| 1 | M | 45.7 | Very low | 51 | Low | 225 Ų | 225 | 131.5 Ų | 131.5 | 100% | 1.108 | 85% | 0.846 | S | S | * | * | | | | 0 | 133.9 | 0 | -73.2 | -78.9 | 156.3 | 0 | 0 | 106.5 | | |
| 2 | P | 51.9 | Low | 50.8 | Low | 128 Ų | 128 | 131.3 Ų | 131.3 | 83% | 0.831 | 84% | 0.841 | S | S | * | * | | | cis | -129.2 | 175.1 | 29.1 | 34.2 | -14.4 | 0 | 0 | 0 | 115.2 | | |
| 3 | R | 61.1 | Low | 50.7 | Low | 211 Ų | 211 | 128.8 Ų | 128.8 | 80% | 0.796 | 84% | 0.84 | S | S | * | * | | | trans | -76.8 | 138 | 177.3 | -66.8 | 165.4 | 168.4 | 160.4 | -3.7 | 110.6 | | |
| 4 | G | 53.4 | Low | 50.3 | Low | 87 Ų | 87 | 126.8 Ų | 126.8 | 90% | 0.897 | 84% | 0.839 | S | S | * | * | | | trans | -108.8 | 97.2 | 154.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 5 | K | 62.7 | Low | 50.7 | Low | 182 Ų | 182 | 122.2 Ų | 122.2 | 79% | 0.791 | 82% | 0.823 | S | S | * | * | | | trans | -111.1 | 117.2 | 174.7 | -149.1 | 158 | -175.8 | 175.1 | 0 | 105.2 | | |
| 6 | S | 50.4 | Low | 50.7 | Low | 127 Ų | 127 | 122.4 Ų | 122.4 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | | | trans | -131.6 | 116.3 | 160.9 | -65.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 7 | A | 45.2 | Very low | 50.8 | Low | 88 Ų | 88 | 118 Ų | 118 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | | | trans | -77.1 | 165.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 8 | S | 51.5 | Low | 50.9 | Low | 127 Ų | 127 | 119.7 Ų | 119.7 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | | | trans | 66.3 | 117 | 135.6 | -170.2 | 0 | 0 | 0 | 0 | 117.8 | | |
| 9 | G | 41.8 | Very low | 51.2 | Low | 77 Ų | 77 | 117.2 Ų | 117.2 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | | | trans | 148.1 | 118.5 | 140.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 10 | G | 43.7 | Very low | 51.6 | Low | 68 Ų | 68 | 121.9 Ų | 121.9 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | | | trans | 101.8 | 81.6 | 149.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | T12 | G10-T12 PolarHBondContact O-N 2.89Š|
| 11 | S | 54.1 | Low | 52.2 | Low | 127 Ų | 127 | 124.6 Ų | 124.6 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | | | trans | -55.5 | 106.2 | 148.8 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 12 | T | 48 | Very low | 53 | Low | 128 Ų | 128 | 118.6 Ų | 118.6 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | -118 | 118.1 | 157.2 | 49.5 | 0 | 0 | 0 | 0 | 105.9 | G10 A14 | G10-T12 PolarHBondContact O-N 2.89Å; T12-A14 PolarHBondContact O-N 2.95Å |
| 13 | A | 50.1 | Low | 53.9 | Low | 99 Ų | 99 | 117.9 Ų | 117.9 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -49.8 | 113.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | G15 | A13-G15 PolarHBondContact O-N 3.16Š|
| 14 | A | 44.4 | Very low | 54 | Low | 101 Ų | 101 | 113 Ų | 113 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 116.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | T12 | T12-A14 PolarHBondContact O-N 2.95Š|
| 15 | G | 56.2 | Low | 54.6 | Low | 58 Ų | 58 | 112.7 Ų | 112.7 | 60% | 0.598 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 152.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | A13 G17 | A13-G15 PolarHBondContact O-N 3.16Å; G15-G17 PolarHBondContact O-N 3.09Å; G15-G17 VanDerWaalsContact O-N 3.1Å |
| 16 | P | 51.8 | Low | 55.1 | Low | 125 Ų | 125 | 115.3 Ų | 115.3 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 120.5 | -178.9 | 15.2 | -19.1 | 0 | 0 | 0 | 109.9 | | |
| 17 | G | 52.1 | Low | 56.5 | Low | 48 Ų | 48 | 116.9 Ų | 116.9 | 50% | 0.495 | 75% | 0.748 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 166.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | G15 G19 | G15-G17 PolarHBondContact O-N 3.09Å; G15-G17 VanDerWaalsContact O-N 3.1Å; G17-G19 VanDerWaalsContact C-N 3.35Å; G17-G19 PolarHBondContact O-N 3.17Å |
