| 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 | 38.8 | Very low | 36.3 | Very low | 232 Ų | 232 | 141.8 Ų | 141.8 | 100% | 1.143 | 79% | 0.787 | S | S | * | * | 0 | 108.1 | 0 | -65.6 | 154.6 | 179.5 | 0 | 0 | 105.1 | |||||
| 2 | V | 36.1 | Very low | 35.9 | Very low | 136 Ų | 136 | 138 Ų | 138 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | cis | 66.3 | 119.9 | 48.5 | -174.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 3 | S | 34.6 | Very low | 37.9 | Very low | 84 Ų | 84 | 136.6 Ų | 136.6 | 59% | 0.587 | 79% | 0.787 | S | S | * | * | cis | -166.4 | 157.2 | -8.5 | -116.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 4 | E | 36.3 | Very low | 39.2 | Very low | 170 Ų | 170 | 135.7 Ų | 135.7 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | 60.3 | -179 | 143.6 | -69 | 156.7 | 101.5 | 0 | 0 | 121 | ||||
| 5 | S | 40.7 | Very low | 38.9 | Very low | 87 Ų | 87 | 132 Ų | 132 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | -175.7 | 166.9 | -110.5 | 52.5 | 0 | 0 | 0 | 0 | 114 | |||||
| 6 | H | 40.3 | Very low | 38.5 | Very low | 154 Ų | 154 | 131.5 Ų | 131.5 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | 62 | 133.9 | 162.4 | -67.7 | -79 | 0 | 0 | 0 | 119.6 | ||||
| 7 | H | 36.8 | Very low | 38.1 | Very low | 185 Ų | 185 | 131.8 Ų | 131.8 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | -169.1 | 176.4 | 96.7 | -113 | -80.7 | 0 | 0 | 0 | 113.5 | |||||
| 8 | E | 33.3 | Very low | 37.9 | Very low | 159 Ų | 159 | 132.2 Ų | 132.2 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | -152.9 | 138.5 | -149.3 | -176.7 | -176.9 | 140.9 | 0 | 0 | 114.7 | ||||
| 9 | A | 33.5 | Very low | 37.5 | Very low | 86 Ų | 86 | 130.3 Ų | 130.3 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | 59.9 | -176.3 | 152.5 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 10 | L | 35.2 | Very low | 37.1 | Very low | 174 Ų | 174 | 129.2 Ų | 129.2 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | trans | 84.5 | 140.4 | 177.5 | -60.4 | 161.6 | 0 | 0 | 0 | 116.6 | ||||
| 11 | A | 33.5 | Very low | 36.9 | Very low | 93 Ų | 93 | 127.5 Ų | 127.5 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | cis | -157.5 | -171.3 | -9.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 12 | A | 31.9 | Very low | 37.9 | Very low | 96 Ų | 96 | 122.1 Ų | 122.1 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | trans | -133 | -143.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 13 | P | 61.4 | Low | 38.5 | Very low | 120 Ų | 120 | 121.4 Ų | 121.4 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | -86.3 | -176.3 | -129.8 | 44.9 | -36 | 0 | 0 | 0 | 114.8 | |||||
| 14 | P | 56.3 | Low | 38.4 | Very low | 124 Ų | 124 | 122.8 Ų | 122.8 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | cis | -141.2 | -143.7 | 25.5 | 41.1 | -15 | 0 | 0 | 0 | 114 | ||||
| 15 | A | 34.8 | Very low | 38.1 | Very low | 80 Ų | 80 | 122.5 Ų | 122.5 | 66% | 0.661 | 79% | 0.785 | S | S | * | * | cis | -161.7 | 146.6 | 5.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 16 | T | 32.2 | Very low | 37.7 | Very low | 124 Ų | 124 | 124.1 Ų | 124.1 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | 38.8 | 130.3 | 128.2 | -39.5 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 17 | T | 32.2 | Very low | 37.1 | Very low | 137 Ų | 137 | 123.6 Ų | 123.6 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | 163.2 | 167.9 | 137.2 | 31.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 18 | V | 34.3 | Very low | 36.9 | Very low | 138 Ų | 138 | 123.3 Ų | 123.3 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | cis | -156.4 | 170.3 | -41.1 | 128.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 19 | A | 30.8 | Very low | 37.6 | Very low | 97 Ų | 97 | 121.3 Ų | 121.3 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | -127.1 | 169.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 20 | A | 29.4 | Very low | 37.3 | Very low | 107 Ų | 107 | 122.2 Ų | 122.2 | 88% | 0.884 | 81% | 0.806 | S | S | * | * | trans | -159.4 | 158.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 21 | A | 33.5 | Very low | 37.3 | Very low | 95 Ų | 95 | 119.4 Ų | 119.4 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -162.5 | -170.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 22 | P | 58.3 | Low | 37.8 | Very low | 119 Ų | 119 | 121 Ų | 121 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | cis | -109.5 | -97.5 | -8.1 | 20.8 | 4.7 | 0 | 0 | 0 | 113.5 | ||||
| 23 | P | 48.8 | Very low | 37.7 | Very low | 121 Ų | 121 | 120.4 Ų | 120.4 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | cis | -108.6 | -136.7 | 3.8 | 44 | -33.1 | 0 | 0 | 0 | 114.3 | ||||
| 24 | S | 32.8 | Very low | 36.2 | Very low | 113 Ų | 113 | 118.7 Ų | 118.7 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | -154.4 | 167.1 | -165 | 58.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 25 | N | 29.5 | Very low | 35 | Very low | 163 Ų | 163 | 116.6 Ų | 116.6 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | trans | -158 | 169.9 | 152 | -143.4 | -11.1 | 0 | 0 | 0 | 113.8 | ||||
| 26 | V | 33.1 | Very low | 35.2 | Very low | 121 Ų | 121 | 116.3 Ų | 116.3 | 73% | 0.733 | 82% | 0.816 | S | S | * | * | trans | -135.8 | 146.1 | -160.9 | 177.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 27 | T | 28.3 | Very low | 35.9 | Very low | 143 Ų | 143 | 113.1 Ų | 113.1 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | -154 | 152.1 | 154.3 | -36.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 28 | E | 32.2 | Very low | 36.6 | Very low | 180 Ų | 180 | 115.6 Ų | 115.6 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | trans | -109.6 | 177.9 | -177.7 | -107.7 | -154.2 | 145.4 | 0 | 0 | 113.3 | ||||
| 29 | P | 47.4 | Very low | 37.4 | Very low | 117 Ų | 117 | 116.3 Ų | 116.3 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -99.4 | 176.9 | -151.9 | 39.9 | -39.7 | 0 | 0 | 0 | 116.8 | ||||
| 30 | A | 26.7 | Very low | 38.9 | Very low | 104 Ų | 104 | 115.9 Ų | 115.9 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -128.1 | 152.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 31 | S | 36.1 | Very low | 40.5 | Very low | 116 Ų | 116 | 114 Ų | 114 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | trans | -138.8 | 153.9 | 177.3 | -124.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 32 | P | 45 | Very low | 41.9 | Very low | 127 Ų | 127 | 116.1 Ų | 116.1 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | -157.9 | 163.3 | 80.4 | 40.7 | -21.2 | 0 | 0 | 0 | 118.5 | |||||
| 33 | G | 28.2 | Very low | 42.5 | Very low | 82 Ų | 82 | 113.1 Ų | 113.1 | 85% | 0.845 | 74% | 0.743 | S | S | * | * | trans | 81.4 | 152.2 | 151.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 34 | G | 29.9 | Very low | 43.5 | Very low | 84 Ų | 84 | 113.7 Ų | 113.7 | 87% | 0.866 | 73% | 0.733 | S | S | * | * | cis | 165.8 | 117.3 | -7.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 35 | G | 30.8 | Very low | 45.2 | Very low | 81 Ų | 81 | 114 Ų | 114 | 84% | 0.835 | 73% | 0.725 | S | S | * | * | trans | -175.6 | 60.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 36 | G | 41 | Very low | 46.9 | Very low | 74 Ų | 74 | 112.3 Ų | 112.3 | 76% | 0.763 | 71% | 0.71 | S | S | * | * | trans | -77.8 | -179.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 37 | G | 45.1 | Very low | 48.7 | Very low | 56 Ų | 56 | 112.9 Ų | 112.9 | 58% | 0.577 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 129.1 | -43.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 38 | K | 46.7 | Very low | 50.8 | Low | 189 Ų | 189 | 113.4 Ų | 113.4 | 82% | 0.822 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -96.1 | -36.3 | 178.1 | -79.7 | 178.5 | 172.7 | 171 | 0 | 113.4 | A41 F42 | K38-A41 PolarHBondContact O-N 3.01Å; K38-F42 PolarHBondContact O-N 2.83Å; K38-F42 VanDerWaalsContact O-N 3.14Å |
| 39 | E | 52.8 | Low | 52.4 | Low | 154 Ų | 154 | 111.5 Ų | 111.5 | 72% | 0.72 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -72.4 | -35.3 | -173 | -57.3 | -165.5 | 154.6 | 0 | 0 | 112.3 | A41 F42 S43 | E39-A41 PolarHBondContact O-N 3.21Å; E39-F42 PolarHBondContact O-N 3.1Å; E39-S43 WeakPolarHBondContact O-CB 3.19Å; E39-S43 PolarHBondContact O-N 3.05Å; E39-S43 PolarHBondContact O-OG 3.13Å |
| 40 | D | 61.7 | Low | 53.2 | Low | 88 Ų | 88 | 110.4 Ų | 110.4 | 47% | 0.471 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -61.5 | -42 | 174.6 | -57.9 | -79.5 | 0 | 0 | 0 | 112.7 | K44 | D40-K44 WeakPolarHBondContact O-CB 3.35Å; D40-K44 VanDerWaalsContact O-CG 3.31Å; D40-K44 WeakPolarHBondContact O-CG 3.26Å; D40-K44 PolarHBondContact O-N 3.26Å |
| 41 | A | 61.8 | Low | 55.2 | Low | 66 Ų | 66 | 110.6 Ų | 110.6 | 55% | 0.545 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -69.8 | -42.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | K38 E39 L45 | K38-A41 PolarHBondContact O-N 3.01Å; E39-A41 PolarHBondContact O-N 3.21Å; A41-L45 WeakPolarHBondContact O-CB 3.38Å; A41-L45 PolarHBondContact O-N 3.35Å; A41-L45 VanDerWaalsContact O-N 3.12Å |
| 42 | F | 64.8 | Low | 56.5 | Low | 141 Ų | 141 | 110.1 Ų | 110.1 | 62% | 0.618 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -66.1 | -40.8 | 175.2 | -172.3 | -104.7 | 0 | 0 | 0 | 111.9 | K38 E39 L45 K46 | K38-F42 PolarHBondContact O-N 2.83Å; K38-F42 VanDerWaalsContact O-N 3.14Å; E39-F42 PolarHBondContact O-N 3.1Å; F42-L45 PolarHBondContact O-N 2.96Å; F42-K46 VanDerWaalsContact O-CB 3.28Å; F42-K46 WeakPolarHBondContact O-CB 3.47Å; F42-K46 PolarHBondContact O-N 3.44Å |
| 43 | S | 69.6 | Low | 57.1 | Low | 56 Ų | 56 | 105.9 Ų | 105.9 | 39% | 0.392 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.7 | -46.9 | 179.4 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | E39 L45 K46 E47 | E39-S43 WeakPolarHBondContact O-CB 3.19Å; E39-S43 PolarHBondContact O-N 3.05Å; E39-S43 PolarHBondContact O-OG 3.13Å; S43-L45 VanDerWaalsContact C-N 3.26Å; S43-L45 PolarHBondContact O-N 3.07Å; S43-K46 WeakPolarHBondContact O-CB 3.34Å; S43-K46 PolarHBondContact O-N 3.15Å; S43-K46 VanDerWaalsContact O-N 3.12Å; S43-E47 WeakPolarHBondContact O-CG 3.5Å; S43-E47 PolarHBondContact O-N 3.38Å |
| 44 | K | 69.4 | Low | 58.5 | Low | 133 Ų | 133 | 107.8 Ų | 107.8 | 58% | 0.578 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.3 | -29.9 | 175.3 | -73.8 | 168.5 | -179.9 | 166 | 0 | 113 | D40 K48 | D40-K44 WeakPolarHBondContact O-CB 3.35Å; D40-K44 VanDerWaalsContact O-CG 3.31Å; D40-K44 WeakPolarHBondContact O-CG 3.26Å; D40-K44 PolarHBondContact O-N 3.26Å; K44-K48 WeakPolarHBondContact O-CG 3.11Å; K44-K48 PolarHBondContact O-N 3.35Å |
| 45 | L | 68.5 | Low | 60 | Low | 118 Ų | 118 | 110.2 Ų | 110.2 | 62% | 0.618 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -73.3 | -43.3 | 172.2 | -173.9 | 62.4 | 0 | 0 | 0 | 111.5 | A41 F42 S43 K48 F49 | A41-L45 WeakPolarHBondContact O-CB 3.38Å; A41-L45 PolarHBondContact O-N 3.35Å; A41-L45 VanDerWaalsContact O-N 3.12Å; F42-L45 PolarHBondContact O-N 2.96Å; S43-L45 VanDerWaalsContact C-N 3.26Å; S43-L45 PolarHBondContact O-N 3.07Å; L45-K48 PolarHBondContact O-N 3.06Å; L45-F49 WeakPolarHBondContact O-CB 3.31Å; L45-F49 PolarHBondContact O-N 2.84Å |
| 46 | K | 66.8 | Low | 61.4 | Low | 128 Ų | 128 | 110 Ų | 110 | 56% | 0.557 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.8 | -44.4 | 176.8 | -176.1 | -175.7 | 178 | -171.8 | 0 | 111.9 | F42 S43 F49 M50 | F42-K46 VanDerWaalsContact O-CB 3.28Å; F42-K46 WeakPolarHBondContact O-CB 3.47Å; F42-K46 PolarHBondContact O-N 3.44Å; S43-K46 WeakPolarHBondContact O-CB 3.34Å; S43-K46 PolarHBondContact O-N 3.15Å; S43-K46 VanDerWaalsContact O-N 3.12Å; K46-F49 PolarHBondContact O-N 3.06Å; K46-M50 WeakPolarHBondContact O-CB 3.23Å; K46-M50 VanDerWaalsContact O-CG 3.25Å; K46-M50 WeakPolarHBondContact O-CG 3.44Å; K46-M50 PolarHBondContact O-N 2.85Å |
| 47 | E | 71.1 | Confident | 62.1 | Low | 134 Ų | 134 | 112.7 Ų | 112.7 | 63% | 0.626 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.4 | -48.1 | 175.6 | -73.4 | 179.8 | 140.9 | 0 | 0 | 111.8 | S43 F49 M50 N51 | S43-E47 WeakPolarHBondContact O-CG 3.5Å; S43-E47 PolarHBondContact O-N 3.38Å; E47-F49 VanDerWaalsContact C-N 3.3Å; E47-F49 PolarHBondContact O-N 2.79Å; E47-M50 PolarHBondContact O-N 3.07Å; E47-N51 WeakPolarHBondContact O-CB 3.38Å; E47-N51 PolarHBondContact O-N 3.43Å |
| 48 | K | 70.7 | Confident | 62.9 | Low | 154 Ų | 154 | 113.9 Ų | 113.9 | 67% | 0.67 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -59.3 | -41.6 | 175 | -75.7 | -175.8 | 176.7 | -172.6 | 0 | 112 | K44 L45 N51 E52 | K44-K48 WeakPolarHBondContact O-CG 3.11Å; K44-K48 PolarHBondContact O-N 3.35Å; L45-K48 PolarHBondContact O-N 3.06Å; K48-N51 PolarHBondContact O-N 2.94Å; K48-E52 PolarHBondContact O-N 3.39Å; K48-E52 VanDerWaalsContact O-N 3.1Å |
| 49 | F | 66.8 | Low | 64 | Low | 139 Ų | 139 | 107.6 Ų | 107.6 | 61% | 0.61 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.2 | -44.4 | 178.7 | -164 | -108 | 0 | 0 | 0 | 112.1 | L45 K46 E47 N51 E52 L53 | L45-F49 WeakPolarHBondContact O-CB 3.31Å; L45-F49 PolarHBondContact O-N 2.84Å; K46-F49 PolarHBondContact O-N 3.06Å; E47-F49 VanDerWaalsContact C-N 3.3Å; E47-F49 PolarHBondContact O-N 2.79Å; F49-N51 VanDerWaalsContact C-N 3.34Å; F49-N51 PolarHBondContact O-N 2.95Å; F49-E52 PolarHBondContact O-N 2.95Å; F49-L53 HydrophobicContact CD1-CD1 3.67Å; F49-L53 HydrophobicContact CD1-CG 4.31Å; F49-L53 HydrophobicContact CE1-CD1 3.7Å; F49-L53 HydrophobicContact CE1-CG 4.27Å; F49-L53 WeakPolarHBondContact O-CB 3.35Å; F49-L53 VanDerWaalsContact O-CG 3.3Å; F49-L53 WeakPolarHBondContact O-CG 3.4Å; F49-L53 PolarHBondContact O-N 2.87Å |
| 50 | M | 63.5 | Low | 64.9 | Low | 95 Ų | 95 | 104.8 Ų | 104.8 | 47% | 0.468 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.6 | -37.1 | 175.1 | -69.2 | -66.6 | -66.1 | 0 | 0 | 112.5 | K46 E47 L53 N54 | K46-M50 WeakPolarHBondContact O-CB 3.23Å; K46-M50 VanDerWaalsContact O-CG 3.25Å; K46-M50 WeakPolarHBondContact O-CG 3.44Å; K46-M50 PolarHBondContact O-N 2.85Å; E47-M50 PolarHBondContact O-N 3.07Å; M50-L53 PolarHBondContact O-N 3.09Å; M50-L53 HydrophobicContact SD-CD1 4.17Å; M50-N54 VanDerWaalsContact O-CG 3.31Å; M50-N54 PolarHBondContact O-N 3.13Å |
| 51 | N | 68.8 | Low | 65.5 | Low | 107 Ų | 107 | 109.6 Ų | 109.6 | 57% | 0.572 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -73.7 | -26.9 | 180 | -157.6 | 17.4 | 0 | 0 | 0 | 113.1 | E47 K48 F49 | E47-N51 WeakPolarHBondContact O-CB 3.38Å; E47-N51 PolarHBondContact O-N 3.43Å; K48-N51 PolarHBondContact O-N 2.94Å; F49-N51 VanDerWaalsContact C-N 3.34Å; F49-N51 PolarHBondContact O-N 2.95Å |
| 52 | E | 63 | Low | 66 | Low | 106 Ų | 106 | 107.2 Ų | 107.2 | 50% | 0.495 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -77.4 | -39.2 | 167.2 | -68 | -54.6 | 138.6 | 0 | 0 | 112.2 | K48 F49 N54 K55 | K48-E52 PolarHBondContact O-N 3.39Å; K48-E52 VanDerWaalsContact O-N 3.1Å; F49-E52 PolarHBondContact O-N 2.95Å; E52-N54 VanDerWaalsContact C-N 3.27Å; E52-N54 PolarHBondContact O-N 3.49Å; E52-K55 WeakPolarHBondContact O-CB 3.44Å; E52-K55 PolarHBondContact O-N 2.86Å; E52-K55 VanDerWaalsContact O-N 3.07Å; E52-K55 IonicContact OE1-NZ 3.3Å; E52-K55 PolarHBondContact OE1-NZ 2.89Å; E52-K55 WeakPolarHBondContact OE2-CD 3.45Å; E52-K55 IonicContact OE2-NZ 2.64Å; E52-K55 PolarHBondContact OE2-NZ 3.13Å |
| 53 | L | 57.8 | Low | 66.4 | Low | 38 Ų | 38 | 101.7 Ų | 101.7 | 20% | 0.199 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -57.3 | -40.1 | 175.6 | -77 | 170.3 | 0 | 0 | 0 | 112.1 | F49 M50 K55 I56 L63 | F49-L53 HydrophobicContact CD1-CD1 3.67Å; F49-L53 HydrophobicContact CD1-CG 4.31Å; F49-L53 HydrophobicContact CE1-CD1 3.7Å; F49-L53 HydrophobicContact CE1-CG 4.27Å; F49-L53 WeakPolarHBondContact O-CB 3.35Å; F49-L53 VanDerWaalsContact O-CG 3.3Å; F49-L53 WeakPolarHBondContact O-CG 3.4Å; F49-L53 PolarHBondContact O-N 2.87Å; M50-L53 PolarHBondContact O-N 3.09Å; M50-L53 HydrophobicContact SD-CD1 4.17Å; L53-K55 PolarHBondContact O-N 2.98Å; L53-K55 VanDerWaalsContact O-N 3.16Å; L53-I56 HydrophobicContact CD2-CD1 4.45Å; L53-I56 WeakPolarHBondContact O-CB 3.38Å; L53-I56 PolarHBondContact O-N 3.05Å; L53-I56 VanDerWaalsContact O-N 3.07Å; L53-L63 HydrophobicContact CB-CD1 4.29Å; L53-L63 HydrophobicContact CD2-CB 4.24Å; L53-L63 HydrophobicContact CD2-CD1 4.1Å; L53-L63 HydrophobicContact CD2-CD2 4.11Å; L53-L63 HydrophobicContact CD2-CG 4.38Å |
| 54 | N | 58.3 | Low | 66.8 | Low | 122 Ų | 122 | 104 Ų | 104 | 65% | 0.652 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -9.6 | 178.4 | -73.8 | -12.8 | 0 | 0 | 0 | 114.7 | M50 E52 | M50-N54 VanDerWaalsContact O-CG 3.31Å; M50-N54 PolarHBondContact O-N 3.13Å; E52-N54 VanDerWaalsContact C-N 3.27Å; E52-N54 PolarHBondContact O-N 3.49Å |
| 55 | K | 61.2 | Low | 67 | Low | 136 Ų | 136 | 99.8 Ų | 99.8 | 59% | 0.591 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -11.8 | 172.5 | -60.6 | 176.1 | -168.5 | 167.1 | 0 | 113 | E52 L53 | E52-K55 WeakPolarHBondContact O-CB 3.44Å; E52-K55 PolarHBondContact O-N 2.86Å; E52-K55 VanDerWaalsContact O-N 3.07Å; E52-K55 IonicContact OE1-NZ 3.3Å; E52-K55 PolarHBondContact OE1-NZ 2.89Å; E52-K55 WeakPolarHBondContact OE2-CD 3.45Å; E52-K55 IonicContact OE2-NZ 2.64Å; E52-K55 PolarHBondContact OE2-NZ 3.13Å; L53-K55 PolarHBondContact O-N 2.98Å; L53-K55 VanDerWaalsContact O-N 3.16Å |
| 56 | I | 61 | Low | 67.6 | Low | 77 Ų | 77 | 99 Ų | 99 | 40% | 0.395 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -89.1 | 125.7 | -179.1 | -54.6 | 176.1 | 0 | 0 | 0 | 107.7 | L53 L58 L63 | L53-I56 HydrophobicContact CD2-CD1 4.45Å; L53-I56 WeakPolarHBondContact O-CB 3.38Å; L53-I56 PolarHBondContact O-N 3.05Å; L53-I56 VanDerWaalsContact O-N 3.07Å; I56-L58 HydrophobicContact CG2-CB 4.2Å; I56-L58 HydrophobicContact CG2-CD1 3.86Å; I56-L58 HydrophobicContact CG2-CG 3.94Å; I56-L58 PolarHBondContact O-N 3.21Å; I56-L63 HydrophobicContact CB-CD2 4.49Å; I56-L63 HydrophobicContact CD1-CD2 4.37Å; I56-L63 HydrophobicContact CG2-CD2 4.25Å |
| 57 | P | 55.8 | Low | 68 | Low | 129 Ų | 129 | 95.2 Ų | 95.2 | 84% | 0.838 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -78.7 | 56.3 | -176.7 | 33.7 | -37.3 | 0 | 0 | 0 | 112 | ||
| 58 | L | 60.8 | Low | 68.6 | Low | 82 Ų | 82 | 93.3 Ų | 93.3 | 43% | 0.429 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -129.8 | 141.3 | 178.3 | -69.1 | 176.6 | 0 | 0 | 0 | 109.9 | I56 L63 I66 | I56-L58 HydrophobicContact CG2-CB 4.2Å; I56-L58 HydrophobicContact CG2-CD1 3.86Å; I56-L58 HydrophobicContact CG2-CG 3.94Å; I56-L58 PolarHBondContact O-N 3.21Å; L58-L63 HydrophobicContact CB-CD2 4.06Å; L58-L63 HydrophobicContact CB-CG 4.21Å; L58-L63 HydrophobicContact CD1-CD2 4.14Å; L58-I66 HydrophobicContact CD1-CD1 4.27Å |
| 59 | P | 70.1 | Confident | 69.2 | Low | 56 Ų | 56 | 89.9 Ų | 89.9 | 36% | 0.364 | 48% | 0.477 | S | S | . | . | trans | -66.7 | 148.1 | -179.2 | 28.9 | -35.5 | 0 | 0 | 0 | 111.1 | W61 A62 L63 | P59-W61 HydrophobicContact CG-CD2 4.44Å; P59-W61 HydrophobicContact CG-CZ2 4.02Å; P59-W61 PolarHBondContact O-N 3.15Å; P59-A62 HydrophobicContact CG-CB 4.07Å; P59-A62 WeakPolarHBondContact O-CB 3.44Å; P59-A62 PolarHBondContact O-N 3.07Å; P59-L63 PolarHBondContact O-N 2.72Å | ||
| 60 | P | 70.9 | Confident | 69.9 | Low | 95 Ų | 95 | 85.2 Ų | 85.2 | 62% | 0.617 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -54.6 | -33.7 | -172.1 | -30.2 | 36.1 | 0 | 0 | 0 | 115.3 | A62 L63 I64 | P60-A62 VanDerWaalsContact C-N 3.31Å; P60-A62 PolarHBondContact O-N 3.36Å; P60-L63 PolarHBondContact O-N 3.13Å; P60-I64 WeakPolarHBondContact O-CG1 3.41Å; P60-I64 PolarHBondContact O-N 3.31Å |
| 61 | W | 75.6 | Confident | 71 | Confident | 189 Ų | 189 | 84.6 Ų | 84.6 | 72% | 0.716 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.8 | -33.8 | 176.9 | 67.9 | -101.4 | 0 | 0 | 0 | 113 | P59 I64 A65 | P59-W61 HydrophobicContact CG-CD2 4.44Å; P59-W61 HydrophobicContact CG-CZ2 4.02Å; P59-W61 PolarHBondContact O-N 3.15Å; W61-I64 PolarHBondContact O-N 2.89Å; W61-A65 WeakPolarHBondContact O-CB 3.34Å; W61-A65 PolarHBondContact O-N 3.47Å |
| 62 | A | 70.8 | Confident | 71.8 | Confident | 16 Ų | 16 | 84.3 Ų | 84.3 | 13% | 0.132 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -72.4 | -36.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | P59 P60 A65 I66 | P59-A62 HydrophobicContact CG-CB 4.07Å; P59-A62 WeakPolarHBondContact O-CB 3.44Å; P59-A62 PolarHBondContact O-N 3.07Å; P60-A62 VanDerWaalsContact C-N 3.31Å; P60-A62 PolarHBondContact O-N 3.36Å; A62-A65 PolarHBondContact O-N 3.04Å; A62-I66 WeakPolarHBondContact O-CD1 3.47Å; A62-I66 VanDerWaalsContact O-CG1 3.26Å; A62-I66 WeakPolarHBondContact O-CG1 3.45Å; A62-I66 PolarHBondContact O-N 2.83Å |
| 63 | L | 75.1 | Confident | 72.7 | Confident | 26 Ų | 26 | 84.5 Ų | 84.5 | 14% | 0.136 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -66.9 | -39.5 | 175.1 | -62.1 | 171.6 | 0 | 0 | 0 | 111.4 | L53 I56 L58 P59 P60 I66 A67 | L53-L63 HydrophobicContact CB-CD1 4.29Å; L53-L63 HydrophobicContact CD2-CB 4.24Å; L53-L63 HydrophobicContact CD2-CD1 4.1Å; L53-L63 HydrophobicContact CD2-CD2 4.11Å; L53-L63 HydrophobicContact CD2-CG 4.38Å; I56-L63 HydrophobicContact CB-CD2 4.49Å; I56-L63 HydrophobicContact CD1-CD2 4.37Å; I56-L63 HydrophobicContact CG2-CD2 4.25Å; L58-L63 HydrophobicContact CB-CD2 4.06Å; L58-L63 HydrophobicContact CB-CG 4.21Å; L58-L63 HydrophobicContact CD1-CD2 4.14Å; P59-L63 PolarHBondContact O-N 2.72Å; P60-L63 PolarHBondContact O-N 3.13Å; L63-I66 PolarHBondContact O-N 3.18Å; L63-A67 PolarHBondContact O-N 3.3Å |
| 64 | I | 76.1 | Confident | 74 | Confident | 105 Ų | 105 | 87.8 Ų | 87.8 | 54% | 0.538 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 171.6 | -67.2 | 165.3 | 0 | 0 | 0 | 111 | P60 W61 I66 A67 I68 | P60-I64 WeakPolarHBondContact O-CG1 3.41Å; P60-I64 PolarHBondContact O-N 3.31Å; W61-I64 PolarHBondContact O-N 2.89Å; I64-I66 PolarHBondContact O-N 3.11Å; I64-A67 PolarHBondContact O-N 2.95Å; I64-I68 HydrophobicContact CG2-CD1 3.93Å; I64-I68 WeakPolarHBondContact O-CG1 3.42Å; I64-I68 PolarHBondContact O-N 2.84Å |
| 65 | A | 74.6 | Confident | 75.3 | Confident | 43 Ų | 43 | 87 Ų | 87 | 36% | 0.355 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | W61 A62 A67 I68 V69 | W61-A65 WeakPolarHBondContact O-CB 3.34Å; W61-A65 PolarHBondContact O-N 3.47Å; A62-A65 PolarHBondContact O-N 3.04Å; A65-A67 VanDerWaalsContact C-N 3.34Å; A65-A67 PolarHBondContact O-N 3.45Å; A65-I68 PolarHBondContact O-N 3.43Å; A65-V69 WeakPolarHBondContact O-CG2 3.48Å; A65-V69 PolarHBondContact O-N 3.17Å |
| 66 | I | 80.1 | Confident | 76.4 | Confident | 101 Ų | 101 | 84.3 Ų | 84.3 | 52% | 0.518 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 174.6 | -69.8 | 162.6 | 0 | 0 | 0 | 110.9 | L58 A62 L63 I64 V69 A70 | L58-I66 HydrophobicContact CD1-CD1 4.27Å; A62-I66 WeakPolarHBondContact O-CD1 3.47Å; A62-I66 VanDerWaalsContact O-CG1 3.26Å; A62-I66 WeakPolarHBondContact O-CG1 3.45Å; A62-I66 PolarHBondContact O-N 2.83Å; L63-I66 PolarHBondContact O-N 3.18Å; I64-I66 PolarHBondContact O-N 3.11Å; I66-V69 PolarHBondContact O-N 3.27Å; I66-A70 WeakPolarHBondContact O-CB 3.49Å; I66-A70 PolarHBondContact O-N 2.92Å |
| 67 | A | 76.9 | Confident | 77.3 | Confident | 49 Ų | 49 | 84 Ų | 84 | 41% | 0.405 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L63 I64 A65 A70 V71 | L63-A67 PolarHBondContact O-N 3.3Å; I64-A67 PolarHBondContact O-N 2.95Å; A65-A67 VanDerWaalsContact C-N 3.34Å; A65-A67 PolarHBondContact O-N 3.45Å; A67-A70 PolarHBondContact O-N 3.27Å; A67-V71 WeakPolarHBondContact O-CG2 3.08Å; A67-V71 PolarHBondContact O-N 3.25Å |
| 68 | I | 82.5 | Confident | 78.3 | Confident | 94 Ų | 94 | 80.9 Ų | 80.9 | 48% | 0.482 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 175.1 | -68.3 | 165.4 | 0 | 0 | 0 | 110.7 | I64 A65 A70 V71 L72 | I64-I68 HydrophobicContact CG2-CD1 3.93Å; I64-I68 WeakPolarHBondContact O-CG1 3.42Å; I64-I68 PolarHBondContact O-N 2.84Å; A65-I68 PolarHBondContact O-N 3.43Å; I68-A70 VanDerWaalsContact C-N 3.34Å; I68-A70 PolarHBondContact O-N 2.88Å; I68-V71 PolarHBondContact O-N 3.07Å; I68-L72 HydrophobicContact CG2-CD1 4.02Å; I68-L72 WeakPolarHBondContact O-CG 3.43Å; I68-L72 PolarHBondContact O-N 3.07Å |
| 69 | V | 84 | Confident | 79.1 | Confident | 82 Ų | 82 | 83.5 Ų | 83.5 | 50% | 0.497 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.7 | -41 | 176.1 | 171 | 0 | 0 | 0 | 0 | 111.3 | A65 I66 L72 L73 | A65-V69 WeakPolarHBondContact O-CG2 3.48Å; A65-V69 PolarHBondContact O-N 3.17Å; I66-V69 PolarHBondContact O-N 3.27Å; V69-L72 PolarHBondContact O-N 2.76Å; V69-L73 HydrophobicContact CG1-CD1 3.96Å; V69-L73 HydrophobicContact CG1-CG 4.44Å; V69-L73 WeakPolarHBondContact O-CB 3.38Å; V69-L73 VanDerWaalsContact O-CG 3.31Å; V69-L73 WeakPolarHBondContact O-CG 3.41Å; V69-L73 PolarHBondContact O-N 3.21Å |
| 70 | A | 82 | Confident | 79.4 | Confident | 42 Ų | 42 | 84.7 Ų | 84.7 | 35% | 0.347 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I66 A67 I68 L73 I74 | I66-A70 WeakPolarHBondContact O-CB 3.49Å; I66-A70 PolarHBondContact O-N 2.92Å; A67-A70 PolarHBondContact O-N 3.27Å; I68-A70 VanDerWaalsContact C-N 3.34Å; I68-A70 PolarHBondContact O-N 2.88Å; A70-L73 PolarHBondContact O-N 2.98Å; A70-I74 VanDerWaalsContact O-CG1 3.29Å; A70-I74 WeakPolarHBondContact O-CG1 3.49Å; A70-I74 PolarHBondContact O-N 3.25Å |
| 71 | V | 85.9 | Confident | 79.5 | Confident | 82 Ų | 82 | 84.9 Ų | 84.9 | 50% | 0.497 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 174.9 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | A67 I68 L73 I74 L75 | A67-V71 WeakPolarHBondContact O-CG2 3.08Å; A67-V71 PolarHBondContact O-N 3.25Å; I68-V71 PolarHBondContact O-N 3.07Å; V71-L73 PolarHBondContact O-N 3.29Å; V71-I74 PolarHBondContact O-N 2.94Å; V71-L75 HydrophobicContact CG1-CD1 3.87Å; V71-L75 HydrophobicContact CG1-CG 4.34Å; V71-L75 WeakPolarHBondContact O-CB 3.03Å; V71-L75 VanDerWaalsContact O-CG 3.31Å; V71-L75 WeakPolarHBondContact O-CG 2.88Å; V71-L75 PolarHBondContact O-N 3.03Å |
| 72 | L | 85.1 | Confident | 79.1 | Confident | 100 Ų | 100 | 79.5 Ų | 79.5 | 52% | 0.524 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 175.5 | -70 | 170.9 | 0 | 0 | 0 | 112.4 | I68 V69 L75 T76 | I68-L72 HydrophobicContact CG2-CD1 4.02Å; I68-L72 WeakPolarHBondContact O-CG 3.43Å; I68-L72 PolarHBondContact O-N 3.07Å; V69-L72 PolarHBondContact O-N 2.76Å; L72-L75 PolarHBondContact O-N 3.17Å; L72-T76 WeakPolarHBondContact O-CB 3.47Å; L72-T76 WeakPolarHBondContact O-CG2 3.33Å; L72-T76 PolarHBondContact O-N 2.89Å; L72-T76 PolarHBondContact O-OG1 3.44Å |
| 73 | L | 82.9 | Confident | 78.8 | Confident | 111 Ų | 111 | 84.3 Ų | 84.3 | 58% | 0.581 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -66.9 | -37.6 | 173.4 | -73.7 | 169.5 | 0 | 0 | 0 | 112.3 | V69 A70 V71 T76 C77 | V69-L73 HydrophobicContact CG1-CD1 3.96Å; V69-L73 HydrophobicContact CG1-CG 4.44Å; V69-L73 WeakPolarHBondContact O-CB 3.38Å; V69-L73 VanDerWaalsContact O-CG 3.31Å; V69-L73 WeakPolarHBondContact O-CG 3.41Å; V69-L73 PolarHBondContact O-N 3.21Å; A70-L73 PolarHBondContact O-N 2.98Å; V71-L73 PolarHBondContact O-N 3.29Å; L73-T76 WeakPolarHBondContact CA-OG1 3.33Å; L73-T76 PolarHBondContact O-OG1 2.88Å; L73-C77 WeakPolarHBondContact O-CB 3.14Å; L73-C77 PolarHBondContact O-N 2.84Å |
| 74 | I | 85.3 | Confident | 78.1 | Confident | 107 Ų | 107 | 90.2 Ų | 90.2 | 55% | 0.549 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.3 | -47 | 174 | -69.5 | 163.5 | 0 | 0 | 0 | 110.6 | A70 V71 T76 C77 C78 | A70-I74 VanDerWaalsContact O-CG1 3.29Å; A70-I74 WeakPolarHBondContact O-CG1 3.49Å; A70-I74 PolarHBondContact O-N 3.25Å; V71-I74 PolarHBondContact O-N 2.94Å; I74-T76 PolarHBondContact O-N 1.83Å; I74-C77 PolarHBondContact O-N 2.49Å; I74-C78 WeakPolarHBondContact O-CB 3.43Å; I74-C78 PolarHBondContact O-N 2.9Å; I74-C78 PolarHBondContact O-SG 2.88Å; I74-C78 VanDerWaalsContact O-SG 3.33Å |
| 75 | L | 85.2 | Confident | 76.9 | Confident | 106 Ų | 106 | 89.7 Ų | 89.7 | 56% | 0.555 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.3 | -43.6 | 178.8 | -72.4 | 170.8 | 0 | 0 | 0 | 112.2 | V71 L72 C78 F79 | V71-L75 HydrophobicContact CG1-CD1 3.87Å; V71-L75 HydrophobicContact CG1-CG 4.34Å; V71-L75 WeakPolarHBondContact O-CB 3.03Å; V71-L75 VanDerWaalsContact O-CG 3.31Å; V71-L75 WeakPolarHBondContact O-CG 2.88Å; V71-L75 PolarHBondContact O-N 3.03Å; L72-L75 PolarHBondContact O-N 3.17Å; L75-C78 PolarHBondContact O-N 3.34Å; L75-F79 WeakPolarHBondContact O-CB 3.4Å; L75-F79 PolarHBondContact O-N 3.41Å |
| 76 | T | 83.1 | Confident | 75.7 | Confident | 79 Ų | 79 | 94.1 Ų | 94.1 | 49% | 0.485 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.4 | -35.3 | 175.2 | 51.2 | 0 | 0 | 0 | 0 | 112.4 | L72 L73 I74 F79 C80 | L72-T76 WeakPolarHBondContact O-CB 3.47Å; L72-T76 WeakPolarHBondContact O-CG2 3.33Å; L72-T76 PolarHBondContact O-N 2.89Å; L72-T76 PolarHBondContact O-OG1 3.44Å; L73-T76 WeakPolarHBondContact CA-OG1 3.33Å; L73-T76 PolarHBondContact O-OG1 2.88Å; I74-T76 PolarHBondContact O-N 1.83Å; T76-F79 PolarHBondContact O-N 2.82Å; T76-C80 WeakPolarHBondContact O-CB 3.47Å; T76-C80 PolarHBondContact O-N 2.96Å; T76-C80 PolarHBondContact O-SG 3.25Å |
| 77 | C | 80.1 | Confident | 74.1 | Confident | 70 Ų | 70 | 96.6 Ų | 96.6 | 47% | 0.473 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.5 | -47 | 171.7 | -171.1 | 0 | 0 | 0 | 0 | 111.7 | L73 I74 F79 C80 L81 | L73-C77 WeakPolarHBondContact O-CB 3.14Å; L73-C77 PolarHBondContact O-N 2.84Å; I74-C77 PolarHBondContact O-N 2.49Å; C77-F79 PolarHBondContact O-N 3.15Å; C77-C80 WeakPolarHBondContact O-CB 3.39Å; C77-C80 PolarHBondContact O-N 3.47Å; C77-L81 WeakPolarHBondContact O-CG 3.13Å; C77-L81 PolarHBondContact O-N 3.4Å |
| 78 | C | 78.1 | Confident | 72.5 | Confident | 64 Ų | 64 | 102.2 Ų | 102.2 | 43% | 0.432 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59 | -45 | 174.3 | -72.7 | 0 | 0 | 0 | 0 | 111.9 | I74 L75 C80 L81 C82 | I74-C78 WeakPolarHBondContact O-CB 3.43Å; I74-C78 PolarHBondContact O-N 2.9Å; I74-C78 PolarHBondContact O-SG 2.88Å; I74-C78 VanDerWaalsContact O-SG 3.33Å; L75-C78 PolarHBondContact O-N 3.34Å; C78-C80 PolarHBondContact O-N 3.24Å; C78-L81 PolarHBondContact O-N 2.81Å; C78-C82 WeakPolarHBondContact O-CB 3.29Å; C78-C82 PolarHBondContact O-N 3.12Å; C78-C82 PolarHBondContact O-SG 3.45Å; C78-C82 VanDerWaalsContact O-SG 3.33Å |
| 79 | F | 76.9 | Confident | 70.2 | Confident | 137 Ų | 137 | 107.1 Ų | 107.1 | 60% | 0.601 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.7 | -44.9 | 175.4 | -175.4 | -103 | 0 | 0 | 0 | 112 | L75 T76 C77 L81 C82 K83 | L75-F79 WeakPolarHBondContact O-CB 3.4Å; L75-F79 PolarHBondContact O-N 3.41Å; T76-F79 PolarHBondContact O-N 2.82Å; C77-F79 PolarHBondContact O-N 3.15Å; F79-L81 PolarHBondContact O-N 3.05Å; F79-C82 PolarHBondContact O-N 3.13Å; F79-K83 HydrophobicContact CE1-CD 4.37Å; F79-K83 WeakPolarHBondContact O-CB 3.49Å; F79-K83 PolarHBondContact O-N 2.64Å |
