 | 0 | 112.2 | V461 I468 T469 | V461-L465 PolarHBondContact O-N 3.07Å; L465-I468 PolarHBondContact O-N 2.98Å; L465-T469 WeakPolarHBondContact O-CB 3.43Å; L465-T469 PolarHBondContact O-N 3.48Å; L465-T469 PolarHBondContact O-OG1 2.96Å |
| 466 | N | 72.7 | Confident | 71 | Confident | 97 Ų | 97 | 95.2 Ų | 95.2 | 52% | 0.519 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 173.4 | -72.8 | -9.4 | 0 | 0 | 0 | 112.3 | R462 C464 T469 N470 | R462-N466 WeakPolarHBondContact O-CB 3.36Å; R462-N466 VanDerWaalsContact O-CG 3.23Å; R462-N466 PolarHBondContact O-N 3.39Å; R462-N466 VanDerWaalsContact O-N 3.11Å; R462-N466 PolarHBondContact O-ND2 2.95Å; C464-N466 VanDerWaalsContact C-N 3.34Å; C464-N466 PolarHBondContact O-N 2.58Å; N466-T469 PolarHBondContact O-N 3.48Å; N466-N470 WeakPolarHBondContact O-CB 3.38Å; N466-N470 VanDerWaalsContact O-CG 3.31Å; N466-N470 PolarHBondContact O-N 3.47Å; N466-N470 PolarHBondContact O-ND2 3.17Å; N466-N470 VanDerWaalsContact O-ND2 3.17Å |
| 467 | N | 71.9 | Confident | 70.2 | Confident | 87 Ų | 87 | 98.4 Ų | 98.4 | 47% | 0.465 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65 | -44.8 | 177 | -154.5 | -71.9 | 0 | 0 | 0 | 111.7 | A463 C464 T469 N470 R471 | A463-N467 PolarHBondContact O-N 3.12Å; A463-N467 VanDerWaalsContact O-N 3.11Å; C464-N467 WeakPolarHBondContact O-CB 3.13Å; C464-N467 PolarHBondContact O-N 3.11Å; N467-T469 PolarHBondContact O-N 3.42Å; N467-N470 PolarHBondContact O-N 3.11Å; N467-R471 WeakPolarHBondContact O-CG 3.45Å; N467-R471 PolarHBondContact O-N 2.74Å; N467-R471 PolarHBondContact OD1-NE 3.35Å |
| 468 | I | 73.5 | Confident | 69.2 | Low | 98 Ų | 98 | 96.6 Ų | 96.6 | 50% | 0.503 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 175.3 | -66.6 | 164.8 | 0 | 0 | 0 | 110.7 | C464 L465 N470 R471 A472 | C464-I468 WeakPolarHBondContact O-CG1 3.4Å; C464-I468 PolarHBondContact O-N 3.02Å; L465-I468 PolarHBondContact O-N 2.98Å; I468-N470 PolarHBondContact O-N 2.98Å; I468-R471 PolarHBondContact O-N 3.5Å; I468-A472 PolarHBondContact O-N 3.48Å |
| 469 | T | 75.9 | Confident | 68.3 | Low | 81 Ų | 81 | 95.9 Ų | 95.9 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | -179.3 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | L465 N466 N467 A472 A473 | L465-T469 WeakPolarHBondContact O-CB 3.43Å; L465-T469 PolarHBondContact O-N 3.48Å; L465-T469 PolarHBondContact O-OG1 2.96Å; N466-T469 PolarHBondContact O-N 3.48Å; N467-T469 PolarHBondContact O-N 3.42Å; T469-A472 PolarHBondContact O-N 3.15Å; T469-A473 WeakPolarHBondContact O-CB 3.44Å; T469-A473 PolarHBondContact O-N 3.33Å |
| 470 | N | 68.3 | Low | 67.6 | Low | 113 Ų | 113 | 100.4 Ų | 100.4 | 60% | 0.604 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.8 | -36.6 | 175.6 | -75 | -32.4 | 0 | 0 | 0 | 112.8 | N466 N467 I468 K474 | N466-N470 WeakPolarHBondContact O-CB 3.38Å; N466-N470 VanDerWaalsContact O-CG 3.31Å; N466-N470 PolarHBondContact O-N 3.47Å; N466-N470 PolarHBondContact O-ND2 3.17Å; N466-N470 VanDerWaalsContact O-ND2 3.17Å; N467-N470 PolarHBondContact O-N 3.11Å; I468-N470 PolarHBondContact O-N 2.98Å; N470-K474 WeakPolarHBondContact O-CB 3.45Å; N470-K474 PolarHBondContact O-N 3.27Å |