| 18 | P | 52.7 | Low | 57.9 | Low | 148 Ų | 148 | 119.6 Ų | 119.6 | 96% | 0.961 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 87.7 | -174.1 | 30.6 | -32.7 | 0 | 0 | 0 | 109.9 | | |
| 19 | G | 56.3 | Low | 58.9 | Low | 72 Ų | 72 | 125.2 Ų | 125.2 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 178.5 | 6.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | G17 | G17-G19 VanDerWaalsContact C-N 3.35Å; G17-G19 PolarHBondContact O-N 3.17Å |
| 20 | R | 58.8 | Low | 60.2 | Low | 212 Ų | 212 | 127.1 Ų | 127.1 | 80% | 0.8 | 75% | 0.746 | S | S | * | * | | | trans | -126.5 | 83.9 | -178.3 | -69.2 | -178.8 | 147.1 | -90.3 | -3.2 | 110.5 | T22 | R20-T22 PolarHBondContact O-N 3.34Š|
| 21 | Q | 64.3 | Low | 61.1 | Low | 179 Ų | 179 | 128.5 Ų | 128.5 | 84% | 0.836 | 75% | 0.751 | S | S | * | * | | | trans | -70.1 | 107.8 | 165.4 | -68.4 | -177 | 5 | 0 | 0 | 108.8 | V23 | Q21-V23 VanDerWaalsContact C-N 3.34Å; Q21-V23 HydrophobicContact CB-CG2 4.2Å; Q21-V23 PolarHBondContact O-N 2.76Å |
| 22 | T | 63.3 | Low | 61.2 | Low | 99 Ų | 99 | 125.2 Ų | 125.2 | 61% | 0.607 | 74% | 0.737 | S | S | * | * | | | trans | -85.3 | 81.1 | 167 | 43.1 | 0 | 0 | 0 | 0 | 108.9 | R20 L24 S25 | R20-T22 PolarHBondContact O-N 3.34Å; T22-L24 PolarHBondContact O-N 3Å; T22-S25 PolarHBondContact O-N 2.94Å; T22-S25 VanDerWaalsContact O-N 3.11Å; T22-S25 PolarHBondContact O-OG 3.35Å |
| 23 | V | 69.2 | Low | 61.7 | Low | 113 Ų | 113 | 124.4 Ų | 124.4 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -12.2 | 177.2 | -169.6 | 0 | 0 | 0 | 0 | 112 | Q21 | Q21-V23 VanDerWaalsContact C-N 3.34Å; Q21-V23 HydrophobicContact CB-CG2 4.2Å; Q21-V23 PolarHBondContact O-N 2.76Å |
| 24 | L | 64.1 | Low | 61.7 | Low | 109 Ų | 109 | 127.6 Ų | 127.6 | 57% | 0.571 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | 2.5 | -179.9 | -56.6 | 177.8 | 0 | 0 | 0 | 114.7 | T22 R26 F27 F28 | T22-L24 PolarHBondContact O-N 3Å; L24-R26 PolarHBondContact O-N 3.25Å; L24-R26 VanDerWaalsContact O-N 3.14Å; L24-F27 HydrophobicContact CD2-CD2 4.28Å; L24-F27 PolarHBondContact O-N 3.18Å; L24-F28 HydrophobicContact CB-CD2 4.27Å; L24-F28 HydrophobicContact CB-CE2 4.47Å; L24-F28 PolarHBondContact O-N 3.29Å |
| 25 | S | 66.8 | Low | 61.5 | Low | 80 Ų | 80 | 133.9 Ų | 133.9 | 56% | 0.559 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -19 | -176.7 | 66.5 | 0 | 0 | 0 | 0 | 114.3 | T22 | T22-S25 PolarHBondContact O-N 2.94Å; T22-S25 VanDerWaalsContact O-N 3.11Å; T22-S25 PolarHBondContact O-OG 3.35Å |
| 26 | R | 71.6 | Confident | 60.9 | Low | 236 Ų | 236 | 137.1 Ų | 137.1 | 89% | 0.891 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -20.3 | 172.2 | -84.4 | -177.1 | 173 | 104 | -1.5 | 114.2 | L24 | L24-R26 PolarHBondContact O-N 3.25Å; L24-R26 VanDerWaalsContact O-N 3.14Å |
| 27 | F | 80.5 | Confident | 60.2 | Low | 161 Ų | 161 | 136.9 Ų | 136.9 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -23.1 | -178.5 | -66.6 | -76.7 | 0 | 0 | 0 | 112.7 | L24 | L24-F27 HydrophobicContact CD2-CD2 4.28Å; L24-F27 PolarHBondContact O-N 3.18Å |
| 28 | F | 74.9 | Confident | 59.7 | Low | 145 Ų | 145 | 138.7 Ų | 138.7 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | | | trans | -126.2 | 111 | -178.8 | -58.9 | -78.8 | 0 | 0 | 0 | 109.8 | L24 S30 | L24-F28 HydrophobicContact CB-CD2 4.27Å; L24-F28 HydrophobicContact CB-CE2 4.47Å; L24-F28 PolarHBondContact O-N 3.29Å; F28-S30 PolarHBondContact O-N 3.38Å |
| 29 | R | 72.3 | Confident | 59 | Low | 245 Ų | 245 | 136.9 Ų | 136.9 | 93% | 0.925 | 76% | 0.757 | S | S | * | * | | | trans | -71.2 | 109.1 | 166.2 | -161.3 | 164.5 | 75.1 | -156.7 | 6.4 | 106.5 | A31 | R29-A31 PolarHBondContact O-N 3.25Š|
| 30 | S | 69.7 | Low | 58.1 | Low | 117 Ų | 117 | 138.5 Ų | 138.5 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | trans | -53.2 | 107.4 | 174.7 | -83.3 | 0 | 0 | 0 | 0 | 108.8 | F28 G32 | F28-S30 PolarHBondContact O-N 3.38Å; S30-G32 PolarHBondContact O-N 3.47Å; S30-G32 VanDerWaalsContact O-N 3.09Å |