| 80 | C | 75.3 | Confident | 67.9 | Low | 80 Ų | 80 | 112.3 Ų | 112.3 | 54% | 0.541 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -59.9 | -42.4 | 173.8 | -78.4 | 0 | 0 | 0 | 0 | 112.5 | T76 C77 C78 K84 | T76-C80 WeakPolarHBondContact O-CB 3.47Å; T76-C80 PolarHBondContact O-N 2.96Å; T76-C80 PolarHBondContact O-SG 3.25Å; C77-C80 WeakPolarHBondContact O-CB 3.39Å; C77-C80 PolarHBondContact O-N 3.47Å; C78-C80 PolarHBondContact O-N 3.24Å; C80-K84 WeakPolarHBondContact O-CB 3.5Å; C80-K84 PolarHBondContact O-N 2.98Å |
| 81 | L | 73.5 | Confident | 65.5 | Low | 99 Ų | 99 | 117.5 Ų | 117.5 | 52% | 0.518 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.6 | -46.1 | 176.7 | -71.6 | 169.3 | 0 | 0 | 0 | 111.5 | C77 C78 F79 K83 K84 C85 | C77-L81 WeakPolarHBondContact O-CG 3.13Å; C77-L81 PolarHBondContact O-N 3.4Å; C78-L81 PolarHBondContact O-N 2.81Å; F79-L81 PolarHBondContact O-N 3.05Å; L81-K83 PolarHBondContact O-N 3.35Å; L81-K84 PolarHBondContact O-N 3.38Å; L81-C85 WeakPolarHBondContact O-CB 3.34Å; L81-C85 PolarHBondContact O-N 2.95Å; L81-C85 PolarHBondContact O-SG 3.11Å; L81-C85 VanDerWaalsContact O-SG 3.4Å |
| 82 | C | 67.8 | Low | 62.9 | Low | 76 Ų | 76 | 123 Ų | 123 | 51% | 0.514 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -57.9 | -47.8 | 174.8 | -71.4 | 0 | 0 | 0 | 0 | 111.8 | C78 F79 K84 C85 L86 | C78-C82 WeakPolarHBondContact O-CB 3.29Å; C78-C82 PolarHBondContact O-N 3.12Å; C78-C82 PolarHBondContact O-SG 3.45Å; C78-C82 VanDerWaalsContact O-SG 3.33Å; F79-C82 PolarHBondContact O-N 3.13Å; C82-K84 VanDerWaalsContact C-N 3.34Å; C82-K84 PolarHBondContact O-N 2.87Å; C82-C85 PolarHBondContact O-N 2.6Å; C82-L86 WeakPolarHBondContact O-CG 3.46Å; C82-L86 PolarHBondContact O-N 2.83Å |
| 83 | K | 64.9 | Low | 60.4 | Low | 118 Ų | 118 | 127.7 Ų | 127.7 | 51% | 0.513 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -61.6 | -40.7 | 176.9 | -157.4 | 166.3 | -172.9 | 171.8 | 0 | 111.4 | F79 L81 C85 L86 F87 | F79-K83 HydrophobicContact CE1-CD 4.37Å; F79-K83 WeakPolarHBondContact O-CB 3.49Å; F79-K83 PolarHBondContact O-N 2.64Å; L81-K83 PolarHBondContact O-N 3.35Å; K83-C85 PolarHBondContact O-N 3.23Å; K83-L86 PolarHBondContact O-N 3.25Å; K83-F87 HydrophobicContact CG-CD2 4.04Å; K83-F87 HydrophobicContact CG-CE2 4.09Å; K83-F87 WeakPolarHBondContact O-CD2 3.35Å; K83-F87 PolarHBondContact O-N 3.35Å; K83-F87 VanDerWaalsContact O-N 3.11Å |
| 84 | K | 59 | Low | 57.7 | Low | 150 Ų | 150 | 132.5 Ų | 132.5 | 65% | 0.652 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -71.1 | -25 | 178.4 | -157.8 | 169 | -165.8 | 170.4 | 0 | 113.7 | C80 L81 C82 K88 | C80-K84 WeakPolarHBondContact O-CB 3.5Å; C80-K84 PolarHBondContact O-N 2.98Å; L81-K84 PolarHBondContact O-N 3.38Å; C82-K84 VanDerWaalsContact C-N 3.34Å; C82-K84 PolarHBondContact O-N 2.87Å; K84-K88 WeakPolarHBondContact O-CG 3.26Å |
| 85 | C | 52.5 | Low | 54.9 | Low | 94 Ų | 94 | 131.4 Ų | 131.4 | 64% | 0.635 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -80.6 | -43.9 | 172.5 | -74.5 | 0 | 0 | 0 | 0 | 112.4 | L81 C82 K83 K88 | L81-C85 WeakPolarHBondContact O-CB 3.34Å; L81-C85 PolarHBondContact O-N 2.95Å; L81-C85 PolarHBondContact O-SG 3.11Å; L81-C85 VanDerWaalsContact O-SG 3.4Å; C82-C85 PolarHBondContact O-N 2.6Å; K83-C85 PolarHBondContact O-N 3.23Å; C85-K88 PolarHBondContact O-N 3.42Å |
| 86 | L | 49.2 | Very low | 52.1 | Low | 135 Ų | 135 | 134.9 Ų | 134.9 | 71% | 0.707 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -64.4 | -48.7 | 179.7 | -71.7 | 167.3 | 0 | 0 | 0 | 112.1 | C82 K83 K88 K89 | C82-L86 WeakPolarHBondContact O-CG 3.46Å; C82-L86 PolarHBondContact O-N 2.83Å; K83-L86 PolarHBondContact O-N 3.25Å; L86-K88 PolarHBondContact O-N 3.2Å; L86-K89 PolarHBondContact O-N 2.79Å |
| 87 | F | 46.1 | Very low | 49.5 | Very low | 153 Ų | 153 | 136.8 Ų | 136.8 | 67% | 0.671 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -68.4 | -19.6 | -179.5 | -84 | -95.5 | 0 | 0 | 0 | 114 | K83 K89 | K83-F87 HydrophobicContact CG-CD2 4.04Å; K83-F87 HydrophobicContact CG-CE2 4.09Å; K83-F87 WeakPolarHBondContact O-CD2 3.35Å; K83-F87 PolarHBondContact O-N 3.35Å; K83-F87 VanDerWaalsContact O-N 3.11Å; F87-K89 PolarHBondContact O-N 3.25Å |
| 88 | K | 42.5 | Very low | 47 | Very low | 168 Ų | 168 | 142.1 Ų | 142.1 | 73% | 0.73 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -68.2 | -15.3 | 177.5 | -101.2 | -176.4 | 175 | -176.7 | 0 | 114.4 | K84 C85 L86 | K84-K88 WeakPolarHBondContact O-CG 3.26Å; C85-K88 PolarHBondContact O-N 3.42Å; L86-K88 PolarHBondContact O-N 3.2Å |
| 89 | K | 34.8 | Very low | 44.6 | Very low | 196 Ų | 196 | 143 Ų | 143 | 85% | 0.852 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -87.8 | -15.8 | -173.6 | -142.1 | 175.2 | -175.6 | -177.9 | 0 | 114.6 | L86 F87 | L86-K89 PolarHBondContact O-N 2.79Å; F87-K89 PolarHBondContact O-N 3.25Å |
| 90 | K | 34.9 | Very low | 42.2 | Very low | 192 Ų | 192 | 140.3 Ų | 140.3 | 84% | 0.835 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -24.4 | -171.8 | -147.4 | 171.2 | -175.4 | -179.4 | 0 | 115.4 | ||
| 91 | N | 32.3 | Very low | 40.2 | Very low | 150 Ų | 150 | 146 Ų | 146 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -104.9 | 22.1 | -169.9 | -73.9 | 15.6 | 0 | 0 | 0 | 116.1 | ||
| 92 | K | 32.1 | Very low | 38 | Very low | 197 Ų | 197 | 149.1 Ų | 149.1 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | trans | -104.8 | 48.2 | -175.7 | -154.3 | -175.4 | 179 | -175.9 | 0 | 114.8 | ||||
| 93 | K | 31.8 | Very low | 36.6 | Very low | 199 Ų | 199 | 150.2 Ų | 150.2 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -153.9 | 67.7 | 172.7 | -155 | 178.2 | -174.9 | -178.3 | 0 | 116.3 | ||
| 94 | K | 25.7 | Very low | 35.2 | Very low | 213 Ų | 213 | 151.4 Ų | 151.4 | 93% | 0.926 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 177.1 | 153.1 | 145.1 | -100.6 | 166.4 | -176.9 | -176.1 | 0 | 110.1 | ||
| 95 | G | 27.6 | Very low | 34 | Very low | 84 Ų | 84 | 150.5 Ų | 150.5 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | trans | 84.5 | 114.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 96 | K | 26.3 | Very low | 33.4 | Very low | 178 Ų | 178 | 153.2 Ų | 153.2 | 77% | 0.774 | 79% | 0.793 | S | S | * | * | trans | -144.2 | 148 | 167.2 | -171.2 | -149.6 | 172 | -149.8 | 0 | 107.3 | ||||
| 97 | E | 27.9 | Very low | 32.9 | Very low | 119 Ų | 119 | 155.2 Ų | 155.2 | 56% | 0.556 | 80% | 0.796 | S | S | * | * | trans | 74 | 151.8 | 178.5 | -46.5 | -164.9 | 176.8 | 0 | 0 | 114.1 | ||||
| 98 | K | 28.5 | Very low | 32.8 | Very low | 183 Ų | 183 | 152.3 Ų | 152.3 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | cis | -140.3 | 156.1 | 1.6 | -133.8 | 146.1 | -173.1 | 148.4 | 0 | 109.5 | ||||
| 99 | G | 26.7 | Very low | 33 | Very low | 81 Ų | 81 | 148 Ų | 148 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | trans | -97.2 | 156.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 100 | G | 26 | Very low | 33.1 | Very low | 81 Ų | 81 | 147.5 Ų | 147.5 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | trans | -161.5 | 138.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 101 | K | 34.4 | Very low | 33.4 | Very low | 201 Ų | 201 | 143.7 Ų | 143.7 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | -92.3 | 149.4 | 169 | -59.5 | 174.3 | -178.9 | 174.3 | 0 | 108.5 | ||||
| 102 | N | 26.8 | Very low | 33.9 | Very low | 163 Ų | 163 | 141.2 Ų | 141.2 | 87% | 0.872 | 75% | 0.748 | S | S | * | * | trans | -168.4 | 160.9 | 136.5 | -100.5 | -17.8 | 0 | 0 | 0 | 112.4 | ||||
| 103 | A | 37.7 | Very low | 34.2 | Very low | 100 Ų | 100 | 133.9 Ų | 133.9 | 83% | 0.826 | 73% | 0.728 | S | S | * | * | trans | -81.6 | 158.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 104 | I | 37.1 | Very low | 34.5 | Very low | 143 Ų | 143 | 130.5 Ų | 130.5 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | trans | -121.6 | 144.7 | -171.1 | -51.9 | -179 | 0 | 0 | 0 | 109.4 | D108 | I104-D108 HydrophobicContact CG2-CB 3.91Å; I104-D108 VanDerWaalsContact CG2-OD2 3.26Å; I104-D108 WeakPolarHBondContact CG2-OD2 3.45Å | ||
| 105 | N | 33.8 | Very low | 34.9 | Very low | 131 Ų | 131 | 124.6 Ų | 124.6 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | trans | -116.1 | 178.4 | -176.7 | -161 | -85.9 | 0 | 0 | 0 | 111 | K107 D108 | N105-K107 PolarHBondContact O-N 2.91Å; N105-D108 VanDerWaalsContact O-OD2 3.06Å | ||
| 106 | M | 38.5 | Very low | 35.6 | Very low | 151 Ų | 151 | 126.6 Ų | 126.6 | 74% | 0.744 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 36.1 | -166.6 | -164.1 | 147.2 | 57.7 | 0 | 0 | 114.4 | ||
| 107 | K | 40.4 | Very low | 36.2 | Very low | 177 Ų | 177 | 124.5 Ų | 124.5 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | -35.3 | 171.9 | -78.5 | -176.5 | 174.3 | 178.5 | 0 | 113 | N105 V109 K110 | N105-K107 PolarHBondContact O-N 2.91Å; K107-V109 PolarHBondContact O-N 3.4Å; K107-V109 VanDerWaalsContact O-N 3.1Å; K107-K110 PolarHBondContact O-N 3Å |
| 108 | D | 42.6 | Very low | 36.6 | Very low | 92 Ų | 92 | 123.6 Ų | 123.6 | 49% | 0.492 | 67% | 0.674 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.2 | -15.5 | -167.4 | -48.8 | -73.8 | 0 | 0 | 0 | 114 | I104 N105 K110 | I104-D108 HydrophobicContact CG2-CB 3.91Å; I104-D108 VanDerWaalsContact CG2-OD2 3.26Å; I104-D108 WeakPolarHBondContact CG2-OD2 3.45Å; N105-D108 VanDerWaalsContact O-OD2 3.06Å; D108-K110 PolarHBondContact O-N 2.91Å |
| 109 | V | 47.3 | Very low | 36.9 | Very low | 77 Ų | 77 | 123.5 Ų | 123.5 | 47% | 0.467 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -66.3 | -26 | 176.7 | -171.9 | 0 | 0 | 0 | 0 | 112.2 | K107 F352 | K107-V109 PolarHBondContact O-N 3.4Å; K107-V109 VanDerWaalsContact O-N 3.1Å; V109-F352 HydrophobicContact CG1-CZ 4.31Å; V109-F352 HydrophobicContact CG2-CE1 4.08Å; V109-F352 HydrophobicContact CG2-CZ 3.76Å |
| 110 | K | 36.9 | Very low | 37.4 | Very low | 186 Ų | 186 | 123.5 Ų | 123.5 | 81% | 0.809 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -80.9 | -26.8 | -172.1 | -152.9 | 179.4 | -178.1 | -171.3 | 0 | 113.7 | K107 D108 | K107-K110 PolarHBondContact O-N 3Å; D108-K110 PolarHBondContact O-N 2.91Å |
| 111 | D | 40.9 | Very low | 37.9 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 60% | 0.599 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -84.3 | -32.6 | 173.9 | -79.6 | -35.4 | 0 | 0 | 0 | 112.5 | G113 K114 T115 | D111-G113 VanDerWaalsContact C-N 3.26Å; D111-G113 PolarHBondContact O-N 2.91Å; D111-K114 WeakPolarHBondContact O-CA 3.24Å; D111-K114 WeakPolarHBondContact O-CB 3.48Å; D111-K114 PolarHBondContact O-N 2.9Å; D111-T115 PolarHBondContact O-N 2.82Å; D111-T115 PolarHBondContact O-OG1 2.97Å; D111-T115 VanDerWaalsContact O-OG1 3.13Å |
| 112 | L | 42.8 | Very low | 38 | Very low | 97 Ų | 97 | 125 Ų | 125 | 51% | 0.508 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -60.9 | -35.5 | -179.6 | -167.5 | 68.2 | 0 | 0 | 0 | 112.7 | K114 M116 | L112-K114 PolarHBondContact O-N 2.97Å; L112-M116 PolarHBondContact O-N 2.95Å |
| 113 | G | 38.7 | Very low | 38.3 | Very low | 43 Ų | 43 | 125 Ų | 125 | 44% | 0.443 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -71.2 | -10.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D111 | D111-G113 VanDerWaalsContact C-N 3.26Å; D111-G113 PolarHBondContact O-N 2.91Å |
| 114 | K | 37.8 | Very low | 38.3 | Very low | 128 Ų | 128 | 127.9 Ų | 127.9 | 56% | 0.557 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -91.5 | -46.8 | 172.9 | -152 | -175 | -176.9 | -164.8 | 0 | 110.5 | D111 L112 M116 K117 D118 | D111-K114 WeakPolarHBondContact O-CA 3.24Å; D111-K114 WeakPolarHBondContact O-CB 3.48Å; D111-K114 PolarHBondContact O-N 2.9Å; L112-K114 PolarHBondContact O-N 2.97Å; K114-M116 PolarHBondContact O-N 2.9Å; K114-M116 VanDerWaalsContact O-N 3.15Å; K114-K117 WeakPolarHBondContact O-CA 3.18Å; K114-K117 WeakPolarHBondContact O-CB 3.46Å; K114-K117 PolarHBondContact O-N 2.82Å; K114-D118 PolarHBondContact O-N 2.86Å |
| 115 | T | 34.8 | Very low | 38.1 | Very low | 90 Ų | 90 | 129.4 Ų | 129.4 | 55% | 0.552 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -56.4 | -33.3 | 178.3 | -40.4 | 0 | 0 | 0 | 0 | 113.3 | D111 | D111-T115 PolarHBondContact O-N 2.82Å; D111-T115 PolarHBondContact O-OG1 2.97Å; D111-T115 VanDerWaalsContact O-OG1 3.13Å |
| 116 | M | 42.5 | Very low | 38 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 62% | 0.616 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -12.1 | 175.1 | -71.5 | -171.2 | 169.3 | 0 | 0 | 114.6 | L112 K114 | L112-M116 PolarHBondContact O-N 2.95Å; K114-M116 PolarHBondContact O-N 2.9Å; K114-M116 VanDerWaalsContact O-N 3.15Å |
| 117 | K | 37.1 | Very low | 37.6 | Very low | 134 Ų | 134 | 130.3 Ų | 130.3 | 58% | 0.583 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -33.2 | 176.6 | -165.8 | 173.8 | -177.7 | -177.4 | 0 | 112.1 | K114 Q119 A120 | K114-K117 WeakPolarHBondContact O-CA 3.18Å; K114-K117 WeakPolarHBondContact O-CB 3.46Å; K114-K117 PolarHBondContact O-N 2.82Å; K117-Q119 PolarHBondContact O-N 2.8Å; K117-Q119 VanDerWaalsContact O-N 3.07Å; K117-A120 PolarHBondContact O-N 3.01Å |
| 118 | D | 36.4 | Very low | 37.4 | Very low | 101 Ų | 101 | 128.5 Ų | 128.5 | 54% | 0.54 | 69% | 0.688 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.3 | -4.9 | 177 | -57.5 | -26.5 | 0 | 0 | 0 | 113.2 | K114 | K114-D118 PolarHBondContact O-N 2.86Š|
| 119 | Q | 35.1 | Very low | 36.8 | Very low | 181 Ų | 181 | 127.5 Ų | 127.5 | 85% | 0.846 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | 8.4 | 173.9 | -151.8 | 173.3 | 7.1 | 0 | 0 | 113.4 | K117 | K117-Q119 PolarHBondContact O-N 2.8Å; K117-Q119 VanDerWaalsContact O-N 3.07Å |
| 120 | A | 38.7 | Very low | 36.4 | Very low | 80 Ų | 80 | 132.4 Ų | 132.4 | 66% | 0.661 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -133.9 | 13 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K117 | K117-A120 PolarHBondContact O-N 3.01Š|
| 121 | L | 35.8 | Very low | 36 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 68% | 0.681 | 72% | 0.723 | S | S | * | * | trans | -142.2 | 66.7 | 177.8 | -73.5 | 175.7 | 0 | 0 | 0 | 110.4 | ||||
| 122 | K | 36.1 | Very low | 35.8 | Very low | 185 Ų | 185 | 132.9 Ų | 132.9 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | trans | -150.1 | 95.6 | 161.5 | -80 | -165.2 | 174.3 | -170.6 | 0 | 107 | ||||
| 123 | D | 32.7 | Very low | 35.2 | Very low | 163 Ų | 163 | 131.4 Ų | 131.4 | 87% | 0.872 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 168.5 | 70.2 | 159.8 | -84.4 | -17.8 | 0 | 0 | 0 | 106.7 | ||
| 124 | D | 38.8 | Very low | 35.1 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | trans | -174.1 | 105.4 | 168.4 | -98.8 | -30.8 | 0 | 0 | 0 | 106.5 | ||||
| 125 | D | 32.2 | Very low | 34.9 | Very low | 176 Ų | 176 | 141.2 Ų | 141.2 | 94% | 0.941 | 78% | 0.783 | S | S | * | * | trans | 144 | 75.9 | 166.9 | -83.2 | -18.7 | 0 | 0 | 0 | 110.8 | ||||
| 126 | A | 32.2 | Very low | 34.9 | Very low | 105 Ų | 105 | 145.6 Ų | 145.6 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | trans | -145.6 | 110 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 127 | E | 30.1 | Very low | 34.6 | Very low | 195 Ų | 195 | 148.5 Ų | 148.5 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | trans | -78 | 163.6 | -173.3 | -162.4 | 172.9 | 166.9 | 0 | 0 | 112.7 | ||||
| 128 | T | 36.5 | Very low | 34.6 | Very low | 139 Ų | 139 | 150.8 Ų | 150.8 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | -59.1 | 132.4 | -168.1 | 52.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 129 | G | 29.4 | Very low | 34.6 | Very low | 72 Ų | 72 | 151.6 Ų | 151.6 | 74% | 0.742 | 83% | 0.83 | S | S | * | * | trans | -139.6 | 123.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 130 | L | 38.1 | Very low | 34.8 | Very low | 179 Ų | 179 | 152.2 Ų | 152.2 | 94% | 0.937 | 83% | 0.83 | S | S | * | * | trans | -90.1 | 115.2 | -179.9 | -74.5 | 161.6 | 0 | 0 | 0 | 111.2 | ||||
| 131 | T | 28.8 | Very low | 35 | Very low | 132 Ų | 132 | 157.4 Ų | 157.4 | 81% | 0.81 | 84% | 0.84 | S | S | * | * | trans | -147.6 | 120.2 | 159.1 | 50.5 | 0 | 0 | 0 | 0 | 109.9 | G133 | T131-G133 PolarHBondContact O-N 3.27Š| ||
| 132 | D | 37.4 | Very low | 35.7 | Very low | 177 Ų | 177 | 157.4 Ų | 157.4 | 95% | 0.947 | 85% | 0.846 | S | S | * | * | trans | -65.9 | 128 | 172.4 | -61.6 | -70.8 | 0 | 0 | 0 | 110.8 | ||||
| 133 | G | 30.5 | Very low | 36.9 | Very low | 65 Ų | 65 | 155.8 Ų | 155.8 | 67% | 0.67 | 84% | 0.841 | S | S | * | * | trans | -151.7 | 117.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | T131 E135 | T131-G133 PolarHBondContact O-N 3.27Å; G133-E135 PolarHBondContact O-N 3.12Å | ||
| 134 | E | 37 | Very low | 39.1 | Very low | 189 Ų | 189 | 155.5 Ų | 155.5 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | trans | -70.9 | 90.9 | -179 | -63.2 | -178.3 | 141.7 | 0 | 0 | 110.7 | K136 | E134-K136 PolarHBondContact O-N 3.23Š| ||
| 135 | E | 32.5 | Very low | 41.3 | Very low | 189 Ų | 189 | 149 Ų | 149 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -64.8 | 99.4 | 164.9 | -70.5 | -161.4 | 152.5 | 0 | 0 | 109.1 | G133 E137 | G133-E135 PolarHBondContact O-N 3.12Å; E135-E137 PolarHBondContact O-N 2.88Å; E135-E137 VanDerWaalsContact O-N 3.11Å | ||
| 136 | K | 34.9 | Very low | 44.1 | Very low | 182 Ų | 182 | 140.9 Ų | 140.9 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | -65.3 | 109.8 | 166.9 | -72.5 | -179 | 177.3 | 175.2 | 0 | 108.3 | E134 E138 | E134-K136 PolarHBondContact O-N 3.23Å; K136-E138 PolarHBondContact O-N 3.11Å; K136-E138 VanDerWaalsContact O-N 3.07Å | ||
| 137 | E | 36.2 | Very low | 47.1 | Very low | 185 Ų | 185 | 138.8 Ų | 138.8 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -52 | 116.3 | 164.8 | -64.2 | -169 | 130.9 | 0 | 0 | 108.8 | E135 P139 | E135-E137 PolarHBondContact O-N 2.88Å; E135-E137 VanDerWaalsContact O-N 3.11Å; E137-P139 WeakPolarHBondContact O-CD 3.29Å |
| 138 | E | 36.7 | Very low | 50.3 | Low | 183 Ų | 183 | 129.5 Ų | 129.5 | 86% | 0.855 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 119.8 | 163.9 | -70.1 | -167 | 148.8 | 0 | 0 | 107 | K136 K140 | K136-E138 PolarHBondContact O-N 3.11Å; K136-E138 VanDerWaalsContact O-N 3.07Å; E138-K140 PolarHBondContact O-N 3.5Å |
| 139 | P | 37.6 | Very low | 53.2 | Low | 117 Ų | 117 | 123.9 Ų | 123.9 | 76% | 0.76 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 117.3 | -176.6 | 26 | -33.2 | 0 | 0 | 0 | 108.4 | E137 E141 | E137-P139 WeakPolarHBondContact O-CD 3.29Å; P139-E141 PolarHBondContact O-N 2.96Å; P139-E141 VanDerWaalsContact O-N 3.11Å |
| 140 | K | 39.1 | Very low | 56.4 | Low | 194 Ų | 194 | 120.4 Ų | 120.4 | 84% | 0.843 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 122.3 | 168.4 | -68 | 172.4 | -176.5 | 163.9 | 0 | 107.6 | E138 V142 | E138-K140 PolarHBondContact O-N 3.5Å; K140-V142 PolarHBondContact O-N 3.47Å |
| 141 | E | 42.4 | Very low | 59.1 | Low | 189 Ų | 189 | 113 Ų | 113 | 88% | 0.883 | 57% | 0.574 | S | S | * | * | trans | -55.6 | 114.4 | 175.8 | -68.5 | -169 | 139.9 | 0 | 0 | 108.2 | P139 E143 | P139-E141 PolarHBondContact O-N 2.96Å; P139-E141 VanDerWaalsContact O-N 3.11Å; E141-E143 PolarHBondContact O-N 3.24Å | ||
| 142 | V | 51.3 | Low | 62.3 | Low | 131 Ų | 131 | 106.7 Ų | 106.7 | 79% | 0.794 | 54% | 0.536 | S | S | * | . | trans | -70 | 101.5 | 177.4 | 179.3 | 0 | 0 | 0 | 0 | 106.5 | K140 K144 | K140-V142 PolarHBondContact O-N 3.47Å; V142-K144 PolarHBondContact O-N 3.42Å | ||
| 143 | E | 61.5 | Low | 65 | Low | 150 Ų | 150 | 100.8 Ų | 100.8 | 70% | 0.701 | 50% | 0.504 | S | S | * | . | trans | -51 | 111 | 175.1 | -68 | -174.9 | 147 | 0 | 0 | 108.6 | E141 L145 | E141-E143 PolarHBondContact O-N 3.24Å; E143-L145 HydrophobicContact CB-CD2 4.22Å; E143-L145 PolarHBondContact O-N 2.89Å | ||
| 144 | K | 77.4 | Confident | 68 | Low | 157 Ų | 157 | 97.9 Ų | 97.9 | 68% | 0.683 | 47% | 0.473 | S | S | * | . | trans | -76.1 | 97 | 179.8 | -75.3 | -169.8 | 169.1 | -162.7 | 0 | 109.1 | V142 G146 E170 | V142-K144 PolarHBondContact O-N 3.42Å; K144-G146 PolarHBondContact O-N 3.21Å; K144-E170 IonicContact NZ-OE2 2.66Å | ||
| 145 | L | 86.2 | Confident | 70.7 | Confident | 23 Ų | 23 | 91 Ų | 91 | 12% | 0.12 | 44% | 0.443 | C | S | . | . | trans | -81.8 | 2 | 177.4 | -53 | 178.3 | 0 | 0 | 0 | 113 | E143 P172 I243 L265 Q266 S267 | E143-L145 HydrophobicContact CB-CD2 4.22Å; E143-L145 PolarHBondContact O-N 2.89Å; L145-P172 WeakPolarHBondContact O-CD 3.22Å; L145-I243 WeakPolarHBondContact O-CG2 3.35Å; L145-L265 HydrophobicContact CB-CB 4.06Å; L145-L265 WeakPolarHBondContact O-CD1 3.35Å; L145-Q266 VanDerWaalsContact CD1-C 3.48Å; L145-S267 VanDerWaalsContact CD1-N 3.29Å | ||
| 146 | G | 91.2 | Very high | 73.4 | Confident | 5 Ų | 5 | 87.4 Ų | 87.4 | 5% | 0.052 | 42% | 0.424 | C | S | . | . | trans | 88.8 | -168.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K144 A169 E170 L265 | K144-G146 PolarHBondContact O-N 3.21Å; G146-A169 CarbonylContact C-O 3.59Å; G146-A169 VanDerWaalsContact CA-O 3.29Å; G146-A169 WeakPolarHBondContact CA-O 3.34Å; G146-E170 WeakPolarHBondContact CA-O 3.32Å; G146-E170 PolarHBondContact N-O 2.93Å; G146-L265 PolarHBondContact O-N 2.85Å | ||
| 147 | K | 95 | Very high | 76 | Confident | 62 Ų | 62 | 87.2 Ų | 87.2 | 27% | 0.27 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 151.8 | -177.6 | -57 | 179.5 | -177.4 | -66.6 | 0 | 110.7 | A168 A169 W262 R263 D264 | K147-A168 CarbonylContact O-C 3.51Å; K147-A168 WeakPolarHBondContact O-CA 3.21Å; K147-A168 VanDerWaalsContact O-CB 3.3Å; K147-A168 WeakPolarHBondContact O-CB 3.32Å; K147-A169 PolarHBondContact N-O 3.06Å; K147-A169 PolarHBondContact O-N 2.91Å; K147-W262 HydrophobicContact CB-CE3 3.71Å; K147-W262 HydrophobicContact CB-CZ3 3.9Å; K147-R263 CarbonylContact C-O 3.51Å; K147-R263 VanDerWaalsContact CA-O 3.24Å; K147-R263 WeakPolarHBondContact CA-O 3.43Å; K147-D264 IonicContact NZ-OD1 3.42Å; K147-D264 PolarHBondContact NZ-OD1 3.3Å; K147-D264 IonicContact NZ-OD2 2.67Å; K147-D264 PolarHBondContact NZ-OD2 2.87Å |
| 148 | I | 96.1 | Very high | 78.6 | Confident | 0 Ų | 0 | 83.1 Ų | 83.1 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 140.8 | 172.9 | -172.7 | 163.9 | 0 | 0 | 0 | 110.4 | Y150 I165 V184 M229 V231 W262 R263 L265 | I148-Y150 HydrophobicContact CG2-CD1 4.47Å; I148-I165 HydrophobicContact CD1-CG2 4.41Å; I148-V184 HydrophobicContact CD1-CG1 4.08Å; I148-V184 HydrophobicContact CD1-CG2 4.2Å; I148-M229 HydrophobicContact CD1-CB 4.33Å; I148-V231 HydrophobicContact CD1-CG2 4.17Å; I148-W262 WeakPolarHBondContact O-CA 3.29Å; I148-R263 PolarHBondContact N-O 3.16Å; I148-R263 PolarHBondContact O-N 2.82Å; I148-L265 HydrophobicContact CB-CD2 4.15Å; I148-L265 HydrophobicContact CG2-CD2 3.73Å; I148-L265 HydrophobicContact CG2-CG 4.34Å |
| 149 | Q | 97.3 | Very high | 81.3 | Confident | 20 Ų | 20 | 77.9 Ų | 77.9 | 9% | 0.093 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 125.6 | 169.4 | -169.4 | -179.8 | -8.8 | 0 | 0 | 108.9 | I166 Q167 E260 E261 W262 | Q149-I166 HydrophobicContact CB-CB 4.35Å; Q149-I166 HydrophobicContact CG-CB 4.26Å; Q149-I166 HydrophobicContact CG-CD1 4.12Å; Q149-I166 HydrophobicContact CG-CG2 4.44Å; Q149-I166 PolarHBondContact O-N 3.3Å; Q149-I166 VanDerWaalsContact O-N 3.1Å; Q149-Q167 HydrophobicContact CB-CG 4.03Å; Q149-Q167 PolarHBondContact N-O 2.8Å; Q149-Q167 PolarHBondContact O-N 2.96Å; Q149-E260 PolarHBondContact NE2-OE1 3.01Å; Q149-E261 WeakPolarHBondContact CA-O 3.09Å; Q149-W262 HydrophobicContact CB-CD2 3.73Å; Q149-W262 HydrophobicContact CB-CE3 3.9Å; Q149-W262 HydrophobicContact CB-CG 4.29Å; Q149-W262 HydrophobicContact CB-CH2 4.13Å; Q149-W262 HydrophobicContact CB-CZ2 3.94Å; Q149-W262 HydrophobicContact CB-CZ3 4.09Å; Q149-W262 HydrophobicContact CG-CD2 4.19Å; Q149-W262 HydrophobicContact CG-CG 4.34Å; Q149-W262 HydrophobicContact CG-CZ2 4.46Å; Q149-W262 VanDerWaalsContact OE1-CE2 3.25Å |
| 150 | Y | 96.7 | Very high | 83.9 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 161.6 | 178.4 | 62.4 | -99.7 | 0 | 0 | 0 | 110.9 | I148 L152 G164 M229 Y246 E260 E261 R263 | I148-Y150 HydrophobicContact CG2-CD1 4.47Å; Y150-L152 HydrophobicContact CD2-CD1 4.33Å; Y150-L152 HydrophobicContact CD2-CD2 4.35Å; Y150-L152 HydrophobicContact CD2-CG 3.87Å; Y150-L152 HydrophobicContact CE2-CD1 3.94Å; Y150-L152 HydrophobicContact CE2-CG 3.96Å; Y150-G164 CarbonylContact C-O 3.55Å; Y150-G164 WeakPolarHBondContact CA-O 3.39Å; Y150-G164 WeakPolarHBondContact CB-O 3.44Å; Y150-M229 HydrophobicContact CD1-CE 3.44Å; Y150-M229 VanDerWaalsContact CD1-CE 3.44Å; Y150-M229 HydrophobicContact CD1-SD 4.02Å; Y150-M229 HydrophobicContact CD2-CE 4.2Å; Y150-M229 HydrophobicContact CE1-CE 3.7Å; Y150-M229 HydrophobicContact CE2-CE 4.46Å; Y150-M229 HydrophobicContact CG-CE 3.71Å; Y150-M229 HydrophobicContact CG-SD 3.91Å; Y150-Y246 AromaticContact CE1-CD1 3.79Å; Y150-Y246 HydrophobicContact CE1-CD1 3.79Å; Y150-Y246 AromaticContact CE1-CE1 3.59Å; Y150-Y246 HydrophobicContact CE1-CE1 3.59Å; Y150-Y246 AromaticContact CZ-CE1 3.84Å; Y150-Y246 WeakPolarHBondContact OH-CE1 3.27Å; Y150-E260 WeakPolarHBondContact O-CA 3.27Å; Y150-E260 WeakPolarHBondContact O-CG 3.21Å; Y150-E261 HydrophobicContact CE1-CG 4.42Å; Y150-E261 HydrophobicContact CE2-CG 3.72Å; Y150-E261 PolarHBondContact N-O 2.81Å; Y150-E261 PolarHBondContact O-N 2.91Å; Y150-E261 PolarHBondContact OH-OE1 2.99Å; Y150-R263 HydrophobicContact CE1-CB 4.12Å; Y150-R263 HydrophobicContact CE1-CG 3.81Å |
| 151 | S | 96 | Very high | 86.5 | Confident | 23 Ų | 23 | 64.7 Ų | 64.7 | 16% | 0.161 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 143.6 | 165.4 | 57.3 | 0 | 0 | 0 | 0 | 111.5 | V163 G164 T259 | S151-V163 WeakPolarHBondContact O-CA 3.49Å; S151-G164 PolarHBondContact N-O 3.47Å; S151-G164 PolarHBondContact O-N 2.67Å; S151-T259 CarbonylContact C-O 3.56Å; S151-T259 VanDerWaalsContact CA-O 3.25Å; S151-T259 WeakPolarHBondContact CA-O 3.39Å |
| 152 | L | 95.4 | Very high | 89 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 133.6 | 174.5 | -58.5 | 178.4 | 0 | 0 | 0 | 109.5 | Y150 L162 V163 L227 V248 M250 V253 F255 T259 | Y150-L152 HydrophobicContact CD2-CD1 4.33Å; Y150-L152 HydrophobicContact CD2-CD2 4.35Å; Y150-L152 HydrophobicContact CD2-CG 3.87Å; Y150-L152 HydrophobicContact CE2-CD1 3.94Å; Y150-L152 HydrophobicContact CE2-CG 3.96Å; L152-L162 WeakPolarHBondContact CA-O 3.49Å; L152-V163 HydrophobicContact CD2-CB 4.29Å; L152-V163 HydrophobicContact CD2-CG1 3.99Å; L152-V163 HydrophobicContact CD2-CG2 3.89Å; L152-L227 HydrophobicContact CD1-CD2 4.47Å; L152-L227 HydrophobicContact CD2-CD2 3.4Å; L152-L227 VanDerWaalsContact CD2-CD2 3.4Å; L152-V248 HydrophobicContact CD1-CG1 4.15Å; L152-M250 HydrophobicContact CD1-CE 3.97Å; L152-V253 HydrophobicContact CD1-CG1 4.25Å; L152-V253 HydrophobicContact CD1-CG2 4.02Å; L152-F255 HydrophobicContact CB-CE1 4.42Å; L152-T259 PolarHBondContact N-O 2.91Å; L152-T259 PolarHBondContact O-N 2.84Å |
| 153 | D | 94.4 | Very high | 91.1 | Very high | 53 Ų | 53 | 51 Ų | 51 | 28% | 0.283 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 158.3 | 175.8 | -179.5 | 29.9 | 0 | 0 | 0 | 109 | L162 V258 | D153-L162 HydrophobicContact CB-CB 4.18Å; D153-L162 HydrophobicContact CB-CD1 4.5Å; D153-L162 PolarHBondContact N-O 2.96Å; D153-L162 VanDerWaalsContact N-O 3.07Å; D153-L162 PolarHBondContact O-N 2.86Å; D153-V258 HydrophobicContact CB-CG1 4.42Å; D153-V258 HydrophobicContact CB-CG2 4.15Å |
| 154 | Y | 93.8 | Very high | 92.8 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 114.6 | 179.3 | -170.9 | -91.8 | 0 | 0 | 0 | 112 | F156 N159 L161 V217 Y219 L222 | Y154-F156 AromaticContact CD1-CD1 3.67Å; Y154-F156 HydrophobicContact CD1-CD1 3.67Å; Y154-F156 HydrophobicContact CD1-CD2 4.01Å; Y154-F156 AromaticContact CD1-CE1 3.72Å; Y154-F156 HydrophobicContact CD1-CE1 3.72Å; Y154-F156 HydrophobicContact CD1-CE2 4.06Å; Y154-F156 AromaticContact CD1-CG 3.81Å; Y154-F156 HydrophobicContact CD1-CG 3.81Å; Y154-F156 AromaticContact CD1-CZ 3.92Å; Y154-F156 HydrophobicContact CD1-CZ 3.92Å; Y154-F156 AromaticContact CE1-CD1 3.85Å; Y154-F156 HydrophobicContact CE1-CD1 3.85Å; Y154-F156 HydrophobicContact CE1-CE1 4.18Å; Y154-F156 HydrophobicContact CE1-CG 4.2Å; Y154-F156 WeakPolarHBondContact O-CD2 3.32Å; Y154-F156 WeakPolarHBondContact O-CE2 3.1Å; Y154-F156 PolarHBondContact O-N 2.57Å; Y154-N159 VanDerWaalsContact OH-CA 3.29Å; Y154-N159 WeakPolarHBondContact OH-CA 2.92Å; Y154-L161 HydrophobicContact CD2-CB 4.06Å; Y154-L161 HydrophobicContact CD2-CD1 4.37Å; Y154-L161 HydrophobicContact CE2-CB 4.41Å; Y154-V217 WeakPolarHBondContact CE2-O 3.43Å; Y154-V217 PolarHBondContact OH-O 2.92Å; Y154-Y219 AromaticContact CD1-CD2 3.94Å; Y154-Y219 HydrophobicContact CD1-CD2 3.94Å; Y154-Y219 AromaticContact CE1-CD2 3.9Å; Y154-Y219 HydrophobicContact CE1-CD2 3.9Å; Y154-Y219 HydrophobicContact CE1-CG 4.31Å; Y154-Y219 HydrophobicContact CG-CD2 4.35Å; Y154-Y219 PolarHBondContact OH-N 3.06Å; Y154-L222 HydrophobicContact CD2-CD2 3.63Å; Y154-L222 HydrophobicContact CE2-CD2 3.89Å; Y154-L222 HydrophobicContact CG-CD2 4.35Å |
| 155 | D | 93.2 | Very high | 93.7 | Very high | 45 Ų | 45 | 36.6 Ų | 36.6 | 24% | 0.241 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 96.9 | 174.7 | -174.8 | -21 | 0 | 0 | 0 | 110.1 | Q157 N158 N159 Q160 | D155-Q157 PolarHBondContact O-N 2.96Å; D155-Q157 WeakPolarHBondContact OD1-CA 3.32Å; D155-Q157 WeakPolarHBondContact OD1-CB 3.39Å; D155-Q157 PolarHBondContact OD1-N 2.91Å; D155-N158 PolarHBondContact OD1-N 2.88Å; D155-N158 WeakPolarHBondContact OD2-CB 3.5Å; D155-N158 PolarHBondContact OD2-ND2 2.87Å; D155-N159 WeakPolarHBondContact O-CA 3.45Å; D155-N159 PolarHBondContact O-N 2.87Å; D155-Q160 PolarHBondContact N-O 2.94Å; D155-Q160 PolarHBondContact O-N 2.91Å |
| 156 | F | 89.1 | Confident | 94.2 | Very high | 113 Ų | 113 | 36.8 Ų | 36.8 | 50% | 0.496 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -20.8 | 175.3 | -66 | -84.6 | 0 | 0 | 0 | 114.1 | Y154 Y219 F255 | Y154-F156 AromaticContact CD1-CD1 3.67Å; Y154-F156 HydrophobicContact CD1-CD1 3.67Å; Y154-F156 HydrophobicContact CD1-CD2 4.01Å; Y154-F156 AromaticContact CD1-CE1 3.72Å; Y154-F156 HydrophobicContact CD1-CE1 3.72Å; Y154-F156 HydrophobicContact CD1-CE2 4.06Å; Y154-F156 AromaticContact CD1-CG 3.81Å; Y154-F156 HydrophobicContact CD1-CG 3.81Å; Y154-F156 AromaticContact CD1-CZ 3.92Å; Y154-F156 HydrophobicContact CD1-CZ 3.92Å; Y154-F156 AromaticContact CE1-CD1 3.85Å; Y154-F156 HydrophobicContact CE1-CD1 3.85Å; Y154-F156 HydrophobicContact CE1-CE1 4.18Å; Y154-F156 HydrophobicContact CE1-CG 4.2Å; Y154-F156 WeakPolarHBondContact O-CD2 3.32Å; Y154-F156 WeakPolarHBondContact O-CE2 3.1Å; Y154-F156 PolarHBondContact O-N 2.57Å; F156-Y219 HydrophobicContact CD1-CD2 4.45Å; F156-Y219 AromaticContact CE1-CD2 3.66Å; F156-Y219 HydrophobicContact CE1-CD2 3.66Å; F156-Y219 AromaticContact CE1-CE2 3.72Å; F156-Y219 HydrophobicContact CE1-CE2 3.72Å; F156-Y219 HydrophobicContact CE1-CG 4.13Å; F156-Y219 HydrophobicContact CZ-CD2 4.31Å; F156-Y219 HydrophobicContact CZ-CE2 4.04Å; F156-F255 WeakPolarHBondContact CE2-O 3.39Å; F156-F255 HydrophobicContact CZ-CB 4.1Å |