| 471 | R | 68.9 | Low | 66.4 | Low | 185 Ų | 185 | 104 Ų | 104 | 70% | 0.698 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.1 | -44.1 | 172.6 | -73.3 | 177.2 | -176.6 | -131.3 | -0.7 | 111.8 | N467 I468 K474 G475 | N467-R471 WeakPolarHBondContact O-CG 3.45Å; N467-R471 PolarHBondContact O-N 2.74Å; N467-R471 PolarHBondContact OD1-NE 3.35Å; I468-R471 PolarHBondContact O-N 3.5Å; R471-K474 PolarHBondContact O-N 2.94Å; R471-G475 PolarHBondContact O-N 2.99Å |
| 472 | A | 70.3 | Confident | 65.3 | Low | 63 Ų | 63 | 106 Ų | 106 | 52% | 0.521 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.7 | -44 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I468 T469 K474 G475 Q476 | I468-A472 PolarHBondContact O-N 3.48Å; T469-A472 PolarHBondContact O-N 3.15Å; A472-K474 PolarHBondContact O-N 3.37Å; A472-G475 PolarHBondContact O-N 2.81Å; A472-Q476 PolarHBondContact O-N 2.66Å; A472-Q476 VanDerWaalsContact O-N 3.15Å |
| 473 | A | 67.6 | Low | 64.3 | Low | 62 Ų | 62 | 107.9 Ų | 107.9 | 51% | 0.512 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.2 | -38.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | T469 K477 | T469-A473 WeakPolarHBondContact O-CB 3.44Å; T469-A473 PolarHBondContact O-N 3.33Å; A473-K477 PolarHBondContact O-N 2.96Å |
| 474 | K | 62.2 | Low | 63.4 | Low | 119 Ų | 119 | 115.2 Ų | 115.2 | 52% | 0.517 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.9 | -45.8 | 175.1 | -166.4 | -178.9 | 177.1 | -89.2 | 0 | 111.6 | N470 R471 A472 Q476 K477 E478 | N470-K474 WeakPolarHBondContact O-CB 3.45Å; N470-K474 PolarHBondContact O-N 3.27Å; R471-K474 PolarHBondContact O-N 2.94Å; A472-K474 PolarHBondContact O-N 3.37Å; K474-Q476 VanDerWaalsContact C-N 3.34Å; K474-Q476 PolarHBondContact O-N 3.22Å; K474-K477 WeakPolarHBondContact O-CA 3.48Å; K474-K477 WeakPolarHBondContact O-CB 3.45Å; K474-K477 PolarHBondContact O-N 3.37Å; K474-E478 WeakPolarHBondContact CG-OE2 3.4Å; K474-E478 IonicContact NZ-OE1 3.39Å; K474-E478 PolarHBondContact NZ-OE1 2.98Å; K474-E478 IonicContact NZ-OE2 3.87Å; K474-E478 PolarHBondContact NZ-OE2 3.22Å; K474-E478 PolarHBondContact O-N 2.96Å |
| 475 | G | 59.8 | Low | 62.4 | Low | 29 Ų | 29 | 121.3 Ų | 121.3 | 30% | 0.299 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -58.9 | -40.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R471 A472 K477 Q479 | R471-G475 PolarHBondContact O-N 2.99Å; A472-G475 PolarHBondContact O-N 2.81Å; G475-K477 VanDerWaalsContact C-N 3.32Å; G475-K477 PolarHBondContact O-N 3.02Å; G475-Q479 WeakPolarHBondContact O-CG 3.41Å; G475-Q479 PolarHBondContact O-N 3.22Å |
| 476 | Q | 58.6 | Low | 62 | Low | 148 Ų | 148 | 122.2 Ų | 122.2 | 69% | 0.692 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.6 | -26.1 | 173.5 | -71.7 | -155.5 | -9.2 | 0 | 0 | 113.7 | A472 K474 K480 | A472-Q476 PolarHBondContact O-N 2.66Å; A472-Q476 VanDerWaalsContact O-N 3.15Å; K474-Q476 VanDerWaalsContact C-N 3.34Å; K474-Q476 PolarHBondContact O-N 3.22Å; Q476-K480 VanDerWaalsContact O-CB 3.3Å; Q476-K480 WeakPolarHBondContact O-CB 3.47Å; Q476-K480 PolarHBondContact O-N 3.21Å |
| 477 | K | 59.3 | Low | 61.4 | Low | 149 Ų | 149 | 123.5 Ų | 123.5 | 65% | 0.648 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -71.9 | -45.9 | 174 | -162.5 | 179.1 | 179.2 | -171.6 | 0 | 111 | A473 K474 G475 K480 E481 | A473-K477 PolarHBondContact O-N 2.96Å; K474-K477 WeakPolarHBondContact O-CA 3.48Å; K474-K477 WeakPolarHBondContact O-CB 3.45Å; K474-K477 PolarHBondContact O-N 3.37Å; G475-K477 VanDerWaalsContact C-N 3.32Å; G475-K477 PolarHBondContact O-N 3.02Å; K477-K480 PolarHBondContact O-N 3.03Å; K477-E481 WeakPolarHBondContact O-CB 3.3Å; K477-E481 PolarHBondContact O-N 3.49Å |