| 31 | A | 62.2 | Low | 56.8 | Low | 97 Ų | 97 | 134.9 Ų | 134.9 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | | | trans | -64 | 112.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 105.6 | R29 S33 | R29-A31 PolarHBondContact O-N 3.25Å; A31-S33 PolarHBondContact O-N 3.08Å |
| 32 | G | 56.8 | Low | 55.4 | Low | 57 Ų | 57 | 134.2 Ų | 134.2 | 59% | 0.588 | 76% | 0.755 | S | S | * | * | | | trans | -47.9 | 137.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | S30 L34 | S30-G32 PolarHBondContact O-N 3.47Å; S30-G32 VanDerWaalsContact O-N 3.09Å; G32-L34 PolarHBondContact O-N 2.74Å |
| 33 | S | 57.6 | Low | 54.6 | Low | 111 Ų | 111 | 135 Ų | 135 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | | | trans | -47.5 | 101.1 | 175.4 | 168.1 | 0 | 0 | 0 | 0 | 110.4 | A31 R35 | A31-S33 PolarHBondContact O-N 3.08Å; S33-R35 VanDerWaalsContact C-N 3.3Å; S33-R35 PolarHBondContact O-N 3.39Å |
| 34 | L | 49.8 | Very low | 53 | Low | 167 Ų | 167 | 134.1 Ų | 134.1 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | | | trans | -70.8 | 91.1 | 171.3 | -65.1 | 177.5 | 0 | 0 | 0 | 107.8 | G32 S36 | G32-L34 PolarHBondContact O-N 2.74Å; L34-S36 PolarHBondContact O-N 2.88Å |
| 35 | R | 40.2 | Very low | 51.6 | Low | 232 Ų | 232 | 137 Ų | 137 | 88% | 0.875 | 78% | 0.777 | S | S | * | * | | | trans | -69.2 | 109.1 | 158.7 | -89 | -164.5 | 168.5 | -137.1 | -0.6 | 107.2 | S33 S37 | S33-R35 VanDerWaalsContact C-N 3.3Å; S33-R35 PolarHBondContact O-N 3.39Å; R35-S37 PolarHBondContact O-N 3.43Å |
| 36 | S | 43.5 | Very low | 50.5 | Low | 127 Ų | 127 | 143.4 Ų | 143.4 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | | | trans | -56.6 | 115.7 | 156.6 | -67.2 | 0 | 0 | 0 | 0 | 108.8 | L34 | L34-S36 PolarHBondContact O-N 2.88Š|
| 37 | S | 37.8 | Very low | 49 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | | | trans | -143.7 | 134 | 152.4 | -165.6 | 0 | 0 | 0 | 0 | 108.1 | R35 | R35-S37 PolarHBondContact O-N 3.43Š|
| 38 | A | 41.8 | Very low | 47.1 | Very low | 86 Ų | 86 | 135.8 Ų | 135.8 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | -76.4 | 158.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 39 | S | 37 | Very low | 45.2 | Very low | 110 Ų | 110 | 138 Ų | 138 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | | | trans | 73.3 | 126.6 | 148.6 | 64.4 | 0 | 0 | 0 | 0 | 123.2 | | |
| 40 | S | 37.8 | Very low | 43.5 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | | | trans | 68.5 | 114.6 | 144.6 | 68.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 41 | T | 31.1 | Very low | 42.1 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | | | | 160.9 | 111.4 | 105.4 | -63.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 42 | E | 35.7 | Very low | 41.8 | Very low | 166 Ų | 166 | 130.4 Ų | 130.4 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | trans | -75 | 166.6 | 161.5 | -84.7 | -79.7 | 140.9 | 0 | 0 | 109.7 | | |
| 43 | P | 46.9 | Very low | 41.7 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | | | cis | -143 | 164.9 | 24.8 | 38.1 | -17.5 | 0 | 0 | 0 | 117.6 | | |
| 44 | A | 34.3 | Very low | 41.5 | Very low | 94 Ų | 94 | 142.8 Ų | 142.8 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | | | trans | -166.4 | 120 | 138.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 45 | E | 35.8 | Very low | 41.6 | Very low | 171 Ų | 171 | 144.9 Ų | 144.9 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | | | trans | -64.7 | 141.5 | -172.3 | -57.8 | 166.4 | 127.9 | 0 | 0 | 115 | | |
| 46 | K | 43.7 | Very low | 42.4 | Very low | 213 Ų | 213 | 139.3 Ų | 139.3 | 93% | 0.926 | 79% | 0.788 | S | S | * | * | | | | -140.8 | 121.6 | 127.6 | -73.7 | -157.8 | -177.3 | -77.1 | 0 | 110.2 | | |