| 157 | Q | 90.4 | Very high | 94.4 | Very high | 178 Ų | 178 | 39.5 Ų | 39.5 | 83% | 0.832 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -48 | 178 | -57.1 | -173.3 | 4 | 0 | 0 | 110.3 | D155 | D155-Q157 PolarHBondContact O-N 2.96Å; D155-Q157 WeakPolarHBondContact OD1-CA 3.32Å; D155-Q157 WeakPolarHBondContact OD1-CB 3.39Å; D155-Q157 PolarHBondContact OD1-N 2.91Å |
| 158 | N | 90.4 | Very high | 94.5 | Very high | 98 Ų | 98 | 36.6 Ų | 36.6 | 52% | 0.524 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -5.7 | -176.7 | -66.3 | -73.1 | 0 | 0 | 0 | 114.1 | D155 Q160 | D155-N158 PolarHBondContact OD1-N 2.88Å; D155-N158 WeakPolarHBondContact OD2-CB 3.5Å; D155-N158 PolarHBondContact OD2-ND2 2.87Å; N158-Q160 HydrophobicContact CB-CG 4.07Å; N158-Q160 WeakPolarHBondContact O-CG 3.2Å; N158-Q160 PolarHBondContact O-NE2 2.87Å |
| 159 | N | 92.1 | Very high | 94.4 | Very high | 74 Ų | 74 | 37.5 Ų | 37.5 | 40% | 0.396 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 55.3 | -177.2 | -73.2 | -98.8 | 0 | 0 | 0 | 113.7 | Y154 D155 V217 | Y154-N159 VanDerWaalsContact OH-CA 3.29Å; Y154-N159 WeakPolarHBondContact OH-CA 2.92Å; D155-N159 WeakPolarHBondContact O-CA 3.45Å; D155-N159 PolarHBondContact O-N 2.87Å; N159-V217 CarbonylContact O-C 3.53Å; N159-V217 PolarHBondContact O-N 2.88Å; N159-V217 VanDerWaalsContact O-O 3.1Å |
| 160 | Q | 93.2 | Very high | 94.1 | Very high | 33 Ų | 33 | 41.6 Ų | 41.6 | 15% | 0.154 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 130.1 | -174.3 | -39.4 | -173.6 | 24 | 0 | 0 | 111.3 | D155 N158 T214 F215 K216 | D155-Q160 PolarHBondContact N-O 2.94Å; D155-Q160 PolarHBondContact O-N 2.91Å; N158-Q160 HydrophobicContact CB-CG 4.07Å; N158-Q160 WeakPolarHBondContact O-CG 3.2Å; N158-Q160 PolarHBondContact O-NE2 2.87Å; Q160-T214 HydrophobicContact CB-CG2 3.65Å; Q160-T214 HydrophobicContact CG-CG2 4.37Å; Q160-F215 WeakPolarHBondContact CA-O 3.41Å; Q160-K216 HydrophobicContact CG-CG 4.08Å; Q160-K216 VanDerWaalsContact OE1-CE 3.3Å |
| 161 | L | 93.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 127.8 | 170.5 | 176.3 | 78 | 0 | 0 | 0 | 108.9 | Y154 V163 L188 T214 F215 L222 M250 F255 | Y154-L161 HydrophobicContact CD2-CB 4.06Å; Y154-L161 HydrophobicContact CD2-CD1 4.37Å; Y154-L161 HydrophobicContact CE2-CB 4.41Å; L161-V163 HydrophobicContact CD2-CG2 3.85Å; L161-V163 HydrophobicContact CG-CG2 3.98Å; L161-L188 HydrophobicContact CD2-CD1 4.22Å; L161-L188 HydrophobicContact CD2-CD2 4.05Å; L161-T214 CarbonylContact O-C 3.51Å; L161-T214 WeakPolarHBondContact O-CA 3.36Å; L161-F215 HydrophobicContact CB-CB 4.29Å; L161-F215 PolarHBondContact N-O 3.34Å; L161-F215 PolarHBondContact O-N 2.89Å; L161-L222 HydrophobicContact CD2-CD1 4.31Å; L161-M250 HydrophobicContact CD1-SD 4.28Å; L161-M250 HydrophobicContact CD2-SD 3.71Å; L161-F255 HydrophobicContact CD1-CD1 4.36Å; L161-F255 HydrophobicContact CD1-CE1 3.45Å; L161-F255 VanDerWaalsContact CD1-CE1 3.45Å; L161-F255 HydrophobicContact CD1-CZ 3.86Å |
| 162 | L | 94.6 | Very high | 93.6 | Very high | 32 Ų | 32 | 42.3 Ų | 42.3 | 17% | 0.168 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 128.4 | 174.2 | -64.2 | 173.2 | 0 | 0 | 0 | 109.1 | L152 D153 T214 | L152-L162 WeakPolarHBondContact CA-O 3.49Å; D153-L162 HydrophobicContact CB-CB 4.18Å; D153-L162 HydrophobicContact CB-CD1 4.5Å; D153-L162 PolarHBondContact N-O 2.96Å; D153-L162 VanDerWaalsContact N-O 3.07Å; D153-L162 PolarHBondContact O-N 2.86Å; L162-T214 HydrophobicContact CD2-CG2 3.77Å; L162-T214 WeakPolarHBondContact CD2-OG1 3.19Å |
| 163 | V | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 107.6 | -179.6 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | S151 L152 L161 I165 V186 Q212 F213 F215 L227 M229 | S151-V163 WeakPolarHBondContact O-CA 3.49Å; L152-V163 HydrophobicContact CD2-CB 4.29Å; L152-V163 HydrophobicContact CD2-CG1 3.99Å; L152-V163 HydrophobicContact CD2-CG2 3.89Å; L161-V163 HydrophobicContact CD2-CG2 3.85Å; L161-V163 HydrophobicContact CG-CG2 3.98Å; V163-I165 HydrophobicContact CG1-CD1 4.15Å; V163-V186 HydrophobicContact CG1-CG1 3.94Å; V163-Q212 WeakPolarHBondContact O-CA 3.33Å; V163-F213 PolarHBondContact N-O 2.97Å; V163-F213 PolarHBondContact O-N 3.04Å; V163-F215 HydrophobicContact CB-CE2 4.4Å; V163-F215 HydrophobicContact CG2-CD2 3.93Å; V163-F215 HydrophobicContact CG2-CE2 3.93Å; V163-L227 HydrophobicContact CG1-CD2 3.85Å; V163-L227 HydrophobicContact CG2-CD1 4.06Å; V163-L227 HydrophobicContact CG2-CD2 3.89Å; V163-M229 HydrophobicContact CG1-SD 4.34Å |
| 164 | G | 96.3 | Very high | 92.6 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 6% | 0.062 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 126.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y150 S151 | Y150-G164 CarbonylContact C-O 3.55Å; Y150-G164 WeakPolarHBondContact CA-O 3.39Å; Y150-G164 WeakPolarHBondContact CB-O 3.44Å; S151-G164 PolarHBondContact N-O 3.47Å; S151-G164 PolarHBondContact O-N 2.67Å |
| 165 | I | 97.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 107.4 | 166.1 | -54 | -55.7 | 0 | 0 | 0 | 107.1 | I148 V163 V184 V186 T198 F209 N210 E211 F213 M229 | I148-I165 HydrophobicContact CD1-CG2 4.41Å; V163-I165 HydrophobicContact CG1-CD1 4.15Å; I165-V184 HydrophobicContact CG2-CB 4.24Å; I165-V184 HydrophobicContact CG2-CG2 3.88Å; I165-V186 HydrophobicContact CD1-CG2 3.8Å; I165-V186 HydrophobicContact CG1-CG2 3.74Å; I165-T198 HydrophobicContact CB-CG2 4.22Å; I165-T198 HydrophobicContact CG1-CG2 4.4Å; I165-T198 HydrophobicContact CG2-CG2 4.13Å; I165-F209 HydrophobicContact CG2-CB 4.23Å; I165-F209 HydrophobicContact CG2-CD2 3.71Å; I165-F209 HydrophobicContact CG2-CE2 4.38Å; I165-F209 HydrophobicContact CG2-CG 4.16Å; I165-N210 WeakPolarHBondContact O-CA 3.21Å; I165-N210 PolarHBondContact O-N 2.92Å; I165-N210 VanDerWaalsContact O-N 3.12Å; I165-E211 PolarHBondContact N-O 2.94Å; I165-E211 PolarHBondContact O-N 2.86Å; I165-F213 HydrophobicContact CG1-CD2 4.17Å; I165-F213 HydrophobicContact CG1-CE2 3.86Å; I165-M229 HydrophobicContact CD1-CG 3.95Å; I165-M229 HydrophobicContact CD1-SD 3.52Å; I165-M229 VanDerWaalsContact CD1-SD 3.52Å |
| 166 | I | 96.4 | Very high | 90.8 | Very high | 27 Ų | 27 | 55.8 Ų | 55.8 | 14% | 0.138 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -66.7 | -170.5 | -62.3 | 166.3 | 0 | 0 | 0 | 108.8 | Q149 F209 N210 E260 | Q149-I166 HydrophobicContact CB-CB 4.35Å; Q149-I166 HydrophobicContact CG-CB 4.26Å; Q149-I166 HydrophobicContact CG-CD1 4.12Å; Q149-I166 HydrophobicContact CG-CG2 4.44Å; Q149-I166 PolarHBondContact O-N 3.3Å; Q149-I166 VanDerWaalsContact O-N 3.1Å; I166-F209 PolarHBondContact O-N 3.18Å; I166-N210 PolarHBondContact O-N 3.43Å; I166-N210 PolarHBondContact O-OD1 2.97Å; I166-E260 VanDerWaalsContact CD1-CD 3.43Å; I166-E260 HydrophobicContact CD1-CG 3.63Å |
| 167 | Q | 96.1 | Very high | 89.9 | Confident | 62 Ų | 62 | 53.4 Ų | 53.4 | 29% | 0.29 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 168 | -179.5 | 61.5 | -173.4 | -17.5 | 0 | 0 | 111.6 | Q149 P207 V208 W262 | Q149-Q167 HydrophobicContact CB-CG 4.03Å; Q149-Q167 PolarHBondContact N-O 2.8Å; Q149-Q167 PolarHBondContact O-N 2.96Å; Q167-P207 CarbonylContact C-O 3.6Å; Q167-P207 WeakPolarHBondContact CA-O 3.33Å; Q167-P207 VanDerWaalsContact CB-O 3.28Å; Q167-P207 WeakPolarHBondContact CB-O 3.39Å; Q167-V208 HydrophobicContact CB-CB 4.36Å; Q167-V208 HydrophobicContact CB-CG1 4.48Å; Q167-V208 HydrophobicContact CB-CG2 4.08Å; Q167-W262 HydrophobicContact CG-CH2 3.82Å; Q167-W262 HydrophobicContact CG-CZ2 3.99Å |
| 168 | A | 96.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 160.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | K147 L171 N206 P207 F209 | K147-A168 CarbonylContact O-C 3.51Å; K147-A168 WeakPolarHBondContact O-CA 3.21Å; K147-A168 VanDerWaalsContact O-CB 3.3Å; K147-A168 WeakPolarHBondContact O-CB 3.32Å; A168-L171 HydrophobicContact CB-CD1 4.12Å; A168-L171 HydrophobicContact CB-CD2 4.09Å; A168-L171 HydrophobicContact CB-CG 4.25Å; A168-N206 CarbonylContact O-C 3.56Å; A168-N206 WeakPolarHBondContact O-CA 3.29Å; A168-P207 HydrophobicContact CB-CG 3.95Å; A168-P207 PolarHBondContact N-O 3.21Å; A168-P207 WeakPolarHBondContact O-CD 3.45Å; A168-F209 HydrophobicContact CB-CE2 4.35Å |
| 169 | A | 93.8 | Very high | 89.1 | Confident | 20 Ų | 20 | 44.1 Ų | 44.1 | 17% | 0.165 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 159.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112 | G146 K147 L171 N206 W262 | G146-A169 CarbonylContact C-O 3.59Å; G146-A169 VanDerWaalsContact CA-O 3.29Å; G146-A169 WeakPolarHBondContact CA-O 3.34Å; K147-A169 PolarHBondContact N-O 3.06Å; K147-A169 PolarHBondContact O-N 2.91Å; A169-L171 PolarHBondContact O-N 3.31Å; A169-L171 VanDerWaalsContact O-N 3.16Å; A169-N206 VanDerWaalsContact CA-OD1 3.22Å; A169-N206 WeakPolarHBondContact CA-OD1 3.42Å; A169-W262 HydrophobicContact CB-CH2 3.7Å; A169-W262 HydrophobicContact CB-CZ3 3.8Å |
| 170 | E | 92 | Very high | 88.9 | Confident | 106 Ų | 106 | 40.6 Ų | 40.6 | 50% | 0.495 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 53.9 | 28.7 | -180 | -65 | -177.5 | -142.2 | 0 | 0 | 114.1 | K144 G146 N206 | K144-E170 IonicContact NZ-OE2 2.66Å; G146-E170 WeakPolarHBondContact CA-O 3.32Å; G146-E170 PolarHBondContact N-O 2.93Å; E170-N206 PolarHBondContact N-OD1 3.39Å |
| 171 | L | 91.9 | Very high | 88.8 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | trans | -65.1 | 143.1 | 178.2 | -59 | -178.5 | 0 | 0 | 0 | 110.9 | A168 A169 P182 L205 P207 V231 I243 L265 | A168-L171 HydrophobicContact CB-CD1 4.12Å; A168-L171 HydrophobicContact CB-CD2 4.09Å; A168-L171 HydrophobicContact CB-CG 4.25Å; A169-L171 PolarHBondContact O-N 3.31Å; A169-L171 VanDerWaalsContact O-N 3.16Å; L171-P182 HydrophobicContact CD1-CB 3.7Å; L171-P182 HydrophobicContact CD1-CG 3.95Å; L171-L205 HydrophobicContact CB-CB 4.46Å; L171-L205 WeakPolarHBondContact CB-O 3.15Å; L171-L205 WeakPolarHBondContact CG-O 3.32Å; L171-L205 PolarHBondContact N-O 2.86Å; L171-L205 VanDerWaalsContact N-O 3.1Å; L171-L205 WeakPolarHBondContact O-CB 3.38Å; L171-P207 HydrophobicContact CD1-CG 3.91Å; L171-V231 HydrophobicContact CD1-CG1 4.22Å; L171-V231 HydrophobicContact CD2-CG1 4.44Å; L171-I243 HydrophobicContact CD2-CG2 4.13Å; L171-L265 HydrophobicContact CD2-CD1 3.63Å | ||
| 172 | P | 88.9 | Confident | 88.9 | Confident | 34 Ų | 34 | 39.9 Ų | 39.9 | 22% | 0.221 | 24% | 0.243 | C | C | . | . | trans | -66.3 | 147 | 172.2 | 28.8 | -36.1 | 0 | 0 | 0 | 111.1 | L145 L174 S180 I243 | L145-P172 WeakPolarHBondContact O-CD 3.22Å; P172-L174 HydrophobicContact CB-CD2 4.44Å; P172-S180 PolarHBondContact O-OG 3.4Å; P172-I243 HydrophobicContact CG-CG2 3.73Å | ||
| 173 | A | 87.2 | Confident | 88.9 | Confident | 45 Ų | 45 | 38.7 Ų | 38.7 | 37% | 0.372 | 24% | 0.236 | S | C | . | . | trans | -87.1 | 113.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | G178 T179 L205 | A173-G178 VanDerWaalsContact CB-C 3.42Å; A173-T179 CarbonylContact C-O 3.37Å; A173-T179 WeakPolarHBondContact CA-O 3.42Å; A173-T179 WeakPolarHBondContact CB-O 3.33Å; A173-L205 HydrophobicContact CB-CD1 4.17Å; A173-L205 HydrophobicContact CB-CD2 3.98Å | ||
| 174 | L | 82.2 | Confident | 88.9 | Confident | 81 Ų | 81 | 38.7 Ų | 38.7 | 42% | 0.424 | 24% | 0.236 | S | C | . | . | trans | -98.2 | -22 | 176.4 | -50.1 | -178.6 | 0 | 0 | 0 | 112.7 | P172 T179 S180 D233 D241 I243 | P172-L174 HydrophobicContact CB-CD2 4.44Å; L174-T179 PolarHBondContact N-O 3.43Å; L174-S180 PolarHBondContact N-OG 2.95Å; L174-S180 VanDerWaalsContact N-OG 3.11Å; L174-D233 WeakPolarHBondContact CB-OD2 3.44Å; L174-D233 HydrophobicContact CD1-CB 4.18Å; L174-D241 HydrophobicContact CD1-CB 3.88Å; L174-I243 HydrophobicContact CD1-CG1 3.82Å; L174-I243 HydrophobicContact CG-CG1 4.49Å | ||
| 175 | D | 79.8 | Confident | 88.9 | Confident | 56 Ų | 56 | 39.9 Ų | 39.9 | 30% | 0.299 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -62.3 | 146.5 | 173.8 | -83.1 | -52.5 | 0 | 0 | 0 | 112 | G177 G178 T179 | D175-G177 PolarHBondContact O-N 2.91Å; D175-G178 PolarHBondContact O-N 3.34Å; D175-T179 WeakPolarHBondContact CB-O 3.47Å; D175-T179 PolarHBondContact N-O 3.29Å; D175-T179 PolarHBondContact OD2-OG1 3.47Å |
| 176 | M | 70 | Confident | 88.8 | Confident | 203 Ų | 203 | 39.9 Ų | 39.9 | 100% | 1 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -10.5 | 161.4 | -67.1 | -169.9 | 66.3 | 0 | 0 | 114.4 | ||
| 177 | G | 69.6 | Low | 88.6 | Confident | 63 Ų | 63 | 39.1 Ų | 39.1 | 65% | 0.649 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -5.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | D175 | D175-G177 PolarHBondContact O-N 2.91Š|
| 178 | G | 78.3 | Confident | 88.4 | Confident | 50 Ų | 50 | 36.5 Ų | 36.5 | 52% | 0.515 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 75 | 27.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A173 D175 | A173-G178 VanDerWaalsContact CB-C 3.42Å; D175-G178 PolarHBondContact O-N 3.34Å |
| 179 | T | 85.1 | Confident | 88 | Confident | 30 Ų | 30 | 38.8 Ų | 38.8 | 18% | 0.184 | 24% | 0.236 | C | C | . | . | trans | -136 | -172 | 177.3 | 56 | 0 | 0 | 0 | 0 | 110 | A173 L174 D175 K203 | A173-T179 CarbonylContact C-O 3.37Å; A173-T179 WeakPolarHBondContact CA-O 3.42Å; A173-T179 WeakPolarHBondContact CB-O 3.33Å; L174-T179 PolarHBondContact N-O 3.43Å; D175-T179 WeakPolarHBondContact CB-O 3.47Å; D175-T179 PolarHBondContact N-O 3.29Å; D175-T179 PolarHBondContact OD2-OG1 3.47Å; T179-K203 HydrophobicContact CG2-CB 4.13Å | ||
| 180 | S | 88.8 | Confident | 87.4 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -143.2 | 162.7 | 160.5 | -79.5 | 0 | 0 | 0 | 0 | 108.4 | P172 L174 P182 K203 T204 D233 | P172-S180 PolarHBondContact O-OG 3.4Å; L174-S180 PolarHBondContact N-OG 2.95Å; L174-S180 VanDerWaalsContact N-OG 3.11Å; S180-P182 WeakPolarHBondContact O-CD 3.48Å; S180-K203 CarbonylContact O-C 3.53Å; S180-K203 WeakPolarHBondContact O-CA 3.27Å; S180-K203 PolarHBondContact O-N 2.92Å; S180-T204 PolarHBondContact O-N 2.86Å; S180-D233 WeakPolarHBondContact CA-OD2 3.38Å; S180-D233 VanDerWaalsContact CB-CG 3.44Å; S180-D233 WeakPolarHBondContact CB-OD1 3.5Å; S180-D233 WeakPolarHBondContact CB-OD2 3.39Å; S180-D233 PolarHBondContact OG-OD2 3.38Å | ||
| 181 | D | 91.7 | Very high | 86.6 | Confident | 18 Ų | 18 | 40.8 Ų | 40.8 | 10% | 0.096 | 25% | 0.252 | C | S | . | . | trans | -103.8 | 65.2 | 167.3 | -84.7 | 12.4 | 0 | 0 | 0 | 109.1 | V200 H201 R202 K203 D233 F234 | D181-V200 HydrophobicContact CB-CG1 3.93Å; D181-H201 CarbonylContact C-O 3.59Å; D181-H201 WeakPolarHBondContact CA-O 3.44Å; D181-R202 WeakPolarHBondContact OD1-CA 3.38Å; D181-R202 WeakPolarHBondContact OD1-CB 3.35Å; D181-R202 WeakPolarHBondContact OD2-CD 3.2Å; D181-R202 WeakPolarHBondContact OD2-CG 3.28Å; D181-R202 IonicContact OD2-NE 2.87Å; D181-R202 PolarHBondContact OD2-NE 3.4Å; D181-K203 PolarHBondContact OD1-N 2.74Å; D181-D233 WeakPolarHBondContact CA-OD1 3.49Å; D181-D233 PolarHBondContact N-OD1 2.87Å; D181-F234 HydrophobicContact CB-CB 4.04Å; D181-F234 VanDerWaalsContact O-CB 3.28Å; D181-F234 WeakPolarHBondContact O-CB 3.27Å; D181-F234 PolarHBondContact O-N 3.45Å | ||
| 182 | P | 94 | Very high | 85.7 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 150.5 | -169.2 | 28.5 | -39.9 | 0 | 0 | 0 | 115.6 | L171 S180 H201 T204 P207 V231 Y232 I243 | L171-P182 HydrophobicContact CD1-CB 3.7Å; L171-P182 HydrophobicContact CD1-CG 3.95Å; S180-P182 WeakPolarHBondContact O-CD 3.48Å; P182-H201 WeakPolarHBondContact CD-O 3.47Å; P182-H201 PolarHBondContact O-N 3.47Å; P182-T204 WeakPolarHBondContact CD-O 3.47Å; P182-T204 HydrophobicContact CG-CG2 4.1Å; P182-T204 VanDerWaalsContact CG-O 3.28Å; P182-T204 WeakPolarHBondContact CG-O 3.4Å; P182-P207 HydrophobicContact CB-CG 4.17Å; P182-P207 HydrophobicContact CG-CB 3.92Å; P182-P207 HydrophobicContact CG-CG 3.65Å; P182-V231 HydrophobicContact CB-CG1 4.44Å; P182-Y232 CarbonylContact C-O 3.5Å; P182-Y232 WeakPolarHBondContact CA-O 3.41Å; P182-I243 HydrophobicContact CB-CD1 4.38Å |
| 183 | Y | 95.9 | Very high | 84.8 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 3% | 0.027 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 159.3 | 168.6 | 81.2 | -75.5 | 0 | 0 | 0 | 111.9 | K185 E197 K199 V200 V231 Y232 F234 H240 | Y183-K185 HydrophobicContact CE2-CG 3.98Å; Y183-K185 WeakPolarHBondContact OH-CE 3.16Å; Y183-K185 PolarHBondContact OH-NZ 3.4Å; Y183-E197 HydrophobicContact CD2-CB 4.28Å; Y183-E197 HydrophobicContact CE2-CB 4.14Å; Y183-E197 HydrophobicContact CE2-CG 4.45Å; Y183-E197 VanDerWaalsContact CE2-OE2 3.3Å; Y183-E197 WeakPolarHBondContact CE2-OE2 3.45Å; Y183-K199 WeakPolarHBondContact CB-O 3.44Å; Y183-V200 HydrophobicContact CD1-CG2 4.23Å; Y183-V200 HydrophobicContact CG-CG2 4.11Å; Y183-V231 WeakPolarHBondContact O-CA 2.98Å; Y183-Y232 WeakPolarHBondContact CD1-O 3.21Å; Y183-Y232 HydrophobicContact CE1-CG 4.48Å; Y183-Y232 PolarHBondContact N-O 2.86Å; Y183-Y232 PolarHBondContact O-N 3.24Å; Y183-F234 HydrophobicContact CD1-CB 4.13Å; Y183-F234 HydrophobicContact CE1-CB 4.27Å; Y183-H240 AromaticContact CE1-ND1 3.55Å; Y183-H240 AromaticContact CZ-ND1 3.63Å; Y183-H240 PolarHBondContact OH-ND1 2.91Å |
| 184 | V | 96.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 131.7 | -175.4 | -166.9 | 0 | 0 | 0 | 0 | 110.8 | I148 I165 V186 E197 T198 F209 M229 A230 V231 | I148-V184 HydrophobicContact CD1-CG1 4.08Å; I148-V184 HydrophobicContact CD1-CG2 4.2Å; I165-V184 HydrophobicContact CG2-CB 4.24Å; I165-V184 HydrophobicContact CG2-CG2 3.88Å; V184-V186 HydrophobicContact CG1-CG2 4.15Å; V184-E197 CarbonylContact O-C 3.58Å; V184-E197 WeakPolarHBondContact O-CA 3.39Å; V184-T198 HydrophobicContact CB-CG2 3.92Å; V184-T198 HydrophobicContact CG2-CG2 4.37Å; V184-T198 PolarHBondContact N-OG1 3.26Å; V184-T198 PolarHBondContact O-N 3.24Å; V184-F209 HydrophobicContact CG2-CD2 4.22Å; V184-F209 HydrophobicContact CG2-CE1 4.4Å; V184-F209 HydrophobicContact CG2-CE2 3.59Å; V184-F209 HydrophobicContact CG2-CZ 3.7Å; V184-M229 HydrophobicContact CG1-CB 4.27Å; V184-A230 WeakPolarHBondContact CA-O 3.49Å; V184-V231 HydrophobicContact CG1-CG2 4.44Å; V184-V231 HydrophobicContact CG2-CG2 4.15Å |
| 185 | K | 94.8 | Very high | 84.8 | Confident | 31 Ų | 31 | 55.6 Ų | 55.6 | 14% | 0.135 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 131.5 | 166.5 | -55.9 | -170.7 | -167 | -114.8 | 0 | 109.7 | Y183 Y196 E197 A230 Y232 | Y183-K185 HydrophobicContact CE2-CG 3.98Å; Y183-K185 WeakPolarHBondContact OH-CE 3.16Å; Y183-K185 PolarHBondContact OH-NZ 3.4Å; K185-Y196 CarbonylContact C-O 3.13Å; K185-Y196 WeakPolarHBondContact CA-O 3.29Å; K185-E197 WeakPolarHBondContact CD-OE1 3.33Å; K185-E197 WeakPolarHBondContact CE-OE1 3.34Å; K185-E197 HydrophobicContact CG-CG 4.04Å; K185-E197 VanDerWaalsContact NZ-CD 3.33Å; K185-E197 IonicContact NZ-OE1 2.64Å; K185-E197 PolarHBondContact NZ-OE1 3.03Å; K185-E197 IonicContact NZ-OE2 3.81Å; K185-E197 PolarHBondContact NZ-OE2 3.05Å; K185-A230 PolarHBondContact N-O 3.04Å; K185-A230 PolarHBondContact O-N 3.24Å; K185-Y232 HydrophobicContact CB-CD2 4.37Å; K185-Y232 HydrophobicContact CB-CE2 4.1Å; K185-Y232 HydrophobicContact CD-CD2 3.78Å; K185-Y232 HydrophobicContact CD-CE2 3.39Å; K185-Y232 HydrophobicContact CG-CD2 3.72Å; K185-Y232 HydrophobicContact CG-CE2 3.71Å |
| 186 | V | 95 | Very high | 85.5 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 124.2 | -176.3 | -169.8 | 0 | 0 | 0 | 0 | 109.4 | V163 I165 V184 Y196 F213 F215 L227 V228 M229 | V163-V186 HydrophobicContact CG1-CG1 3.94Å; I165-V186 HydrophobicContact CD1-CG2 3.8Å; I165-V186 HydrophobicContact CG1-CG2 3.74Å; V184-V186 HydrophobicContact CG1-CG2 4.15Å; V186-Y196 PolarHBondContact N-O 3.13Å; V186-Y196 PolarHBondContact O-N 2.96Å; V186-F213 HydrophobicContact CB-CD2 4.25Å; V186-F213 HydrophobicContact CG2-CD2 3.89Å; V186-F213 HydrophobicContact CG2-CE2 3.86Å; V186-F215 HydrophobicContact CB-CZ 4.45Å; V186-F215 HydrophobicContact CG1-CE2 3.86Å; V186-F215 HydrophobicContact CG1-CZ 3.88Å; V186-L227 HydrophobicContact CG1-CD1 3.76Å; V186-V228 WeakPolarHBondContact CA-O 3.32Å; V186-M229 HydrophobicContact CG1-CG 4.22Å; V186-M229 HydrophobicContact CG2-CG 4.39Å |
| 187 | F | 93.5 | Very high | 86.6 | Confident | 11 Ų | 11 | 51.7 Ų | 51.7 | 5% | 0.048 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 157.9 | 179.3 | 57.2 | -86.6 | 0 | 0 | 0 | 112.4 | L189 K192 K194 K195 V228 | F187-L189 HydrophobicContact CD2-CD2 4.32Å; F187-L189 HydrophobicContact CE2-CD2 4Å; F187-L189 HydrophobicContact CE2-CG 4.28Å; F187-K192 HydrophobicContact CE2-CG 4.49Å; F187-K194 WeakPolarHBondContact CB-O 3.23Å; F187-K195 HydrophobicContact CB-CG 4.07Å; F187-K195 HydrophobicContact CD1-CG 4.47Å; F187-K195 HydrophobicContact CG-CG 4.42Å; F187-V228 HydrophobicContact CD1-CB 4.47Å; F187-V228 HydrophobicContact CD2-CB 4.06Å; F187-V228 HydrophobicContact CD2-CG2 4.23Å; F187-V228 HydrophobicContact CE1-CB 4.09Å; F187-V228 HydrophobicContact CE1-CG1 4.04Å; F187-V228 HydrophobicContact CE2-CB 3.64Å; F187-V228 HydrophobicContact CE2-CG1 4.03Å; F187-V228 HydrophobicContact CE2-CG2 3.75Å; F187-V228 HydrophobicContact CG-CB 4.45Å; F187-V228 HydrophobicContact CZ-CB 3.65Å; F187-V228 HydrophobicContact CZ-CG1 3.58Å; F187-V228 HydrophobicContact CZ-CG2 4.19Å; F187-V228 PolarHBondContact N-O 3.11Å; F187-V228 VanDerWaalsContact N-O 3.07Å; F187-V228 PolarHBondContact O-N 2.74Å |
| 188 | L | 92 | Very high | 87.9 | Confident | 8 Ų | 8 | 49.1 Ų | 49.1 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 117.9 | 177.6 | -75.6 | 167.5 | 0 | 0 | 0 | 110.5 | L161 D191 F215 V217 K225 T226 L227 M250 | L161-L188 HydrophobicContact CD2-CD1 4.22Å; L161-L188 HydrophobicContact CD2-CD2 4.05Å; L188-D191 CarbonylContact O-C 3.56Å; L188-D191 WeakPolarHBondContact O-CA 3.48Å; L188-D191 PolarHBondContact O-N 2.85Å; L188-D191 VanDerWaalsContact O-O 3.13Å; L188-F215 HydrophobicContact CD1-CB 3.66Å; L188-F215 HydrophobicContact CD1-CD1 3.58Å; L188-F215 HydrophobicContact CD1-CD2 4.37Å; L188-F215 HydrophobicContact CD1-CE1 4.28Å; L188-F215 HydrophobicContact CD1-CG 3.63Å; L188-F215 HydrophobicContact CG-CD1 4.01Å; L188-F215 HydrophobicContact CG-CE1 4.2Å; L188-F215 HydrophobicContact CG-CG 4.27Å; L188-V217 HydrophobicContact CD1-CG2 3.85Å; L188-K225 HydrophobicContact CD2-CB 4.39Å; L188-T226 CarbonylContact C-O 3.32Å; L188-T226 WeakPolarHBondContact CA-O 3.26Å; L188-L227 HydrophobicContact CD2-CB 3.94Å; L188-L227 HydrophobicContact CD2-CD1 3.95Å; L188-L227 HydrophobicContact CG-CD1 4.25Å; L188-M250 HydrophobicContact CD2-CG 4.34Å; L188-M250 HydrophobicContact CD2-SD 4.12Å |
| 189 | L | 88.3 | Confident | 88.7 | Confident | 48 Ų | 48 | 53.1 Ų | 53.1 | 25% | 0.251 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 142.5 | 165.3 | -65.5 | 175.5 | 0 | 0 | 0 | 109.9 | F187 K192 K225 T226 V228 | F187-L189 HydrophobicContact CD2-CD2 4.32Å; F187-L189 HydrophobicContact CE2-CD2 4Å; F187-L189 HydrophobicContact CE2-CG 4.28Å; L189-K192 HydrophobicContact CD2-CD 4.35Å; L189-K192 HydrophobicContact CD2-CG 3.67Å; L189-K225 VanDerWaalsContact O-CA 3.27Å; L189-K225 WeakPolarHBondContact O-CA 3.4Å; L189-K225 VanDerWaalsContact O-CB 3.3Å; L189-K225 WeakPolarHBondContact O-CB 3.32Å; L189-T226 PolarHBondContact N-O 3Å; L189-T226 PolarHBondContact O-N 3.04Å; L189-T226 VanDerWaalsContact O-N 3.1Å; L189-V228 HydrophobicContact CD1-CG2 3.66Å; L189-V228 HydrophobicContact CG-CG2 3.74Å |
| 190 | P | 79.9 | Confident | 89.1 | Confident | 106 Ų | 106 | 54.2 Ų | 54.2 | 69% | 0.688 | 26% | 0.257 | S | S | * | . | S | Bend | cis | -83 | -5.9 | 4.3 | 32.6 | -36.2 | 0 | 0 | 0 | 115.7 | K192 | P190-K192 VanDerWaalsContact C-N 3.34Å; P190-K192 PolarHBondContact O-N 3.38Å |
| 191 | D | 76.3 | Confident | 89.3 | Confident | 61 Ų | 61 | 56.6 Ų | 56.6 | 33% | 0.326 | 27% | 0.268 | S | S | . | . | trans | -78.9 | 73.1 | -177.5 | -172.8 | 16.9 | 0 | 0 | 0 | 113.6 | L188 K193 | L188-D191 CarbonylContact O-C 3.56Å; L188-D191 WeakPolarHBondContact O-CA 3.48Å; L188-D191 PolarHBondContact O-N 2.85Å; L188-D191 VanDerWaalsContact O-O 3.13Å; D191-K193 PolarHBondContact O-N 2.66Å; D191-K193 VanDerWaalsContact OD1-CB 3.26Å; D191-K193 WeakPolarHBondContact OD1-CB 3.01Å; D191-K193 WeakPolarHBondContact OD1-CG 3.49Å; D191-K193 PolarHBondContact OD1-N 2.64Å | ||
| 192 | K | 72.2 | Confident | 89.3 | Confident | 96 Ų | 96 | 64.4 Ų | 64.4 | 42% | 0.417 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -4 | 172.8 | -76.9 | -163.5 | 170.2 | -160.7 | 0 | 115 | F187 L189 P190 K195 E271 | F187-K192 HydrophobicContact CE2-CG 4.49Å; L189-K192 HydrophobicContact CD2-CD 4.35Å; L189-K192 HydrophobicContact CD2-CG 3.67Å; P190-K192 VanDerWaalsContact C-N 3.34Å; P190-K192 PolarHBondContact O-N 3.38Å; K192-K195 WeakPolarHBondContact O-CE 3.36Å; K192-K195 WeakPolarHBondContact O-CG 3.17Å; K192-E271 IonicContact NZ-OE1 2.75Å; K192-E271 PolarHBondContact NZ-OE1 3.01Å |
| 193 | K | 70.5 | Confident | 89 | Confident | 192 Ų | 192 | 71.6 Ų | 71.6 | 84% | 0.835 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -36.6 | -177.8 | -57.9 | 176.8 | 179.6 | 175.2 | 0 | 113 | D191 K195 | D191-K193 PolarHBondContact O-N 2.66Å; D191-K193 VanDerWaalsContact OD1-CB 3.26Å; D191-K193 WeakPolarHBondContact OD1-CB 3.01Å; D191-K193 WeakPolarHBondContact OD1-CG 3.49Å; D191-K193 PolarHBondContact OD1-N 2.64Å; K193-K195 PolarHBondContact O-N 3.23Å |
| 194 | K | 79.6 | Confident | 88.8 | Confident | 107 Ų | 107 | 73 Ų | 73 | 47% | 0.465 | 34% | 0.337 | S | S | . | . | trans | -88.4 | 90.2 | 177.5 | -70.3 | 175.8 | -175 | 165.3 | 0 | 109.6 | F187 | F187-K194 WeakPolarHBondContact CB-O 3.23Š| ||
| 195 | K | 89.5 | Confident | 88.6 | Confident | 80 Ų | 80 | 75.2 Ų | 75.2 | 35% | 0.348 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 130.8 | 171.7 | -53.2 | -168.1 | 177.8 | -171 | 0 | 109.4 | F187 K192 K193 E271 | F187-K195 HydrophobicContact CB-CG 4.07Å; F187-K195 HydrophobicContact CD1-CG 4.47Å; F187-K195 HydrophobicContact CG-CG 4.42Å; K192-K195 WeakPolarHBondContact O-CE 3.36Å; K192-K195 WeakPolarHBondContact O-CG 3.17Å; K193-K195 PolarHBondContact O-N 3.23Å; K195-E271 IonicContact NZ-OE1 3.35Å |
| 196 | Y | 93.8 | Very high | 88.5 | Confident | 86 Ų | 86 | 78.1 Ų | 78.1 | 34% | 0.337 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 150.3 | 164.7 | -64.5 | -95.6 | 0 | 0 | 0 | 108.5 | K185 V186 F213 T214 F215 | K185-Y196 CarbonylContact C-O 3.13Å; K185-Y196 WeakPolarHBondContact CA-O 3.29Å; V186-Y196 PolarHBondContact N-O 3.13Å; V186-Y196 PolarHBondContact O-N 2.96Å; Y196-F213 HydrophobicContact CD1-CB 4.25Å; Y196-F213 AromaticContact CD1-CD1 3.63Å; Y196-F213 HydrophobicContact CD1-CD1 3.63Å; Y196-F213 HydrophobicContact CD1-CE1 4.36Å; Y196-F213 HydrophobicContact CD1-CG 4.21Å; Y196-F213 HydrophobicContact CD2-CB 4.38Å; Y196-F213 HydrophobicContact CG-CB 4.06Å; Y196-F213 AromaticContact CG-CD1 3.81Å; Y196-F213 HydrophobicContact CG-CD1 3.81Å; Y196-F213 HydrophobicContact CG-CG 4.01Å; Y196-T214 PolarHBondContact OH-O 3.09Å; Y196-F215 HydrophobicContact CD2-CD1 4.36Å; Y196-F215 AromaticContact CD2-CE1 3.62Å; Y196-F215 HydrophobicContact CD2-CE1 3.62Å; Y196-F215 HydrophobicContact CD2-CE2 4.09Å; Y196-F215 AromaticContact CD2-CZ 3.46Å; Y196-F215 HydrophobicContact CD2-CZ 3.46Å; Y196-F215 VanDerWaalsContact CD2-CZ 3.46Å; Y196-F215 AromaticContact CE2-CD1 3.86Å; Y196-F215 HydrophobicContact CE2-CD1 3.86Å; Y196-F215 AromaticContact CE2-CE1 3.56Å; Y196-F215 HydrophobicContact CE2-CE1 3.56Å; Y196-F215 HydrophobicContact CE2-CE2 4.29Å; Y196-F215 HydrophobicContact CE2-CG 4.36Å; Y196-F215 AromaticContact CE2-CZ 3.8Å; Y196-F215 HydrophobicContact CE2-CZ 3.8Å |
| 197 | E | 94.6 | Very high | 88.5 | Confident | 91 Ų | 91 | 78.2 Ų | 78.2 | 43% | 0.425 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 134.5 | 178.4 | -49.5 | -161 | 163.3 | 0 | 0 | 108.5 | Y183 V184 K185 | Y183-E197 HydrophobicContact CD2-CB 4.28Å; Y183-E197 HydrophobicContact CE2-CB 4.14Å; Y183-E197 HydrophobicContact CE2-CG 4.45Å; Y183-E197 VanDerWaalsContact CE2-OE2 3.3Å; Y183-E197 WeakPolarHBondContact CE2-OE2 3.45Å; V184-E197 CarbonylContact O-C 3.58Å; V184-E197 WeakPolarHBondContact O-CA 3.39Å; K185-E197 WeakPolarHBondContact CD-OE1 3.33Å; K185-E197 WeakPolarHBondContact CE-OE1 3.34Å; K185-E197 HydrophobicContact CG-CG 4.04Å; K185-E197 VanDerWaalsContact NZ-CD 3.33Å; K185-E197 IonicContact NZ-OE1 2.64Å; K185-E197 PolarHBondContact NZ-OE1 3.03Å; K185-E197 IonicContact NZ-OE2 3.81Å; K185-E197 PolarHBondContact NZ-OE2 3.05Å |
| 198 | T | 96.3 | Very high | 88.6 | Confident | 9 Ų | 9 | 80.9 Ų | 80.9 | 6% | 0.055 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 167.5 | 170.9 | 67.3 | 0 | 0 | 0 | 0 | 110.6 | I165 V184 F209 E211 F213 | I165-T198 HydrophobicContact CB-CG2 4.22Å; I165-T198 HydrophobicContact CG1-CG2 4.4Å; I165-T198 HydrophobicContact CG2-CG2 4.13Å; V184-T198 HydrophobicContact CB-CG2 3.92Å; V184-T198 HydrophobicContact CG2-CG2 4.37Å; V184-T198 PolarHBondContact N-OG1 3.26Å; V184-T198 PolarHBondContact O-N 3.24Å; T198-F209 HydrophobicContact CG2-CB 4.4Å; T198-F209 HydrophobicContact CG2-CD1 4.1Å; T198-F209 HydrophobicContact CG2-CG 4.25Å; T198-F209 WeakPolarHBondContact OG1-CD1 3.33Å; T198-F209 WeakPolarHBondContact OG1-CE1 3.49Å; T198-E211 VanDerWaalsContact CA-OE1 3.28Å; T198-E211 WeakPolarHBondContact CA-OE1 3.47Å; T198-E211 VanDerWaalsContact CB-OE1 3.28Å; T198-E211 WeakPolarHBondContact CB-OE1 3.18Å; T198-F213 HydrophobicContact CG2-CE2 3.9Å; T198-F213 HydrophobicContact CG2-CZ 3.88Å |
| 199 | K | 94.7 | Very high | 88.8 | Confident | 135 Ų | 135 | 81.1 Ų | 81.1 | 59% | 0.587 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 152.6 | 162.2 | -64.7 | 160.6 | -172.4 | 123 | 0 | 110.2 | Y183 H201 E211 | Y183-K199 WeakPolarHBondContact CB-O 3.44Å; K199-H201 PolarHBondContact O-CD2 2.89Å; K199-E211 VanDerWaalsContact CE-OE2 3.3Å; K199-E211 WeakPolarHBondContact CE-OE2 3.43Å; K199-E211 WeakPolarHBondContact CG-OE1 3.01Å; K199-E211 PolarHBondContact N-OE1 2.65Å; K199-E211 IonicContact NZ-OE2 2.69Å; K199-E211 PolarHBondContact NZ-OE2 2.86Å |