| 478 | E | 57.2 | Low | 60.8 | Low | 93 Ų | 93 | 125.6 Ų | 125.6 | 44% | 0.435 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -63.2 | -44.4 | 177 | -74 | 170.5 | 130.4 | 0 | 0 | 111.5 | K474 K480 E481 T482 | K474-E478 WeakPolarHBondContact CG-OE2 3.4Å; K474-E478 IonicContact NZ-OE1 3.39Å; K474-E478 PolarHBondContact NZ-OE1 2.98Å; K474-E478 IonicContact NZ-OE2 3.87Å; K474-E478 PolarHBondContact NZ-OE2 3.22Å; K474-E478 PolarHBondContact O-N 2.96Å; E478-K480 VanDerWaalsContact C-N 3.27Å; E478-K480 PolarHBondContact O-N 2.95Å; E478-E481 PolarHBondContact O-N 3.07Å; E478-E481 VanDerWaalsContact O-N 3.07Å; E478-T482 PolarHBondContact O-N 3.29Å; E478-T482 PolarHBondContact O-OG1 3.06Å |
| 479 | Q | 53.8 | Low | 60.1 | Low | 141 Ų | 141 | 127.2 Ų | 127.2 | 66% | 0.659 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -60.6 | -33.1 | 174.2 | -76.6 | -176.2 | -12.8 | 0 | 0 | 113.8 | G475 E481 T482 | G475-Q479 WeakPolarHBondContact O-CG 3.41Å; G475-Q479 PolarHBondContact O-N 3.22Å; Q479-E481 VanDerWaalsContact C-N 3.34Å; Q479-T482 WeakPolarHBondContact CA-OG1 3.49Å; Q479-T482 PolarHBondContact O-OG1 3.17Å |
| 480 | K | 56.4 | Low | 59.1 | Low | 166 Ų | 166 | 130.1 Ų | 130.1 | 72% | 0.722 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -77.6 | -20.4 | 177 | -171.9 | 170.6 | -177.9 | 175.4 | 0 | 113 | Q476 K477 E478 | Q476-K480 VanDerWaalsContact O-CB 3.3Å; Q476-K480 WeakPolarHBondContact O-CB 3.47Å; Q476-K480 PolarHBondContact O-N 3.21Å; K477-K480 PolarHBondContact O-N 3.03Å; E478-K480 VanDerWaalsContact C-N 3.27Å; E478-K480 PolarHBondContact O-N 2.95Å |
| 481 | E | 55.1 | Low | 58.5 | Low | 115 Ų | 115 | 131.2 Ų | 131.2 | 54% | 0.537 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -87.1 | -38.1 | 177.5 | -161.6 | 147 | -146.5 | 0 | 0 | 110.9 | K477 E478 Q479 L483 R484 | K477-E481 WeakPolarHBondContact O-CB 3.3Å; K477-E481 PolarHBondContact O-N 3.49Å; E478-E481 PolarHBondContact O-N 3.07Å; E478-E481 VanDerWaalsContact O-N 3.07Å; Q479-E481 VanDerWaalsContact C-N 3.34Å; E481-L483 PolarHBondContact O-N 3.22Å; E481-R484 PolarHBondContact O-N 3.46Å; E481-R484 VanDerWaalsContact O-N 3.17Å |
| 482 | T | 53.7 | Low | 57.7 | Low | 110 Ų | 110 | 127.4 Ų | 127.4 | 68% | 0.675 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -12.3 | 171.3 | 52.5 | 0 | 0 | 0 | 0 | 114.8 | E478 Q479 | E478-T482 PolarHBondContact O-N 3.29Å; E478-T482 PolarHBondContact O-OG1 3.06Å; Q479-T482 WeakPolarHBondContact CA-OG1 3.49Å; Q479-T482 PolarHBondContact O-OG1 3.17Å |
| 483 | L | 53.6 | Low | 56.7 | Low | 163 Ų | 163 | 132.3 Ų | 132.3 | 85% | 0.853 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 10.9 | 175.4 | -155.1 | 77 | 0 | 0 | 0 | 112.7 | E481 | E481-L483 PolarHBondContact O-N 3.22Š|
| 484 | R | 53 | Low | 55.8 | Low | 220 Ų | 220 | 138.2 Ų | 138.2 | 83% | 0.83 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.1 | -12.3 | -173.6 | -171 | 171.2 | 178.6 | -144 | -5.3 | 114.7 | E481 | E481-R484 PolarHBondContact O-N 3.46Å; E481-R484 VanDerWaalsContact O-N 3.17Å |
| 485 | N | 47.2 | Very low | 55.3 | Low | 205 Ų | 205 | 139.9 Ų | 139.9 | 100% | 1.096 | 68% | 0.677 | S | S | * | * | trans | -108.3 | 0 | 177.9 | -63.8 | -22.7 | 0 | 0 | 0 | 110.5 |
Retrieved 485 of 485 residues in 1664.7 ms
(Link to these results)