| 47 | V | 39.3 | Very low | 42.7 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 68% | 0.679 | 79% | 0.788 | S | S | * | * | | | trans | -98.2 | 122.3 | -174.3 | 163 | 0 | 0 | 0 | 0 | 108.9 | | |
| 48 | T | 41.1 | Very low | 42.6 | Very low | 126 Ų | 126 | 139 Ų | 139 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | | 142.6 | 143.5 | 117.3 | 35.5 | 0 | 0 | 0 | 0 | 107.1 | | |
| 49 | E | 35 | Very low | 43.1 | Very low | 192 Ų | 192 | 143 Ų | 143 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | | | cis | -168.8 | 148.2 | 48.4 | -170.6 | 164.1 | 158.2 | 0 | 0 | 112.5 | | |
| 50 | G | 36.4 | Very low | 43.4 | Very low | 70 Ų | 70 | 141.4 Ų | 141.4 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | | | trans | 92.5 | 86.7 | 150 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 51 | D | 39.6 | Very low | 44.2 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | | | | 93.7 | 122.2 | 62.7 | -170.5 | 47.7 | 0 | 0 | 0 | 114.8 | | |
| 52 | S | 56.1 | Low | 45.4 | Very low | 77 Ų | 77 | 139.2 Ų | 139.2 | 54% | 0.538 | 79% | 0.79 | S | S | . | * | | | trans | 27.3 | 118.8 | 159.6 | 74.7 | 0 | 0 | 0 | 0 | 121.1 | | |
| 53 | R | 55.5 | Low | 46 | Very low | 220 Ų | 220 | 137.8 Ų | 137.8 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | | | | -173 | 73.1 | 123.9 | -100.5 | 173.4 | -67.9 | -159.7 | 6.9 | 111.4 | | |
| 54 | K | 52.4 | Low | 46.4 | Very low | 209 Ų | 209 | 141.1 Ų | 141.1 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | | | trans | -81.9 | 115.2 | 144.7 | -71.3 | -158.6 | 179 | -166 | 0 | 107.2 | | |
| 55 | R | 53.4 | Low | 47.5 | Very low | 211 Ų | 211 | 146.1 Ų | 146.1 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | | | trans | -130.9 | 98.3 | 156.3 | -83.5 | -166.7 | -79.8 | 118.5 | -6.1 | 109 | | |
| 56 | S | 56.8 | Low | 48.4 | Very low | 115 Ų | 115 | 148 Ų | 148 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -57 | 133.3 | 149.9 | 46.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 57 | L | 49 | Very low | 49 | Very low | 169 Ų | 169 | 142.2 Ų | 142.2 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | | | trans | -155.5 | 123.4 | 152.3 | -162.7 | 56.8 | 0 | 0 | 0 | 109.9 | | |
| 58 | G | 36.8 | Very low | 49.7 | Very low | 70 Ų | 70 | 146.8 Ų | 146.8 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | | | trans | -65 | 144.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | G60 | G58-G60 PolarHBondContact O-N 2.84Å; G58-G60 VanDerWaalsContact O-N 3.14Å |
| 59 | N | 51.5 | Low | 49.7 | Very low | 171 Ų | 171 | 148.4 Ų | 148.4 | 91% | 0.914 | 80% | 0.799 | S | S | * | * | | | trans | -74.8 | 99.2 | 166.5 | -64 | -53.5 | 0 | 0 | 0 | 108.1 | | |
| 60 | G | 43.5 | Very low | 50.3 | Low | 75 Ų | 75 | 145 Ų | 145 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | trans | -67.3 | 138.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | G58 | G58-G60 PolarHBondContact O-N 2.84Å; G58-G60 VanDerWaalsContact O-N 3.14Å |
| 61 | G | 54.1 | Low | 50.7 | Low | 64 Ų | 64 | 147.4 Ų | 147.4 | 66% | 0.66 | 79% | 0.794 | S | S | * | * | | | trans | -67.5 | -170.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 62 | P | 56.7 | Low | 50.8 | Low | 133 Ų | 133 | 148.7 Ų | 148.7 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | trans | -84.8 | 128.1 | -155.7 | 32.8 | -33.3 | 0 | 0 | 0 | 113.2 | | |
| 63 | T | 49.1 | Very low | 50.2 | Low | 135 Ų | 135 | 154.7 Ų | 154.7 | 83% | 0.828 | 81% | 0.812 | S | S | * | * | | | trans | -116 | 99.6 | 178.7 | 49.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 64 | K | 54.3 | Low | 49.7 | Very low | 185 Ų | 185 | 153 Ų | 153 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | trans | 40.6 | 122.1 | 137.2 | -61 | -169 | 179 | 177.8 | 0 | 121.3 | | |
| 65 | K | 57.1 | Low | 49.3 | Very low | 200 Ų | 200 | 151.1 Ų | 151.1 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | | | | 67 | 121.9 | 128.3 | -70.1 | -175 | 173.1 | -175.4 | 0 | 119.6 | | |