| 200 | V | 94.5 | Very high | 89.1 | Confident | 53 Ų | 53 | 84.3 Ų | 84.3 | 32% | 0.321 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -84.8 | 117.6 | 173.6 | 174.9 | 0 | 0 | 0 | 0 | 109.2 | D181 Y183 F234 | D181-V200 HydrophobicContact CB-CG1 3.93Å; Y183-V200 HydrophobicContact CD1-CG2 4.23Å; Y183-V200 HydrophobicContact CG-CG2 4.11Å; V200-F234 HydrophobicContact CB-CB 4.37Å; V200-F234 HydrophobicContact CB-CG 4.46Å; V200-F234 HydrophobicContact CG1-CB 3.52Å; V200-F234 HydrophobicContact CG1-CD1 4.07Å; V200-F234 HydrophobicContact CG1-CG 3.8Å; V200-F234 HydrophobicContact CG2-CB 3.87Å; V200-F234 HydrophobicContact CG2-CD2 3.83Å; V200-F234 HydrophobicContact CG2-CG 3.85Å |
| 201 | H | 92.4 | Very high | 89.9 | Confident | 50 Ų | 50 | 80.7 Ų | 80.7 | 23% | 0.231 | 38% | 0.375 | C | S | . | . | trans | -95.6 | 112.7 | 176.8 | -76.5 | -109.1 | 0 | 0 | 0 | 109.1 | D181 P182 K199 T204 P207 V208 F209 | D181-H201 CarbonylContact C-O 3.59Å; D181-H201 WeakPolarHBondContact CA-O 3.44Å; P182-H201 WeakPolarHBondContact CD-O 3.47Å; P182-H201 PolarHBondContact O-N 3.47Å; K199-H201 PolarHBondContact O-CD2 2.89Å; H201-T204 HydrophobicContact CB-CG2 3.85Å; H201-P207 HydrophobicContact CB-CB 3.82Å; H201-V208 PolarHBondContact CE1-O 3.2Å; H201-V208 PolarHBondContact ND1-O 2.93Å; H201-F209 AromaticContact CD2-CD1 3.39Å; H201-F209 WeakPolarHBondContact CD2-CD1 3.37Å; H201-F209 AromaticContact CD2-CE1 3.56Å; H201-F209 AromaticContact NE2-CD1 3.65Å | ||
| 202 | R | 90.5 | Very high | 90.8 | Very high | 181 Ų | 181 | 83.8 Ų | 83.8 | 68% | 0.683 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | 141.3 | -172.1 | -63.4 | -150.8 | 171.2 | 112.7 | 8.8 | 113.9 | D181 T204 | D181-R202 WeakPolarHBondContact OD1-CA 3.38Å; D181-R202 WeakPolarHBondContact OD1-CB 3.35Å; D181-R202 WeakPolarHBondContact OD2-CD 3.2Å; D181-R202 WeakPolarHBondContact OD2-CG 3.28Å; D181-R202 IonicContact OD2-NE 2.87Å; D181-R202 PolarHBondContact OD2-NE 3.4Å; R202-T204 PolarHBondContact O-N 2.85Å |
| 203 | K | 88.8 | Confident | 91.9 | Very high | 152 Ų | 152 | 80.2 Ų | 80.2 | 66% | 0.661 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 47.6 | 169.8 | -60.4 | -167.6 | 174.4 | -167.9 | 0 | 114.4 | T179 S180 D181 | T179-K203 HydrophobicContact CG2-CB 4.13Å; S180-K203 CarbonylContact O-C 3.53Å; S180-K203 WeakPolarHBondContact O-CA 3.27Å; S180-K203 PolarHBondContact O-N 2.92Å; D181-K203 PolarHBondContact OD1-N 2.74Å |
| 204 | T | 92.1 | Very high | 93 | Very high | 35 Ų | 35 | 73.4 Ų | 73.4 | 22% | 0.215 | 35% | 0.347 | C | S | . | . | trans | -138.2 | 142.1 | 178.1 | -177.8 | 0 | 0 | 0 | 0 | 111.6 | S180 P182 H201 R202 N206 P207 | S180-T204 PolarHBondContact O-N 2.86Å; P182-T204 WeakPolarHBondContact CD-O 3.47Å; P182-T204 HydrophobicContact CG-CG2 4.1Å; P182-T204 VanDerWaalsContact CG-O 3.28Å; P182-T204 WeakPolarHBondContact CG-O 3.4Å; H201-T204 HydrophobicContact CB-CG2 3.85Å; R202-T204 PolarHBondContact O-N 2.85Å; T204-N206 VanDerWaalsContact OG1-C 3.28Å; T204-N206 PolarHBondContact OG1-N 2.91Å; T204-N206 PolarHBondContact OG1-O 2.79Å; T204-P207 HydrophobicContact CG2-CB 3.83Å | ||
| 205 | L | 90.8 | Very high | 93.7 | Very high | 47 Ų | 47 | 68.5 Ų | 68.5 | 25% | 0.246 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -100.3 | -1.6 | 171.3 | -54.5 | -177.7 | 0 | 0 | 0 | 112.1 | L171 A173 | L171-L205 HydrophobicContact CB-CB 4.46Å; L171-L205 WeakPolarHBondContact CB-O 3.15Å; L171-L205 WeakPolarHBondContact CG-O 3.32Å; L171-L205 PolarHBondContact N-O 2.86Å; L171-L205 VanDerWaalsContact N-O 3.1Å; L171-L205 WeakPolarHBondContact O-CB 3.38Å; A173-L205 HydrophobicContact CB-CD1 4.17Å; A173-L205 HydrophobicContact CB-CD2 3.98Å |
| 206 | N | 93.4 | Very high | 93.8 | Very high | 93 Ų | 93 | 71.8 Ų | 71.8 | 50% | 0.497 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -135.5 | 71.4 | 176.9 | -51.3 | -80.4 | 0 | 0 | 0 | 109.1 | A168 A169 E170 T204 | A168-N206 CarbonylContact O-C 3.56Å; A168-N206 WeakPolarHBondContact O-CA 3.29Å; A169-N206 VanDerWaalsContact CA-OD1 3.22Å; A169-N206 WeakPolarHBondContact CA-OD1 3.42Å; E170-N206 PolarHBondContact N-OD1 3.39Å; T204-N206 VanDerWaalsContact OG1-C 3.28Å; T204-N206 PolarHBondContact OG1-N 2.91Å; T204-N206 PolarHBondContact OG1-O 2.79Å |
| 207 | P | 94.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | trans | -74.6 | 137 | -179.8 | 30.9 | -36.3 | 0 | 0 | 0 | 111.9 | Q167 A168 L171 P182 H201 T204 F209 | Q167-P207 CarbonylContact C-O 3.6Å; Q167-P207 WeakPolarHBondContact CA-O 3.33Å; Q167-P207 VanDerWaalsContact CB-O 3.28Å; Q167-P207 WeakPolarHBondContact CB-O 3.39Å; A168-P207 HydrophobicContact CB-CG 3.95Å; A168-P207 PolarHBondContact N-O 3.21Å; A168-P207 WeakPolarHBondContact O-CD 3.45Å; L171-P207 HydrophobicContact CD1-CG 3.91Å; P182-P207 HydrophobicContact CB-CG 4.17Å; P182-P207 HydrophobicContact CG-CB 3.92Å; P182-P207 HydrophobicContact CG-CG 3.65Å; H201-P207 HydrophobicContact CB-CB 3.82Å; T204-P207 HydrophobicContact CG2-CB 3.83Å; P207-F209 HydrophobicContact CB-CD2 4.46Å; P207-F209 HydrophobicContact CB-CE1 3.97Å; P207-F209 HydrophobicContact CB-CE2 3.81Å; P207-F209 HydrophobicContact CB-CZ 3.53Å; P207-F209 HydrophobicContact CG-CD2 4.48Å; P207-F209 HydrophobicContact CG-CE1 4.33Å; P207-F209 HydrophobicContact CG-CE2 3.51Å; P207-F209 HydrophobicContact CG-CZ 3.42Å; P207-F209 VanDerWaalsContact CG-CZ 3.42Å | ||
| 208 | V | 96.4 | Very high | 93.4 | Very high | 67 Ų | 67 | 66.4 Ų | 66.4 | 41% | 0.406 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 107.5 | 170.8 | -178.7 | 0 | 0 | 0 | 0 | 108.1 | Q167 H201 N210 | Q167-V208 HydrophobicContact CB-CB 4.36Å; Q167-V208 HydrophobicContact CB-CG1 4.48Å; Q167-V208 HydrophobicContact CB-CG2 4.08Å; H201-V208 PolarHBondContact CE1-O 3.2Å; H201-V208 PolarHBondContact ND1-O 2.93Å; V208-N210 WeakPolarHBondContact CG1-ND2 3.26Å |
| 209 | F | 95.4 | Very high | 93 | Very high | 13 Ų | 13 | 71.6 Ų | 71.6 | 6% | 0.057 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -52.2 | -174.4 | -58.4 | -76.8 | 0 | 0 | 0 | 111.5 | I165 I166 A168 V184 T198 H201 P207 E211 | I165-F209 HydrophobicContact CG2-CB 4.23Å; I165-F209 HydrophobicContact CG2-CD2 3.71Å; I165-F209 HydrophobicContact CG2-CE2 4.38Å; I165-F209 HydrophobicContact CG2-CG 4.16Å; I166-F209 PolarHBondContact O-N 3.18Å; A168-F209 HydrophobicContact CB-CE2 4.35Å; V184-F209 HydrophobicContact CG2-CD2 4.22Å; V184-F209 HydrophobicContact CG2-CE1 4.4Å; V184-F209 HydrophobicContact CG2-CE2 3.59Å; V184-F209 HydrophobicContact CG2-CZ 3.7Å; T198-F209 HydrophobicContact CG2-CB 4.4Å; T198-F209 HydrophobicContact CG2-CD1 4.1Å; T198-F209 HydrophobicContact CG2-CG 4.25Å; T198-F209 WeakPolarHBondContact OG1-CD1 3.33Å; T198-F209 WeakPolarHBondContact OG1-CE1 3.49Å; H201-F209 AromaticContact CD2-CD1 3.39Å; H201-F209 WeakPolarHBondContact CD2-CD1 3.37Å; H201-F209 AromaticContact CD2-CE1 3.56Å; H201-F209 AromaticContact NE2-CD1 3.65Å; P207-F209 HydrophobicContact CB-CD2 4.46Å; P207-F209 HydrophobicContact CB-CE1 3.97Å; P207-F209 HydrophobicContact CB-CE2 3.81Å; P207-F209 HydrophobicContact CB-CZ 3.53Å; P207-F209 HydrophobicContact CG-CD2 4.48Å; P207-F209 HydrophobicContact CG-CE1 4.33Å; P207-F209 HydrophobicContact CG-CE2 3.51Å; P207-F209 HydrophobicContact CG-CZ 3.42Å; P207-F209 VanDerWaalsContact CG-CZ 3.42Å; F209-E211 VanDerWaalsContact C-N 3.32Å; F209-E211 HydrophobicContact CB-CG 4.45Å; F209-E211 WeakPolarHBondContact O-CG 3.48Å; F209-E211 PolarHBondContact O-N 2.81Å |
| 210 | N | 95.1 | Very high | 92.8 | Very high | 116 Ų | 116 | 70.7 Ų | 70.7 | 62% | 0.62 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 47.5 | 49.8 | -172 | -66.3 | -28.3 | 0 | 0 | 0 | 113.2 | I165 I166 V208 | I165-N210 WeakPolarHBondContact O-CA 3.21Å; I165-N210 PolarHBondContact O-N 2.92Å; I165-N210 VanDerWaalsContact O-N 3.12Å; I166-N210 PolarHBondContact O-N 3.43Å; I166-N210 PolarHBondContact O-OD1 2.97Å; V208-N210 WeakPolarHBondContact CG1-ND2 3.26Å |
| 211 | E | 95.9 | Very high | 92.5 | Very high | 30 Ų | 30 | 73 Ų | 73 | 14% | 0.14 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 138.2 | 178.8 | -58.1 | -160.6 | -98.6 | 0 | 0 | 111.2 | I165 T198 K199 F209 F213 | I165-E211 PolarHBondContact N-O 2.94Å; I165-E211 PolarHBondContact O-N 2.86Å; T198-E211 VanDerWaalsContact CA-OE1 3.28Å; T198-E211 WeakPolarHBondContact CA-OE1 3.47Å; T198-E211 VanDerWaalsContact CB-OE1 3.28Å; T198-E211 WeakPolarHBondContact CB-OE1 3.18Å; K199-E211 VanDerWaalsContact CE-OE2 3.3Å; K199-E211 WeakPolarHBondContact CE-OE2 3.43Å; K199-E211 WeakPolarHBondContact CG-OE1 3.01Å; K199-E211 PolarHBondContact N-OE1 2.65Å; K199-E211 IonicContact NZ-OE2 2.69Å; K199-E211 PolarHBondContact NZ-OE2 2.86Å; F209-E211 VanDerWaalsContact C-N 3.32Å; F209-E211 HydrophobicContact CB-CG 4.45Å; F209-E211 WeakPolarHBondContact O-CG 3.48Å; F209-E211 PolarHBondContact O-N 2.81Å; E211-F213 HydrophobicContact CB-CE2 4.46Å; E211-F213 HydrophobicContact CB-CZ 4.1Å |
| 212 | Q | 95.4 | Very high | 92.3 | Very high | 125 Ų | 125 | 70.7 Ų | 70.7 | 58% | 0.584 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 132.1 | -178.4 | -164.7 | -179.6 | 23 | 0 | 0 | 110.6 | V163 | V163-Q212 WeakPolarHBondContact O-CA 3.33Å |
| 213 | F | 95.4 | Very high | 92.1 | Very high | 22 Ų | 22 | 64.1 Ų | 64.1 | 10% | 0.096 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 149.7 | 179.8 | -54.4 | -64 | 0 | 0 | 0 | 110.8 | V163 I165 V186 Y196 T198 E211 F215 | V163-F213 PolarHBondContact N-O 2.97Å; V163-F213 PolarHBondContact O-N 3.04Å; I165-F213 HydrophobicContact CG1-CD2 4.17Å; I165-F213 HydrophobicContact CG1-CE2 3.86Å; V186-F213 HydrophobicContact CB-CD2 4.25Å; V186-F213 HydrophobicContact CG2-CD2 3.89Å; V186-F213 HydrophobicContact CG2-CE2 3.86Å; Y196-F213 HydrophobicContact CD1-CB 4.25Å; Y196-F213 AromaticContact CD1-CD1 3.63Å; Y196-F213 HydrophobicContact CD1-CD1 3.63Å; Y196-F213 HydrophobicContact CD1-CE1 4.36Å; Y196-F213 HydrophobicContact CD1-CG 4.21Å; Y196-F213 HydrophobicContact CD2-CB 4.38Å; Y196-F213 HydrophobicContact CG-CB 4.06Å; Y196-F213 AromaticContact CG-CD1 3.81Å; Y196-F213 HydrophobicContact CG-CD1 3.81Å; Y196-F213 HydrophobicContact CG-CG 4.01Å; T198-F213 HydrophobicContact CG2-CE2 3.9Å; T198-F213 HydrophobicContact CG2-CZ 3.88Å; E211-F213 HydrophobicContact CB-CE2 4.46Å; E211-F213 HydrophobicContact CB-CZ 4.1Å; F213-F215 HydrophobicContact CB-CE2 4.36Å |
| 214 | T | 94.4 | Very high | 92 | Very high | 49 Ų | 49 | 60.2 Ų | 60.2 | 30% | 0.301 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 109.1 | -171.9 | -48.9 | 0 | 0 | 0 | 0 | 111 | Q160 L161 L162 Y196 | Q160-T214 HydrophobicContact CB-CG2 3.65Å; Q160-T214 HydrophobicContact CG-CG2 4.37Å; L161-T214 CarbonylContact O-C 3.51Å; L161-T214 WeakPolarHBondContact O-CA 3.36Å; L162-T214 HydrophobicContact CD2-CG2 3.77Å; L162-T214 WeakPolarHBondContact CD2-OG1 3.19Å; Y196-T214 PolarHBondContact OH-O 3.09Å |
| 215 | F | 93.1 | Very high | 92 | Very high | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.018 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 109.3 | 179 | -66.5 | -94.3 | 0 | 0 | 0 | 110.6 | Q160 L161 V163 V186 L188 Y196 F213 V217 L227 | Q160-F215 WeakPolarHBondContact CA-O 3.41Å; L161-F215 HydrophobicContact CB-CB 4.29Å; L161-F215 PolarHBondContact N-O 3.34Å; L161-F215 PolarHBondContact O-N 2.89Å; V163-F215 HydrophobicContact CB-CE2 4.4Å; V163-F215 HydrophobicContact CG2-CD2 3.93Å; V163-F215 HydrophobicContact CG2-CE2 3.93Å; V186-F215 HydrophobicContact CB-CZ 4.45Å; V186-F215 HydrophobicContact CG1-CE2 3.86Å; V186-F215 HydrophobicContact CG1-CZ 3.88Å; L188-F215 HydrophobicContact CD1-CB 3.66Å; L188-F215 HydrophobicContact CD1-CD1 3.58Å; L188-F215 HydrophobicContact CD1-CD2 4.37Å; L188-F215 HydrophobicContact CD1-CE1 4.28Å; L188-F215 HydrophobicContact CD1-CG 3.63Å; L188-F215 HydrophobicContact CG-CD1 4.01Å; L188-F215 HydrophobicContact CG-CE1 4.2Å; L188-F215 HydrophobicContact CG-CG 4.27Å; Y196-F215 HydrophobicContact CD2-CD1 4.36Å; Y196-F215 AromaticContact CD2-CE1 3.62Å; Y196-F215 HydrophobicContact CD2-CE1 3.62Å; Y196-F215 HydrophobicContact CD2-CE2 4.09Å; Y196-F215 AromaticContact CD2-CZ 3.46Å; Y196-F215 HydrophobicContact CD2-CZ 3.46Å; Y196-F215 VanDerWaalsContact CD2-CZ 3.46Å; Y196-F215 AromaticContact CE2-CD1 3.86Å; Y196-F215 HydrophobicContact CE2-CD1 3.86Å; Y196-F215 AromaticContact CE2-CE1 3.56Å; Y196-F215 HydrophobicContact CE2-CE1 3.56Å; Y196-F215 HydrophobicContact CE2-CE2 4.29Å; Y196-F215 HydrophobicContact CE2-CG 4.36Å; Y196-F215 AromaticContact CE2-CZ 3.8Å; Y196-F215 HydrophobicContact CE2-CZ 3.8Å; F213-F215 HydrophobicContact CB-CE2 4.36Å; F215-V217 HydrophobicContact CB-CG2 4.28Å; F215-V217 PolarHBondContact O-N 2.92Å; F215-L227 HydrophobicContact CE2-CD1 4.27Å |
| 216 | K | 91.6 | Very high | 92.1 | Very high | 148 Ų | 148 | 60 Ų | 60 | 64% | 0.643 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 101.5 | 172.8 | -56.1 | -162.9 | 176.1 | -169.4 | 0 | 110 | Q160 | Q160-K216 HydrophobicContact CG-CG 4.08Å; Q160-K216 VanDerWaalsContact OE1-CE 3.3Å |
| 217 | V | 89.9 | Confident | 92.2 | Very high | 13 Ų | 13 | 55.6 Ų | 55.6 | 8% | 0.079 | 32% | 0.315 | C | S | . | . | trans | -149 | 121.6 | -172.6 | 168.7 | 0 | 0 | 0 | 0 | 108.7 | Y154 N159 L188 F215 E221 L222 K225 | Y154-V217 WeakPolarHBondContact CE2-O 3.43Å; Y154-V217 PolarHBondContact OH-O 2.92Å; N159-V217 CarbonylContact O-C 3.53Å; N159-V217 PolarHBondContact O-N 2.88Å; N159-V217 VanDerWaalsContact O-O 3.1Å; L188-V217 HydrophobicContact CD1-CG2 3.85Å; F215-V217 HydrophobicContact CB-CG2 4.28Å; F215-V217 PolarHBondContact O-N 2.92Å; V217-E221 HydrophobicContact CG1-CB 4.46Å; V217-L222 HydrophobicContact CG1-CB 4.34Å; V217-L222 HydrophobicContact CG1-CD1 4.11Å; V217-K225 HydrophobicContact CG1-CD 4Å; V217-K225 HydrophobicContact CG2-CD 4.46Å | ||
| 218 | P | 90.9 | Very high | 92.1 | Very high | 51 Ų | 51 | 55.6 Ų | 55.6 | 33% | 0.331 | 32% | 0.315 | S | S | . | . | trans | -63.2 | 141.4 | 173.5 | -20.9 | 33.2 | 0 | 0 | 0 | 112.1 | S220 E221 L222 | P218-S220 PolarHBondContact O-N 2.83Å; P218-E221 PolarHBondContact O-N 2.98Å; P218-L222 PolarHBondContact O-N 3.49Å | ||
| 219 | Y | 88.8 | Confident | 92.1 | Very high | 119 Ų | 119 | 52.4 Ų | 52.4 | 47% | 0.467 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.1 | -35.7 | -178.5 | -172.8 | -100.9 | 0 | 0 | 0 | 112.8 | Y154 F156 E221 L222 F255 | Y154-Y219 AromaticContact CD1-CD2 3.94Å; Y154-Y219 HydrophobicContact CD1-CD2 3.94Å; Y154-Y219 AromaticContact CE1-CD2 3.9Å; Y154-Y219 HydrophobicContact CE1-CD2 3.9Å; Y154-Y219 HydrophobicContact CE1-CG 4.31Å; Y154-Y219 HydrophobicContact CG-CD2 4.35Å; Y154-Y219 PolarHBondContact OH-N 3.06Å; F156-Y219 HydrophobicContact CD1-CD2 4.45Å; F156-Y219 AromaticContact CE1-CD2 3.66Å; F156-Y219 HydrophobicContact CE1-CD2 3.66Å; F156-Y219 AromaticContact CE1-CE2 3.72Å; F156-Y219 HydrophobicContact CE1-CE2 3.72Å; F156-Y219 HydrophobicContact CE1-CG 4.13Å; F156-Y219 HydrophobicContact CZ-CD2 4.31Å; F156-Y219 HydrophobicContact CZ-CE2 4.04Å; Y219-E221 PolarHBondContact O-N 2.96Å; Y219-L222 HydrophobicContact CD2-CD2 4.11Å; Y219-L222 HydrophobicContact CE2-CD2 4.46Å; Y219-L222 VanDerWaalsContact O-CB 3.31Å; Y219-L222 WeakPolarHBondContact O-CB 3.49Å; Y219-L222 PolarHBondContact O-N 3.4Å; Y219-F255 HydrophobicContact CE2-CB 4.45Å; Y219-F255 HydrophobicContact CE2-CD2 4.13Å |
| 220 | S | 89.3 | Confident | 92 | Very high | 115 Ų | 115 | 51.8 Ų | 51.8 | 80% | 0.804 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.5 | -25.7 | 175.5 | 50.9 | 0 | 0 | 0 | 0 | 114.4 | P218 | P218-S220 PolarHBondContact O-N 2.83Å |
| 221 | E | 88.3 | Confident | 92 | Very high | 102 Ų | 102 | 46.3 Ų | 46.3 | 48% | 0.477 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -90.7 | -16.6 | 172.7 | -67.5 | -171.9 | -146.6 | 0 | 0 | 113.2 | V217 P218 Y219 G224 K225 | V217-E221 HydrophobicContact CG1-CB 4.46Å; P218-E221 PolarHBondContact O-N 2.98Å; Y219-E221 PolarHBondContact O-N 2.96Å; E221-G224 PolarHBondContact O-N 3.22Å; E221-K225 WeakPolarHBondContact O-CE 3.34Å; E221-K225 IonicContact OE2-NZ 2.84Å; E221-K225 PolarHBondContact OE2-NZ 3.03Å |
| 222 | L | 88.1 | Confident | 91.9 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.8 | -45.3 | -165.1 | -175.4 | 59.2 | 0 | 0 | 0 | 111.9 | Y154 L161 V217 P218 Y219 G224 K225 M250 F255 | Y154-L222 HydrophobicContact CD2-CD2 3.63Å; Y154-L222 HydrophobicContact CE2-CD2 3.89Å; Y154-L222 HydrophobicContact CG-CD2 4.35Å; L161-L222 HydrophobicContact CD2-CD1 4.31Å; V217-L222 HydrophobicContact CG1-CB 4.34Å; V217-L222 HydrophobicContact CG1-CD1 4.11Å; P218-L222 PolarHBondContact O-N 3.49Å; Y219-L222 HydrophobicContact CD2-CD2 4.11Å; Y219-L222 HydrophobicContact CE2-CD2 4.46Å; Y219-L222 VanDerWaalsContact O-CB 3.31Å; Y219-L222 WeakPolarHBondContact O-CB 3.49Å; Y219-L222 PolarHBondContact O-N 3.4Å; L222-G224 PolarHBondContact O-N 2.67Å; L222-K225 WeakPolarHBondContact O-CB 3.47Å; L222-K225 PolarHBondContact O-N 3.35Å; L222-M250 HydrophobicContact CD1-CB 3.99Å; L222-M250 HydrophobicContact CD1-CG 3.85Å; L222-M250 HydrophobicContact CD1-SD 3.98Å; L222-M250 HydrophobicContact CG-CB 3.96Å; L222-M250 HydrophobicContact CG-CG 4.39Å; L222-M250 WeakPolarHBondContact O-CB 3.47Å; L222-F255 HydrophobicContact CD2-CD2 4.03Å; L222-F255 HydrophobicContact CD2-CE1 4.48Å; L222-F255 HydrophobicContact CD2-CE2 3.55Å; L222-F255 HydrophobicContact CD2-CZ 3.81Å; L222-F255 HydrophobicContact CG-CE2 4.24Å; L222-F255 HydrophobicContact CG-CZ 4.48Å |
| 223 | G | 86 | Confident | 91.7 | Very high | 43 Ų | 43 | 40.8 Ų | 40.8 | 44% | 0.443 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -11.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 224 | G | 87.3 | Confident | 91.5 | Very high | 69 Ų | 69 | 42.4 Ų | 42.4 | 71% | 0.711 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 8.5 | 172 | 0 | 0 | 0 | 0 | 0 | 114.5 | E221 L222 | E221-G224 PolarHBondContact O-N 3.22Å; L222-G224 PolarHBondContact O-N 2.67Å |
| 225 | K | 91.5 | Very high | 91 | Very high | 34 Ų | 34 | 42.5 Ų | 42.5 | 15% | 0.148 | 24% | 0.243 | C | C | . | . | trans | -119.3 | 157.4 | -175.5 | -56.3 | -174.8 | -153.5 | -59.6 | 0 | 111.9 | L188 L189 V217 E221 L222 M250 | L188-K225 HydrophobicContact CD2-CB 4.39Å; L189-K225 VanDerWaalsContact O-CA 3.27Å; L189-K225 WeakPolarHBondContact O-CA 3.4Å; L189-K225 VanDerWaalsContact O-CB 3.3Å; L189-K225 WeakPolarHBondContact O-CB 3.32Å; V217-K225 HydrophobicContact CG1-CD 4Å; V217-K225 HydrophobicContact CG2-CD 4.46Å; E221-K225 WeakPolarHBondContact O-CE 3.34Å; E221-K225 IonicContact OE2-NZ 2.84Å; E221-K225 PolarHBondContact OE2-NZ 3.03Å; L222-K225 WeakPolarHBondContact O-CB 3.47Å; L222-K225 PolarHBondContact O-N 3.35Å; K225-M250 HydrophobicContact CB-CG 4.4Å; K225-M250 WeakPolarHBondContact O-CB 3.15Å; K225-M250 WeakPolarHBondContact O-CG 3.44Å; K225-M250 PolarHBondContact O-N 2.97Å | ||
| 226 | T | 93.9 | Very high | 90.3 | Very high | 44 Ų | 44 | 51.5 Ų | 51.5 | 27% | 0.27 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 120.7 | 176.8 | -54.1 | 0 | 0 | 0 | 0 | 108.9 | L188 L189 K247 V248 | L188-T226 CarbonylContact C-O 3.32Å; L188-T226 WeakPolarHBondContact CA-O 3.26Å; L189-T226 PolarHBondContact N-O 3Å; L189-T226 PolarHBondContact O-N 3.04Å; L189-T226 VanDerWaalsContact O-N 3.1Å; T226-K247 HydrophobicContact CG2-CB 4.14Å; T226-V248 CarbonylContact C-O 3.5Å; T226-V248 VanDerWaalsContact CA-O 3.3Å; T226-V248 WeakPolarHBondContact CA-O 3.47Å; T226-V248 WeakPolarHBondContact CG2-O 3.34Å |
| 227 | L | 94.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 133.7 | 171.5 | -178.3 | 69.8 | 0 | 0 | 0 | 109.4 | L152 V163 V186 L188 F215 M229 K247 V248 M250 | L152-L227 HydrophobicContact CD1-CD2 4.47Å; L152-L227 HydrophobicContact CD2-CD2 3.4Å; L152-L227 VanDerWaalsContact CD2-CD2 3.4Å; V163-L227 HydrophobicContact CG1-CD2 3.85Å; V163-L227 HydrophobicContact CG2-CD1 4.06Å; V163-L227 HydrophobicContact CG2-CD2 3.89Å; V186-L227 HydrophobicContact CG1-CD1 3.76Å; L188-L227 HydrophobicContact CD2-CB 3.94Å; L188-L227 HydrophobicContact CD2-CD1 3.95Å; L188-L227 HydrophobicContact CG-CD1 4.25Å; F215-L227 HydrophobicContact CE2-CD1 4.27Å; L227-M229 HydrophobicContact CD2-CE 4.05Å; L227-M229 HydrophobicContact CD2-CG 4.46Å; L227-M229 HydrophobicContact CD2-SD 4.16Å; L227-M229 HydrophobicContact CG-CG 4.42Å; L227-K247 CarbonylContact O-C 3.56Å; L227-K247 WeakPolarHBondContact O-CA 3.34Å; L227-V248 HydrophobicContact CB-CB 4.39Å; L227-V248 PolarHBondContact N-O 2.89Å; L227-V248 PolarHBondContact O-N 3.09Å; L227-M250 HydrophobicContact CB-CE 3.63Å; L227-M250 HydrophobicContact CB-SD 3.94Å; L227-M250 HydrophobicContact CD2-CE 4.37Å |
| 228 | V | 94.1 | Very high | 88.6 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 127.5 | 175.4 | -170 | 0 | 0 | 0 | 0 | 108.7 | V186 F187 L189 E245 K247 | V186-V228 WeakPolarHBondContact CA-O 3.32Å; F187-V228 HydrophobicContact CD1-CB 4.47Å; F187-V228 HydrophobicContact CD2-CB 4.06Å; F187-V228 HydrophobicContact CD2-CG2 4.23Å; F187-V228 HydrophobicContact CE1-CB 4.09Å; F187-V228 HydrophobicContact CE1-CG1 4.04Å; F187-V228 HydrophobicContact CE2-CB 3.64Å; F187-V228 HydrophobicContact CE2-CG1 4.03Å; F187-V228 HydrophobicContact CE2-CG2 3.75Å; F187-V228 HydrophobicContact CG-CB 4.45Å; F187-V228 HydrophobicContact CZ-CB 3.65Å; F187-V228 HydrophobicContact CZ-CG1 3.58Å; F187-V228 HydrophobicContact CZ-CG2 4.19Å; F187-V228 PolarHBondContact N-O 3.11Å; F187-V228 VanDerWaalsContact N-O 3.07Å; F187-V228 PolarHBondContact O-N 2.74Å; L189-V228 HydrophobicContact CD1-CG2 3.66Å; L189-V228 HydrophobicContact CG-CG2 3.74Å; V228-E245 HydrophobicContact CG1-CB 4.48Å; V228-E245 WeakPolarHBondContact CG1-OE2 3.43Å; V228-K247 HydrophobicContact CG1-CG 4.19Å; V228-K247 HydrophobicContact CG2-CG 4.21Å |
| 229 | M | 95.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 103.8 | 174 | -68 | 170.8 | -71.6 | 0 | 0 | 107.1 | I148 Y150 V163 I165 V184 V186 L227 E245 Y246 V248 | I148-M229 HydrophobicContact CD1-CB 4.33Å; Y150-M229 HydrophobicContact CD1-CE 3.44Å; Y150-M229 VanDerWaalsContact CD1-CE 3.44Å; Y150-M229 HydrophobicContact CD1-SD 4.02Å; Y150-M229 HydrophobicContact CD2-CE 4.2Å; Y150-M229 HydrophobicContact CE1-CE 3.7Å; Y150-M229 HydrophobicContact CE2-CE 4.46Å; Y150-M229 HydrophobicContact CG-CE 3.71Å; Y150-M229 HydrophobicContact CG-SD 3.91Å; V163-M229 HydrophobicContact CG1-SD 4.34Å; I165-M229 HydrophobicContact CD1-CG 3.95Å; I165-M229 HydrophobicContact CD1-SD 3.52Å; I165-M229 VanDerWaalsContact CD1-SD 3.52Å; V184-M229 HydrophobicContact CG1-CB 4.27Å; V186-M229 HydrophobicContact CG1-CG 4.22Å; V186-M229 HydrophobicContact CG2-CG 4.39Å; L227-M229 HydrophobicContact CD2-CE 4.05Å; L227-M229 HydrophobicContact CD2-CG 4.46Å; L227-M229 HydrophobicContact CD2-SD 4.16Å; L227-M229 HydrophobicContact CG-CG 4.42Å; M229-E245 CarbonylContact O-C 3.47Å; M229-E245 WeakPolarHBondContact O-CA 3.25Å; M229-Y246 HydrophobicContact CE-CD1 4.05Å; M229-Y246 PolarHBondContact N-O 2.87Å; M229-Y246 PolarHBondContact O-N 3.37Å; M229-V248 HydrophobicContact CE-CG2 4.08Å |
| 230 | A | 94.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.008 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 119.6 | -176 | 0 | 0 | 0 | 0 | 0 | 109.9 | V184 K185 Y232 I242 E245 | V184-A230 WeakPolarHBondContact CA-O 3.49Å; K185-A230 PolarHBondContact N-O 3.04Å; K185-A230 PolarHBondContact O-N 3.24Å; A230-Y232 HydrophobicContact CB-CD2 4.34Å; A230-Y232 HydrophobicContact CB-CE2 3.7Å; A230-Y232 WeakPolarHBondContact O-CD2 3.05Å; A230-I242 HydrophobicContact CB-CD1 4.11Å; A230-E245 HydrophobicContact CB-CB 3.98Å |
| 231 | V | 94.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 126.4 | 179.9 | -170 | 0 | 0 | 0 | 0 | 108.9 | I148 L171 P182 Y183 V184 I243 G244 L265 | I148-V231 HydrophobicContact CD1-CG2 4.17Å; L171-V231 HydrophobicContact CD1-CG1 4.22Å; L171-V231 HydrophobicContact CD2-CG1 4.44Å; P182-V231 HydrophobicContact CB-CG1 4.44Å; Y183-V231 WeakPolarHBondContact O-CA 2.98Å; V184-V231 HydrophobicContact CG1-CG2 4.44Å; V184-V231 HydrophobicContact CG2-CG2 4.15Å; V231-I243 HydrophobicContact CB-CB 4.38Å; V231-I243 HydrophobicContact CG1-CB 4.34Å; V231-I243 HydrophobicContact CG1-CD1 4.21Å; V231-I243 PolarHBondContact O-N 2.92Å; V231-G244 PolarHBondContact N-O 3.33Å; V231-G244 PolarHBondContact O-N 3.17Å; V231-L265 HydrophobicContact CB-CD1 4.24Å; V231-L265 HydrophobicContact CG2-CD1 3.73Å; V231-L265 HydrophobicContact CG2-CD2 3.82Å; V231-L265 HydrophobicContact CG2-CG 4.47Å |
| 232 | Y | 93.6 | Very high | 87.6 | Confident | 31 Ų | 31 | 56.1 Ų | 56.1 | 12% | 0.122 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 152.2 | 179.1 | -72.1 | -100 | 0 | 0 | 0 | 110.4 | P182 Y183 K185 A230 H240 D241 I242 | P182-Y232 CarbonylContact C-O 3.5Å; P182-Y232 WeakPolarHBondContact CA-O 3.41Å; Y183-Y232 WeakPolarHBondContact CD1-O 3.21Å; Y183-Y232 HydrophobicContact CE1-CG 4.48Å; Y183-Y232 PolarHBondContact N-O 2.86Å; Y183-Y232 PolarHBondContact O-N 3.24Å; K185-Y232 HydrophobicContact CB-CD2 4.37Å; K185-Y232 HydrophobicContact CB-CE2 4.1Å; K185-Y232 HydrophobicContact CD-CD2 3.78Å; K185-Y232 HydrophobicContact CD-CE2 3.39Å; K185-Y232 HydrophobicContact CG-CD2 3.72Å; K185-Y232 HydrophobicContact CG-CE2 3.71Å; A230-Y232 HydrophobicContact CB-CD2 4.34Å; A230-Y232 HydrophobicContact CB-CE2 3.7Å; A230-Y232 WeakPolarHBondContact O-CD2 3.05Å; Y232-H240 HydrophobicContact CD1-CB 4.41Å; Y232-D241 CarbonylContact C-O 3.59Å; Y232-D241 VanDerWaalsContact CA-O 3.28Å; Y232-D241 WeakPolarHBondContact CA-O 3.14Å; Y232-I242 HydrophobicContact CD1-CB 3.96Å; Y232-I242 HydrophobicContact CD1-CG1 4.39Å; Y232-I242 HydrophobicContact CE1-CB 3.83Å; Y232-I242 HydrophobicContact CE1-CD1 4.13Å; Y232-I242 HydrophobicContact CE1-CG1 4.2Å; Y232-I242 HydrophobicContact CE2-CD1 4.11Å; Y232-I242 HydrophobicContact CE2-CG1 4.48Å |
| 233 | D | 92.3 | Very high | 87.8 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.043 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 131 | 165.1 | -158.7 | -8 | 0 | 0 | 0 | 110 | L174 S180 D181 D235 H240 D241 I243 | L174-D233 WeakPolarHBondContact CB-OD2 3.44Å; L174-D233 HydrophobicContact CD1-CB 4.18Å; S180-D233 WeakPolarHBondContact CA-OD2 3.38Å; S180-D233 VanDerWaalsContact CB-CG 3.44Å; S180-D233 WeakPolarHBondContact CB-OD1 3.5Å; S180-D233 WeakPolarHBondContact CB-OD2 3.39Å; S180-D233 PolarHBondContact OG-OD2 3.38Å; D181-D233 WeakPolarHBondContact CA-OD1 3.49Å; D181-D233 PolarHBondContact N-OD1 2.87Å; D233-D235 PolarHBondContact O-N 3.47Å; D233-H240 WeakPolarHBondContact O-CA 3.43Å; D233-H240 VanDerWaalsContact O-CB 3.22Å; D233-H240 WeakPolarHBondContact O-CB 3.31Å; D233-D241 PolarHBondContact N-O 3.41Å; D233-I243 HydrophobicContact CB-CD1 4.09Å; D233-I243 HydrophobicContact CB-CG1 4.34Å |
| 234 | F | 90.3 | Very high | 88.1 | Confident | 56 Ų | 56 | 54.4 Ų | 54.4 | 25% | 0.246 | 28% | 0.275 | C | S | . | . | trans | -83.5 | 104.8 | 178.9 | 176.8 | -91.2 | 0 | 0 | 0 | 110.8 | D181 Y183 V200 R236 H240 | D181-F234 HydrophobicContact CB-CB 4.04Å; D181-F234 VanDerWaalsContact O-CB 3.28Å; D181-F234 WeakPolarHBondContact O-CB 3.27Å; D181-F234 PolarHBondContact O-N 3.45Å; Y183-F234 HydrophobicContact CD1-CB 4.13Å; Y183-F234 HydrophobicContact CE1-CB 4.27Å; V200-F234 HydrophobicContact CB-CB 4.37Å; V200-F234 HydrophobicContact CB-CG 4.46Å; V200-F234 HydrophobicContact CG1-CB 3.52Å; V200-F234 HydrophobicContact CG1-CD1 4.07Å; V200-F234 HydrophobicContact CG1-CG 3.8Å; V200-F234 HydrophobicContact CG2-CB 3.87Å; V200-F234 HydrophobicContact CG2-CD2 3.83Å; V200-F234 HydrophobicContact CG2-CG 3.85Å; F234-R236 HydrophobicContact CE1-CB 4.33Å; F234-H240 AromaticContact CD2-CE1 3.33Å; F234-H240 WeakPolarHBondContact CD2-CE1 3.38Å; F234-H240 AromaticContact CD2-NE2 3.56Å; F234-H240 AromaticContact CE2-CE1 3.56Å; F234-H240 AromaticContact CE2-NE2 3.55Å | ||
| 235 | D | 84.4 | Confident | 88.4 | Confident | 51 Ų | 51 | 52 Ų | 52 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | trans | -101.2 | 122.7 | 176 | -164 | -31.5 | 0 | 0 | 0 | 112 | D233 F237 S238 H240 | D233-D235 PolarHBondContact O-N 3.47Å; D235-F237 VanDerWaalsContact C-N 3.33Å; D235-F237 PolarHBondContact O-N 2.88Å; D235-F237 PolarHBondContact OD1-N 3.33Å; D235-S238 PolarHBondContact OD1-N 3.49Å; D235-S238 PolarHBondContact OD1-OG 3.26Å; D235-S238 WeakPolarHBondContact OD2-CB 3.44Å; D235-S238 PolarHBondContact OD2-OG 2.9Å; D235-H240 PolarHBondContact O-CD2 3.25Å | ||
| 236 | R | 78.8 | Confident | 88.5 | Confident | 193 Ų | 193 | 51.8 Ų | 51.8 | 73% | 0.728 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -71.5 | -22.9 | -176.4 | -172.4 | 172.8 | -175.2 | -175.8 | 2.9 | 114.1 | F234 | F234-R236 HydrophobicContact CE1-CB 4.33Š|
| 237 | F | 71.6 | Confident | 88.5 | Confident | 181 Ų | 181 | 52.9 Ų | 52.9 | 79% | 0.794 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -131 | 3.3 | -173.2 | -58.8 | -69.1 | 0 | 0 | 0 | 114.1 | D235 | D235-F237 VanDerWaalsContact C-N 3.33Å; D235-F237 PolarHBondContact O-N 2.88Å; D235-F237 PolarHBondContact OD1-N 3.33Å |
| 238 | S | 73.1 | Confident | 88.5 | Confident | 74 Ų | 74 | 53.1 Ų | 53.1 | 52% | 0.517 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -123.8 | -174.7 | 177.8 | -40.9 | 0 | 0 | 0 | 0 | 111.1 | D235 | D235-S238 PolarHBondContact OD1-N 3.49Å; D235-S238 PolarHBondContact OD1-OG 3.26Å; D235-S238 WeakPolarHBondContact OD2-CB 3.44Å; D235-S238 PolarHBondContact OD2-OG 2.9Å |
| 239 | K | 76.6 | Confident | 88.5 | Confident | 180 Ų | 180 | 54.6 Ų | 54.6 | 78% | 0.783 | 26% | 0.259 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 139.2 | 158.6 | -177.1 | -176.4 | 175.9 | -176.1 | 0 | 108 | D241 | K239-D241 PolarHBondContact O-N 2.93Š|
| 240 | H | 85.8 | Confident | 88.3 | Confident | 53 Ų | 53 | 54.8 Ų | 54.8 | 25% | 0.245 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 123.1 | 172.3 | -59.5 | -177.6 | 0 | 0 | 0 | 109.6 | Y183 Y232 D233 F234 D235 | Y183-H240 AromaticContact CE1-ND1 3.55Å; Y183-H240 AromaticContact CZ-ND1 3.63Å; Y183-H240 PolarHBondContact OH-ND1 2.91Å; Y232-H240 HydrophobicContact CD1-CB 4.41Å; D233-H240 WeakPolarHBondContact O-CA 3.43Å; D233-H240 VanDerWaalsContact O-CB 3.22Å; D233-H240 WeakPolarHBondContact O-CB 3.31Å; F234-H240 AromaticContact CD2-CE1 3.33Å; F234-H240 WeakPolarHBondContact CD2-CE1 3.38Å; F234-H240 AromaticContact CD2-NE2 3.56Å; F234-H240 AromaticContact CE2-CE1 3.56Å; F234-H240 AromaticContact CE2-NE2 3.55Å; D235-H240 PolarHBondContact O-CD2 3.25Å |
| 241 | D | 84.7 | Confident | 88 | Confident | 94 Ų | 94 | 60.1 Ų | 60.1 | 50% | 0.503 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 148 | 177 | -81 | -36.5 | 0 | 0 | 0 | 110.8 | L174 Y232 D233 K239 | L174-D241 HydrophobicContact CD1-CB 3.88Å; Y232-D241 CarbonylContact C-O 3.59Å; Y232-D241 VanDerWaalsContact CA-O 3.28Å; Y232-D241 WeakPolarHBondContact CA-O 3.14Å; D233-D241 PolarHBondContact N-O 3.41Å; K239-D241 PolarHBondContact O-N 2.93Å |
| 242 | I | 90.2 | Very high | 87.7 | Confident | 64 Ų | 64 | 65.4 Ų | 65.4 | 33% | 0.328 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 120.7 | 175.8 | -172.4 | 159.5 | 0 | 0 | 0 | 108.8 | A230 Y232 A268 | A230-I242 HydrophobicContact CB-CD1 4.11Å; Y232-I242 HydrophobicContact CD1-CB 3.96Å; Y232-I242 HydrophobicContact CD1-CG1 4.39Å; Y232-I242 HydrophobicContact CE1-CB 3.83Å; Y232-I242 HydrophobicContact CE1-CD1 4.13Å; Y232-I242 HydrophobicContact CE1-CG1 4.2Å; Y232-I242 HydrophobicContact CE2-CD1 4.11Å; Y232-I242 HydrophobicContact CE2-CG1 4.48Å; I242-A268 HydrophobicContact CD1-CB 3.32Å; I242-A268 HydrophobicContact CG1-CB 3.8Å; I242-A268 HydrophobicContact CG2-CB 4.2Å |
| 243 | I | 90.9 | Very high | 87.5 | Confident | 7 Ų | 7 | 64.9 Ų | 64.9 | 4% | 0.036 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | -43.9 | 178.2 | -72.2 | 167.3 | 0 | 0 | 0 | 109.6 | L145 L171 P172 L174 P182 V231 D233 | L145-I243 WeakPolarHBondContact O-CG2 3.35Å; L171-I243 HydrophobicContact CD2-CG2 4.13Å; P172-I243 HydrophobicContact CG-CG2 3.73Å; L174-I243 HydrophobicContact CD1-CG1 3.82Å; L174-I243 HydrophobicContact CG-CG1 4.49Å; P182-I243 HydrophobicContact CB-CD1 4.38Å; V231-I243 HydrophobicContact CB-CB 4.38Å; V231-I243 HydrophobicContact CG1-CB 4.34Å; V231-I243 HydrophobicContact CG1-CD1 4.21Å; V231-I243 PolarHBondContact O-N 2.92Å; D233-I243 HydrophobicContact CB-CD1 4.09Å; D233-I243 HydrophobicContact CB-CG1 4.34Å |
| 244 | G | 92 | Very high | 87.3 | Confident | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.5 | 170 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V231 Q266 | V231-G244 PolarHBondContact N-O 3.33Å; V231-G244 PolarHBondContact O-N 3.17Å; G244-Q266 CarbonylContact C-O 3.51Å; G244-Q266 VanDerWaalsContact CA-O 3.26Å; G244-Q266 WeakPolarHBondContact CA-O 3.47Å |
| 245 | E | 93.9 | Very high | 87.1 | Confident | 18 Ų | 18 | 66.8 Ų | 66.8 | 8% | 0.084 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 158.9 | 174.8 | 73.4 | -175.6 | 153.1 | 0 | 0 | 111.6 | V228 M229 A230 K247 Q266 A268 E269 | V228-E245 HydrophobicContact CG1-CB 4.48Å; V228-E245 WeakPolarHBondContact CG1-OE2 3.43Å; M229-E245 CarbonylContact O-C 3.47Å; M229-E245 WeakPolarHBondContact O-CA 3.25Å; A230-E245 HydrophobicContact CB-CB 3.98Å; E245-K247 VanDerWaalsContact CD-NZ 3.32Å; E245-K247 VanDerWaalsContact OE1-CE 3.22Å; E245-K247 WeakPolarHBondContact OE1-CE 3.22Å; E245-K247 IonicContact OE1-NZ 3.74Å; E245-K247 PolarHBondContact OE1-NZ 3.33Å; E245-K247 VanDerWaalsContact OE2-CE 3.25Å; E245-K247 WeakPolarHBondContact OE2-CE 3.49Å; E245-K247 IonicContact OE2-NZ 2.65Å; E245-Q266 PolarHBondContact N-O 2.56Å; E245-Q266 WeakPolarHBondContact O-CB 3.49Å; E245-Q266 PolarHBondContact O-N 3.33Å; E245-A268 HydrophobicContact CB-CB 4.12Å; E245-A268 HydrophobicContact CG-CB 3.78Å; E245-A268 WeakPolarHBondContact OE1-CA 3.22Å; E245-E269 PolarHBondContact OE1-N 2.84Å |
| 246 | Y | 94.3 | Very high | 87 | Confident | 30 Ų | 30 | 66.9 Ų | 66.9 | 12% | 0.118 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 137.8 | 167.5 | 178.8 | -104.4 | 0 | 0 | 0 | 109.9 | Y150 M229 V248 R263 | Y150-Y246 AromaticContact CE1-CD1 3.79Å; Y150-Y246 HydrophobicContact CE1-CD1 3.79Å; Y150-Y246 AromaticContact CE1-CE1 3.59Å; Y150-Y246 HydrophobicContact CE1-CE1 3.59Å; Y150-Y246 AromaticContact CZ-CE1 3.84Å; Y150-Y246 WeakPolarHBondContact OH-CE1 3.27Å; M229-Y246 HydrophobicContact CE-CD1 4.05Å; M229-Y246 PolarHBondContact N-O 2.87Å; M229-Y246 PolarHBondContact O-N 3.37Å; Y246-V248 HydrophobicContact CD1-CG2 3.94Å; Y246-V248 HydrophobicContact CE1-CG2 3.28Å; Y246-R263 HydrophobicContact CD1-CB 3.96Å; Y246-R263 HydrophobicContact CD1-CG 4.19Å; Y246-R263 HydrophobicContact CD2-CB 4.08Å; Y246-R263 HydrophobicContact CE1-CB 3.85Å; Y246-R263 HydrophobicContact CE1-CG 3.55Å; Y246-R263 HydrophobicContact CE2-CB 3.98Å; Y246-R263 HydrophobicContact CE2-CG 3.96Å; Y246-R263 HydrophobicContact CG-CB 4.08Å; Y246-R263 VanDerWaalsContact CZ-CG 3.43Å; Y246-R263 WeakPolarHBondContact OH-CD 3.16Å; Y246-R263 PolarHBondContact OH-NE 3.37Å |
| 247 | K | 94.1 | Very high | 87.3 | Confident | 67 Ų | 67 | 64.3 Ų | 64.3 | 29% | 0.291 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 118.8 | -169.9 | -66.8 | 171 | 176 | 141 | 0 | 109.3 | T226 L227 V228 E245 E269 | T226-K247 HydrophobicContact CG2-CB 4.14Å; L227-K247 CarbonylContact O-C 3.56Å; L227-K247 WeakPolarHBondContact O-CA 3.34Å; V228-K247 HydrophobicContact CG1-CG 4.19Å; V228-K247 HydrophobicContact CG2-CG 4.21Å; E245-K247 VanDerWaalsContact CD-NZ 3.32Å; E245-K247 VanDerWaalsContact OE1-CE 3.22Å; E245-K247 WeakPolarHBondContact OE1-CE 3.22Å; E245-K247 IonicContact OE1-NZ 3.74Å; E245-K247 PolarHBondContact OE1-NZ 3.33Å; E245-K247 VanDerWaalsContact OE2-CE 3.25Å; E245-K247 WeakPolarHBondContact OE2-CE 3.49Å; E245-K247 IonicContact OE2-NZ 2.65Å; K247-E269 IonicContact NZ-OE2 3.08Å; K247-E269 PolarHBondContact NZ-OE2 3.28Å |
| 248 | V | 93.4 | Very high | 88.1 | Confident | 6 Ų | 6 | 60 Ų | 60 | 4% | 0.036 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 116.4 | 175.2 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | L152 T226 L227 M229 Y246 M250 V253 | L152-V248 HydrophobicContact CD1-CG1 4.15Å; T226-V248 CarbonylContact C-O 3.5Å; T226-V248 VanDerWaalsContact CA-O 3.3Å; T226-V248 WeakPolarHBondContact CA-O 3.47Å; T226-V248 WeakPolarHBondContact CG2-O 3.34Å; L227-V248 HydrophobicContact CB-CB 4.39Å; L227-V248 PolarHBondContact N-O 2.89Å; L227-V248 PolarHBondContact O-N 3.09Å; M229-V248 HydrophobicContact CE-CG2 4.08Å; Y246-V248 HydrophobicContact CD1-CG2 3.94Å; Y246-V248 HydrophobicContact CE1-CG2 3.28Å; V248-M250 HydrophobicContact CB-CE 3.86Å; V248-M250 HydrophobicContact CG1-CE 3.5Å; V248-M250 PolarHBondContact O-N 3.19Å; V248-V253 HydrophobicContact CG1-CG2 3.41Å; V248-V253 VanDerWaalsContact CG1-CG2 3.41Å |
| 249 | A | 93.5 | Very high | 88.9 | Confident | 32 Ų | 32 | 58.1 Ų | 58.1 | 26% | 0.264 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 122.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | N251 T252 | A249-N251 WeakPolarHBondContact CB-OD1 3.2Å; A249-N251 PolarHBondContact O-N 3.04Å; A249-N251 VanDerWaalsContact O-N 3.1Å; A249-T252 PolarHBondContact O-N 2.68Å; A249-T252 PolarHBondContact O-OG1 3.21Å; A249-T252 VanDerWaalsContact O-OG1 3.08Å |
| 250 | M | 91.6 | Very high | 89.8 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.02 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -72 | -8.6 | -169.6 | -55.8 | -84.1 | 78.1 | 0 | 0 | 113.1 | L152 L161 L188 L222 K225 L227 V248 T252 V253 F255 | L152-M250 HydrophobicContact CD1-CE 3.97Å; L161-M250 HydrophobicContact CD1-SD 4.28Å; L161-M250 HydrophobicContact CD2-SD 3.71Å; L188-M250 HydrophobicContact CD2-CG 4.34Å; L188-M250 HydrophobicContact CD2-SD 4.12Å; L222-M250 HydrophobicContact CD1-CB 3.99Å; L222-M250 HydrophobicContact CD1-CG 3.85Å; L222-M250 HydrophobicContact CD1-SD 3.98Å; L222-M250 HydrophobicContact CG-CB 3.96Å; L222-M250 HydrophobicContact CG-CG 4.39Å; L222-M250 WeakPolarHBondContact O-CB 3.47Å; K225-M250 HydrophobicContact CB-CG 4.4Å; K225-M250 WeakPolarHBondContact O-CB 3.15Å; K225-M250 WeakPolarHBondContact O-CG 3.44Å; K225-M250 PolarHBondContact O-N 2.97Å; L227-M250 HydrophobicContact CB-CE 3.63Å; L227-M250 HydrophobicContact CB-SD 3.94Å; L227-M250 HydrophobicContact CD2-CE 4.37Å; V248-M250 HydrophobicContact CB-CE 3.86Å; V248-M250 HydrophobicContact CG1-CE 3.5Å; V248-M250 PolarHBondContact O-N 3.19Å; M250-T252 VanDerWaalsContact C-N 3.33Å; M250-V253 HydrophobicContact CE-CG2 4.12Å; M250-F255 HydrophobicContact CE-CZ 4.46Å; M250-F255 WeakPolarHBondContact O-CE2 3.24Å; M250-F255 HydrophobicContact SD-CZ 4.18Å |
| 251 | N | 89.3 | Confident | 90.1 | Very high | 113 Ų | 113 | 54.8 Ų | 54.8 | 60% | 0.604 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -79 | -9.7 | 171 | 65.2 | -25.6 | 0 | 0 | 0 | 114.1 | A249 | A249-N251 WeakPolarHBondContact CB-OD1 3.2Å; A249-N251 PolarHBondContact O-N 3.04Å; A249-N251 VanDerWaalsContact O-N 3.1Å |
| 252 | T | 88.6 | Confident | 90.6 | Very high | 111 Ų | 111 | 55.1 Ų | 55.1 | 68% | 0.681 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -103.1 | 4.8 | 176.4 | 70.9 | 0 | 0 | 0 | 0 | 113.8 | A249 M250 | A249-T252 PolarHBondContact O-N 2.68Å; A249-T252 PolarHBondContact O-OG1 3.21Å; A249-T252 VanDerWaalsContact O-OG1 3.08Å; M250-T252 VanDerWaalsContact C-N 3.33Å |
| 253 | V | 88.6 | Confident | 90.9 | Very high | 20 Ų | 20 | 56 Ų | 56 | 12% | 0.121 | 30% | 0.296 | C | S | . | . | trans | -103.3 | 128 | -179.5 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | L152 V248 M250 F255 | L152-V253 HydrophobicContact CD1-CG1 4.25Å; L152-V253 HydrophobicContact CD1-CG2 4.02Å; V248-V253 HydrophobicContact CG1-CG2 3.41Å; V248-V253 VanDerWaalsContact CG1-CG2 3.41Å; M250-V253 HydrophobicContact CE-CG2 4.12Å; V253-F255 HydrophobicContact CB-CD2 4.44Å; V253-F255 HydrophobicContact CB-CE1 4.22Å; V253-F255 HydrophobicContact CB-CE2 3.85Å; V253-F255 HydrophobicContact CB-CZ 3.73Å; V253-F255 HydrophobicContact CG1-CD1 4Å; V253-F255 HydrophobicContact CG1-CD2 4.41Å; V253-F255 HydrophobicContact CG1-CE1 3.64Å; V253-F255 HydrophobicContact CG1-CE2 4.09Å; V253-F255 HydrophobicContact CG1-CG 4.38Å; V253-F255 HydrophobicContact CG1-CZ 3.7Å; V253-F255 HydrophobicContact CG2-CZ 4.45Å; V253-F255 PolarHBondContact O-N 2.89Å | ||
| 254 | D | 86.9 | Confident | 91.1 | Very high | 97 Ų | 97 | 60.2 Ų | 60.2 | 52% | 0.519 | 32% | 0.319 | S | S | . | . | trans | -81.4 | 110.6 | 167 | 177 | 27.8 | 0 | 0 | 0 | 109.3 | G256 H257 T259 | D254-G256 VanDerWaalsContact C-N 3.28Å; D254-G256 PolarHBondContact OD1-N 2.64Å; D254-H257 IonicContact OD2-ND1 2.69Å; D254-H257 PolarHBondContact OD2-ND1 2.87Å; D254-T259 PolarHBondContact O-OG1 2.98Å | ||
| 255 | F | 87.3 | Confident | 91.1 | Very high | 7 Ų | 7 | 60.7 Ų | 60.7 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 7.7 | 174.9 | -62.8 | -74 | 0 | 0 | 0 | 113.2 | L152 F156 L161 Y219 L222 M250 V253 H257 | L152-F255 HydrophobicContact CB-CE1 4.42Å; F156-F255 WeakPolarHBondContact CE2-O 3.39Å; F156-F255 HydrophobicContact CZ-CB 4.1Å; L161-F255 HydrophobicContact CD1-CD1 4.36Å; L161-F255 HydrophobicContact CD1-CE1 3.45Å; L161-F255 VanDerWaalsContact CD1-CE1 3.45Å; L161-F255 HydrophobicContact CD1-CZ 3.86Å; Y219-F255 HydrophobicContact CE2-CB 4.45Å; Y219-F255 HydrophobicContact CE2-CD2 4.13Å; L222-F255 HydrophobicContact CD2-CD2 4.03Å; L222-F255 HydrophobicContact CD2-CE1 4.48Å; L222-F255 HydrophobicContact CD2-CE2 3.55Å; L222-F255 HydrophobicContact CD2-CZ 3.81Å; L222-F255 HydrophobicContact CG-CE2 4.24Å; L222-F255 HydrophobicContact CG-CZ 4.48Å; M250-F255 HydrophobicContact CE-CZ 4.46Å; M250-F255 WeakPolarHBondContact O-CE2 3.24Å; M250-F255 HydrophobicContact SD-CZ 4.18Å; V253-F255 HydrophobicContact CB-CD2 4.44Å; V253-F255 HydrophobicContact CB-CE1 4.22Å; V253-F255 HydrophobicContact CB-CE2 3.85Å; V253-F255 HydrophobicContact CB-CZ 3.73Å; V253-F255 HydrophobicContact CG1-CD1 4Å; V253-F255 HydrophobicContact CG1-CD2 4.41Å; V253-F255 HydrophobicContact CG1-CE1 3.64Å; V253-F255 HydrophobicContact CG1-CE2 4.09Å; V253-F255 HydrophobicContact CG1-CG 4.38Å; V253-F255 HydrophobicContact CG1-CZ 3.7Å; V253-F255 HydrophobicContact CG2-CZ 4.45Å; V253-F255 PolarHBondContact O-N 2.89Å; F255-H257 PolarHBondContact O-N 3.43Å |
| 256 | G | 81.6 | Confident | 91 | Very high | 53 Ų | 53 | 65.3 Ų | 65.3 | 55% | 0.546 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -17.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D254 | D254-G256 VanDerWaalsContact C-N 3.28Å; D254-G256 PolarHBondContact OD1-N 2.64Å |
| 257 | H | 85.3 | Confident | 90.5 | Very high | 138 Ų | 138 | 68.1 Ų | 68.1 | 64% | 0.639 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -141.7 | 155.4 | 179 | -56 | 91.6 | 0 | 0 | 0 | 110.6 | D254 F255 T259 | D254-H257 IonicContact OD2-ND1 2.69Å; D254-H257 PolarHBondContact OD2-ND1 2.87Å; F255-H257 PolarHBondContact O-N 3.43Å; H257-T259 PolarHBondContact O-N 2.84Å; H257-T259 VanDerWaalsContact O-N 3.14Å |
| 258 | V | 88.4 | Confident | 89.7 | Confident | 92 Ų | 92 | 65.6 Ų | 65.6 | 56% | 0.558 | 36% | 0.358 | S | S | * | . | trans | -65.6 | 114.4 | 170.5 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | D153 | D153-V258 HydrophobicContact CB-CG1 4.42Å; D153-V258 HydrophobicContact CB-CG2 4.15Å | ||
| 259 | T | 90.7 | Very high | 88.4 | Confident | 33 Ų | 33 | 72.4 Ų | 72.4 | 20% | 0.202 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 107.9 | 176.5 | -66.8 | 0 | 0 | 0 | 0 | 108.7 | S151 L152 D254 H257 E261 | S151-T259 CarbonylContact C-O 3.56Å; S151-T259 VanDerWaalsContact CA-O 3.25Å; S151-T259 WeakPolarHBondContact CA-O 3.39Å; L152-T259 PolarHBondContact N-O 2.91Å; L152-T259 PolarHBondContact O-N 2.84Å; D254-T259 PolarHBondContact O-OG1 2.98Å; H257-T259 PolarHBondContact O-N 2.84Å; H257-T259 VanDerWaalsContact O-N 3.14Å; T259-E261 HydrophobicContact CG2-CG 4.18Å |
| 260 | E | 94.2 | Very high | 86.6 | Confident | 114 Ų | 114 | 80 Ų | 80 | 53% | 0.533 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 126.3 | 172 | -170.9 | -173.1 | 130.3 | 0 | 0 | 110.5 | Q149 Y150 I166 | Q149-E260 PolarHBondContact NE2-OE1 3.01Å; Y150-E260 WeakPolarHBondContact O-CA 3.27Å; Y150-E260 WeakPolarHBondContact O-CG 3.21Å; I166-E260 VanDerWaalsContact CD1-CD 3.43Å; I166-E260 HydrophobicContact CD1-CG 3.63Å |
| 261 | E | 93.3 | Very high | 84.9 | Confident | 49 Ų | 49 | 84.6 Ų | 84.6 | 23% | 0.229 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 159.2 | -173.5 | 53.7 | -177.7 | -171.1 | 0 | 0 | 114.6 | Q149 Y150 T259 R263 | Q149-E261 WeakPolarHBondContact CA-O 3.09Å; Y150-E261 HydrophobicContact CE1-CG 4.42Å; Y150-E261 HydrophobicContact CE2-CG 3.72Å; Y150-E261 PolarHBondContact N-O 2.81Å; Y150-E261 PolarHBondContact O-N 2.91Å; Y150-E261 PolarHBondContact OH-OE1 2.99Å; T259-E261 HydrophobicContact CG2-CG 4.18Å; E261-R263 IonicContact OE1-CZ 3.67Å; E261-R263 IonicContact OE1-NH1 2.89Å; E261-R263 IonicContact OE1-NH2 2.74Å; E261-R263 PolarHBondContact OE1-NH2 3.01Å; E261-R263 IonicContact OE2-CZ 3.91Å; E261-R263 IonicContact OE2-NH1 2.68Å; E261-R263 PolarHBondContact OE2-NH1 2.84Å; E261-R263 IonicContact OE2-NH2 3Å; E261-R263 PolarHBondContact OE2-NH2 3.1Å |
| 262 | W | 95.8 | Very high | 83.1 | Confident | 102 Ų | 102 | 85.5 Ų | 85.5 | 39% | 0.386 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 142.3 | 169.9 | -78.4 | 92.5 | 0 | 0 | 0 | 111.2 | K147 I148 Q149 Q167 A169 | K147-W262 HydrophobicContact CB-CE3 3.71Å; K147-W262 HydrophobicContact CB-CZ3 3.9Å; I148-W262 WeakPolarHBondContact O-CA 3.29Å; Q149-W262 HydrophobicContact CB-CD2 3.73Å; Q149-W262 HydrophobicContact CB-CE3 3.9Å; Q149-W262 HydrophobicContact CB-CG 4.29Å; Q149-W262 HydrophobicContact CB-CH2 4.13Å; Q149-W262 HydrophobicContact CB-CZ2 3.94Å; Q149-W262 HydrophobicContact CB-CZ3 4.09Å; Q149-W262 HydrophobicContact CG-CD2 4.19Å; Q149-W262 HydrophobicContact CG-CG 4.34Å; Q149-W262 HydrophobicContact CG-CZ2 4.46Å; Q149-W262 VanDerWaalsContact OE1-CE2 3.25Å; Q167-W262 HydrophobicContact CG-CH2 3.82Å; Q167-W262 HydrophobicContact CG-CZ2 3.99Å; A169-W262 HydrophobicContact CB-CH2 3.7Å; A169-W262 HydrophobicContact CB-CZ3 3.8Å |
| 263 | R | 95.1 | Very high | 81.6 | Confident | 82 Ų | 82 | 85.6 Ų | 85.6 | 31% | 0.309 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 141.5 | 173.7 | -73 | -66.4 | -168 | -74.9 | -7.1 | 112.5 | K147 I148 Y150 Y246 E261 | K147-R263 CarbonylContact C-O 3.51Å; K147-R263 VanDerWaalsContact CA-O 3.24Å; K147-R263 WeakPolarHBondContact CA-O 3.43Å; I148-R263 PolarHBondContact N-O 3.16Å; I148-R263 PolarHBondContact O-N 2.82Å; Y150-R263 HydrophobicContact CE1-CB 4.12Å; Y150-R263 HydrophobicContact CE1-CG 3.81Å; Y246-R263 HydrophobicContact CD1-CB 3.96Å; Y246-R263 HydrophobicContact CD1-CG 4.19Å; Y246-R263 HydrophobicContact CD2-CB 4.08Å; Y246-R263 HydrophobicContact CE1-CB 3.85Å; Y246-R263 HydrophobicContact CE1-CG 3.55Å; Y246-R263 HydrophobicContact CE2-CB 3.98Å; Y246-R263 HydrophobicContact CE2-CG 3.96Å; Y246-R263 HydrophobicContact CG-CB 4.08Å; Y246-R263 VanDerWaalsContact CZ-CG 3.43Å; Y246-R263 WeakPolarHBondContact OH-CD 3.16Å; Y246-R263 PolarHBondContact OH-NE 3.37Å; E261-R263 IonicContact OE1-CZ 3.67Å; E261-R263 IonicContact OE1-NH1 2.89Å; E261-R263 IonicContact OE1-NH2 2.74Å; E261-R263 PolarHBondContact OE1-NH2 3.01Å; E261-R263 IonicContact OE2-CZ 3.91Å; E261-R263 IonicContact OE2-NH1 2.68Å; E261-R263 PolarHBondContact OE2-NH1 2.84Å; E261-R263 IonicContact OE2-NH2 3Å; E261-R263 PolarHBondContact OE2-NH2 3.1Å |
| 264 | D | 94.5 | Very high | 80.5 | Confident | 95 Ų | 95 | 91 Ų | 91 | 51% | 0.508 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 135.7 | 172.1 | -70.1 | -95.4 | 0 | 0 | 0 | 111 | K147 | K147-D264 IonicContact NZ-OD1 3.42Å; K147-D264 PolarHBondContact NZ-OD1 3.3Å; K147-D264 IonicContact NZ-OD2 2.67Å; K147-D264 PolarHBondContact NZ-OD2 2.87Å |
| 265 | L | 93.3 | Very high | 80.1 | Confident | 12 Ų | 12 | 92.7 Ų | 92.7 | 6% | 0.063 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 135.9 | 176.7 | -68.6 | 169.4 | 0 | 0 | 0 | 110.1 | L145 G146 I148 L171 V231 | L145-L265 HydrophobicContact CB-CB 4.06Å; L145-L265 WeakPolarHBondContact O-CD1 3.35Å; G146-L265 PolarHBondContact O-N 2.85Å; I148-L265 HydrophobicContact CB-CD2 4.15Å; I148-L265 HydrophobicContact CG2-CD2 3.73Å; I148-L265 HydrophobicContact CG2-CG 4.34Å; L171-L265 HydrophobicContact CD2-CD1 3.63Å; V231-L265 HydrophobicContact CB-CD1 4.24Å; V231-L265 HydrophobicContact CG2-CD1 3.73Å; V231-L265 HydrophobicContact CG2-CD2 3.82Å; V231-L265 HydrophobicContact CG2-CG 4.47Å |
| 266 | Q | 91.4 | Very high | 80.2 | Confident | 115 Ų | 115 | 93.5 Ų | 93.5 | 54% | 0.537 | 46% | 0.462 | S | S | . | . | B | Isolated β-bridge | trans | -100.4 | 153.3 | -179.9 | -60.3 | 178.3 | 2.2 | 0 | 0 | 110 | L145 G244 E245 A268 | L145-Q266 VanDerWaalsContact CD1-C 3.48Å; G244-Q266 CarbonylContact C-O 3.51Å; G244-Q266 VanDerWaalsContact CA-O 3.26Å; G244-Q266 WeakPolarHBondContact CA-O 3.47Å; E245-Q266 PolarHBondContact N-O 2.56Å; E245-Q266 WeakPolarHBondContact O-CB 3.49Å; E245-Q266 PolarHBondContact O-N 3.33Å; Q266-A268 PolarHBondContact O-N 2.61Å; Q266-A268 VanDerWaalsContact O-N 3.09Å |
| 267 | S | 84.6 | Confident | 80.8 | Confident | 89 Ų | 89 | 91.1 Ų | 91.1 | 62% | 0.622 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 116.2 | 176.4 | -165.7 | 0 | 0 | 0 | 0 | 108.5 | L145 E269 | L145-S267 VanDerWaalsContact CD1-N 3.29Å; S267-E269 PolarHBondContact O-N 2.98Å |
| 268 | A | 76.1 | Confident | 81.3 | Confident | 13 Ų | 13 | 86.2 Ų | 86.2 | 11% | 0.107 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -66 | 129.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | I242 E245 Q266 K270 | I242-A268 HydrophobicContact CD1-CB 3.32Å; I242-A268 HydrophobicContact CG1-CB 3.8Å; I242-A268 HydrophobicContact CG2-CB 4.2Å; E245-A268 HydrophobicContact CB-CB 4.12Å; E245-A268 HydrophobicContact CG-CB 3.78Å; E245-A268 WeakPolarHBondContact OE1-CA 3.22Å; Q266-A268 PolarHBondContact O-N 2.61Å; Q266-A268 VanDerWaalsContact O-N 3.09Å; A268-K270 PolarHBondContact O-N 3.34Å |
| 269 | E | 67 | Low | 81.7 | Confident | 150 Ų | 150 | 81.8 Ų | 81.8 | 70% | 0.701 | 39% | 0.39 | S | S | * | . | trans | -60.5 | 108.4 | 172.3 | -66.9 | 172.4 | 120.5 | 0 | 0 | 106.9 | E245 K247 S267 E271 | E245-E269 PolarHBondContact OE1-N 2.84Å; K247-E269 IonicContact NZ-OE2 3.08Å; K247-E269 PolarHBondContact NZ-OE2 3.28Å; S267-E269 PolarHBondContact O-N 2.98Å; E269-E271 PolarHBondContact O-N 3Å | ||
| 270 | K | 56.2 | Low | 82.1 | Confident | 191 Ų | 191 | 80.7 Ų | 80.7 | 83% | 0.83 | 38% | 0.384 | S | S | * | . | trans | -45.3 | 108.6 | -172.9 | -74.4 | 179.4 | 178.7 | 173.7 | 0 | 109.5 | A268 E272 | A268-K270 PolarHBondContact O-N 3.34Å; K270-E272 PolarHBondContact O-N 2.92Å | ||
| 271 | E | 54.5 | Low | 82.3 | Confident | 101 Ų | 101 | 75.3 Ų | 75.3 | 47% | 0.472 | 36% | 0.358 | S | S | . | . | trans | -48.1 | 107.8 | -170.3 | -178.9 | 167.8 | -135.8 | 0 | 0 | 108.7 | K192 K195 E269 Q273 | K192-E271 IonicContact NZ-OE1 2.75Å; K192-E271 PolarHBondContact NZ-OE1 3.01Å; K195-E271 IonicContact NZ-OE1 3.35Å; E269-E271 PolarHBondContact O-N 3Å; E271-Q273 PolarHBondContact O-N 3.5Å | ||
| 272 | E | 53 | Low | 82.5 | Confident | 132 Ų | 132 | 73.4 Ų | 73.4 | 62% | 0.617 | 35% | 0.351 | S | S | * | . | trans | -51.8 | 116.7 | -167.7 | -72.3 | -165.1 | 123.5 | 0 | 0 | 108.6 | K270 E274 K275 | K270-E272 PolarHBondContact O-N 2.92Å; E272-E274 PolarHBondContact O-N 3.49Å; E272-K275 VanDerWaalsContact OE1-CE 3.29Å; E272-K275 WeakPolarHBondContact OE1-CE 3.45Å; E272-K275 IonicContact OE1-NZ 3.65Å; E272-K275 PolarHBondContact OE1-NZ 3.27Å; E272-K275 WeakPolarHBondContact OE2-CE 3.38Å; E272-K275 IonicContact OE2-NZ 2.6Å; E272-K275 PolarHBondContact OE2-NZ 2.91Å | ||
| 273 | Q | 56 | Low | 82.6 | Confident | 113 Ų | 113 | 68.6 Ų | 68.6 | 53% | 0.528 | 33% | 0.332 | S | S | . | . | trans | -47.4 | 117.4 | 178.1 | -78.4 | 170.3 | -66 | 0 | 0 | 107.4 | E271 K275 E415 | E271-Q273 PolarHBondContact O-N 3.5Å; Q273-K275 PolarHBondContact O-N 3.5Å; Q273-E415 PolarHBondContact NE2-OE1 2.76Å; Q273-E415 PolarHBondContact NE2-OE2 2.9Å | ||
| 274 | E | 65.8 | Low | 82.7 | Confident | 134 Ų | 134 | 68.6 Ų | 68.6 | 63% | 0.626 | 33% | 0.332 | S | S | * | . | trans | -44.8 | 109.6 | -164 | -69 | -172.5 | 136.5 | 0 | 0 | 110.3 | E272 L276 K303 | E272-E274 PolarHBondContact O-N 3.49Å; E274-L276 WeakPolarHBondContact O-CD2 3.48Å; E274-L276 VanDerWaalsContact O-CG 3.29Å; E274-L276 WeakPolarHBondContact O-CG 3.08Å; E274-L276 PolarHBondContact O-N 3.08Å; E274-K303 IonicContact OE2-NZ 2.66Å; E274-K303 PolarHBondContact OE2-NZ 3.33Å | ||
| 275 | K | 78.6 | Confident | 82.8 | Confident | 132 Ų | 132 | 64.1 Ų | 64.1 | 57% | 0.574 | 31% | 0.308 | S | S | * | . | trans | -55.9 | 102.6 | -165.3 | -79.2 | 169.2 | 173.5 | 154.5 | 0 | 110.5 | E272 Q273 G277 | E272-K275 VanDerWaalsContact OE1-CE 3.29Å; E272-K275 WeakPolarHBondContact OE1-CE 3.45Å; E272-K275 IonicContact OE1-NZ 3.65Å; E272-K275 PolarHBondContact OE1-NZ 3.27Å; E272-K275 WeakPolarHBondContact OE2-CE 3.38Å; E272-K275 IonicContact OE2-NZ 2.6Å; E272-K275 PolarHBondContact OE2-NZ 2.91Å; Q273-K275 PolarHBondContact O-N 3.5Å; K275-G277 PolarHBondContact O-N 2.86Å | ||
| 276 | L | 90 | Very high | 83 | Confident | 23 Ų | 23 | 64.5 Ų | 64.5 | 12% | 0.12 | 31% | 0.311 | C | S | . | . | trans | -71.3 | -14 | -174.2 | -58.3 | 179.1 | 0 | 0 | 0 | 112.2 | E274 L302 K303 I376 L410 Q411 P412 | E274-L276 WeakPolarHBondContact O-CD2 3.48Å; E274-L276 VanDerWaalsContact O-CG 3.29Å; E274-L276 WeakPolarHBondContact O-CG 3.08Å; E274-L276 PolarHBondContact O-N 3.08Å; L276-L302 WeakPolarHBondContact O-CA 3.5Å; L276-K303 HydrophobicContact CD2-CB 4.33Å; L276-K303 HydrophobicContact CD2-CD 3.75Å; L276-K303 PolarHBondContact O-N 2.75Å; L276-K303 VanDerWaalsContact O-N 3.09Å; L276-I376 WeakPolarHBondContact CD2-O 3.37Å; L276-I376 WeakPolarHBondContact O-CG2 3.47Å; L276-L410 HydrophobicContact CB-CB 3.88Å; L276-Q411 VanDerWaalsContact CD1-C 3.44Å; L276-P412 HydrophobicContact CD1-CG 4.17Å | ||
| 277 | G | 93.3 | Very high | 83 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 4% | 0.041 | 30% | 0.3 | C | S | . | . | trans | 111.9 | 174.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K275 K300 N301 L410 | K275-G277 PolarHBondContact O-N 2.86Å; G277-K300 WeakPolarHBondContact CA-O 3.5Å; G277-N301 WeakPolarHBondContact CA-O 3.29Å; G277-L410 VanDerWaalsContact O-CB 3.32Å; G277-L410 WeakPolarHBondContact O-CB 3.48Å; G277-L410 WeakPolarHBondContact O-CG 3.22Å; G277-L410 PolarHBondContact O-N 2.9Å | ||
| 278 | D | 95.8 | Very high | 83.4 | Confident | 34 Ų | 34 | 63.8 Ų | 63.8 | 18% | 0.182 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 146.1 | 173.9 | -53.7 | -55.5 | 0 | 0 | 0 | 110.1 | A299 K300 W407 H408 T409 | D278-A299 CarbonylContact O-C 3.55Å; D278-A299 WeakPolarHBondContact O-CA 3.34Å; D278-A299 VanDerWaalsContact O-CB 3.32Å; D278-A299 WeakPolarHBondContact O-CB 3.02Å; D278-K300 HydrophobicContact CB-CG 4.1Å; D278-K300 PolarHBondContact N-O 3.06Å; D278-K300 PolarHBondContact O-N 3.18Å; D278-K300 WeakPolarHBondContact OD2-CE 3.37Å; D278-K300 IonicContact OD2-NZ 3.63Å; D278-W407 HydrophobicContact CB-CE3 3.62Å; D278-W407 HydrophobicContact CB-CZ3 4Å; D278-H408 CarbonylContact C-O 3.59Å; D278-H408 WeakPolarHBondContact CA-O 3.21Å; D278-T409 WeakPolarHBondContact OD1-CA 3.36Å; D278-T409 WeakPolarHBondContact OD1-CB 3.42Å; D278-T409 PolarHBondContact OD1-OG1 3.1Å |
| 279 | I | 97.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 133.4 | 172.7 | -173.7 | 163.4 | 0 | 0 | 0 | 111.2 | F281 I296 A299 V315 V362 V364 V379 W407 H408 L410 | I279-F281 HydrophobicContact CG1-CD1 4.34Å; I279-F281 HydrophobicContact CG2-CD1 4.22Å; I279-F281 HydrophobicContact CG2-CE1 4.24Å; I279-I296 HydrophobicContact CD1-CG2 4.33Å; I279-A299 HydrophobicContact CB-CB 4.24Å; I279-A299 HydrophobicContact CG1-CB 4.26Å; I279-V315 HydrophobicContact CD1-CG1 4Å; I279-V315 HydrophobicContact CD1-CG2 3.87Å; I279-V362 HydrophobicContact CD1-CG1 3.81Å; I279-V364 HydrophobicContact CD1-CG2 3.74Å; I279-V379 HydrophobicContact CG2-CG1 4.17Å; I279-W407 WeakPolarHBondContact O-CA 3.42Å; I279-H408 HydrophobicContact CG2-CB 4.42Å; I279-H408 PolarHBondContact N-O 3Å; I279-H408 PolarHBondContact O-N 3.46Å; I279-L410 HydrophobicContact CB-CD2 4.28Å; I279-L410 HydrophobicContact CG2-CD2 3.69Å; I279-L410 HydrophobicContact CG2-CG 4.39Å |
| 280 | C | 98.1 | Very high | 85.5 | Confident | 10 Ų | 10 | 59.9 Ų | 59.9 | 7% | 0.068 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123.6 | 172.1 | -162.8 | 0 | 0 | 0 | 0 | 110.1 | L297 E298 W407 | C280-L297 HydrophobicContact CB-CB 4.37Å; C280-L297 WeakPolarHBondContact O-CB 3.43Å; C280-L297 PolarHBondContact O-N 3.23Å; C280-E298 HydrophobicContact CB-CG 3.9Å; C280-E298 PolarHBondContact N-O 3.1Å; C280-E298 PolarHBondContact O-N 2.89Å; C280-W407 HydrophobicContact CB-CD2 3.7Å; C280-W407 HydrophobicContact CB-CE3 3.69Å; C280-W407 HydrophobicContact CB-CG 4.38Å; C280-W407 HydrophobicContact CB-CH2 3.83Å; C280-W407 HydrophobicContact CB-CZ2 3.84Å; C280-W407 HydrophobicContact CB-CZ3 3.76Å |
| 281 | F | 98.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 157.6 | 171 | 60.9 | -90.1 | 0 | 0 | 0 | 111.1 | I279 L283 V294 V295 I296 V362 V379 V381 H392 Q406 H408 | I279-F281 HydrophobicContact CG1-CD1 4.34Å; I279-F281 HydrophobicContact CG2-CD1 4.22Å; I279-F281 HydrophobicContact CG2-CE1 4.24Å; F281-L283 HydrophobicContact CD2-CD2 4.07Å; F281-L283 HydrophobicContact CD2-CG 4.12Å; F281-L283 HydrophobicContact CE2-CD1 4.23Å; F281-L283 HydrophobicContact CE2-CD2 3.94Å; F281-L283 HydrophobicContact CE2-CG 3.93Å; F281-V294 HydrophobicContact CD2-CG1 4.26Å; F281-V295 CarbonylContact C-O 3.56Å; F281-V295 WeakPolarHBondContact CA-O 3.21Å; F281-V295 VanDerWaalsContact CB-O 3.29Å; F281-V295 WeakPolarHBondContact CB-O 3.38Å; F281-I296 HydrophobicContact CB-CD1 3.86Å; F281-I296 HydrophobicContact CG-CD1 4.44Å; F281-V362 HydrophobicContact CE1-CG2 4.21Å; F281-V362 HydrophobicContact CZ-CG2 4.23Å; F281-V379 HydrophobicContact CE1-CG1 4.26Å; F281-V381 HydrophobicContact CE2-CG1 4.28Å; F281-V381 HydrophobicContact CE2-CG2 4.4Å; F281-V381 HydrophobicContact CZ-CG1 3.86Å; F281-H392 AromaticContact CD2-CE1 2.88Å; F281-H392 WeakPolarHBondContact CD2-CE1 3.31Å; F281-H392 AromaticContact CE2-CE1 3.03Å; F281-H392 WeakPolarHBondContact CE2-CE1 3.46Å; F281-H392 AromaticContact CE2-ND1 3.57Å; F281-H392 AromaticContact CG-CE1 3.64Å; F281-H392 AromaticContact CZ-CE1 3.89Å; F281-H392 PolarHBondContact O-CE1 3.01Å; F281-Q406 PolarHBondContact N-O 3.05Å; F281-Q406 PolarHBondContact O-N 3.05Å; F281-H408 HydrophobicContact CE1-CB 4.36Å; F281-H408 AromaticContact CE1-CD2 3.27Å; F281-H408 WeakPolarHBondContact CE1-CD2 3.47Å; F281-H408 AromaticContact CE1-CG 3.95Å; F281-H408 AromaticContact CE1-NE2 3.91Å; F281-H408 AromaticContact CZ-CD2 3.44Å; F281-H408 VanDerWaalsContact CZ-CD2 3.44Å; F281-H408 WeakPolarHBondContact CZ-CD2 3.16Å; F281-H408 AromaticContact CZ-NE2 3.57Å |
| 282 | S | 97.9 | Very high | 89.4 | Confident | 10 Ų | 10 | 50.5 Ų | 50.5 | 7% | 0.07 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 144.3 | 172.2 | 74.7 | 0 | 0 | 0 | 0 | 112.7 | V294 V295 I404 | S282-V294 CarbonylContact O-C 3.52Å; S282-V294 WeakPolarHBondContact O-CA 3.45Å; S282-V295 PolarHBondContact N-O 2.78Å; S282-V295 PolarHBondContact O-N 2.84Å; S282-V295 WeakPolarHBondContact OG-CB 3.41Å; S282-I404 CarbonylContact C-O 3.36Å; S282-I404 WeakPolarHBondContact CA-O 3.42Å; S282-I404 WeakPolarHBondContact CB-O 3.25Å |
| 283 | L | 97.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 135.3 | 175.6 | -66.2 | 178.8 | 0 | 0 | 0 | 109.4 | F281 V294 V381 H392 W393 M396 P403 I404 | F281-L283 HydrophobicContact CD2-CD2 4.07Å; F281-L283 HydrophobicContact CD2-CG 4.12Å; F281-L283 HydrophobicContact CE2-CD1 4.23Å; F281-L283 HydrophobicContact CE2-CD2 3.94Å; F281-L283 HydrophobicContact CE2-CG 3.93Å; L283-V294 HydrophobicContact CD2-CB 4.43Å; L283-V294 HydrophobicContact CD2-CG1 4.16Å; L283-V294 HydrophobicContact CD2-CG2 3.87Å; L283-V381 HydrophobicContact CD1-CG2 4.06Å; L283-H392 WeakPolarHBondContact CD1-ND1 3.38Å; L283-H392 PolarHBondContact N-NE2 3.2Å; L283-W393 HydrophobicContact CD1-CE3 3.97Å; L283-W393 HydrophobicContact CD1-CZ3 4.49Å; L283-M396 HydrophobicContact CB-CB 4.03Å; L283-M396 HydrophobicContact CB-CG 3.85Å; L283-M396 HydrophobicContact CB-SD 3.69Å; L283-M396 HydrophobicContact CD1-SD 4.25Å; L283-M396 HydrophobicContact CG-SD 4.45Å; L283-P403 WeakPolarHBondContact O-CA 3.37Å; L283-I404 PolarHBondContact N-O 2.92Å; L283-I404 PolarHBondContact O-N 2.75Å |
| 284 | R | 97.1 | Very high | 93.6 | Very high | 82 Ų | 82 | 39.6 Ų | 39.6 | 31% | 0.309 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 117.8 | 177 | 179.9 | 172.6 | -176.6 | -89.8 | -2.2 | 110.2 | T293 R401 P403 | R284-T293 PolarHBondContact N-O 3Å; R284-T293 PolarHBondContact O-N 2.69Å; R284-R401 VanDerWaalsContact CZ-O 3.27Å; R284-R401 PolarHBondContact NE-O 2.83Å; R284-R401 PolarHBondContact NH2-O 3.01Å; R284-P403 HydrophobicContact CB-CB 4.21Å |