| 66 | K | 55.2 | Low | 49.1 | Very low | 209 Ų | 209 | 148.9 Ų | 148.9 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | | | | -157.5 | 131 | 114.9 | -158.1 | 172.2 | -177.9 | 177.8 | 0 | 111.4 | | |
| 67 | A | 56.8 | Low | 48.5 | Very low | 93 Ų | 93 | 149.8 Ų | 149.8 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | trans | -93.4 | 143.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 68 | R | 53.9 | Low | 47.9 | Very low | 208 Ų | 208 | 148.1 Ų | 148.1 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | trans | -169.5 | 110.5 | 144.9 | -154.2 | 166.6 | 179.8 | -101.5 | 5.5 | 114 | | |
| 69 | K | 40.5 | Very low | 48.2 | Very low | 159 Ų | 159 | 149.8 Ų | 149.8 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | | | trans | 69.6 | 113.9 | 137.1 | -62 | 174.9 | -169.1 | -159.4 | 0 | 122.3 | | |
| 70 | V | 48.8 | Very low | 47.8 | Very low | 120 Ų | 120 | 148.9 Ų | 148.9 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | trans | -60.5 | 144.3 | 142 | 171.9 | 0 | 0 | 0 | 0 | 110.1 | E72 | V70-E72 HydrophobicContact CG1-CG 3.98Å; V70-E72 VanDerWaalsContact CG1-N 3.34Å |
| 71 | P | 44 | Very low | 47.7 | Very low | 122 Ų | 122 | 148.9 Ų | 148.9 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | | | | -126.8 | 128.3 | 121.1 | 24.8 | -10 | 0 | 0 | 0 | 111.1 | | |
| 72 | E | 40.8 | Very low | 47.3 | Very low | 177 Ų | 177 | 149.6 Ų | 149.6 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | | | trans | -62.4 | 132.4 | 162 | -68.9 | 170.9 | 151.7 | 0 | 0 | 108.7 | V70 | V70-E72 HydrophobicContact CG1-CG 3.98Å; V70-E72 VanDerWaalsContact CG1-N 3.34Å |
| 73 | K | 45 | Very low | 46.6 | Very low | 204 Ų | 204 | 152.1 Ų | 152.1 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | | | trans | -138.7 | 138.1 | 147.1 | -84.8 | -159.9 | 173.4 | -173.7 | 0 | 108.5 | | |
| 74 | E | 44.4 | Very low | 46.7 | Very low | 183 Ų | 183 | 152.5 Ų | 152.5 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | | | trans | -69.2 | 166.4 | -165.8 | -65.9 | 153.2 | 134.9 | 0 | 0 | 113.8 | | |
| 75 | E | 43.8 | Very low | 46.6 | Very low | 171 Ų | 171 | 149.5 Ų | 149.5 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | | | trans | 91.5 | 94 | 146.7 | -142.6 | 166 | -176.7 | 0 | 0 | 117.9 | | |
| 76 | E | 49.4 | Very low | 46.5 | Very low | 164 Ų | 164 | 147.5 Ų | 147.5 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | | | | 52.1 | 86.6 | 128.2 | -164.7 | 179.3 | 179 | 0 | 0 | 118 | | |
| 77 | N | 43.4 | Very low | 46.9 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | | | trans | -171.4 | 136.8 | 131.1 | -131.5 | -129.5 | 0 | 0 | 0 | 112.7 | | |
| 78 | I | 36 | Very low | 47.1 | Very low | 134 Ų | 134 | 146.4 Ų | 146.4 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | | | trans | 88.1 | 104.3 | 147.8 | -49.2 | 146.9 | 0 | 0 | 0 | 116.8 | | |
| 79 | S | 44.2 | Very low | 47.6 | Very low | 104 Ų | 104 | 145.6 Ų | 145.6 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | trans | 50.8 | 118.7 | 133.6 | -46.9 | 0 | 0 | 0 | 0 | 118.3 | A81 | S79-A81 PolarHBondContact O-N 3.47Š|
| 80 | V | 42.2 | Very low | 48.4 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 92% | 0.921 | 77% | 0.767 | S | S | * | * | | | trans | -50.8 | 86.2 | 162.3 | 178.1 | 0 | 0 | 0 | 0 | 110 | A82 | V80-A82 PolarHBondContact O-N 3.47Š|
| 81 | A | 41.5 | Very low | 49.1 | Very low | 76 Ų | 76 | 145.5 Ų | 145.5 | 63% | 0.628 | 78% | 0.776 | S | S | * | * | | | trans | -80 | 100.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | S79 H83 | S79-A81 PolarHBondContact O-N 3.47Å; A81-H83 VanDerWaalsContact C-N 3.34Å; A81-H83 PolarHBondContact O-N 3.15Å |