| 285 | Y | 96.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 141.7 | 175.7 | -168.4 | -113.6 | 0 | 0 | 0 | 112.8 | P287 K291 L292 V350 F352 I355 L397 R401 | Y285-P287 HydrophobicContact CD1-CB 4.47Å; Y285-P287 HydrophobicContact CD1-CG 3.77Å; Y285-P287 HydrophobicContact CE1-CB 3.91Å; Y285-P287 HydrophobicContact CE1-CG 3.69Å; Y285-K291 WeakPolarHBondContact CD2-O 3.31Å; Y285-L292 HydrophobicContact CD2-CB 3.91Å; Y285-L292 HydrophobicContact CD2-CD1 4.26Å; Y285-L292 HydrophobicContact CE2-CB 4.33Å; Y285-V350 WeakPolarHBondContact CE2-O 3.45Å; Y285-V350 PolarHBondContact OH-O 3Å; Y285-F352 AromaticContact CE1-CD2 3.95Å; Y285-F352 HydrophobicContact CE1-CD2 3.95Å; Y285-F352 WeakPolarHBondContact OH-CA 3.25Å; Y285-F352 PolarHBondContact OH-N 2.82Å; Y285-I355 HydrophobicContact CD1-CG1 4.45Å; Y285-I355 HydrophobicContact CD2-CD1 3.82Å; Y285-I355 HydrophobicContact CD2-CG1 4.36Å; Y285-I355 HydrophobicContact CE1-CG1 4.25Å; Y285-I355 HydrophobicContact CE2-CD1 3.63Å; Y285-I355 HydrophobicContact CE2-CG1 4.16Å; Y285-I355 HydrophobicContact CG-CD1 4.39Å; Y285-L397 HydrophobicContact CD1-CD2 4.29Å; Y285-R401 PolarHBondContact O-N 2.8Å |
| 286 | V | 96.1 | Very high | 96.1 | Very high | 20 Ų | 20 | 28 Ų | 28 | 12% | 0.121 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 95 | 175.9 | -176.7 | 0 | 0 | 0 | 0 | 108.6 | T288 A289 G290 K291 R401 | V286-T288 PolarHBondContact O-N 2.93Å; V286-A289 HydrophobicContact CG1-CB 3.99Å; V286-A289 PolarHBondContact O-N 3.33Å; V286-G290 PolarHBondContact O-N 3.34Å; V286-G290 VanDerWaalsContact O-N 3.13Å; V286-K291 HydrophobicContact CB-CB 4.39Å; V286-K291 PolarHBondContact N-O 2.83Å; V286-K291 PolarHBondContact O-N 2.8Å; V286-K291 VanDerWaalsContact O-N 3.13Å; V286-R401 HydrophobicContact CG1-CG 4.21Å; V286-R401 HydrophobicContact CG2-CG 4.23Å |
| 287 | P | 93.2 | Very high | 96.4 | Very high | 45 Ų | 45 | 28.8 Ų | 28.8 | 29% | 0.292 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -56 | -46.7 | -175 | -25.2 | 31.8 | 0 | 0 | 0 | 113.6 | Y285 A289 G290 F352 P400 | Y285-P287 HydrophobicContact CD1-CB 4.47Å; Y285-P287 HydrophobicContact CD1-CG 3.77Å; Y285-P287 HydrophobicContact CE1-CB 3.91Å; Y285-P287 HydrophobicContact CE1-CG 3.69Å; P287-A289 PolarHBondContact O-N 2.56Å; P287-G290 PolarHBondContact O-N 3.44Å; P287-F352 HydrophobicContact CB-CD2 4.42Å; P287-P400 HydrophobicContact CG-CB 4.29Å |
| 288 | T | 91.8 | Very high | 96.6 | Very high | 144 Ų | 144 | 32 Ų | 32 | 88% | 0.883 | 18% | 0.182 | S | C | * | . | G | 310 helix | trans | -58.8 | -22.8 | -177.7 | -39.7 | 0 | 0 | 0 | 0 | 114.3 | V286 | V286-T288 PolarHBondContact O-N 2.93Š|
| 289 | A | 93 | Very high | 96.7 | Very high | 67 Ų | 67 | 30.5 Ų | 30.5 | 55% | 0.554 | 17% | 0.174 | S | C | * | . | G | 310 helix | trans | -113.9 | 5.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V286 P287 K291 | V286-A289 HydrophobicContact CG1-CB 3.99Å; V286-A289 PolarHBondContact O-N 3.33Å; P287-A289 PolarHBondContact O-N 2.56Å; A289-K291 HydrophobicContact CB-CB 4.18Å; A289-K291 PolarHBondContact O-N 2.73Å |
| 290 | G | 94.6 | Very high | 96.5 | Very high | 13 Ų | 13 | 33.8 Ų | 33.8 | 13% | 0.134 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 29.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V286 P287 E349 V350 | V286-G290 PolarHBondContact O-N 3.34Å; V286-G290 VanDerWaalsContact O-N 3.13Å; P287-G290 PolarHBondContact O-N 3.44Å; G290-E349 CarbonylContact O-C 3.56Å; G290-E349 WeakPolarHBondContact O-CA 3.29Å; G290-V350 CarbonylContact C-O 3.6Å; G290-V350 WeakPolarHBondContact CA-O 3.31Å; G290-V350 CarbonylContact O-C 3.44Å; G290-V350 PolarHBondContact O-N 2.72Å; G290-V350 VanDerWaalsContact O-O 3.05Å |
| 291 | K | 96.1 | Very high | 96.3 | Very high | 95 Ų | 95 | 38.3 Ų | 38.3 | 41% | 0.413 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 114.6 | -166.6 | -172.5 | 170.2 | -178.7 | 172.3 | 0 | 111.5 | Y285 V286 A289 S347 | Y285-K291 WeakPolarHBondContact CD2-O 3.31Å; V286-K291 HydrophobicContact CB-CB 4.39Å; V286-K291 PolarHBondContact N-O 2.83Å; V286-K291 PolarHBondContact O-N 2.8Å; V286-K291 VanDerWaalsContact O-N 3.13Å; A289-K291 HydrophobicContact CB-CB 4.18Å; A289-K291 PolarHBondContact O-N 2.73Å; K291-S347 WeakPolarHBondContact CE-OG 3.49Å |
| 292 | L | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 117 | 170.5 | 177.8 | 57.2 | 0 | 0 | 0 | 109.2 | Y285 V294 S347 F348 V350 I355 I360 W393 M396 | Y285-L292 HydrophobicContact CD2-CB 3.91Å; Y285-L292 HydrophobicContact CD2-CD1 4.26Å; Y285-L292 HydrophobicContact CE2-CB 4.33Å; L292-V294 HydrophobicContact CG-CG2 4.45Å; L292-S347 CarbonylContact O-C 3.55Å; L292-S347 WeakPolarHBondContact O-CA 3.34Å; L292-F348 HydrophobicContact CB-CB 4.5Å; L292-F348 PolarHBondContact N-O 2.59Å; L292-F348 PolarHBondContact O-N 2.79Å; L292-V350 HydrophobicContact CB-CG2 4.32Å; L292-V350 HydrophobicContact CD2-CG2 4.28Å; L292-I355 HydrophobicContact CD2-CD1 4.38Å; L292-I360 HydrophobicContact CD2-CD1 3.88Å; L292-I360 HydrophobicContact CD2-CG1 3.86Å; L292-W393 HydrophobicContact CD2-CH2 3.81Å; L292-W393 HydrophobicContact CD2-CZ3 4.23Å; L292-M396 HydrophobicContact CD1-CE 4.39Å; L292-M396 HydrophobicContact CD1-SD 3.44Å; L292-M396 WeakPolarHBondContact CD1-SD 3.28Å |
| 293 | T | 97.6 | Very high | 95.6 | Very high | 16 Ų | 16 | 41.4 Ų | 41.4 | 10% | 0.098 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 130.7 | 172.4 | -62.4 | 0 | 0 | 0 | 0 | 109.7 | R284 V295 F346 S347 | R284-T293 PolarHBondContact N-O 3Å; R284-T293 PolarHBondContact O-N 2.69Å; T293-V295 HydrophobicContact CG2-CG2 4.07Å; T293-F346 CarbonylContact C-O 3.54Å; T293-F346 WeakPolarHBondContact CA-O 3.17Å; T293-S347 PolarHBondContact OG1-OG 3.07Å |
| 294 | V | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 121 | 174 | -173.9 | 0 | 0 | 0 | 0 | 106.9 | F281 S282 L283 L292 I296 I317 F346 F348 I360 | F281-V294 HydrophobicContact CD2-CG1 4.26Å; S282-V294 CarbonylContact O-C 3.52Å; S282-V294 WeakPolarHBondContact O-CA 3.45Å; L283-V294 HydrophobicContact CD2-CB 4.43Å; L283-V294 HydrophobicContact CD2-CG1 4.16Å; L283-V294 HydrophobicContact CD2-CG2 3.87Å; L292-V294 HydrophobicContact CG-CG2 4.45Å; V294-I296 HydrophobicContact CG1-CD1 4.19Å; V294-I317 HydrophobicContact CG1-CD1 4.18Å; V294-F346 PolarHBondContact N-O 2.96Å; V294-F346 PolarHBondContact O-N 3.07Å; V294-F348 HydrophobicContact CG2-CD2 4.25Å; V294-F348 HydrophobicContact CG2-CE2 4.06Å; V294-I360 HydrophobicContact CG2-CG2 4.39Å |
| 295 | V | 98.4 | Very high | 94.5 | Very high | 23 Ų | 23 | 45.3 Ų | 45.3 | 14% | 0.139 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 115.2 | 173.8 | -167.6 | 0 | 0 | 0 | 0 | 108.5 | F281 S282 T293 L297 E344 | F281-V295 CarbonylContact C-O 3.56Å; F281-V295 WeakPolarHBondContact CA-O 3.21Å; F281-V295 VanDerWaalsContact CB-O 3.29Å; F281-V295 WeakPolarHBondContact CB-O 3.38Å; S282-V295 PolarHBondContact N-O 2.78Å; S282-V295 PolarHBondContact O-N 2.84Å; S282-V295 WeakPolarHBondContact OG-CB 3.41Å; T293-V295 HydrophobicContact CG2-CG2 4.07Å; V295-L297 HydrophobicContact CG1-CD2 4.03Å; V295-L297 PolarHBondContact O-N 2.8Å; V295-E344 CarbonylContact C-O 3.58Å; V295-E344 WeakPolarHBondContact CA-O 3.39Å |
| 296 | I | 98.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 115.5 | 171.8 | -56 | -55.6 | 0 | 0 | 0 | 106.8 | I279 F281 V294 V315 I317 T331 Y342 N343 E344 F346 V362 | I279-I296 HydrophobicContact CD1-CG2 4.33Å; F281-I296 HydrophobicContact CB-CD1 3.86Å; F281-I296 HydrophobicContact CG-CD1 4.44Å; V294-I296 HydrophobicContact CG1-CD1 4.19Å; I296-V315 HydrophobicContact CD1-CG1 4.15Å; I296-V315 HydrophobicContact CG1-CG1 4.3Å; I296-V315 HydrophobicContact CG2-CB 4.38Å; I296-V315 HydrophobicContact CG2-CG2 3.95Å; I296-I317 HydrophobicContact CD1-CD1 3.81Å; I296-I317 HydrophobicContact CD1-CG1 4.24Å; I296-I317 HydrophobicContact CG1-CD1 3.75Å; I296-I317 HydrophobicContact CG1-CG1 4.4Å; I296-T331 HydrophobicContact CB-CG2 4.17Å; I296-T331 HydrophobicContact CG1-CG2 4.17Å; I296-T331 HydrophobicContact CG2-CG2 4.24Å; I296-Y342 HydrophobicContact CG2-CD2 3.65Å; I296-Y342 HydrophobicContact CG2-CE2 4.28Å; I296-Y342 HydrophobicContact CG2-CG 4Å; I296-N343 CarbonylContact O-C 3.47Å; I296-N343 WeakPolarHBondContact O-CA 3.38Å; I296-N343 PolarHBondContact O-N 2.9Å; I296-E344 PolarHBondContact N-O 3.2Å; I296-E344 PolarHBondContact O-N 3.24Å; I296-F346 HydrophobicContact CB-CE2 4.49Å; I296-F346 HydrophobicContact CG1-CD2 4.2Å; I296-F346 HydrophobicContact CG1-CE2 3.95Å; I296-V362 HydrophobicContact CD1-CG1 4.19Å |
| 297 | L | 97.8 | Very high | 92.7 | Very high | 39 Ų | 39 | 54 Ų | 54 | 20% | 0.204 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -65.4 | -176.9 | -62.7 | 171.8 | 0 | 0 | 0 | 109 | C280 V295 Y342 N343 A405 | C280-L297 HydrophobicContact CB-CB 4.37Å; C280-L297 WeakPolarHBondContact O-CB 3.43Å; C280-L297 PolarHBondContact O-N 3.23Å; V295-L297 HydrophobicContact CG1-CD2 4.03Å; V295-L297 PolarHBondContact O-N 2.8Å; L297-Y342 WeakPolarHBondContact O-CA 3.12Å; L297-Y342 PolarHBondContact O-N 2.93Å; L297-N343 PolarHBondContact O-N 3.36Å; L297-A405 HydrophobicContact CD1-CB 3.94Å |
| 298 | E | 96.9 | Very high | 91.4 | Very high | 72 Ų | 72 | 55.5 Ų | 55.5 | 34% | 0.336 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 169.6 | -174.9 | 58.1 | -174.7 | -167.3 | 0 | 0 | 111.1 | C280 P340 Y341 W407 | C280-E298 HydrophobicContact CB-CG 3.9Å; C280-E298 PolarHBondContact N-O 3.1Å; C280-E298 PolarHBondContact O-N 2.89Å; E298-P340 CarbonylContact C-O 3.59Å; E298-P340 WeakPolarHBondContact CA-O 3.11Å; E298-P340 WeakPolarHBondContact CB-O 3.32Å; E298-Y341 HydrophobicContact CB-CD2 4.11Å; E298-W407 HydrophobicContact CG-CH2 3.83Å; E298-W407 HydrophobicContact CG-CZ2 4.24Å; E298-W407 VanDerWaalsContact OE1-CZ2 3.24Å; E298-W407 WeakPolarHBondContact OE1-CZ2 3.34Å |
| 299 | A | 97.6 | Very high | 90.6 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 2% | 0.017 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 160.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | D278 I279 L302 N339 P340 | D278-A299 CarbonylContact O-C 3.55Å; D278-A299 WeakPolarHBondContact O-CA 3.34Å; D278-A299 VanDerWaalsContact O-CB 3.32Å; D278-A299 WeakPolarHBondContact O-CB 3.02Å; I279-A299 HydrophobicContact CB-CB 4.24Å; I279-A299 HydrophobicContact CG1-CB 4.26Å; A299-L302 HydrophobicContact CB-CD1 4.23Å; A299-L302 HydrophobicContact CB-CD2 3.99Å; A299-L302 HydrophobicContact CB-CG 4.23Å; A299-N339 CarbonylContact O-C 3.39Å; A299-N339 VanDerWaalsContact O-CA 3.23Å; A299-N339 WeakPolarHBondContact O-CA 3.48Å; A299-P340 HydrophobicContact CB-CG 4.01Å; A299-P340 PolarHBondContact N-O 3.3Å; A299-P340 WeakPolarHBondContact O-CD 3.28Å |
| 300 | K | 94.4 | Very high | 90.2 | Very high | 70 Ų | 70 | 49.6 Ų | 49.6 | 30% | 0.304 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 158.9 | -179.9 | 71.2 | -176 | 176.5 | -178.9 | 0 | 111.9 | G277 D278 L302 L338 N339 W407 | G277-K300 WeakPolarHBondContact CA-O 3.5Å; D278-K300 HydrophobicContact CB-CG 4.1Å; D278-K300 PolarHBondContact N-O 3.06Å; D278-K300 PolarHBondContact O-N 3.18Å; D278-K300 WeakPolarHBondContact OD2-CE 3.37Å; D278-K300 IonicContact OD2-NZ 3.63Å; K300-L302 PolarHBondContact O-N 2.91Å; K300-L302 VanDerWaalsContact O-N 3.13Å; K300-L338 CarbonylContact C-O 3.5Å; K300-N339 WeakPolarHBondContact CA-OD1 3.14Å; K300-N339 WeakPolarHBondContact CB-OD1 3.3Å; K300-W407 HydrophobicContact CB-CH2 4.18Å; K300-W407 HydrophobicContact CB-CZ3 4.26Å; K300-W407 HydrophobicContact CD-CE3 4.32Å; K300-W407 HydrophobicContact CD-CH2 3.57Å; K300-W407 HydrophobicContact CD-CZ2 4.14Å; K300-W407 HydrophobicContact CD-CZ3 3.68Å; K300-W407 HydrophobicContact CG-CE3 4.46Å; K300-W407 HydrophobicContact CG-CH2 3.83Å; K300-W407 HydrophobicContact CG-CZ3 3.61Å |
| 301 | N | 92.6 | Very high | 90 | Very high | 105 Ų | 105 | 49 Ų | 49 | 56% | 0.561 | 27% | 0.273 | S | S | * | . | S | Bend | trans | 51.5 | 33.4 | 175.8 | -59.1 | -24 | 0 | 0 | 0 | 113.4 | G277 L338 N339 | G277-N301 WeakPolarHBondContact CA-O 3.29Å; N301-L338 PolarHBondContact N-O 2.82Å; N301-N339 PolarHBondContact N-OD1 3.02Å |
| 302 | L | 93.6 | Very high | 89.8 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 144.1 | -178.9 | -66.7 | 179.5 | 0 | 0 | 0 | 111.2 | L276 A299 K300 K304 P313 L338 P340 V364 I376 L410 | L276-L302 WeakPolarHBondContact O-CA 3.5Å; A299-L302 HydrophobicContact CB-CD1 4.23Å; A299-L302 HydrophobicContact CB-CD2 3.99Å; A299-L302 HydrophobicContact CB-CG 4.23Å; K300-L302 PolarHBondContact O-N 2.91Å; K300-L302 VanDerWaalsContact O-N 3.13Å; L302-K304 PolarHBondContact O-N 3.07Å; L302-P313 HydrophobicContact CD1-CB 3.72Å; L302-P313 HydrophobicContact CD1-CG 3.96Å; L302-L338 HydrophobicContact CB-CB 4.32Å; L302-L338 HydrophobicContact CB-CD2 4.47Å; L302-L338 WeakPolarHBondContact CG-O 3.33Å; L302-L338 PolarHBondContact N-O 2.94Å; L302-L338 WeakPolarHBondContact O-CD2 3.35Å; L302-P340 HydrophobicContact CD1-CG 3.71Å; L302-V364 HydrophobicContact CD1-CG1 4.01Å; L302-V364 HydrophobicContact CD2-CG1 4.07Å; L302-I376 HydrophobicContact CB-CG2 4.35Å; L302-I376 HydrophobicContact CD1-CD1 4.49Å; L302-I376 HydrophobicContact CD2-CG2 4.27Å; L302-L410 HydrophobicContact CD2-CD1 3.56Å |
| 303 | K | 88.9 | Confident | 89.8 | Confident | 70 Ų | 70 | 44.9 Ų | 44.9 | 30% | 0.304 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -65 | 124.6 | 170.6 | 173.8 | 174.2 | 173.9 | 174.8 | 0 | 110 | E274 L276 M305 I376 | E274-K303 IonicContact OE2-NZ 2.66Å; E274-K303 PolarHBondContact OE2-NZ 3.33Å; L276-K303 HydrophobicContact CD2-CB 4.33Å; L276-K303 HydrophobicContact CD2-CD 3.75Å; L276-K303 PolarHBondContact O-N 2.75Å; L276-K303 VanDerWaalsContact O-N 3.09Å; K303-M305 HydrophobicContact CD-SD 4.32Å; K303-M305 HydrophobicContact CG-SD 4.09Å; K303-I376 HydrophobicContact CB-CG2 4.17Å |
| 304 | K | 87.5 | Confident | 89.8 | Confident | 100 Ų | 100 | 44.8 Ų | 44.8 | 44% | 0.435 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 131.7 | 171.7 | 153.4 | 166.5 | -179.6 | 165.6 | 0 | 110.7 | L302 D306 G309 L310 L338 | L302-K304 PolarHBondContact O-N 3.07Å; K304-D306 WeakPolarHBondContact CE-O 3.46Å; K304-G309 WeakPolarHBondContact CE-O 3.31Å; K304-G309 PolarHBondContact NZ-O 2.87Å; K304-L310 WeakPolarHBondContact CG-O 3.42Å; K304-L338 HydrophobicContact CB-CD1 4.28Å; K304-L338 HydrophobicContact CB-CD2 4.07Å |
| 305 | M | 84 | Confident | 89.8 | Confident | 65 Ų | 65 | 44.8 Ų | 44.8 | 32% | 0.32 | 25% | 0.253 | S | S | . | . | trans | -112.1 | -32.8 | 174.6 | -45.8 | -65.9 | -77.7 | 0 | 0 | 112.7 | K303 V307 L310 S311 D366 D374 I376 | K303-M305 HydrophobicContact CD-SD 4.32Å; K303-M305 HydrophobicContact CG-SD 4.09Å; M305-V307 PolarHBondContact O-N 2.89Å; M305-L310 PolarHBondContact N-O 2.81Å; M305-S311 PolarHBondContact N-OG 3.35Å; M305-D366 HydrophobicContact CB-CB 4.34Å; M305-D366 VanDerWaalsContact CB-OD2 3.31Å; M305-D366 WeakPolarHBondContact CB-OD2 3.37Å; M305-D366 HydrophobicContact CG-CB 4.14Å; M305-D366 WeakPolarHBondContact CG-OD2 3.3Å; M305-D374 HydrophobicContact CE-CB 4.03Å; M305-I376 HydrophobicContact CG-CD1 4.45Å; M305-I376 HydrophobicContact CG-CG1 3.87Å; M305-I376 HydrophobicContact SD-CG1 4.4Å | ||
| 306 | D | 82.4 | Confident | 89.8 | Confident | 46 Ų | 46 | 45.4 Ų | 45.4 | 25% | 0.246 | 25% | 0.254 | C | S | . | . | trans | -63.3 | 129.2 | -174.9 | -84.7 | -44 | 0 | 0 | 0 | 113.4 | K304 G308 L310 | K304-D306 WeakPolarHBondContact CE-O 3.46Å; D306-G308 PolarHBondContact O-N 2.84Å; D306-L310 PolarHBondContact N-O 2.99Å | ||
| 307 | V | 71.8 | Confident | 89.7 | Confident | 159 Ų | 159 | 45.4 Ų | 45.4 | 96% | 0.964 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -76.9 | 74.4 | 168.8 | -171.7 | 0 | 0 | 0 | 0 | 110.2 | M305 | M305-V307 PolarHBondContact O-N 2.89Š|
| 308 | G | 67.6 | Low | 89.7 | Confident | 75 Ų | 75 | 44.3 Ų | 44.3 | 77% | 0.773 | 25% | 0.247 | S | C | * | . | S | Bend | trans | 131 | -20.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D306 | D306-G308 PolarHBondContact O-N 2.84Š|
| 309 | G | 73.3 | Confident | 89.6 | Confident | 25 Ų | 25 | 41 Ų | 41 | 26% | 0.258 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -94.8 | -150.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K304 | K304-G309 WeakPolarHBondContact CE-O 3.31Å; K304-G309 PolarHBondContact NZ-O 2.87Å |
| 310 | L | 85.3 | Confident | 89.4 | Confident | 63 Ų | 63 | 41.6 Ų | 41.6 | 33% | 0.33 | 24% | 0.235 | S | C | . | . | trans | -107.2 | -86.2 | 161.2 | -69 | 178.6 | 0 | 0 | 0 | 108.6 | K304 M305 D306 N336 L338 | K304-L310 WeakPolarHBondContact CG-O 3.42Å; M305-L310 PolarHBondContact N-O 2.81Å; D306-L310 PolarHBondContact N-O 2.99Å; L310-N336 WeakPolarHBondContact CB-OD1 3.18Å; L310-N336 PolarHBondContact N-OD1 3.37Å; L310-L338 HydrophobicContact CB-CD2 3.96Å; L310-L338 HydrophobicContact CB-CG 4.1Å; L310-L338 HydrophobicContact CD1-CG 4.46Å; L310-L338 HydrophobicContact CD2-CD1 4.11Å; L310-L338 HydrophobicContact CD2-CG 4.23Å; L310-L338 HydrophobicContact CG-CG 4.5Å | ||
| 311 | S | 89.7 | Confident | 89.2 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -161.4 | 153.6 | 171 | -78.6 | 0 | 0 | 0 | 0 | 107.8 | M305 P313 N336 T337 D366 | M305-S311 PolarHBondContact N-OG 3.35Å; S311-P313 WeakPolarHBondContact O-CD 3.19Å; S311-N336 CarbonylContact O-C 3.52Å; S311-N336 WeakPolarHBondContact O-CA 3.33Å; S311-N336 PolarHBondContact O-N 2.93Å; S311-T337 PolarHBondContact O-N 3.27Å; S311-D366 VanDerWaalsContact CA-OD2 3.29Å; S311-D366 WeakPolarHBondContact CA-OD2 3.07Å; S311-D366 WeakPolarHBondContact CB-OD2 3.27Å; S311-D366 PolarHBondContact OG-OD2 2.66Å | ||
| 312 | D | 93.4 | Very high | 88.8 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 4% | 0.043 | 23% | 0.234 | C | C | . | . | trans | -102.7 | 63.5 | 166.7 | -82.2 | 3.4 | 0 | 0 | 0 | 109.9 | I333 K334 K335 N336 D366 Y367 K369 | D312-I333 HydrophobicContact CB-CG2 4.09Å; D312-I333 WeakPolarHBondContact O-CG2 3.44Å; D312-K334 CarbonylContact C-O 3.57Å; D312-K334 WeakPolarHBondContact CA-O 3.46Å; D312-K335 WeakPolarHBondContact OD1-CA 3.22Å; D312-K335 VanDerWaalsContact OD1-CB 3.32Å; D312-K335 WeakPolarHBondContact OD1-CB 3.5Å; D312-N336 PolarHBondContact OD1-N 2.95Å; D312-D366 WeakPolarHBondContact CA-OD1 3.28Å; D312-D366 PolarHBondContact N-OD1 2.91Å; D312-Y367 HydrophobicContact CB-CD1 4.49Å; D312-Y367 VanDerWaalsContact O-CB 3.27Å; D312-Y367 WeakPolarHBondContact O-CB 3.45Å; D312-Y367 PolarHBondContact O-N 2.91Å; D312-K369 IonicContact OD2-NZ 3.26Å | ||
| 313 | P | 96.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -67.3 | 148.4 | -167.7 | 29.2 | -39.6 | 0 | 0 | 0 | 115.6 | L302 S311 K334 T337 P340 Y342 V364 L365 I376 | L302-P313 HydrophobicContact CD1-CB 3.72Å; L302-P313 HydrophobicContact CD1-CG 3.96Å; S311-P313 WeakPolarHBondContact O-CD 3.19Å; P313-K334 WeakPolarHBondContact CD-O 3.28Å; P313-K334 VanDerWaalsContact N-O 3.13Å; P313-K334 PolarHBondContact O-N 2.91Å; P313-T337 VanDerWaalsContact CD-O 3.26Å; P313-T337 WeakPolarHBondContact CD-O 3.18Å; P313-T337 HydrophobicContact CG-CG2 4.1Å; P313-T337 WeakPolarHBondContact CG-O 3.08Å; P313-P340 HydrophobicContact CB-CG 4.2Å; P313-P340 HydrophobicContact CG-CB 3.84Å; P313-P340 HydrophobicContact CG-CG 3.66Å; P313-Y342 PolarHBondContact O-OH 2.7Å; P313-V364 HydrophobicContact CB-CG1 4.39Å; P313-L365 CarbonylContact C-O 3.47Å; P313-L365 VanDerWaalsContact CA-O 3.31Å; P313-L365 WeakPolarHBondContact CA-O 3.3Å; P313-I376 HydrophobicContact CB-CD1 4.34Å | ||
| 314 | Y | 97.4 | Very high | 88.1 | Confident | 15 Ų | 15 | 46.3 Ų | 46.3 | 6% | 0.059 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 157.3 | 167 | 72.4 | -73.4 | 0 | 0 | 0 | 112.1 | K316 T332 I333 Y342 L365 D366 Y367 N373 | Y314-K316 HydrophobicContact CD2-CG 4.45Å; Y314-K316 HydrophobicContact CE2-CD 4.3Å; Y314-K316 HydrophobicContact CE2-CG 3.99Å; Y314-K316 VanDerWaalsContact CZ-CE 3.48Å; Y314-K316 WeakPolarHBondContact OH-CE 3.45Å; Y314-K316 PolarHBondContact OH-NZ 3.35Å; Y314-T332 WeakPolarHBondContact CB-O 3.19Å; Y314-I333 HydrophobicContact CD1-CG1 4.05Å; Y314-I333 HydrophobicContact CG-CG1 3.92Å; Y314-Y342 WeakPolarHBondContact CA-OH 3.35Å; Y314-L365 HydrophobicContact CD1-CB 4.42Å; Y314-L365 WeakPolarHBondContact CD1-O 3.18Å; Y314-L365 HydrophobicContact CE1-CB 3.97Å; Y314-L365 PolarHBondContact N-O 2.98Å; Y314-L365 PolarHBondContact O-N 3.48Å; Y314-D366 WeakPolarHBondContact CE1-O 3.42Å; Y314-Y367 HydrophobicContact CE1-CD2 4.45Å; Y314-N373 WeakPolarHBondContact CE1-OD1 3.49Å; Y314-N373 VanDerWaalsContact OH-CG 3.32Å; Y314-N373 PolarHBondContact OH-OD1 3.46Å |
| 315 | V | 98.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 130.2 | -175.2 | -170.7 | 0 | 0 | 0 | 0 | 110.7 | I279 I296 I317 K330 T331 Y342 V362 T363 V364 | I279-V315 HydrophobicContact CD1-CG1 4Å; I279-V315 HydrophobicContact CD1-CG2 3.87Å; I296-V315 HydrophobicContact CD1-CG1 4.15Å; I296-V315 HydrophobicContact CG1-CG1 4.3Å; I296-V315 HydrophobicContact CG2-CB 4.38Å; I296-V315 HydrophobicContact CG2-CG2 3.95Å; V315-I317 HydrophobicContact CG1-CG1 4.48Å; V315-K330 CarbonylContact O-C 3.59Å; V315-K330 WeakPolarHBondContact O-CA 3.22Å; V315-T331 HydrophobicContact CB-CG2 3.86Å; V315-T331 HydrophobicContact CG2-CG2 4.36Å; V315-T331 PolarHBondContact N-OG1 2.78Å; V315-T331 PolarHBondContact O-N 3.42Å; V315-Y342 HydrophobicContact CG2-CD2 4.46Å; V315-Y342 HydrophobicContact CG2-CE1 4.4Å; V315-Y342 HydrophobicContact CG2-CE2 3.8Å; V315-V362 HydrophobicContact CG1-CG1 3.42Å; V315-V362 VanDerWaalsContact CG1-CG1 3.42Å; V315-T363 CarbonylContact C-O 3.47Å; V315-T363 WeakPolarHBondContact CA-O 3.34Å; V315-V364 HydrophobicContact CG2-CG2 4.25Å |
| 316 | K | 97.8 | Very high | 88.7 | Confident | 35 Ų | 35 | 50.1 Ų | 50.1 | 15% | 0.152 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 136 | 167 | -66.3 | 173.2 | -164 | 147 | 0 | 109.1 | Y314 K330 T363 L365 | Y314-K316 HydrophobicContact CD2-CG 4.45Å; Y314-K316 HydrophobicContact CE2-CD 4.3Å; Y314-K316 HydrophobicContact CE2-CG 3.99Å; Y314-K316 VanDerWaalsContact CZ-CE 3.48Å; Y314-K316 WeakPolarHBondContact OH-CE 3.45Å; Y314-K316 PolarHBondContact OH-NZ 3.35Å; K316-K330 HydrophobicContact CG-CB 4.49Å; K316-T363 PolarHBondContact N-O 3.48Å; K316-T363 PolarHBondContact O-N 3.02Å; K316-L365 HydrophobicContact CB-CD1 4.09Å; K316-L365 HydrophobicContact CD-CD1 3.45Å; K316-L365 VanDerWaalsContact CD-CD1 3.45Å; K316-L365 HydrophobicContact CG-CD1 3.74Å |
| 317 | I | 98 | Very high | 89.3 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 124 | 175.5 | -47.9 | 174 | 0 | 0 | 0 | 108.2 | V294 I296 V315 K328 K329 F346 F348 I360 V361 | V294-I317 HydrophobicContact CG1-CD1 4.18Å; I296-I317 HydrophobicContact CD1-CD1 3.81Å; I296-I317 HydrophobicContact CD1-CG1 4.24Å; I296-I317 HydrophobicContact CG1-CD1 3.75Å; I296-I317 HydrophobicContact CG1-CG1 4.4Å; V315-I317 HydrophobicContact CG1-CG1 4.48Å; I317-K328 CarbonylContact O-C 3.54Å; I317-K328 WeakPolarHBondContact O-CA 3.28Å; I317-K329 PolarHBondContact N-O 3.26Å; I317-K329 PolarHBondContact O-N 3.36Å; I317-F346 HydrophobicContact CD1-CB 4.15Å; I317-F346 HydrophobicContact CD1-CD2 3.31Å; I317-F346 HydrophobicContact CD1-CE2 3.89Å; I317-F346 HydrophobicContact CD1-CG 3.86Å; I317-F348 HydrophobicContact CB-CZ 4.23Å; I317-F348 HydrophobicContact CG2-CE2 3.99Å; I317-F348 HydrophobicContact CG2-CZ 3.71Å; I317-I360 HydrophobicContact CG2-CG2 3.62Å; I317-V361 WeakPolarHBondContact CA-O 3.35Å |
| 318 | H | 96.8 | Very high | 90.5 | Very high | 16 Ų | 16 | 51.1 Ų | 51.1 | 7% | 0.074 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 121 | 175.4 | -57.1 | 96.2 | 0 | 0 | 0 | 110.1 | M320 K327 K328 V361 | H318-M320 HydrophobicContact CB-SD 4.24Å; H318-K327 WeakPolarHBondContact CA-O 3.45Å; H318-K328 WeakPolarHBondContact NE2-CD 3.47Å; H318-K328 WeakPolarHBondContact NE2-CE 3.32Å; H318-V361 HydrophobicContact CB-CB 4.39Å; H318-V361 PolarHBondContact N-O 3.47Å; H318-V361 PolarHBondContact O-N 2.9Å |
| 319 | L | 95.9 | Very high | 91.9 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 119.2 | 163.4 | 176.3 | 67.9 | 0 | 0 | 0 | 108.1 | L326 K327 F348 V350 V358 I360 | L319-L326 HydrophobicContact CD2-CB 4.26Å; L319-L326 HydrophobicContact CD2-CD1 4.31Å; L319-L326 HydrophobicContact CG-CB 4.29Å; L319-L326 HydrophobicContact CG-CD1 4.39Å; L319-L326 PolarHBondContact O-N 3.17Å; L319-K327 HydrophobicContact CB-CB 4.22Å; L319-K327 HydrophobicContact CD2-CB 4.37Å; L319-K327 HydrophobicContact CD2-CD 4.5Å; L319-K327 PolarHBondContact N-O 3.06Å; L319-F348 HydrophobicContact CB-CD1 3.88Å; L319-F348 HydrophobicContact CB-CE1 3.97Å; L319-F348 HydrophobicContact CD2-CB 4.4Å; L319-F348 HydrophobicContact CD2-CD1 4.15Å; L319-V350 HydrophobicContact CD1-CG2 3.98Å; L319-V350 HydrophobicContact CD2-CG2 4.1Å; L319-V358 HydrophobicContact CD1-CB 3.86Å; L319-V358 HydrophobicContact CD1-CG1 4.05Å; L319-V358 HydrophobicContact CD1-CG2 4.31Å; L319-I360 HydrophobicContact CB-CD1 4.21Å; L319-I360 HydrophobicContact CD1-CD1 3.67Å |
| 320 | M | 93 | Very high | 93 | Very high | 13 Ų | 13 | 56.5 Ų | 56.5 | 6% | 0.064 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 149.2 | 178.9 | -56.6 | -68.3 | -71.8 | 0 | 0 | 110.7 | H318 K324 R325 V358 Q359 V361 | H318-M320 HydrophobicContact CB-SD 4.24Å; M320-K324 VanDerWaalsContact CA-O 3.32Å; M320-K324 WeakPolarHBondContact CA-O 3.2Å; M320-R325 HydrophobicContact CE-CG 4.01Å; M320-R325 HydrophobicContact SD-CB 3.99Å; M320-R325 HydrophobicContact SD-CG 3.6Å; M320-V358 CarbonylContact O-C 3.44Å; M320-V358 VanDerWaalsContact O-CA 3.26Å; M320-V358 WeakPolarHBondContact O-CA 3.16Å; M320-V358 WeakPolarHBondContact O-CB 3.49Å; M320-Q359 HydrophobicContact CB-CB 4.15Å; M320-Q359 PolarHBondContact N-O 2.88Å; M320-Q359 PolarHBondContact O-N 3.39Å; M320-V361 HydrophobicContact CG-CB 4.35Å; M320-V361 HydrophobicContact CG-CG2 3.52Å |
| 321 | Q | 89.7 | Confident | 93.6 | Very high | 39 Ų | 39 | 53.8 Ų | 53.8 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 134.1 | 167.7 | -169.8 | 179.5 | 67.1 | 0 | 0 | 108.8 | G323 K324 L326 V358 | Q321-G323 PolarHBondContact O-N 2.94Å; Q321-G323 VanDerWaalsContact O-N 3.12Å; Q321-K324 PolarHBondContact N-O 3.02Å; Q321-K324 PolarHBondContact O-N 2.73Å; Q321-L326 HydrophobicContact CB-CD1 3.57Å; Q321-L326 HydrophobicContact CB-CG 4.07Å; Q321-V358 HydrophobicContact CB-CG1 4.37Å; Q321-V358 HydrophobicContact CG-CG1 4.37Å |
| 322 | N | 84.1 | Confident | 94 | Very high | 126 Ų | 126 | 57.3 Ų | 57.3 | 67% | 0.674 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 40.4 | -179.1 | -55.7 | -2.5 | 0 | 0 | 0 | 113.2 | K324 | N322-K324 PolarHBondContact O-N 3.37Š|
| 323 | G | 80.8 | Confident | 94.2 | Very high | 29 Ų | 29 | 59.7 Ų | 59.7 | 30% | 0.299 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 6.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q321 | Q321-G323 PolarHBondContact O-N 2.94Å; Q321-G323 VanDerWaalsContact O-N 3.12Å |
| 324 | K | 87.3 | Confident | 94.1 | Very high | 154 Ų | 154 | 62.3 Ų | 62.3 | 67% | 0.67 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 142.7 | 174.6 | -62.8 | -173.8 | 179 | -177.8 | 0 | 111.1 | M320 Q321 N322 | M320-K324 VanDerWaalsContact CA-O 3.32Å; M320-K324 WeakPolarHBondContact CA-O 3.2Å; Q321-K324 PolarHBondContact N-O 3.02Å; Q321-K324 PolarHBondContact O-N 2.73Å; N322-K324 PolarHBondContact O-N 3.37Å |
| 325 | R | 91.9 | Very high | 93.9 | Very high | 160 Ų | 160 | 68.5 Ų | 68.5 | 60% | 0.604 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 115.1 | 173.9 | -43.6 | -157.7 | 160.3 | 150.3 | -5.3 | 108.7 | M320 D417 | M320-R325 HydrophobicContact CE-CG 4.01Å; M320-R325 HydrophobicContact SD-CB 3.99Å; M320-R325 HydrophobicContact SD-CG 3.6Å; R325-D417 IonicContact NH2-OD2 3.67Å |
| 326 | L | 91.7 | Very high | 93.6 | Very high | 85 Ų | 85 | 73 Ų | 73 | 45% | 0.445 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -53.1 | -176.2 | -64.8 | -174.4 | 0 | 0 | 0 | 113.3 | L319 Q321 | L319-L326 HydrophobicContact CD2-CB 4.26Å; L319-L326 HydrophobicContact CD2-CD1 4.31Å; L319-L326 HydrophobicContact CG-CB 4.29Å; L319-L326 HydrophobicContact CG-CD1 4.39Å; L319-L326 PolarHBondContact O-N 3.17Å; Q321-L326 HydrophobicContact CB-CD1 3.57Å; Q321-L326 HydrophobicContact CB-CG 4.07Å |
| 327 | K | 94.8 | Very high | 93.4 | Very high | 90 Ų | 90 | 72.9 Ų | 72.9 | 39% | 0.391 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 140.2 | -178.5 | -74.2 | 177 | 176.3 | 164.4 | 0 | 109.2 | H318 L319 F348 E349 | H318-K327 WeakPolarHBondContact CA-O 3.45Å; L319-K327 HydrophobicContact CB-CB 4.22Å; L319-K327 HydrophobicContact CD2-CB 4.37Å; L319-K327 HydrophobicContact CD2-CD 4.5Å; L319-K327 PolarHBondContact N-O 3.06Å; K327-F348 HydrophobicContact CB-CD1 3.93Å; K327-F348 HydrophobicContact CB-CE1 4.01Å; K327-F348 HydrophobicContact CD-CD1 4.47Å; K327-E349 IonicContact NZ-OE2 3.93Å; K327-E349 PolarHBondContact NZ-OE2 3.29Å |
| 328 | K | 96.5 | Very high | 93.1 | Very high | 137 Ų | 137 | 74.7 Ų | 74.7 | 60% | 0.596 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 138 | -179.6 | -179.8 | 178.2 | -177.9 | -179.9 | 0 | 110.2 | I317 H318 | I317-K328 CarbonylContact O-C 3.54Å; I317-K328 WeakPolarHBondContact O-CA 3.28Å; H318-K328 WeakPolarHBondContact NE2-CD 3.47Å; H318-K328 WeakPolarHBondContact NE2-CE 3.32Å |
| 329 | K | 97.7 | Very high | 93.1 | Very high | 79 Ų | 79 | 78.3 Ų | 78.3 | 34% | 0.343 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 162.7 | 171.3 | -66.9 | 179.4 | 178.8 | -71.5 | 0 | 109.5 | I317 F346 S347 F348 | I317-K329 PolarHBondContact N-O 3.26Å; I317-K329 PolarHBondContact O-N 3.36Å; K329-F346 HydrophobicContact CB-CD1 3.91Å; K329-F346 HydrophobicContact CB-CE1 4.4Å; K329-F346 HydrophobicContact CB-CG 4.36Å; K329-F346 HydrophobicContact CD-CB 3.76Å; K329-F346 HydrophobicContact CD-CD1 3.87Å; K329-F346 HydrophobicContact CD-CG 4.19Å; K329-F346 HydrophobicContact CG-CD1 4.4Å; K329-S347 WeakPolarHBondContact CE-O 3.26Å; K329-F348 HydrophobicContact CB-CZ 4.39Å; K329-F348 HydrophobicContact CD-CE1 4.01Å; K329-F348 HydrophobicContact CD-CE2 4.29Å; K329-F348 HydrophobicContact CD-CZ 3.81Å; K329-F348 HydrophobicContact CG-CE1 4.24Å; K329-F348 HydrophobicContact CG-CZ 4.17Å |
| 330 | K | 97.4 | Very high | 93.1 | Very high | 133 Ų | 133 | 78.2 Ų | 78.2 | 58% | 0.578 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 154.9 | 176.3 | 65.4 | 165.8 | -172.3 | 166.9 | 0 | 110.7 | V315 K316 F346 | V315-K330 CarbonylContact O-C 3.59Å; V315-K330 WeakPolarHBondContact O-CA 3.22Å; K316-K330 HydrophobicContact CG-CB 4.49Å; K330-F346 WeakPolarHBondContact O-CE1 3.27Å; K330-F346 WeakPolarHBondContact O-CZ 3.16Å |
| 331 | T | 98 | Very high | 93.4 | Very high | 7 Ų | 7 | 84.2 Ų | 84.2 | 4% | 0.043 | 40% | 0.4 | C | S | . | . | trans | -79.5 | 176.3 | 170.5 | 60.1 | 0 | 0 | 0 | 0 | 112.8 | I296 V315 Y342 E344 F346 | I296-T331 HydrophobicContact CB-CG2 4.17Å; I296-T331 HydrophobicContact CG1-CG2 4.17Å; I296-T331 HydrophobicContact CG2-CG2 4.24Å; V315-T331 HydrophobicContact CB-CG2 3.86Å; V315-T331 HydrophobicContact CG2-CG2 4.36Å; V315-T331 PolarHBondContact N-OG1 2.78Å; V315-T331 PolarHBondContact O-N 3.42Å; T331-Y342 HydrophobicContact CG2-CD1 3.83Å; T331-Y342 HydrophobicContact CG2-CE1 4.27Å; T331-Y342 HydrophobicContact CG2-CG 4.22Å; T331-Y342 WeakPolarHBondContact OG1-CE1 3.32Å; T331-E344 WeakPolarHBondContact CA-OE2 3.3Å; T331-E344 WeakPolarHBondContact CB-OE1 3.35Å; T331-E344 HydrophobicContact CG2-CB 4.31Å; T331-F346 HydrophobicContact CG2-CE2 3.84Å; T331-F346 HydrophobicContact CG2-CZ 3.87Å | ||
| 332 | T | 97.4 | Very high | 93.7 | Very high | 73 Ų | 73 | 82.9 Ų | 82.9 | 45% | 0.448 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 161.2 | 152.8 | 64.8 | 0 | 0 | 0 | 0 | 111.3 | Y314 K334 E344 | Y314-T332 WeakPolarHBondContact CB-O 3.19Å; T332-K334 WeakPolarHBondContact OG1-CE 3.33Å; T332-K334 PolarHBondContact OG1-NZ 3.35Å; T332-E344 WeakPolarHBondContact CB-OE1 3.46Å; T332-E344 PolarHBondContact N-OE1 2.92Å; T332-E344 PolarHBondContact N-OE2 3.42Å; T332-E344 PolarHBondContact OG1-OE1 2.85Å |
| 333 | I | 96.6 | Very high | 94.4 | Very high | 58 Ų | 58 | 81.1 Ų | 81.1 | 30% | 0.297 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -94.5 | 130.1 | 174.2 | -64.5 | 154.8 | 0 | 0 | 0 | 108.1 | D312 Y314 Y367 | D312-I333 HydrophobicContact CB-CG2 4.09Å; D312-I333 WeakPolarHBondContact O-CG2 3.44Å; Y314-I333 HydrophobicContact CD1-CG1 4.05Å; Y314-I333 HydrophobicContact CG-CG1 3.92Å; I333-Y367 HydrophobicContact CD1-CD1 4Å; I333-Y367 HydrophobicContact CD1-CD2 3.72Å; I333-Y367 HydrophobicContact CD1-CE1 4.45Å; I333-Y367 HydrophobicContact CD1-CE2 4.23Å; I333-Y367 HydrophobicContact CD1-CG 3.64Å; I333-Y367 HydrophobicContact CG1-CG 4.28Å; I333-Y367 HydrophobicContact CG2-CD1 4.18Å; I333-Y367 HydrophobicContact CG2-CG 4.17Å |
| 334 | K | 95.9 | Very high | 95.2 | Very high | 55 Ų | 55 | 81.4 Ų | 81.4 | 24% | 0.239 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -102.8 | 125.7 | 174 | -51.9 | -63.5 | 169 | 159.5 | 0 | 107.2 | D312 P313 T332 T337 P340 Y341 Y342 | D312-K334 CarbonylContact C-O 3.57Å; D312-K334 WeakPolarHBondContact CA-O 3.46Å; P313-K334 WeakPolarHBondContact CD-O 3.28Å; P313-K334 VanDerWaalsContact N-O 3.13Å; P313-K334 PolarHBondContact O-N 2.91Å; T332-K334 WeakPolarHBondContact OG1-CE 3.33Å; T332-K334 PolarHBondContact OG1-NZ 3.35Å; K334-T337 HydrophobicContact CB-CG2 3.86Å; K334-P340 HydrophobicContact CB-CB 3.82Å; K334-P340 HydrophobicContact CG-CB 3.75Å; K334-Y341 WeakPolarHBondContact CD-O 3.14Å; K334-Y341 WeakPolarHBondContact CE-O 3.2Å; K334-Y341 PolarHBondContact NZ-O 3.46Å; K334-Y342 HydrophobicContact CD-CD1 4.39Å; K334-Y342 HydrophobicContact CD-CE1 4.45Å; K334-Y342 HydrophobicContact CG-CD1 4Å; K334-Y342 HydrophobicContact CG-CE1 3.62Å |
| 335 | K | 92.8 | Very high | 95.7 | Very high | 146 Ų | 146 | 77.8 Ų | 77.8 | 64% | 0.635 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -90.3 | 145.7 | -172.6 | -63.9 | -172.1 | 176.9 | 172.5 | 0 | 112.8 | D312 T337 | D312-K335 WeakPolarHBondContact OD1-CA 3.22Å; D312-K335 VanDerWaalsContact OD1-CB 3.32Å; D312-K335 WeakPolarHBondContact OD1-CB 3.5Å; K335-T337 PolarHBondContact O-N 3.45Å |
| 336 | N | 91.2 | Very high | 96 | Very high | 93 Ų | 93 | 71.3 Ų | 71.3 | 50% | 0.497 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 43.1 | 57.8 | 173.9 | -166.7 | 48 | 0 | 0 | 0 | 113.9 | L310 S311 D312 | L310-N336 WeakPolarHBondContact CB-OD1 3.18Å; L310-N336 PolarHBondContact N-OD1 3.37Å; S311-N336 CarbonylContact O-C 3.52Å; S311-N336 WeakPolarHBondContact O-CA 3.33Å; S311-N336 PolarHBondContact O-N 2.93Å; D312-N336 PolarHBondContact OD1-N 2.95Å |
| 337 | T | 93.6 | Very high | 96.2 | Very high | 33 Ų | 33 | 69.4 Ų | 69.4 | 20% | 0.202 | 34% | 0.341 | C | S | . | . | trans | -149.5 | 142.4 | 179 | -178.1 | 0 | 0 | 0 | 0 | 112.7 | S311 P313 K334 K335 N339 P340 | S311-T337 PolarHBondContact O-N 3.27Å; P313-T337 VanDerWaalsContact CD-O 3.26Å; P313-T337 WeakPolarHBondContact CD-O 3.18Å; P313-T337 HydrophobicContact CG-CG2 4.1Å; P313-T337 WeakPolarHBondContact CG-O 3.08Å; K334-T337 HydrophobicContact CB-CG2 3.86Å; K335-T337 PolarHBondContact O-N 3.45Å; T337-N339 PolarHBondContact OG1-N 3.32Å; T337-N339 PolarHBondContact OG1-O 2.87Å; T337-P340 HydrophobicContact CG2-CB 3.93Å | ||
| 338 | L | 93.1 | Very high | 96.3 | Very high | 39 Ų | 39 | 65.2 Ų | 65.2 | 20% | 0.204 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -99.3 | -1 | 169.5 | -53.2 | -178 | 0 | 0 | 0 | 112.6 | K300 N301 L302 K304 L310 P340 | K300-L338 CarbonylContact C-O 3.5Å; N301-L338 PolarHBondContact N-O 2.82Å; L302-L338 HydrophobicContact CB-CB 4.32Å; L302-L338 HydrophobicContact CB-CD2 4.47Å; L302-L338 WeakPolarHBondContact CG-O 3.33Å; L302-L338 PolarHBondContact N-O 2.94Å; L302-L338 WeakPolarHBondContact O-CD2 3.35Å; K304-L338 HydrophobicContact CB-CD1 4.28Å; K304-L338 HydrophobicContact CB-CD2 4.07Å; L310-L338 HydrophobicContact CB-CD2 3.96Å; L310-L338 HydrophobicContact CB-CG 4.1Å; L310-L338 HydrophobicContact CD1-CG 4.46Å; L310-L338 HydrophobicContact CD2-CD1 4.11Å; L310-L338 HydrophobicContact CD2-CG 4.23Å; L310-L338 HydrophobicContact CG-CG 4.5Å; L338-P340 VanDerWaalsContact C-CD 3.47Å |
| 339 | N | 95.8 | Very high | 96.2 | Very high | 91 Ų | 91 | 65.1 Ų | 65.1 | 49% | 0.487 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -130.7 | 66.2 | 179.1 | -56.9 | -67.8 | 0 | 0 | 0 | 110.7 | A299 K300 N301 T337 | A299-N339 CarbonylContact O-C 3.39Å; A299-N339 VanDerWaalsContact O-CA 3.23Å; A299-N339 WeakPolarHBondContact O-CA 3.48Å; K300-N339 WeakPolarHBondContact CA-OD1 3.14Å; K300-N339 WeakPolarHBondContact CB-OD1 3.3Å; N301-N339 PolarHBondContact N-OD1 3.02Å; T337-N339 PolarHBondContact OG1-N 3.32Å; T337-N339 PolarHBondContact OG1-O 2.87Å |
| 340 | P | 96.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.013 | 31% | 0.309 | C | S | . | . | trans | -77.4 | 127.2 | -175.2 | 30.1 | -36.7 | 0 | 0 | 0 | 113.7 | E298 A299 L302 P313 K334 T337 L338 Y342 | E298-P340 CarbonylContact C-O 3.59Å; E298-P340 WeakPolarHBondContact CA-O 3.11Å; E298-P340 WeakPolarHBondContact CB-O 3.32Å; A299-P340 HydrophobicContact CB-CG 4.01Å; A299-P340 PolarHBondContact N-O 3.3Å; A299-P340 WeakPolarHBondContact O-CD 3.28Å; L302-P340 HydrophobicContact CD1-CG 3.71Å; P313-P340 HydrophobicContact CB-CG 4.2Å; P313-P340 HydrophobicContact CG-CB 3.84Å; P313-P340 HydrophobicContact CG-CG 3.66Å; K334-P340 HydrophobicContact CB-CB 3.82Å; K334-P340 HydrophobicContact CG-CB 3.75Å; T337-P340 HydrophobicContact CG2-CB 3.93Å; L338-P340 VanDerWaalsContact C-CD 3.47Å; P340-Y342 HydrophobicContact CB-CD2 4.48Å; P340-Y342 HydrophobicContact CB-CE1 4.47Å; P340-Y342 HydrophobicContact CB-CE2 3.69Å; P340-Y342 HydrophobicContact CG-CE2 3.66Å; P340-Y342 WeakPolarHBondContact CG-OH 3.37Å | ||
| 341 | Y | 97.8 | Very high | 96 | Very high | 139 Ų | 139 | 57.6 Ų | 57.6 | 55% | 0.545 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 126.5 | 168.8 | -177.1 | -95.7 | 0 | 0 | 0 | 111.5 | E298 K334 N343 | E298-Y341 HydrophobicContact CB-CD2 4.11Å; K334-Y341 WeakPolarHBondContact CD-O 3.14Å; K334-Y341 WeakPolarHBondContact CE-O 3.2Å; K334-Y341 PolarHBondContact NZ-O 3.46Å; Y341-N343 HydrophobicContact CE1-CB 3.83Å; Y341-N343 HydrophobicContact CE2-CB 4.49Å |
| 342 | Y | 97.5 | Very high | 95.6 | Very high | 12 Ų | 12 | 59.9 Ų | 59.9 | 5% | 0.047 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | -60.1 | -177 | -59 | -85.2 | 0 | 0 | 0 | 112.4 | I296 L297 P313 Y314 V315 T331 K334 P340 E344 | I296-Y342 HydrophobicContact CG2-CD2 3.65Å; I296-Y342 HydrophobicContact CG2-CE2 4.28Å; I296-Y342 HydrophobicContact CG2-CG 4Å; L297-Y342 WeakPolarHBondContact O-CA 3.12Å; L297-Y342 PolarHBondContact O-N 2.93Å; P313-Y342 PolarHBondContact O-OH 2.7Å; Y314-Y342 WeakPolarHBondContact CA-OH 3.35Å; V315-Y342 HydrophobicContact CG2-CD2 4.46Å; V315-Y342 HydrophobicContact CG2-CE1 4.4Å; V315-Y342 HydrophobicContact CG2-CE2 3.8Å; T331-Y342 HydrophobicContact CG2-CD1 3.83Å; T331-Y342 HydrophobicContact CG2-CE1 4.27Å; T331-Y342 HydrophobicContact CG2-CG 4.22Å; T331-Y342 WeakPolarHBondContact OG1-CE1 3.32Å; K334-Y342 HydrophobicContact CD-CD1 4.39Å; K334-Y342 HydrophobicContact CD-CE1 4.45Å; K334-Y342 HydrophobicContact CG-CD1 4Å; K334-Y342 HydrophobicContact CG-CE1 3.62Å; P340-Y342 HydrophobicContact CB-CD2 4.48Å; P340-Y342 HydrophobicContact CB-CE1 4.47Å; P340-Y342 HydrophobicContact CB-CE2 3.69Å; P340-Y342 HydrophobicContact CG-CE2 3.66Å; P340-Y342 WeakPolarHBondContact CG-OH 3.37Å; Y342-E344 VanDerWaalsContact C-N 3.3Å; Y342-E344 PolarHBondContact O-N 2.72Å |
| 343 | N | 97 | Very high | 95.3 | Very high | 88 Ų | 88 | 63.1 Ų | 63.1 | 47% | 0.471 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 48.8 | 45 | -166.3 | -163.6 | 18.4 | 0 | 0 | 0 | 113.9 | I296 L297 Y341 | I296-N343 CarbonylContact O-C 3.47Å; I296-N343 WeakPolarHBondContact O-CA 3.38Å; I296-N343 PolarHBondContact O-N 2.9Å; L297-N343 PolarHBondContact O-N 3.36Å; Y341-N343 HydrophobicContact CE1-CB 3.83Å; Y341-N343 HydrophobicContact CE2-CB 4.49Å |
| 344 | E | 98.1 | Very high | 95 | Very high | 36 Ų | 36 | 64 Ų | 64 | 17% | 0.168 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 126.3 | -175.1 | -69.7 | -177.4 | -127.6 | 0 | 0 | 111.9 | V295 I296 T331 T332 Y342 F346 | V295-E344 CarbonylContact C-O 3.58Å; V295-E344 WeakPolarHBondContact CA-O 3.39Å; I296-E344 PolarHBondContact N-O 3.2Å; I296-E344 PolarHBondContact O-N 3.24Å; T331-E344 WeakPolarHBondContact CA-OE2 3.3Å; T331-E344 WeakPolarHBondContact CB-OE1 3.35Å; T331-E344 HydrophobicContact CG2-CB 4.31Å; T332-E344 WeakPolarHBondContact CB-OE1 3.46Å; T332-E344 PolarHBondContact N-OE1 2.92Å; T332-E344 PolarHBondContact N-OE2 3.42Å; T332-E344 PolarHBondContact OG1-OE1 2.85Å; Y342-E344 VanDerWaalsContact C-N 3.3Å; Y342-E344 PolarHBondContact O-N 2.72Å; E344-F346 HydrophobicContact CB-CE2 3.65Å; E344-F346 HydrophobicContact CB-CZ 3.66Å; E344-F346 WeakPolarHBondContact O-CD2 3.47Å; E344-F346 VanDerWaalsContact O-CE2 3.32Å; E344-F346 WeakPolarHBondContact O-CE2 3.49Å |
| 345 | S | 97.6 | Very high | 94.8 | Very high | 78 Ų | 78 | 61.4 Ų | 61.4 | 55% | 0.545 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 126.4 | -171.7 | -175.4 | 0 | 0 | 0 | 0 | 113.1 | ||
| 346 | F | 98 | Very high | 94.6 | Very high | 24 Ų | 24 | 60.3 Ų | 60.3 | 11% | 0.105 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 128.4 | -174.7 | -58.3 | -71.7 | 0 | 0 | 0 | 110.8 | T293 V294 I296 I317 K329 K330 T331 E344 F348 | T293-F346 CarbonylContact C-O 3.54Å; T293-F346 WeakPolarHBondContact CA-O 3.17Å; V294-F346 PolarHBondContact N-O 2.96Å; V294-F346 PolarHBondContact O-N 3.07Å; I296-F346 HydrophobicContact CB-CE2 4.49Å; I296-F346 HydrophobicContact CG1-CD2 4.2Å; I296-F346 HydrophobicContact CG1-CE2 3.95Å; I317-F346 HydrophobicContact CD1-CB 4.15Å; I317-F346 HydrophobicContact CD1-CD2 3.31Å; I317-F346 HydrophobicContact CD1-CE2 3.89Å; I317-F346 HydrophobicContact CD1-CG 3.86Å; K329-F346 HydrophobicContact CB-CD1 3.91Å; K329-F346 HydrophobicContact CB-CE1 4.4Å; K329-F346 HydrophobicContact CB-CG 4.36Å; K329-F346 HydrophobicContact CD-CB 3.76Å; K329-F346 HydrophobicContact CD-CD1 3.87Å; K329-F346 HydrophobicContact CD-CG 4.19Å; K329-F346 HydrophobicContact CG-CD1 4.4Å; K330-F346 WeakPolarHBondContact O-CE1 3.27Å; K330-F346 WeakPolarHBondContact O-CZ 3.16Å; T331-F346 HydrophobicContact CG2-CE2 3.84Å; T331-F346 HydrophobicContact CG2-CZ 3.87Å; E344-F346 HydrophobicContact CB-CE2 3.65Å; E344-F346 HydrophobicContact CB-CZ 3.66Å; E344-F346 WeakPolarHBondContact O-CD2 3.47Å; E344-F346 VanDerWaalsContact O-CE2 3.32Å; E344-F346 WeakPolarHBondContact O-CE2 3.49Å; F346-F348 HydrophobicContact CB-CE2 4.31Å |
| 347 | S | 96.6 | Very high | 94.6 | Very high | 45 Ų | 45 | 61.6 Ų | 61.6 | 32% | 0.315 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 138.8 | 178.5 | -65.7 | 0 | 0 | 0 | 0 | 112.7 | K291 L292 T293 K329 | K291-S347 WeakPolarHBondContact CE-OG 3.49Å; L292-S347 CarbonylContact O-C 3.55Å; L292-S347 WeakPolarHBondContact O-CA 3.34Å; T293-S347 PolarHBondContact OG1-OG 3.07Å; K329-S347 WeakPolarHBondContact CE-O 3.26Å |
| 348 | F | 96.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.009 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 139 | 175.9 | -59.2 | -92 | 0 | 0 | 0 | 109.7 | L292 V294 I317 L319 K327 K329 F346 V350 I360 | L292-F348 HydrophobicContact CB-CB 4.5Å; L292-F348 PolarHBondContact N-O 2.59Å; L292-F348 PolarHBondContact O-N 2.79Å; V294-F348 HydrophobicContact CG2-CD2 4.25Å; V294-F348 HydrophobicContact CG2-CE2 4.06Å; I317-F348 HydrophobicContact CB-CZ 4.23Å; I317-F348 HydrophobicContact CG2-CE2 3.99Å; I317-F348 HydrophobicContact CG2-CZ 3.71Å; L319-F348 HydrophobicContact CB-CD1 3.88Å; L319-F348 HydrophobicContact CB-CE1 3.97Å; L319-F348 HydrophobicContact CD2-CB 4.4Å; L319-F348 HydrophobicContact CD2-CD1 4.15Å; K327-F348 HydrophobicContact CB-CD1 3.93Å; K327-F348 HydrophobicContact CB-CE1 4.01Å; K327-F348 HydrophobicContact CD-CD1 4.47Å; K329-F348 HydrophobicContact CB-CZ 4.39Å; K329-F348 HydrophobicContact CD-CE1 4.01Å; K329-F348 HydrophobicContact CD-CE2 4.29Å; K329-F348 HydrophobicContact CD-CZ 3.81Å; K329-F348 HydrophobicContact CG-CE1 4.24Å; K329-F348 HydrophobicContact CG-CZ 4.17Å; F346-F348 HydrophobicContact CB-CE2 4.31Å; F348-V350 HydrophobicContact CB-CG2 4.4Å; F348-I360 HydrophobicContact CD2-CD1 4.36Å; F348-I360 HydrophobicContact CE2-CD1 4.35Å |
| 349 | E | 95.4 | Very high | 94.7 | Very high | 134 Ų | 134 | 58.9 Ų | 58.9 | 63% | 0.626 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 122 | 164.2 | -56.8 | 99.9 | 173.2 | 0 | 0 | 110.2 | G290 K327 | G290-E349 CarbonylContact O-C 3.56Å; G290-E349 WeakPolarHBondContact O-CA 3.29Å; K327-E349 IonicContact NZ-OE2 3.93Å; K327-E349 PolarHBondContact NZ-OE2 3.29Å |
| 350 | V | 94.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | trans | -140.8 | 105.7 | 174.6 | -176.7 | 0 | 0 | 0 | 0 | 108.1 | Y285 G290 L292 L319 F348 Q354 I355 V358 | Y285-V350 WeakPolarHBondContact CE2-O 3.45Å; Y285-V350 PolarHBondContact OH-O 3Å; G290-V350 CarbonylContact C-O 3.6Å; G290-V350 WeakPolarHBondContact CA-O 3.31Å; G290-V350 CarbonylContact O-C 3.44Å; G290-V350 PolarHBondContact O-N 2.72Å; G290-V350 VanDerWaalsContact O-O 3.05Å; L292-V350 HydrophobicContact CB-CG2 4.32Å; L292-V350 HydrophobicContact CD2-CG2 4.28Å; L319-V350 HydrophobicContact CD1-CG2 3.98Å; L319-V350 HydrophobicContact CD2-CG2 4.1Å; F348-V350 HydrophobicContact CB-CG2 4.4Å; V350-Q354 HydrophobicContact CG1-CB 4.3Å; V350-I355 HydrophobicContact CB-CD1 4.15Å; V350-I355 HydrophobicContact CG1-CB 4.39Å; V350-I355 HydrophobicContact CG1-CD1 3.65Å; V350-V358 HydrophobicContact CG1-CG1 3.93Å; V350-V358 HydrophobicContact CG1-CG2 3.89Å | ||
| 351 | P | 94.4 | Very high | 94.7 | Very high | 52 Ų | 52 | 54.7 Ų | 54.7 | 34% | 0.338 | 27% | 0.269 | S | S | . | . | trans | -57.5 | 151.8 | 173.3 | -24.1 | 34.6 | 0 | 0 | 0 | 112.1 | E353 Q354 I355 | P351-E353 VanDerWaalsContact C-N 3.26Å; P351-E353 VanDerWaalsContact CB-OE2 3.23Å; P351-E353 WeakPolarHBondContact CB-OE2 3.41Å; P351-E353 PolarHBondContact O-N 3.42Å; P351-Q354 HydrophobicContact CB-CG 4.35Å; P351-Q354 WeakPolarHBondContact O-CA 3.02Å; P351-Q354 WeakPolarHBondContact O-CB 3.41Å; P351-Q354 PolarHBondContact O-N 2.72Å; P351-I355 PolarHBondContact O-N 2.83Å | ||
| 352 | F | 90.7 | Very high | 94.8 | Very high | 56 Ų | 56 | 48.1 Ų | 48.1 | 25% | 0.246 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.3 | -34 | -172.9 | -178.9 | -118.3 | 0 | 0 | 0 | 112.3 | V109 Y285 P287 Q354 I355 | V109-F352 HydrophobicContact CG1-CZ 4.31Å; V109-F352 HydrophobicContact CG2-CE1 4.08Å; V109-F352 HydrophobicContact CG2-CZ 3.76Å; Y285-F352 AromaticContact CE1-CD2 3.95Å; Y285-F352 HydrophobicContact CE1-CD2 3.95Å; Y285-F352 WeakPolarHBondContact OH-CA 3.25Å; Y285-F352 PolarHBondContact OH-N 2.82Å; P287-F352 HydrophobicContact CB-CD2 4.42Å; F352-Q354 PolarHBondContact O-N 2.89Å; F352-I355 HydrophobicContact CD2-CG2 3.81Å; F352-I355 HydrophobicContact CE2-CG2 3.96Å; F352-I355 VanDerWaalsContact O-CG2 3.31Å; F352-I355 WeakPolarHBondContact O-CG2 3.48Å; F352-I355 PolarHBondContact O-N 3.48Å; F352-I355 VanDerWaalsContact O-N 3.15Å |
| 353 | E | 91.2 | Very high | 94.8 | Very high | 141 Ų | 141 | 47.8 Ų | 47.8 | 66% | 0.659 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -64.1 | -14.1 | 176.4 | -51.1 | 67.9 | -143.7 | 0 | 0 | 112.6 | P351 | P351-E353 VanDerWaalsContact C-N 3.26Å; P351-E353 VanDerWaalsContact CB-OE2 3.23Å; P351-E353 WeakPolarHBondContact CB-OE2 3.41Å; P351-E353 PolarHBondContact O-N 3.42Å |
| 354 | Q | 90.6 | Very high | 94.8 | Very high | 75 Ų | 75 | 43.6 Ų | 43.6 | 35% | 0.35 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -111.4 | -12.7 | -179.8 | -56.4 | -169 | 25.2 | 0 | 0 | 113.4 | V350 P351 F352 Q356 K357 V358 | V350-Q354 HydrophobicContact CG1-CB 4.3Å; P351-Q354 HydrophobicContact CB-CG 4.35Å; P351-Q354 WeakPolarHBondContact O-CA 3.02Å; P351-Q354 WeakPolarHBondContact O-CB 3.41Å; P351-Q354 PolarHBondContact O-N 2.72Å; F352-Q354 PolarHBondContact O-N 2.89Å; Q354-Q356 PolarHBondContact O-N 2.98Å; Q354-K357 PolarHBondContact O-N 2.83Å; Q354-V358 PolarHBondContact O-N 3.1Å |
| 355 | I | 90.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.5 | -29.7 | -173.1 | -158.1 | 59.6 | 0 | 0 | 0 | 112.6 | Y285 L292 V350 P351 F352 K357 V358 W393 L397 | Y285-I355 HydrophobicContact CD1-CG1 4.45Å; Y285-I355 HydrophobicContact CD2-CD1 3.82Å; Y285-I355 HydrophobicContact CD2-CG1 4.36Å; Y285-I355 HydrophobicContact CE1-CG1 4.25Å; Y285-I355 HydrophobicContact CE2-CD1 3.63Å; Y285-I355 HydrophobicContact CE2-CG1 4.16Å; Y285-I355 HydrophobicContact CG-CD1 4.39Å; L292-I355 HydrophobicContact CD2-CD1 4.38Å; V350-I355 HydrophobicContact CB-CD1 4.15Å; V350-I355 HydrophobicContact CG1-CB 4.39Å; V350-I355 HydrophobicContact CG1-CD1 3.65Å; P351-I355 PolarHBondContact O-N 2.83Å; F352-I355 HydrophobicContact CD2-CG2 3.81Å; F352-I355 HydrophobicContact CE2-CG2 3.96Å; F352-I355 VanDerWaalsContact O-CG2 3.31Å; F352-I355 WeakPolarHBondContact O-CG2 3.48Å; F352-I355 PolarHBondContact O-N 3.48Å; F352-I355 VanDerWaalsContact O-N 3.15Å; I355-K357 VanDerWaalsContact C-N 3.28Å; I355-K357 PolarHBondContact O-N 2.88Å; I355-V358 HydrophobicContact CD1-CG2 4.15Å; I355-W393 HydrophobicContact CD1-CH2 4.11Å; I355-W393 HydrophobicContact CD1-CZ2 3.76Å; I355-W393 HydrophobicContact CG1-CZ2 3.98Å; I355-W393 WeakPolarHBondContact O-CZ2 3.48Å; I355-L397 HydrophobicContact CG1-CD2 3.85Å; I355-L397 HydrophobicContact CG2-CD2 4Å |
| 356 | Q | 89.1 | Confident | 94.6 | Very high | 124 Ų | 124 | 38.7 Ų | 38.7 | 58% | 0.579 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -4 | 175.5 | -63.6 | -177 | -4.2 | 0 | 0 | 114.1 | Q354 Y383 | Q354-Q356 PolarHBondContact O-N 2.98Å; Q356-Y383 WeakPolarHBondContact O-CD2 3.5Å |
| 357 | K | 91 | Very high | 94.3 | Very high | 120 Ų | 120 | 41.4 Ų | 41.4 | 52% | 0.522 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | -5.4 | -175.6 | -61.9 | 173 | -175.2 | 161.9 | 0 | 113.3 | Q354 I355 | Q354-K357 PolarHBondContact O-N 2.83Å; I355-K357 VanDerWaalsContact C-N 3.28Å; I355-K357 PolarHBondContact O-N 2.88Å |
| 358 | V | 94.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 160.6 | 175 | -62.2 | 0 | 0 | 0 | 0 | 111.5 | L319 M320 Q321 V350 Q354 I355 Y383 W393 | L319-V358 HydrophobicContact CD1-CB 3.86Å; L319-V358 HydrophobicContact CD1-CG1 4.05Å; L319-V358 HydrophobicContact CD1-CG2 4.31Å; M320-V358 CarbonylContact O-C 3.44Å; M320-V358 VanDerWaalsContact O-CA 3.26Å; M320-V358 WeakPolarHBondContact O-CA 3.16Å; M320-V358 WeakPolarHBondContact O-CB 3.49Å; Q321-V358 HydrophobicContact CB-CG1 4.37Å; Q321-V358 HydrophobicContact CG-CG1 4.37Å; V350-V358 HydrophobicContact CG1-CG1 3.93Å; V350-V358 HydrophobicContact CG1-CG2 3.89Å; Q354-V358 PolarHBondContact O-N 3.1Å; I355-V358 HydrophobicContact CD1-CG2 4.15Å; V358-Y383 WeakPolarHBondContact O-CB 3.18Å; V358-Y383 PolarHBondContact O-N 3.12Å; V358-W393 HydrophobicContact CG2-CH2 4.01Å; V358-W393 HydrophobicContact CG2-CZ2 3.91Å |
| 359 | Q | 94.8 | Very high | 93 | Very high | 13 Ų | 13 | 48.3 Ų | 48.3 | 6% | 0.061 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 143.3 | 169.3 | -49.3 | 160.9 | -58.1 | 0 | 0 | 107.8 | M320 F380 V381 Y383 | M320-Q359 HydrophobicContact CB-CB 4.15Å; M320-Q359 PolarHBondContact N-O 2.88Å; M320-Q359 PolarHBondContact O-N 3.39Å; Q359-F380 HydrophobicContact CB-CD2 4.48Å; Q359-V381 CarbonylContact C-O 3.57Å; Q359-V381 VanDerWaalsContact CA-O 3.29Å; Q359-V381 WeakPolarHBondContact CA-O 3.47Å; Q359-Y383 WeakPolarHBondContact CG-O 3.3Å; Q359-Y383 PolarHBondContact NE2-O 2.94Å |
| 360 | I | 96.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 112.4 | 167.1 | -63.4 | -66 | 0 | 0 | 0 | 107 | L292 V294 I317 L319 F348 V362 F380 V381 W393 | L292-I360 HydrophobicContact CD2-CD1 3.88Å; L292-I360 HydrophobicContact CD2-CG1 3.86Å; V294-I360 HydrophobicContact CG2-CG2 4.39Å; I317-I360 HydrophobicContact CG2-CG2 3.62Å; L319-I360 HydrophobicContact CB-CD1 4.21Å; L319-I360 HydrophobicContact CD1-CD1 3.67Å; F348-I360 HydrophobicContact CD2-CD1 4.36Å; F348-I360 HydrophobicContact CE2-CD1 4.35Å; I360-V362 HydrophobicContact CG2-CG2 3.98Å; I360-F380 VanDerWaalsContact O-CA 3.32Å; I360-F380 WeakPolarHBondContact O-CA 3.26Å; I360-V381 HydrophobicContact CB-CG2 3.78Å; I360-V381 HydrophobicContact CG2-CG2 4.4Å; I360-V381 PolarHBondContact N-O 3.33Å; I360-V381 PolarHBondContact O-N 2.81Å; I360-W393 HydrophobicContact CG1-CH2 4.24Å; I360-W393 HydrophobicContact CG1-CZ3 3.97Å |
| 361 | V | 96.9 | Very high | 91.4 | Very high | 6 Ų | 6 | 52.9 Ų | 52.9 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 118 | 173.4 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | I317 H318 M320 K378 F380 L420 | I317-V361 WeakPolarHBondContact CA-O 3.35Å; H318-V361 HydrophobicContact CB-CB 4.39Å; H318-V361 PolarHBondContact N-O 3.47Å; H318-V361 PolarHBondContact O-N 2.9Å; M320-V361 HydrophobicContact CG-CB 4.35Å; M320-V361 HydrophobicContact CG-CG2 3.52Å; V361-K378 HydrophobicContact CG1-CD 3.76Å; V361-K378 HydrophobicContact CG1-CG 3.76Å; V361-F380 HydrophobicContact CB-CB 4.47Å; V361-F380 HydrophobicContact CG2-CB 3.87Å; V361-L420 HydrophobicContact CG1-CD1 4.45Å; V361-L420 HydrophobicContact CG2-CD1 3.67Å; V361-L420 HydrophobicContact CG2-CD2 4.28Å |
| 362 | V | 97.9 | Very high | 91 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 128.8 | 175.4 | -171.8 | 0 | 0 | 0 | 0 | 107.3 | I279 F281 I296 V315 I360 K378 V379 | I279-V362 HydrophobicContact CD1-CG1 3.81Å; F281-V362 HydrophobicContact CE1-CG2 4.21Å; F281-V362 HydrophobicContact CZ-CG2 4.23Å; I296-V362 HydrophobicContact CD1-CG1 4.19Å; V315-V362 HydrophobicContact CG1-CG1 3.42Å; V315-V362 VanDerWaalsContact CG1-CG1 3.42Å; I360-V362 HydrophobicContact CG2-CG2 3.98Å; V362-K378 WeakPolarHBondContact O-CA 3.48Å; V362-V379 HydrophobicContact CB-CG1 3.95Å; V362-V379 PolarHBondContact N-O 3.07Å; V362-V379 PolarHBondContact O-N 3.07Å; V362-V379 VanDerWaalsContact O-O 3.06Å |
| 363 | T | 97.6 | Very high | 90.9 | Very high | 5 Ų | 5 | 56.7 Ų | 56.7 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 123.7 | -178.2 | -40.4 | 0 | 0 | 0 | 0 | 108.7 | V315 K316 L365 K378 | V315-T363 CarbonylContact C-O 3.47Å; V315-T363 WeakPolarHBondContact CA-O 3.34Å; K316-T363 PolarHBondContact N-O 3.48Å; K316-T363 PolarHBondContact O-N 3.02Å; T363-L365 HydrophobicContact CG2-CD1 3.78Å; T363-L365 HydrophobicContact CG2-CG 4.21Å; T363-K378 HydrophobicContact CG2-CB 4.23Å; T363-K378 HydrophobicContact CG2-CG 4.18Å |
| 364 | V | 97.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 129.4 | 172.1 | -171.9 | 0 | 0 | 0 | 0 | 107.8 | I279 L302 P313 V315 I376 G377 L410 | I279-V364 HydrophobicContact CD1-CG2 3.74Å; L302-V364 HydrophobicContact CD1-CG1 4.01Å; L302-V364 HydrophobicContact CD2-CG1 4.07Å; P313-V364 HydrophobicContact CB-CG1 4.39Å; V315-V364 HydrophobicContact CG2-CG2 4.25Å; V364-I376 HydrophobicContact CG1-CB 4.36Å; V364-I376 HydrophobicContact CG1-CD1 4.31Å; V364-I376 PolarHBondContact O-N 2.95Å; V364-G377 PolarHBondContact N-O 3.3Å; V364-G377 PolarHBondContact O-N 3.23Å; V364-L410 HydrophobicContact CB-CD1 4.04Å; V364-L410 HydrophobicContact CG2-CD1 3.76Å; V364-L410 HydrophobicContact CG2-CD2 3.83Å; V364-L410 HydrophobicContact CG2-CG 4.46Å |
| 365 | L | 96.4 | Very high | 90.9 | Very high | 10 Ų | 10 | 50.6 Ų | 50.6 | 5% | 0.052 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 153.6 | 179.6 | -63.9 | 102.2 | 0 | 0 | 0 | 110.4 | P313 Y314 K316 T363 D374 A375 | P313-L365 CarbonylContact C-O 3.47Å; P313-L365 VanDerWaalsContact CA-O 3.31Å; P313-L365 WeakPolarHBondContact CA-O 3.3Å; Y314-L365 HydrophobicContact CD1-CB 4.42Å; Y314-L365 WeakPolarHBondContact CD1-O 3.18Å; Y314-L365 HydrophobicContact CE1-CB 3.97Å; Y314-L365 PolarHBondContact N-O 2.98Å; Y314-L365 PolarHBondContact O-N 3.48Å; K316-L365 HydrophobicContact CB-CD1 4.09Å; K316-L365 HydrophobicContact CD-CD1 3.45Å; K316-L365 VanDerWaalsContact CD-CD1 3.45Å; K316-L365 HydrophobicContact CG-CD1 3.74Å; T363-L365 HydrophobicContact CG2-CD1 3.78Å; T363-L365 HydrophobicContact CG2-CG 4.21Å; L365-D374 CarbonylContact C-O 3.17Å; L365-D374 WeakPolarHBondContact CA-O 3.28Å; L365-D374 WeakPolarHBondContact CB-O 3.12Å; L365-A375 HydrophobicContact CD2-CB 4.06Å; L365-A375 HydrophobicContact CG-CB 4.26Å |
| 366 | D | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -81.2 | 156.3 | 166.4 | -141.6 | -34 | 0 | 0 | 0 | 110.9 | M305 S311 D312 Y314 N373 D374 I376 | M305-D366 HydrophobicContact CB-CB 4.34Å; M305-D366 VanDerWaalsContact CB-OD2 3.31Å; M305-D366 WeakPolarHBondContact CB-OD2 3.37Å; M305-D366 HydrophobicContact CG-CB 4.14Å; M305-D366 WeakPolarHBondContact CG-OD2 3.3Å; S311-D366 VanDerWaalsContact CA-OD2 3.29Å; S311-D366 WeakPolarHBondContact CA-OD2 3.07Å; S311-D366 WeakPolarHBondContact CB-OD2 3.27Å; S311-D366 PolarHBondContact OG-OD2 2.66Å; D312-D366 WeakPolarHBondContact CA-OD1 3.28Å; D312-D366 PolarHBondContact N-OD1 2.91Å; Y314-D366 WeakPolarHBondContact CE1-O 3.42Å; D366-N373 WeakPolarHBondContact O-CB 3.47Å; D366-N373 PolarHBondContact O-OD1 3.45Å; D366-D374 PolarHBondContact N-O 3Å; D366-I376 HydrophobicContact CB-CD1 4.2Å; D366-I376 HydrophobicContact CB-CG1 4.28Å | ||
| 367 | Y | 92.1 | Very high | 91.4 | Very high | 81 Ų | 81 | 44.9 Ų | 44.9 | 32% | 0.318 | 23% | 0.233 | S | C | . | . | trans | -112.1 | 87.6 | 177.7 | 176.3 | -103.7 | 0 | 0 | 0 | 111.8 | D312 Y314 I333 K369 N373 | D312-Y367 HydrophobicContact CB-CD1 4.49Å; D312-Y367 VanDerWaalsContact O-CB 3.27Å; D312-Y367 WeakPolarHBondContact O-CB 3.45Å; D312-Y367 PolarHBondContact O-N 2.91Å; Y314-Y367 HydrophobicContact CE1-CD2 4.45Å; I333-Y367 HydrophobicContact CD1-CD1 4Å; I333-Y367 HydrophobicContact CD1-CD2 3.72Å; I333-Y367 HydrophobicContact CD1-CE1 4.45Å; I333-Y367 HydrophobicContact CD1-CE2 4.23Å; I333-Y367 HydrophobicContact CD1-CG 3.64Å; I333-Y367 HydrophobicContact CG1-CG 4.28Å; I333-Y367 HydrophobicContact CG2-CD1 4.18Å; I333-Y367 HydrophobicContact CG2-CG 4.17Å; Y367-K369 HydrophobicContact CE1-CG 4.06Å; Y367-K369 PolarHBondContact O-N 3.32Å; Y367-N373 VanDerWaalsContact CD2-OD1 3.27Å; Y367-N373 WeakPolarHBondContact CD2-OD1 3.49Å | ||
| 368 | D | 87.6 | Confident | 91.6 | Very high | 42 Ų | 42 | 39.3 Ų | 39.3 | 23% | 0.225 | 21% | 0.209 | C | C | . | . | trans | -67.5 | 122 | 170.6 | -55.1 | -86.2 | 0 | 0 | 0 | 111.6 | I370 N373 D374 | D368-I370 PolarHBondContact O-N 2.88Å; D368-N373 WeakPolarHBondContact OD2-CA 3.39Å; D368-N373 PolarHBondContact OD2-N 2.94Å; D368-D374 PolarHBondContact OD2-N 3.34Å | ||
| 369 | K | 79.3 | Confident | 91.7 | Very high | 151 Ų | 151 | 39.3 Ų | 39.3 | 66% | 0.657 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -67 | -26.7 | 172.6 | -64.9 | 165.2 | -167.2 | 140.9 | 0 | 112.3 | D312 Y367 | D312-K369 IonicContact OD2-NZ 3.26Å; Y367-K369 HydrophobicContact CE1-CG 4.06Å; Y367-K369 PolarHBondContact O-N 3.32Å |
| 370 | I | 78.4 | Confident | 91.7 | Very high | 162 Ų | 162 | 39.1 Ų | 39.1 | 83% | 0.831 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -136.9 | 116.8 | -179.2 | -58.7 | 176.4 | 0 | 0 | 0 | 106.9 | D368 | D368-I370 PolarHBondContact O-N 2.88Š|
| 371 | G | 77.8 | Confident | 91.7 | Very high | 70 Ų | 70 | 39.2 Ų | 39.2 | 72% | 0.722 | 21% | 0.208 | S | C | * | . | S | Bend | trans | 113.5 | -145.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 372 | K | 85.8 | Confident | 91.4 | Very high | 143 Ų | 143 | 39 Ų | 39 | 62% | 0.622 | 21% | 0.208 | S | C | * | . | trans | -126 | 101.8 | -172.4 | 167.5 | -121.5 | 157.3 | -147.4 | 0 | 110.2 | D374 | K372-D374 IonicContact NZ-OD1 2.72Å; K372-D374 PolarHBondContact NZ-OD1 2.95Å; K372-D374 PolarHBondContact O-N 3.38Å | ||
| 373 | N | 88.9 | Confident | 90.9 | Very high | 44 Ų | 44 | 44.6 Ų | 44.6 | 24% | 0.235 | 23% | 0.23 | C | C | . | . | trans | -16.9 | 101.2 | 162.1 | -60.5 | -107.8 | 0 | 0 | 0 | 114.1 | Y314 D366 Y367 D368 | Y314-N373 WeakPolarHBondContact CE1-OD1 3.49Å; Y314-N373 VanDerWaalsContact OH-CG 3.32Å; Y314-N373 PolarHBondContact OH-OD1 3.46Å; D366-N373 WeakPolarHBondContact O-CB 3.47Å; D366-N373 PolarHBondContact O-OD1 3.45Å; Y367-N373 VanDerWaalsContact CD2-OD1 3.27Å; Y367-N373 WeakPolarHBondContact CD2-OD1 3.49Å; D368-N373 WeakPolarHBondContact OD2-CA 3.39Å; D368-N373 PolarHBondContact OD2-N 2.94Å | ||
| 374 | D | 88.9 | Confident | 90.3 | Very high | 66 Ų | 66 | 46.7 Ų | 46.7 | 35% | 0.353 | 24% | 0.241 | S | C | . | . | trans | -82.9 | 154.8 | 178.8 | -84.7 | -27.1 | 0 | 0 | 0 | 113.5 | M305 L365 D366 D368 K372 | M305-D374 HydrophobicContact CE-CB 4.03Å; L365-D374 CarbonylContact C-O 3.17Å; L365-D374 WeakPolarHBondContact CA-O 3.28Å; L365-D374 WeakPolarHBondContact CB-O 3.12Å; D366-D374 PolarHBondContact N-O 3Å; D368-D374 PolarHBondContact OD2-N 3.34Å; K372-D374 IonicContact NZ-OD1 2.72Å; K372-D374 PolarHBondContact NZ-OD1 2.95Å; K372-D374 PolarHBondContact O-N 3.38Å | ||
| 375 | A | 93.2 | Very high | 89.9 | Confident | 23 Ų | 23 | 47 Ų | 47 | 19% | 0.19 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 116.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | L365 E413 | L365-A375 HydrophobicContact CD2-CB 4.06Å; L365-A375 HydrophobicContact CG-CB 4.26Å; A375-E413 HydrophobicContact CB-CB 4.08Å; A375-E413 HydrophobicContact CB-CG 4.45Å; A375-E413 VanDerWaalsContact CB-OE2 3.27Å; A375-E413 WeakPolarHBondContact CB-OE2 3.44Å |
| 376 | I | 93.6 | Very high | 89.4 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | -41 | 174.2 | -60 | 178 | 0 | 0 | 0 | 109.2 | L276 L302 K303 M305 P313 V364 D366 | L276-I376 WeakPolarHBondContact CD2-O 3.37Å; L276-I376 WeakPolarHBondContact O-CG2 3.47Å; L302-I376 HydrophobicContact CB-CG2 4.35Å; L302-I376 HydrophobicContact CD1-CD1 4.49Å; L302-I376 HydrophobicContact CD2-CG2 4.27Å; K303-I376 HydrophobicContact CB-CG2 4.17Å; M305-I376 HydrophobicContact CG-CD1 4.45Å; M305-I376 HydrophobicContact CG-CG1 3.87Å; M305-I376 HydrophobicContact SD-CG1 4.4Å; P313-I376 HydrophobicContact CB-CD1 4.34Å; V364-I376 HydrophobicContact CG1-CB 4.36Å; V364-I376 HydrophobicContact CG1-CD1 4.31Å; V364-I376 PolarHBondContact O-N 2.95Å; D366-I376 HydrophobicContact CB-CD1 4.2Å; D366-I376 HydrophobicContact CB-CG1 4.28Å |