| 82 | A | 46.8 | Very low | 50 | Low | 78 Ų | 78 | 149.5 Ų | 149.5 | 65% | 0.645 | 78% | 0.776 | S | S | * | * | | | trans | -55.8 | 102.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | V80 H84 | V80-A82 PolarHBondContact O-N 3.47Å; A82-H84 PolarHBondContact O-N 2.85Å; A82-H84 PolarHBondContact O-ND1 2.92Å |
| 83 | H | 42.2 | Very low | 51.2 | Low | 186 Ų | 186 | 144.9 Ų | 144.9 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | | | trans | -61.7 | 88.5 | 169.2 | -85.4 | -81.1 | 0 | 0 | 0 | 108.8 | A81 | A81-H83 VanDerWaalsContact C-N 3.34Å; A81-H83 PolarHBondContact O-N 3.15Å |
| 84 | H | 51.1 | Low | 52.1 | Low | 144 Ų | 144 | 145.8 Ų | 145.8 | 67% | 0.667 | 76% | 0.759 | S | S | * | * | | | trans | -75.6 | 125.6 | 155.4 | 51.9 | -69.4 | 0 | 0 | 0 | 105.9 | A82 E86 | A82-H84 PolarHBondContact O-N 2.85Å; A82-H84 PolarHBondContact O-ND1 2.92Å; H84-E86 PolarHBondContact O-N 3.44Å |
| 85 | P | 50.7 | Low | 52.9 | Low | 121 Ų | 121 | 143.8 Ų | 143.8 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | | | trans | -61.9 | 116 | 168 | 25.7 | -30 | 0 | 0 | 0 | 106.2 | A87 | P85-A87 PolarHBondContact O-N 3.48Š|
| 86 | E | 56.9 | Low | 53.7 | Low | 158 Ų | 158 | 138.4 Ų | 138.4 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | | | trans | -45.2 | 115.6 | 178 | -72.3 | -172.4 | 149.1 | 0 | 0 | 109.1 | H84 K88 | H84-E86 PolarHBondContact O-N 3.44Å; E86-K88 PolarHBondContact O-N 3.46Å |
| 87 | A | 62.3 | Low | 54.7 | Low | 89 Ų | 89 | 136 Ų | 136 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | | | trans | -60.5 | 114.2 | 175 | 0 | 0 | 0 | 0 | 0 | 106.8 | P85 K89 | P85-A87 PolarHBondContact O-N 3.48Å; A87-K89 PolarHBondContact O-N 3.3Å |
| 88 | K | 60.5 | Low | 56.4 | Low | 191 Ų | 191 | 137.3 Ų | 137.3 | 83% | 0.83 | 72% | 0.722 | S | S | * | * | | | trans | -41.2 | 118.7 | 175.7 | -66.3 | 176.9 | -178.9 | 178.7 | 0 | 107.6 | E86 C90 | E86-K88 PolarHBondContact O-N 3.46Å; K88-C90 PolarHBondContact O-N 2.87Å |
| 89 | K | 64.5 | Low | 58.7 | Low | 190 Ų | 190 | 134.2 Ų | 134.2 | 83% | 0.826 | 71% | 0.713 | S | S | * | * | | | trans | -62.2 | 83.5 | -178 | -59.4 | 174.5 | -172.6 | 175.4 | 0 | 108.2 | A87 L91 | A87-K89 PolarHBondContact O-N 3.3Å; K89-L91 PolarHBondContact O-N 3.28Å |
| 90 | C | 58.5 | Low | 60.5 | Low | 102 Ų | 102 | 133.6 Ų | 133.6 | 69% | 0.689 | 70% | 0.701 | S | S | * | * | | | trans | -61 | 126.1 | 164.3 | -65.3 | 0 | 0 | 0 | 0 | 105 | K88 R92 | K88-C90 PolarHBondContact O-N 2.87Å; C90-R92 HydrophobicContact CB-CB 4.31Å; C90-R92 PolarHBondContact O-N 3.12Å |
| 91 | L | 63.4 | Low | 62.5 | Low | 175 Ų | 175 | 133.2 Ų | 133.2 | 92% | 0.916 | 69% | 0.689 | S | S | * | * | | | trans | -67.7 | 52.6 | 169.2 | -64.1 | 171.8 | 0 | 0 | 0 | 109.5 | K89 | K89-L91 PolarHBondContact O-N 3.28Š|
| 92 | R | 63.3 | Low | 64.5 | Low | 207 Ų | 207 | 136.9 Ų | 136.9 | 78% | 0.781 | 69% | 0.69 | S | S | * | * | | | trans | -74.5 | 126.2 | -175.8 | -157.2 | 166.9 | -177.4 | 157.3 | -0.6 | 107 | C90 | C90-R92 HydrophobicContact CB-CB 4.31Å; C90-R92 PolarHBondContact O-N 3.12Å |
| 93 | P | 65.8 | Low | 66.3 | Low | 80 Ų | 80 | 137.6 Ų | 137.6 | 52% | 0.519 | 68% | 0.683 | S | S | . | * | | | trans | -76.5 | 148.1 | -151.2 | -14.3 | 30.6 | 0 | 0 | 0 | 111.5 | I95 V96 | P93-I95 PolarHBondContact O-N 3.48Å; P93-V96 PolarHBondContact O-N 2.96Å; P93-V96 VanDerWaalsContact O-N 3.11Å |
| 94 | R | 64.2 | Low | 68.1 | Low | 222 Ų | 222 | 135.9 Ų | 135.9 | 84% | 0.838 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -43.4 | -13 | 178.1 | -62.1 | 172.6 | 177.4 | 178.8 | -2.7 | 116.3 | V96 L97 | R94-V96 VanDerWaalsContact C-N 3.33Å; R94-L97 PolarHBondContact O-N 2.9Å |
| 95 | I | 59.8 | Low | 69.6 | Low | 142 Ų | 142 | 135.5 Ų | 135.5 | 73% | 0.728 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -69 | -29.8 | 178.5 | -56.4 | 170.2 | 0 | 0 | 0 | 111.8 | P93 L97 | P93-I95 PolarHBondContact O-N 3.48Å; I95-L97 PolarHBondContact O-N 2.79Å |