| 377 | G | 94.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.6 | 172.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | V364 Q411 | V364-G377 PolarHBondContact N-O 3.3Å; V364-G377 PolarHBondContact O-N 3.23Å; G377-Q411 WeakPolarHBondContact CA-O 3.43Å |
| 378 | K | 95.6 | Very high | 89.3 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.009 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 152.1 | -172 | -164.4 | -179.1 | -67.5 | 162.9 | 0 | 111.1 | V361 V362 T363 Q411 E413 V416 D417 | V361-K378 HydrophobicContact CG1-CD 3.76Å; V361-K378 HydrophobicContact CG1-CG 3.76Å; V362-K378 WeakPolarHBondContact O-CA 3.48Å; T363-K378 HydrophobicContact CG2-CB 4.23Å; T363-K378 HydrophobicContact CG2-CG 4.18Å; K378-Q411 PolarHBondContact N-O 3.05Å; K378-Q411 PolarHBondContact O-N 2.8Å; K378-E413 WeakPolarHBondContact CE-OE1 3.37Å; K378-E413 VanDerWaalsContact NZ-CG 3.3Å; K378-E413 PolarHBondContact NZ-O 3.16Å; K378-E413 IonicContact NZ-OE1 2.73Å; K378-E413 PolarHBondContact NZ-OE1 3.3Å; K378-V416 HydrophobicContact CB-CB 4.2Å; K378-V416 HydrophobicContact CB-CG1 4.33Å; K378-V416 HydrophobicContact CB-CG2 4.25Å; K378-V416 HydrophobicContact CD-CB 3.85Å; K378-V416 HydrophobicContact CD-CG1 3.52Å; K378-V416 HydrophobicContact CG-CB 4.17Å; K378-V416 HydrophobicContact CG-CG1 3.79Å; K378-D417 IonicContact NZ-OD1 2.74Å; K378-D417 PolarHBondContact NZ-OD1 3.37Å; K378-D417 IonicContact NZ-OD2 2.64Å; K378-D417 PolarHBondContact NZ-OD2 3.32Å |
| 379 | V | 96.2 | Very high | 89.6 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 156.6 | 168.6 | 64.1 | 0 | 0 | 0 | 0 | 109.4 | I279 F281 V362 E389 H408 | I279-V379 HydrophobicContact CG2-CG1 4.17Å; F281-V379 HydrophobicContact CE1-CG1 4.26Å; V362-V379 HydrophobicContact CB-CG1 3.95Å; V362-V379 PolarHBondContact N-O 3.07Å; V362-V379 PolarHBondContact O-N 3.07Å; V362-V379 VanDerWaalsContact O-O 3.06Å; V379-E389 HydrophobicContact CG2-CG 3.47Å; V379-E389 VanDerWaalsContact CG2-CG 3.47Å; V379-E389 WeakPolarHBondContact CG2-OE1 3.31Å; V379-H408 HydrophobicContact CG1-CB 4.43Å; V379-H408 HydrophobicContact CG2-CB 4.13Å |
| 380 | F | 96.1 | Very high | 90.3 | Very high | 9 Ų | 9 | 47.2 Ų | 47.2 | 4% | 0.039 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 135.1 | 174.7 | 79.5 | -75.4 | 0 | 0 | 0 | 112.7 | Q359 I360 V361 E389 V416 M419 L420 | Q359-F380 HydrophobicContact CB-CD2 4.48Å; I360-F380 VanDerWaalsContact O-CA 3.32Å; I360-F380 WeakPolarHBondContact O-CA 3.26Å; V361-F380 HydrophobicContact CB-CB 4.47Å; V361-F380 HydrophobicContact CG2-CB 3.87Å; F380-E389 WeakPolarHBondContact O-CB 3.45Å; F380-E389 WeakPolarHBondContact O-CG 3.46Å; F380-V416 HydrophobicContact CD1-CG1 3.77Å; F380-V416 HydrophobicContact CE1-CG1 4.5Å; F380-M419 HydrophobicContact CE1-CB 4.11Å; F380-M419 HydrophobicContact CE1-CE 3.93Å; F380-M419 HydrophobicContact CE1-SD 4.18Å; F380-M419 HydrophobicContact CZ-CB 4.38Å; F380-M419 HydrophobicContact CZ-CE 4.15Å; F380-L420 HydrophobicContact CB-CD2 4.34Å; F380-L420 HydrophobicContact CD1-CD2 4.39Å; F380-L420 HydrophobicContact CD2-CD2 3.69Å; F380-L420 HydrophobicContact CE2-CD2 4.05Å; F380-L420 HydrophobicContact CG-CD2 3.88Å; F380-L420 HydrophobicContact CG-CG 4.5Å |
| 381 | V | 95.6 | Very high | 91 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 152.9 | 176.2 | -62.8 | 0 | 0 | 0 | 0 | 110.4 | F281 L283 Q359 I360 E389 W393 | F281-V381 HydrophobicContact CE2-CG1 4.28Å; F281-V381 HydrophobicContact CE2-CG2 4.4Å; F281-V381 HydrophobicContact CZ-CG1 3.86Å; L283-V381 HydrophobicContact CD1-CG2 4.06Å; Q359-V381 CarbonylContact C-O 3.57Å; Q359-V381 VanDerWaalsContact CA-O 3.29Å; Q359-V381 WeakPolarHBondContact CA-O 3.47Å; I360-V381 HydrophobicContact CB-CG2 3.78Å; I360-V381 HydrophobicContact CG2-CG2 4.4Å; I360-V381 PolarHBondContact N-O 3.33Å; I360-V381 PolarHBondContact O-N 2.81Å; V381-E389 HydrophobicContact CG1-CB 3.95Å; V381-E389 HydrophobicContact CG1-CG 4.32Å; V381-W393 HydrophobicContact CB-CE3 4.04Å; V381-W393 HydrophobicContact CG2-CE3 3.77Å; V381-W393 HydrophobicContact CG2-CZ3 3.96Å |
| 382 | G | 91.7 | Very high | 91.9 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 107 | -143.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N384 S385 | G382-N384 PolarHBondContact O-N 2.85Å; G382-S385 PolarHBondContact N-OG 3.39Å; G382-S385 WeakPolarHBondContact O-CB 3.46Å; G382-S385 PolarHBondContact O-N 3.42Å; G382-S385 VanDerWaalsContact O-N 3.13Å; G382-S385 PolarHBondContact O-OG 3.41Å |
| 383 | Y | 87.1 | Confident | 92.4 | Very high | 117 Ų | 117 | 38 Ų | 38 | 46% | 0.459 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 134.8 | -172.6 | -174.1 | -119.2 | 0 | 0 | 0 | 112.4 | Q356 V358 Q359 S385 | Q356-Y383 WeakPolarHBondContact O-CD2 3.5Å; V358-Y383 WeakPolarHBondContact O-CB 3.18Å; V358-Y383 PolarHBondContact O-N 3.12Å; Q359-Y383 WeakPolarHBondContact CG-O 3.3Å; Q359-Y383 PolarHBondContact NE2-O 2.94Å; Y383-S385 PolarHBondContact O-N 3.31Å; Y383-S385 VanDerWaalsContact O-N 3.12Å |
| 384 | N | 84.7 | Confident | 92.7 | Very high | 50 Ų | 50 | 37.7 Ų | 37.7 | 27% | 0.267 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 10.1 | -178.1 | -69.7 | -25.8 | 0 | 0 | 0 | 117.3 | G382 K423 | G382-N384 PolarHBondContact O-N 2.85Å; N384-K423 HydrophobicContact CB-CD 3.69Å; N384-K423 WeakPolarHBondContact ND2-CB 3.38Å; N384-K423 PolarHBondContact O-NZ 2.74Å |
| 385 | S | 89.1 | Confident | 92.9 | Very high | 7 Ų | 7 | 37.1 Ų | 37.1 | 5% | 0.049 | 21% | 0.206 | C | C | . | . | trans | -68.7 | 165.4 | 166.9 | 63.7 | 0 | 0 | 0 | 0 | 111.4 | G382 Y383 L390 | G382-S385 PolarHBondContact N-OG 3.39Å; G382-S385 WeakPolarHBondContact O-CB 3.46Å; G382-S385 PolarHBondContact O-N 3.42Å; G382-S385 VanDerWaalsContact O-N 3.13Å; G382-S385 PolarHBondContact O-OG 3.41Å; Y383-S385 PolarHBondContact O-N 3.31Å; Y383-S385 VanDerWaalsContact O-N 3.12Å; S385-L390 WeakPolarHBondContact OG-CA 3.36Å; S385-L390 PolarHBondContact OG-N 2.64Å | ||
| 386 | T | 87.3 | Confident | 93.1 | Very high | 72 Ų | 72 | 36 Ų | 36 | 44% | 0.442 | 20% | 0.197 | S | C | . | . | trans | -132.7 | 177.7 | -176.5 | 42.6 | 0 | 0 | 0 | 0 | 109.8 | A388 E389 L390 | T386-A388 PolarHBondContact O-N 3.1Å; T386-E389 WeakPolarHBondContact O-CB 3.39Å; T386-E389 PolarHBondContact O-N 2.87Å; T386-E389 VanDerWaalsContact O-OE2 3.08Å; T386-L390 PolarHBondContact O-N 3.14Å | ||
| 387 | G | 91.8 | Very high | 93 | Very high | 61 Ų | 61 | 38.2 Ų | 38.2 | 63% | 0.629 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | 51.5 | -130.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | E389 R391 | G387-E389 VanDerWaalsContact C-N 3.33Å; G387-R391 PolarHBondContact O-N 3.46Å; G387-R391 VanDerWaalsContact O-N 3.17Å |
| 388 | A | 91.9 | Very high | 93 | Very high | 44 Ų | 44 | 40.8 Ų | 40.8 | 36% | 0.364 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69.4 | -31.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T386 R391 H392 Q406 | T386-A388 PolarHBondContact O-N 3.1Å; A388-R391 PolarHBondContact O-N 3.33Å; A388-H392 WeakPolarHBondContact O-CB 3.28Å; A388-H392 PolarHBondContact O-N 3.04Å; A388-Q406 PolarHBondContact O-NE2 3.31Å |
| 389 | E | 94 | Very high | 92.8 | Very high | 33 Ų | 33 | 43.2 Ų | 43.2 | 15% | 0.154 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.3 | -43.4 | 179.5 | -64.1 | 79.7 | 177.2 | 0 | 0 | 111.6 | V379 F380 V381 T386 G387 W393 | V379-E389 HydrophobicContact CG2-CG 3.47Å; V379-E389 VanDerWaalsContact CG2-CG 3.47Å; V379-E389 WeakPolarHBondContact CG2-OE1 3.31Å; F380-E389 WeakPolarHBondContact O-CB 3.45Å; F380-E389 WeakPolarHBondContact O-CG 3.46Å; V381-E389 HydrophobicContact CG1-CB 3.95Å; V381-E389 HydrophobicContact CG1-CG 4.32Å; T386-E389 WeakPolarHBondContact O-CB 3.39Å; T386-E389 PolarHBondContact O-N 2.87Å; T386-E389 VanDerWaalsContact O-OE2 3.08Å; G387-E389 VanDerWaalsContact C-N 3.33Å; E389-W393 PolarHBondContact O-N 3.29Å |
| 390 | L | 93.4 | Very high | 92.5 | Very high | 77 Ų | 77 | 46 Ų | 46 | 40% | 0.403 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68.1 | -43 | 174.6 | -179.3 | 60.3 | 0 | 0 | 0 | 111.1 | S385 T386 H392 W393 S394 | S385-L390 WeakPolarHBondContact OG-CA 3.36Å; S385-L390 PolarHBondContact OG-N 2.64Å; T386-L390 PolarHBondContact O-N 3.14Å; L390-H392 PolarHBondContact O-N 3.26Å; L390-W393 PolarHBondContact O-N 3.45Å; L390-S394 PolarHBondContact O-N 3.41Å; L390-S394 PolarHBondContact O-OG 3.12Å |
| 391 | R | 94.4 | Very high | 92.2 | Very high | 170 Ų | 170 | 53.8 Ų | 53.8 | 64% | 0.642 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -56.6 | -49.3 | 175.4 | 179.2 | 176.3 | 175.6 | 167.4 | 1.7 | 111.4 | G387 A388 W393 S394 D395 | G387-R391 PolarHBondContact O-N 3.46Å; G387-R391 VanDerWaalsContact O-N 3.17Å; A388-R391 PolarHBondContact O-N 3.33Å; R391-W393 VanDerWaalsContact C-N 3.28Å; R391-W393 PolarHBondContact O-N 2.97Å; R391-S394 PolarHBondContact O-N 2.72Å; R391-D395 WeakPolarHBondContact CG-OD2 3.4Å; R391-D395 IonicContact NE-OD2 3Å; R391-D395 WeakPolarHBondContact O-CB 3.49Å; R391-D395 PolarHBondContact O-N 3.3Å |
| 392 | H | 96.7 | Very high | 92 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.5 | -39 | 179.8 | -167.8 | -162.2 | 0 | 0 | 0 | 112.6 | F281 L283 A388 L390 M396 I404 A405 Q406 H408 | F281-H392 AromaticContact CD2-CE1 2.88Å; F281-H392 WeakPolarHBondContact CD2-CE1 3.31Å; F281-H392 AromaticContact CE2-CE1 3.03Å; F281-H392 WeakPolarHBondContact CE2-CE1 3.46Å; F281-H392 AromaticContact CE2-ND1 3.57Å; F281-H392 AromaticContact CG-CE1 3.64Å; F281-H392 AromaticContact CZ-CE1 3.89Å; F281-H392 PolarHBondContact O-CE1 3.01Å; L283-H392 WeakPolarHBondContact CD1-ND1 3.38Å; L283-H392 PolarHBondContact N-NE2 3.2Å; A388-H392 WeakPolarHBondContact O-CB 3.28Å; A388-H392 PolarHBondContact O-N 3.04Å; L390-H392 PolarHBondContact O-N 3.26Å; H392-M396 WeakPolarHBondContact O-CB 3.21Å; H392-M396 PolarHBondContact O-N 2.86Å; H392-I404 PolarHBondContact NE2-O 3.5Å; H392-A405 WeakPolarHBondContact NE2-CA 3.47Å; H392-A405 PolarHBondContact NE2-N 3.49Å; H392-Q406 HydrophobicContact CB-CB 4.43Å; H392-H408 AromaticContact CE1-NE2 3.9Å; H392-H408 AromaticContact CG-CE1 3.94Å; H392-H408 AromaticContact CG-NE2 3.6Å; H392-H408 AromaticContact ND1-CE1 3.57Å; H392-H408 AromaticContact ND1-NE2 2.88Å; H392-H408 PolarHBondContact ND1-NE2 3.46Å |
| 393 | W | 95.7 | Very high | 92.2 | Very high | 11 Ų | 11 | 65.4 Ų | 65.4 | 4% | 0.042 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -69.6 | -42.1 | 176.9 | -165.7 | -98.6 | 0 | 0 | 0 | 112.6 | L283 L292 I355 V358 I360 V381 E389 L390 R391 M396 L397 | L283-W393 HydrophobicContact CD1-CE3 3.97Å; L283-W393 HydrophobicContact CD1-CZ3 4.49Å; L292-W393 HydrophobicContact CD2-CH2 3.81Å; L292-W393 HydrophobicContact CD2-CZ3 4.23Å; I355-W393 HydrophobicContact CD1-CH2 4.11Å; I355-W393 HydrophobicContact CD1-CZ2 3.76Å; I355-W393 HydrophobicContact CG1-CZ2 3.98Å; I355-W393 WeakPolarHBondContact O-CZ2 3.48Å; V358-W393 HydrophobicContact CG2-CH2 4.01Å; V358-W393 HydrophobicContact CG2-CZ2 3.91Å; I360-W393 HydrophobicContact CG1-CH2 4.24Å; I360-W393 HydrophobicContact CG1-CZ3 3.97Å; V381-W393 HydrophobicContact CB-CE3 4.04Å; V381-W393 HydrophobicContact CG2-CE3 3.77Å; V381-W393 HydrophobicContact CG2-CZ3 3.96Å; E389-W393 PolarHBondContact O-N 3.29Å; L390-W393 PolarHBondContact O-N 3.45Å; R391-W393 VanDerWaalsContact C-N 3.28Å; R391-W393 PolarHBondContact O-N 2.97Å; W393-M396 HydrophobicContact CD2-CE 3.61Å; W393-M396 HydrophobicContact CE3-CE 3.74Å; W393-M396 HydrophobicContact CE3-SD 4.38Å; W393-M396 HydrophobicContact CG-CE 4.22Å; W393-M396 HydrophobicContact CH2-CE 4.07Å; W393-M396 HydrophobicContact CZ2-CE 3.94Å; W393-M396 HydrophobicContact CZ3-CE 3.97Å; W393-M396 HydrophobicContact CZ3-SD 4.42Å; W393-M396 PolarHBondContact O-N 3.46Å; W393-L397 WeakPolarHBondContact O-CG 3.5Å; W393-L397 PolarHBondContact O-N 2.89Å; W393-L397 VanDerWaalsContact O-N 3.09Å |
| 394 | S | 94.1 | Very high | 92.6 | Very high | 38 Ų | 38 | 61.7 Ų | 61.7 | 27% | 0.266 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 174.6 | -69 | 0 | 0 | 0 | 0 | 111.9 | L390 R391 M396 L397 A398 | L390-S394 PolarHBondContact O-N 3.41Å; L390-S394 PolarHBondContact O-OG 3.12Å; R391-S394 PolarHBondContact O-N 2.72Å; S394-M396 VanDerWaalsContact C-N 3.34Å; S394-M396 PolarHBondContact O-N 3.14Å; S394-L397 PolarHBondContact O-N 2.95Å; S394-L397 VanDerWaalsContact O-N 3.13Å; S394-A398 WeakPolarHBondContact O-CB 3.46Å; S394-A398 PolarHBondContact O-N 2.82Å |
| 395 | D | 94.5 | Very high | 93.2 | Very high | 55 Ų | 55 | 62.2 Ų | 62.2 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.4 | -38 | 177.5 | -78 | -32.2 | 0 | 0 | 0 | 111.7 | R391 N399 I404 | R391-D395 WeakPolarHBondContact CG-OD2 3.4Å; R391-D395 IonicContact NE-OD2 3Å; R391-D395 WeakPolarHBondContact O-CB 3.49Å; R391-D395 PolarHBondContact O-N 3.3Å; D395-N399 WeakPolarHBondContact O-CB 3.45Å; D395-N399 PolarHBondContact O-N 3.41Å; D395-N399 PolarHBondContact O-ND2 2.84Å; D395-I404 HydrophobicContact CB-CG1 4.46Å; D395-I404 HydrophobicContact CB-CG2 4.17Å |
| 396 | M | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.7 | -43 | 171.2 | 176.5 | -157.9 | 64.1 | 0 | 0 | 112.2 | L283 L292 H392 W393 S394 | L283-M396 HydrophobicContact CB-CB 4.03Å; L283-M396 HydrophobicContact CB-CG 3.85Å; L283-M396 HydrophobicContact CB-SD 3.69Å; L283-M396 HydrophobicContact CD1-SD 4.25Å; L283-M396 HydrophobicContact CG-SD 4.45Å; L292-M396 HydrophobicContact CD1-CE 4.39Å; L292-M396 HydrophobicContact CD1-SD 3.44Å; L292-M396 WeakPolarHBondContact CD1-SD 3.28Å; H392-M396 WeakPolarHBondContact O-CB 3.21Å; H392-M396 PolarHBondContact O-N 2.86Å; W393-M396 HydrophobicContact CD2-CE 3.61Å; W393-M396 HydrophobicContact CE3-CE 3.74Å; W393-M396 HydrophobicContact CE3-SD 4.38Å; W393-M396 HydrophobicContact CG-CE 4.22Å; W393-M396 HydrophobicContact CH2-CE 4.07Å; W393-M396 HydrophobicContact CZ2-CE 3.94Å; W393-M396 HydrophobicContact CZ3-CE 3.97Å; W393-M396 HydrophobicContact CZ3-SD 4.42Å; W393-M396 PolarHBondContact O-N 3.46Å; S394-M396 VanDerWaalsContact C-N 3.34Å; S394-M396 PolarHBondContact O-N 3.14Å |
| 397 | L | 93.3 | Very high | 94 | Very high | 49 Ų | 49 | 64.6 Ų | 64.6 | 26% | 0.257 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -72.4 | -37.3 | -179.9 | -71 | 174.9 | 0 | 0 | 0 | 112.4 | Y285 I355 W393 S394 N399 | Y285-L397 HydrophobicContact CD1-CD2 4.29Å; I355-L397 HydrophobicContact CG1-CD2 3.85Å; I355-L397 HydrophobicContact CG2-CD2 4Å; W393-L397 WeakPolarHBondContact O-CG 3.5Å; W393-L397 PolarHBondContact O-N 2.89Å; W393-L397 VanDerWaalsContact O-N 3.09Å; S394-L397 PolarHBondContact O-N 2.95Å; S394-L397 VanDerWaalsContact O-N 3.13Å; L397-N399 VanDerWaalsContact C-N 3.31Å; L397-N399 PolarHBondContact O-N 3.07Å |
| 398 | A | 93.3 | Very high | 94.2 | Very high | 56 Ų | 56 | 61.8 Ų | 61.8 | 46% | 0.463 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -70.1 | -25.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S394 P400 | S394-A398 WeakPolarHBondContact O-CB 3.46Å; S394-A398 PolarHBondContact O-N 2.82Å; A398-P400 WeakPolarHBondContact O-CD 3.43Å |
| 399 | N | 92.6 | Very high | 94.4 | Very high | 52 Ų | 52 | 63.1 Ų | 63.1 | 28% | 0.278 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -113.2 | 59.9 | -178.7 | -66.8 | -86.6 | 0 | 0 | 0 | 112.8 | D395 L397 R401 R402 I404 | D395-N399 WeakPolarHBondContact O-CB 3.45Å; D395-N399 PolarHBondContact O-N 3.41Å; D395-N399 PolarHBondContact O-ND2 2.84Å; L397-N399 VanDerWaalsContact C-N 3.31Å; L397-N399 PolarHBondContact O-N 3.07Å; N399-R401 PolarHBondContact O-N 2.89Å; N399-R402 HydrophobicContact CB-CB 4.23Å; N399-R402 PolarHBondContact O-N 3.43Å; N399-I404 HydrophobicContact CB-CD1 3.94Å; N399-I404 HydrophobicContact CB-CG1 4.33Å |
| 400 | P | 89.6 | Confident | 94.4 | Very high | 62 Ų | 62 | 61.8 Ų | 61.8 | 40% | 0.403 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 137.8 | -174.3 | 26.6 | -35.5 | 0 | 0 | 0 | 111.9 | P287 A398 R402 | P287-P400 HydrophobicContact CG-CB 4.29Å; A398-P400 WeakPolarHBondContact O-CD 3.43Å; P400-R402 PolarHBondContact O-N 3.12Å |
| 401 | R | 89.6 | Confident | 94.4 | Very high | 172 Ų | 172 | 61 Ų | 61 | 65% | 0.649 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | -0.9 | -173.8 | -50.9 | 172.6 | -70.7 | 176.9 | -3 | 116 | R284 Y285 V286 N399 | R284-R401 VanDerWaalsContact CZ-O 3.27Å; R284-R401 PolarHBondContact NE-O 2.83Å; R284-R401 PolarHBondContact NH2-O 3.01Å; Y285-R401 PolarHBondContact O-N 2.8Å; V286-R401 HydrophobicContact CG1-CG 4.21Å; V286-R401 HydrophobicContact CG2-CG 4.23Å; N399-R401 PolarHBondContact O-N 2.89Å |
| 402 | R | 91.9 | Very high | 94.2 | Very high | 168 Ų | 168 | 54.7 Ų | 54.7 | 63% | 0.634 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -97.6 | 143.7 | 168.7 | -66.2 | -176.9 | 168.9 | -172.3 | -6 | 110.7 | N399 P400 | N399-R402 HydrophobicContact CB-CB 4.23Å; N399-R402 PolarHBondContact O-N 3.43Å; P400-R402 PolarHBondContact O-N 3.12Å |
| 403 | P | 95 | Very high | 94 | Very high | 80 Ų | 80 | 58.2 Ų | 58.2 | 52% | 0.519 | 30% | 0.304 | S | S | . | . | trans | -78.9 | 131.7 | 165 | 32.4 | -30.2 | 0 | 0 | 0 | 110.1 | L283 R284 | L283-P403 WeakPolarHBondContact O-CA 3.37Å; R284-P403 HydrophobicContact CB-CB 4.21Å | ||
| 404 | I | 96.8 | Very high | 93.6 | Very high | 38 Ų | 38 | 65.6 Ų | 65.6 | 20% | 0.195 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 119.7 | 169 | -54.9 | -57.9 | 0 | 0 | 0 | 107.2 | S282 L283 H392 D395 N399 | S282-I404 CarbonylContact C-O 3.36Å; S282-I404 WeakPolarHBondContact CA-O 3.42Å; S282-I404 WeakPolarHBondContact CB-O 3.25Å; L283-I404 PolarHBondContact N-O 2.92Å; L283-I404 PolarHBondContact O-N 2.75Å; H392-I404 PolarHBondContact NE2-O 3.5Å; D395-I404 HydrophobicContact CB-CG1 4.46Å; D395-I404 HydrophobicContact CB-CG2 4.17Å; N399-I404 HydrophobicContact CB-CD1 3.94Å; N399-I404 HydrophobicContact CB-CG1 4.33Å |
| 405 | A | 96.6 | Very high | 93.3 | Very high | 61 Ų | 61 | 68.2 Ų | 68.2 | 50% | 0.504 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 137 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | L297 H392 | L297-A405 HydrophobicContact CD1-CB 3.94Å; H392-A405 WeakPolarHBondContact NE2-CA 3.47Å; H392-A405 PolarHBondContact NE2-N 3.49Å |
| 406 | Q | 96.3 | Very high | 93 | Very high | 37 Ų | 37 | 65.8 Ų | 65.8 | 17% | 0.173 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 148.9 | 178.6 | -154.7 | -174.3 | -73.4 | 0 | 0 | 111.2 | F281 A388 H392 H408 | F281-Q406 PolarHBondContact N-O 3.05Å; F281-Q406 PolarHBondContact O-N 3.05Å; A388-Q406 PolarHBondContact O-NE2 3.31Å; H392-Q406 HydrophobicContact CB-CB 4.43Å; Q406-H408 PolarHBondContact NE2-CE1 3.4Å |
| 407 | W | 97.4 | Very high | 92.7 | Very high | 92 Ų | 92 | 68.3 Ų | 68.3 | 35% | 0.348 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 145.7 | 167.1 | -72.2 | 96.4 | 0 | 0 | 0 | 110.9 | D278 I279 C280 E298 K300 | D278-W407 HydrophobicContact CB-CE3 3.62Å; D278-W407 HydrophobicContact CB-CZ3 4Å; I279-W407 WeakPolarHBondContact O-CA 3.42Å; C280-W407 HydrophobicContact CB-CD2 3.7Å; C280-W407 HydrophobicContact CB-CE3 3.69Å; C280-W407 HydrophobicContact CB-CG 4.38Å; C280-W407 HydrophobicContact CB-CH2 3.83Å; C280-W407 HydrophobicContact CB-CZ2 3.84Å; C280-W407 HydrophobicContact CB-CZ3 3.76Å; E298-W407 HydrophobicContact CG-CH2 3.83Å; E298-W407 HydrophobicContact CG-CZ2 4.24Å; E298-W407 VanDerWaalsContact OE1-CZ2 3.24Å; E298-W407 WeakPolarHBondContact OE1-CZ2 3.34Å; K300-W407 HydrophobicContact CB-CH2 4.18Å; K300-W407 HydrophobicContact CB-CZ3 4.26Å; K300-W407 HydrophobicContact CD-CE3 4.32Å; K300-W407 HydrophobicContact CD-CH2 3.57Å; K300-W407 HydrophobicContact CD-CZ2 4.14Å; K300-W407 HydrophobicContact CD-CZ3 3.68Å; K300-W407 HydrophobicContact CG-CE3 4.46Å; K300-W407 HydrophobicContact CG-CH2 3.83Å; K300-W407 HydrophobicContact CG-CZ3 3.61Å |
| 408 | H | 96 | Very high | 92.4 | Very high | 3 Ų | 3 | 68.3 Ų | 68.3 | 1% | 0.014 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 133.1 | 172.9 | -60.6 | -91.8 | 0 | 0 | 0 | 109.7 | D278 I279 F281 V379 H392 Q406 | D278-H408 CarbonylContact C-O 3.59Å; D278-H408 WeakPolarHBondContact CA-O 3.21Å; I279-H408 HydrophobicContact CG2-CB 4.42Å; I279-H408 PolarHBondContact N-O 3Å; I279-H408 PolarHBondContact O-N 3.46Å; F281-H408 HydrophobicContact CE1-CB 4.36Å; F281-H408 AromaticContact CE1-CD2 3.27Å; F281-H408 WeakPolarHBondContact CE1-CD2 3.47Å; F281-H408 AromaticContact CE1-CG 3.95Å; F281-H408 AromaticContact CE1-NE2 3.91Å; F281-H408 AromaticContact CZ-CD2 3.44Å; F281-H408 VanDerWaalsContact CZ-CD2 3.44Å; F281-H408 WeakPolarHBondContact CZ-CD2 3.16Å; F281-H408 AromaticContact CZ-NE2 3.57Å; V379-H408 HydrophobicContact CG1-CB 4.43Å; V379-H408 HydrophobicContact CG2-CB 4.13Å; H392-H408 AromaticContact CE1-NE2 3.9Å; H392-H408 AromaticContact CG-CE1 3.94Å; H392-H408 AromaticContact CG-NE2 3.6Å; H392-H408 AromaticContact ND1-CE1 3.57Å; H392-H408 AromaticContact ND1-NE2 2.88Å; H392-H408 PolarHBondContact ND1-NE2 3.46Å; Q406-H408 PolarHBondContact NE2-CE1 3.4Å |
| 409 | T | 94.6 | Very high | 92 | Very high | 71 Ų | 71 | 69.1 Ų | 69.1 | 44% | 0.436 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 131 | 177 | -57.1 | 0 | 0 | 0 | 0 | 110.1 | D278 | D278-T409 WeakPolarHBondContact OD1-CA 3.36Å; D278-T409 WeakPolarHBondContact OD1-CB 3.42Å; D278-T409 PolarHBondContact OD1-OG1 3.1Å |
| 410 | L | 95.1 | Very high | 91.7 | Very high | 5 Ų | 5 | 67.5 Ų | 67.5 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | trans | -71.9 | 133.7 | -176.9 | -65 | 173.1 | 0 | 0 | 0 | 111.2 | L276 G277 I279 L302 V364 | L276-L410 HydrophobicContact CB-CB 3.88Å; G277-L410 VanDerWaalsContact O-CB 3.32Å; G277-L410 WeakPolarHBondContact O-CB 3.48Å; G277-L410 WeakPolarHBondContact O-CG 3.22Å; G277-L410 PolarHBondContact O-N 2.9Å; I279-L410 HydrophobicContact CB-CD2 4.28Å; I279-L410 HydrophobicContact CG2-CD2 3.69Å; I279-L410 HydrophobicContact CG2-CG 4.39Å; L302-L410 HydrophobicContact CD2-CD1 3.56Å; V364-L410 HydrophobicContact CB-CD1 4.04Å; V364-L410 HydrophobicContact CG2-CD1 3.76Å; V364-L410 HydrophobicContact CG2-CD2 3.83Å; V364-L410 HydrophobicContact CG2-CG 4.46Å | ||
| 411 | Q | 92.7 | Very high | 91 | Very high | 60 Ų | 60 | 67 Ų | 67 | 28% | 0.28 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -106.4 | 160.2 | 177.8 | -59.3 | -58.4 | -36 | 0 | 0 | 110.8 | L276 G377 K378 V416 | L276-Q411 VanDerWaalsContact CD1-C 3.44Å; G377-Q411 WeakPolarHBondContact CA-O 3.43Å; K378-Q411 PolarHBondContact N-O 3.05Å; K378-Q411 PolarHBondContact O-N 2.8Å; Q411-V416 HydrophobicContact CB-CG2 3.58Å; Q411-V416 HydrophobicContact CG-CG2 4.47Å |
| 412 | P | 91.6 | Very high | 89.6 | Confident | 39 Ų | 39 | 64.6 Ų | 64.6 | 25% | 0.253 | 35% | 0.346 | S | S | . | . | trans | -56.9 | 142.4 | 177.3 | -26.7 | 36.6 | 0 | 0 | 0 | 112.8 | L276 E414 E415 V416 | L276-P412 HydrophobicContact CD1-CG 4.17Å; P412-E414 PolarHBondContact O-N 2.92Å; P412-E415 HydrophobicContact CB-CB 4.28Å; P412-E415 HydrophobicContact CB-CG 4.1Å; P412-E415 HydrophobicContact CG-CG 4.22Å; P412-E415 PolarHBondContact O-N 2.96Å; P412-V416 PolarHBondContact O-N 3.38Å | ||
| 413 | E | 90.8 | Very high | 87.8 | Confident | 73 Ų | 73 | 61.3 Ų | 61.3 | 34% | 0.341 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.9 | -35.6 | -178.6 | 147.3 | 140.5 | -90.7 | 0 | 0 | 112.1 | A375 K378 D417 | A375-E413 HydrophobicContact CB-CB 4.08Å; A375-E413 HydrophobicContact CB-CG 4.45Å; A375-E413 VanDerWaalsContact CB-OE2 3.27Å; A375-E413 WeakPolarHBondContact CB-OE2 3.44Å; K378-E413 WeakPolarHBondContact CE-OE1 3.37Å; K378-E413 VanDerWaalsContact NZ-CG 3.3Å; K378-E413 PolarHBondContact NZ-O 3.16Å; K378-E413 IonicContact NZ-OE1 2.73Å; K378-E413 PolarHBondContact NZ-OE1 3.3Å; E413-D417 WeakPolarHBondContact O-CB 3.29Å; E413-D417 PolarHBondContact O-N 2.82Å |
| 414 | E | 87.6 | Confident | 85.3 | Confident | 167 Ų | 167 | 67.5 Ų | 67.5 | 78% | 0.78 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -72.7 | -46.6 | -179.6 | -58.7 | -174.3 | 171.8 | 0 | 0 | 112.9 | P412 V416 D417 A418 | P412-E414 PolarHBondContact O-N 2.92Å; E414-V416 VanDerWaalsContact C-N 3.32Å; E414-V416 PolarHBondContact O-N 2.83Å; E414-D417 PolarHBondContact O-N 3.19Å; E414-A418 WeakPolarHBondContact O-CB 3.49Å; E414-A418 PolarHBondContact O-N 2.71Å |
| 415 | E | 87.9 | Confident | 84.8 | Confident | 92 Ų | 92 | 69 Ų | 69 | 43% | 0.43 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 178.1 | -68.8 | -177.6 | -158.2 | 0 | 0 | 110.8 | Q273 P412 A418 M419 | Q273-E415 PolarHBondContact NE2-OE1 2.76Å; Q273-E415 PolarHBondContact NE2-OE2 2.9Å; P412-E415 HydrophobicContact CB-CB 4.28Å; P412-E415 HydrophobicContact CB-CG 4.1Å; P412-E415 HydrophobicContact CG-CG 4.22Å; P412-E415 PolarHBondContact O-N 2.96Å; E415-A418 WeakPolarHBondContact O-CB 3.3Å; E415-A418 PolarHBondContact O-N 3.24Å; E415-M419 WeakPolarHBondContact O-CG 3.36Å; E415-M419 PolarHBondContact O-N 3.19Å |
| 416 | V | 89.4 | Confident | 84.1 | Confident | 4 Ų | 4 | 69.4 Ų | 69.4 | 2% | 0.024 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69.8 | -42.4 | 177.6 | 175.5 | 0 | 0 | 0 | 0 | 112.3 | K378 F380 Q411 P412 E414 A418 M419 L420 | K378-V416 HydrophobicContact CB-CB 4.2Å; K378-V416 HydrophobicContact CB-CG1 4.33Å; K378-V416 HydrophobicContact CB-CG2 4.25Å; K378-V416 HydrophobicContact CD-CB 3.85Å; K378-V416 HydrophobicContact CD-CG1 3.52Å; K378-V416 HydrophobicContact CG-CB 4.17Å; K378-V416 HydrophobicContact CG-CG1 3.79Å; F380-V416 HydrophobicContact CD1-CG1 3.77Å; F380-V416 HydrophobicContact CE1-CG1 4.5Å; Q411-V416 HydrophobicContact CB-CG2 3.58Å; Q411-V416 HydrophobicContact CG-CG2 4.47Å; P412-V416 PolarHBondContact O-N 3.38Å; E414-V416 VanDerWaalsContact C-N 3.32Å; E414-V416 PolarHBondContact O-N 2.83Å; V416-A418 VanDerWaalsContact C-N 3.26Å; V416-A418 PolarHBondContact O-N 3.03Å; V416-M419 PolarHBondContact O-N 2.69Å; V416-L420 HydrophobicContact CG1-CD1 4.02Å; V416-L420 HydrophobicContact CG1-CG 4.41Å; V416-L420 VanDerWaalsContact O-CG 3.28Å; V416-L420 WeakPolarHBondContact O-CG 3.37Å; V416-L420 PolarHBondContact O-N 2.86Å |
| 417 | D | 89.1 | Confident | 83.5 | Confident | 53 Ų | 53 | 71.2 Ų | 71.2 | 28% | 0.283 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.4 | -28.8 | 176.1 | -85.9 | 6.3 | 0 | 0 | 0 | 111.9 | R325 K378 E413 E414 L420 A421 | R325-D417 IonicContact NH2-OD2 3.67Å; K378-D417 IonicContact NZ-OD1 2.74Å; K378-D417 PolarHBondContact NZ-OD1 3.37Å; K378-D417 IonicContact NZ-OD2 2.64Å; K378-D417 PolarHBondContact NZ-OD2 3.32Å; E413-D417 WeakPolarHBondContact O-CB 3.29Å; E413-D417 PolarHBondContact O-N 2.82Å; E414-D417 PolarHBondContact O-N 3.19Å; D417-L420 PolarHBondContact O-N 3.23Å; D417-A421 WeakPolarHBondContact O-CB 3.45Å; D417-A421 PolarHBondContact O-N 3.06Å |
| 418 | A | 86.8 | Confident | 82.6 | Confident | 50 Ų | 50 | 69.9 Ų | 69.9 | 41% | 0.413 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.2 | -46.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E414 E415 V416 L420 A421 V422 | E414-A418 WeakPolarHBondContact O-CB 3.49Å; E414-A418 PolarHBondContact O-N 2.71Å; E415-A418 WeakPolarHBondContact O-CB 3.3Å; E415-A418 PolarHBondContact O-N 3.24Å; V416-A418 VanDerWaalsContact C-N 3.26Å; V416-A418 PolarHBondContact O-N 3.03Å; A418-L420 VanDerWaalsContact C-N 3.25Å; A418-L420 PolarHBondContact O-N 2.91Å; A418-A421 PolarHBondContact O-N 2.91Å; A418-V422 WeakPolarHBondContact O-CB 3.4Å; A418-V422 VanDerWaalsContact O-CG2 3.27Å; A418-V422 WeakPolarHBondContact O-CG2 3.17Å; A418-V422 PolarHBondContact O-N 2.84Å |
| 419 | M | 85.7 | Confident | 81.8 | Confident | 72 Ų | 72 | 74.1 Ų | 74.1 | 36% | 0.355 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.4 | -36.4 | 174.1 | -70.3 | 177.4 | 77.8 | 0 | 0 | 112.7 | F380 E415 V416 | F380-M419 HydrophobicContact CE1-CB 4.11Å; F380-M419 HydrophobicContact CE1-CE 3.93Å; F380-M419 HydrophobicContact CE1-SD 4.18Å; F380-M419 HydrophobicContact CZ-CB 4.38Å; F380-M419 HydrophobicContact CZ-CE 4.15Å; E415-M419 WeakPolarHBondContact O-CG 3.36Å; E415-M419 PolarHBondContact O-N 3.19Å; V416-M419 PolarHBondContact O-N 2.69Å |
| 420 | L | 84.8 | Confident | 81 | Confident | 18 Ų | 18 | 74.3 Ų | 74.3 | 9% | 0.094 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -75.5 | -25.5 | 175.6 | -66.8 | 170.7 | 0 | 0 | 0 | 113.3 | V361 F380 V416 D417 A418 | V361-L420 HydrophobicContact CG1-CD1 4.45Å; V361-L420 HydrophobicContact CG2-CD1 3.67Å; V361-L420 HydrophobicContact CG2-CD2 4.28Å; F380-L420 HydrophobicContact CB-CD2 4.34Å; F380-L420 HydrophobicContact CD1-CD2 4.39Å; F380-L420 HydrophobicContact CD2-CD2 3.69Å; F380-L420 HydrophobicContact CE2-CD2 4.05Å; F380-L420 HydrophobicContact CG-CD2 3.88Å; F380-L420 HydrophobicContact CG-CG 4.5Å; V416-L420 HydrophobicContact CG1-CD1 4.02Å; V416-L420 HydrophobicContact CG1-CG 4.41Å; V416-L420 VanDerWaalsContact O-CG 3.28Å; V416-L420 WeakPolarHBondContact O-CG 3.37Å; V416-L420 PolarHBondContact O-N 2.86Å; D417-L420 PolarHBondContact O-N 3.23Å; A418-L420 VanDerWaalsContact C-N 3.25Å; A418-L420 PolarHBondContact O-N 2.91Å |
| 421 | A | 74.8 | Confident | 80 | Confident | 52 Ų | 52 | 79.3 Ų | 79.3 | 43% | 0.43 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -88.6 | -37.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D417 A418 K423 | D417-A421 WeakPolarHBondContact O-CB 3.45Å; D417-A421 PolarHBondContact O-N 3.06Å; A418-A421 PolarHBondContact O-N 2.91Å; A421-K423 PolarHBondContact O-N 2.84Å |
| 422 | V | 60.3 | Low | 79 | Confident | 122 Ų | 122 | 80.8 Ų | 80.8 | 74% | 0.739 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -21.1 | -173.9 | 165.8 | 0 | 0 | 0 | 0 | 113.4 | A418 | A418-V422 WeakPolarHBondContact O-CB 3.4Å; A418-V422 VanDerWaalsContact O-CG2 3.27Å; A418-V422 WeakPolarHBondContact O-CG2 3.17Å; A418-V422 PolarHBondContact O-N 2.84Å |
| 423 | K | 55.3 | Low | 77.9 | Confident | 99 Ų | 99 | 84.3 Ų | 84.3 | 43% | 0.43 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 40.8 | -173.4 | -56.4 | 177.9 | -176.1 | 176.9 | 0 | 113.2 | N384 A421 | N384-K423 HydrophobicContact CB-CD 3.69Å; N384-K423 WeakPolarHBondContact ND2-CB 3.38Å; N384-K423 PolarHBondContact O-NZ 2.74Å; A421-K423 PolarHBondContact O-N 2.84Å |
| 424 | K | 42.6 | Very low | 76.7 | Confident | 209 Ų | 209 | 85.3 Ų | 85.3 | 91% | 0.909 | 44% | 0.444 | S | S | * | . | trans | -85.5 | 0 | 173.7 | -82.2 | 178.8 | 174.6 | 170.9 | 0 | 113 |
Retrieved 424 of 424 residues in 722.6 ms
(Link to these results)