| 96 | V | 60.5 | Low | 70.9 | Confident | 57 Ų | 57 | 137.9 Ų | 137.9 | 35% | 0.345 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -70.5 | -22.8 | 178.8 | -177.4 | 0 | 0 | 0 | 0 | 111.6 | P93 R94 S99 L100 | P93-V96 PolarHBondContact O-N 2.96Å; P93-V96 VanDerWaalsContact O-N 3.11Å; R94-V96 VanDerWaalsContact C-N 3.33Å; V96-S99 PolarHBondContact O-OG 3.15Å; V96-L100 HydrophobicContact CG1-CD1 3.55Å; V96-L100 HydrophobicContact CG1-CG 3.75Å; V96-L100 VanDerWaalsContact O-CB 3.24Å; V96-L100 WeakPolarHBondContact O-CB 2.88Å; V96-L100 WeakPolarHBondContact O-CG 3.27Å; V96-L100 PolarHBondContact O-N 2.93Å |
| 97 | L | 71.1 | Confident | 71.6 | Confident | 115 Ų | 115 | 135 Ų | 135 | 60% | 0.602 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -69.5 | -45.6 | -174.6 | -61.9 | 176.6 | 0 | 0 | 0 | 112.4 | R94 I95 S99 L100 E101 | R94-L97 PolarHBondContact O-N 2.9Å; I95-L97 PolarHBondContact O-N 2.79Å; L97-S99 PolarHBondContact O-N 3.13Å; L97-L100 PolarHBondContact O-N 3.24Å; L97-E101 WeakPolarHBondContact O-CB 3.38Å; L97-E101 PolarHBondContact O-N 2.78Å |
| 98 | K | 79.3 | Confident | 71.8 | Confident | 161 Ų | 161 | 135 Ų | 135 | 70% | 0.7 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -67.4 | -37.5 | -179.9 | -68 | -175.2 | 177.4 | -177.7 | 0 | 112.5 | K102 | K98-K102 WeakPolarHBondContact O-CG 3.44Å; K98-K102 PolarHBondContact O-N 2.96Å |
| 99 | S | 83.1 | Confident | 71.9 | Confident | 69 Ų | 69 | 131.6 Ų | 131.6 | 48% | 0.483 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -70.9 | -36.5 | 175.8 | 55.4 | 0 | 0 | 0 | 0 | 112.1 | V96 L97 K102 L103 | V96-S99 PolarHBondContact O-OG 3.15Å; L97-S99 PolarHBondContact O-N 3.13Å; S99-K102 PolarHBondContact O-N 3.43Å; S99-L103 WeakPolarHBondContact O-CB 3.29Å; S99-L103 PolarHBondContact O-N 2.98Å |
| 100 | L | 83.5 | Confident | 71.9 | Confident | 91 Ų | 91 | 128 Ų | 128 | 48% | 0.476 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -69.2 | -37.3 | 176.4 | -76.1 | -179.7 | 0 | 0 | 0 | 112.2 | V96 L97 L103 K104 | V96-L100 HydrophobicContact CG1-CD1 3.55Å; V96-L100 HydrophobicContact CG1-CG 3.75Å; V96-L100 VanDerWaalsContact O-CB 3.24Å; V96-L100 WeakPolarHBondContact O-CB 2.88Å; V96-L100 WeakPolarHBondContact O-CG 3.27Å; V96-L100 PolarHBondContact O-N 2.93Å; L97-L100 PolarHBondContact O-N 3.24Å; L100-L103 HydrophobicContact CD2-CD2 4.35Å; L100-L103 PolarHBondContact O-N 3.35Å; L100-K104 PolarHBondContact O-N 3.49Å |
| 101 | E | 82.4 | Confident | 72.2 | Confident | 143 Ų | 143 | 126.6 Ų | 126.6 | 67% | 0.668 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -61.8 | -45.3 | 173.7 | -174.3 | 171.3 | -150.7 | 0 | 0 | 111.3 | L97 L103 K104 E105 | L97-E101 WeakPolarHBondContact O-CB 3.38Å; L97-E101 PolarHBondContact O-N 2.78Å; E101-L103 PolarHBondContact O-N 3.44Å; E101-K104 WeakPolarHBondContact O-CB 3.47Å; E101-K104 PolarHBondContact O-N 3.24Å; E101-E105 PolarHBondContact O-N 3.21Å; E101-E105 VanDerWaalsContact O-N 3.16Å |
| 102 | K | 83.8 | Confident | 72.1 | Confident | 153 Ų | 153 | 125.7 Ų | 125.7 | 67% | 0.665 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -64.5 | -36.6 | 173.1 | -72.3 | -172 | 175 | -168.4 | 0 | 113.5 | K98 S99 K104 E105 F106 | K98-K102 WeakPolarHBondContact O-CG 3.44Å; K98-K102 PolarHBondContact O-N 2.96Å; S99-K102 PolarHBondContact O-N 3.43Å; K102-K104 VanDerWaalsContact C-N 3.3Å; K102-E105 WeakPolarHBondContact O-CB 3.33Å; K102-E105 PolarHBondContact O-N 3.38Å; K102-F106 PolarHBondContact O-N 3.25Å |
| 103 | L | 84.7 | Confident | 72 | Confident | 94 Ų | 94 | 120.3 Ų | 120.3 | 49% | 0.492 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -66.1 | -36.4 | 176 | -177.5 | 61.7 | 0 | 0 | 0 | 111.3 | S99 L100 E101 E105 F106 C107 | S99-L103 WeakPolarHBondContact O-CB 3.29Å; S99-L103 PolarHBondContact O-N 2.98Å; L100-L103 HydrophobicContact CD2-CD2 4.35Å; L100-L103 PolarHBondContact O-N 3.35Å; E101-L103 PolarHBondContact O-N 3.44Å; L103-E105 VanDerWaalsContact C-N 3.35Å; L103-F106 PolarHBondContact O-N 3.4Å; L103-C107 PolarHBondContact O-N 2.83Å; L103-C107 PolarHBondContact O-SG 2.96Å |
| 104 | K | 81.4 | Confident | 71.8 | Confident | 149 Ų | 149 | 125.7 Ų | 125.7 | 65% | 0.648 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -62.2 | -43.1 | 173.7 | -176.3 | -174 | 173.4 | -171.6 | 0 | 111.1 | L100 E101 K102 C107 C108 | L100-K104 PolarHBondContact O-N 3.49Å; E101-K104 WeakPolarHBondContact O-CB 3.47Å; E101-K104 PolarHBondContact O-N 3.24Å; K102-K104 VanDerWaalsContact C-N 3.3Å; K104-C107 PolarHBondContact O-N 2.99Å; K104-C108 WeakPolarHBondContact O-CB 3.32Å; K104-C108 PolarHBondContact O-N 3.48Å; K104-C108 PolarHBondContact O-SG 3.18Å |
| 105 | E | 81.9 | Confident | 71.6 | Confident | 137 Ų | 137 | 122.3 Ų | 122.3 | 64% | 0.64 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -59.3 | -47.4 | 174.6 | -168.6 | 173.4 | -166.6 | 0 | 0 | 110.9 | E101 K102 L103 C107 C108 D109 | E101-E105 PolarHBondContact O-N 3.21Å; E101-E105 VanDerWaalsContact O-N 3.16Å; K102-E105 WeakPolarHBondContact O-CB 3.33Å; K102-E105 PolarHBondContact O-N 3.38Å; L103-E105 VanDerWaalsContact C-N 3.35Å; E105-C107 VanDerWaalsContact C-N 3.29Å; E105-C107 PolarHBondContact O-N 3.3Å; E105-C108 PolarHBondContact O-N 2.91Å; E105-D109 WeakPolarHBondContact O-CB 3.34Å; E105-D109 PolarHBondContact O-N 3.27Å |
| 106 | F | 77.6 | Confident | 71.6 | Confident | 170 Ų | 170 | 126.2 Ų | 126.2 | 75% | 0.746 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -62 | -31.5 | 178.1 | -166.6 | -95.6 | 0 | 0 | 0 | 114.1 | K102 L103 | K102-F106 PolarHBondContact O-N 3.25Å; L103-F106 PolarHBondContact O-N 3.4Å |
| 107 | C | 72.3 | Confident | 71.7 | Confident | 99 Ų | 99 | 128.2 Ų | 128.2 | 67% | 0.669 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -84.4 | -23.4 | 178 | -66.5 | 0 | 0 | 0 | 0 | 113.7 | L103 K104 E105 | L103-C107 PolarHBondContact O-N 2.83Å; L103-C107 PolarHBondContact O-SG 2.96Å; K104-C107 PolarHBondContact O-N 2.99Å; E105-C107 VanDerWaalsContact C-N 3.29Å; E105-C107 PolarHBondContact O-N 3.3Å |
| 108 | C | 66.6 | Low | 71.1 | Confident | 87 Ų | 87 | 129.5 Ų | 129.5 | 59% | 0.588 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -95.3 | -11.9 | -179.9 | -67.5 | 0 | 0 | 0 | 0 | 113.2 | K104 E105 S110 | K104-C108 WeakPolarHBondContact O-CB 3.32Å; K104-C108 PolarHBondContact O-N 3.48Å; K104-C108 PolarHBondContact O-SG 3.18Å; E105-C108 PolarHBondContact O-N 2.91Å; C108-S110 PolarHBondContact O-N 3.41Å |
| 109 | D | 62.6 | Low | 70 | Confident | 121 Ų | 121 | 126 Ų | 126 | 65% | 0.647 | 66% | 0.662 | S | S | * | * | | | trans | -72.6 | 78.4 | 173.4 | -140.9 | 3.3 | 0 | 0 | 0 | 109.1 | E105 A111 | E105-D109 WeakPolarHBondContact O-CB 3.34Å; E105-D109 PolarHBondContact O-N 3.27Å; D109-A111 PolarHBondContact O-N 2.79Å |
| 110 | S | 63.4 | Low | 68.8 | Low | 113 Ų | 113 | 129 Ų | 129 | 79% | 0.79 | 67% | 0.668 | S | S | * | * | | | trans | -73 | 34.7 | 174.7 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | C108 L112 | C108-S110 PolarHBondContact O-N 3.41Å; S110-L112 PolarHBondContact O-N 3.38Å |
| 111 | A | 65.6 | Low | 67.5 | Low | 74 Ų | 74 | 127.1 Ų | 127.1 | 61% | 0.612 | 67% | 0.666 | S | S | * | * | | | trans | -60.1 | 103.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 107 | D109 P113 | D109-A111 PolarHBondContact O-N 2.79Å; A111-P113 VanDerWaalsContact O-N 3.14Å |
| 112 | L | 61.1 | Low | 66.2 | Low | 156 Ų | 156 | 123.7 Ų | 123.7 | 82% | 0.817 | 65% | 0.652 | S | S | * | * | | | trans | -48.3 | 126 | 173 | -81.3 | 165.5 | 0 | 0 | 0 | 107 | S110 Q114 | S110-L112 PolarHBondContact O-N 3.38Å; L112-Q114 PolarHBondContact O-N 2.83Å |
| 113 | P | 61.2 | Low | 64.9 | Low | 94 Ų | 94 | 124.8 Ų | 124.8 | 61% | 0.61 | 65% | 0.652 | S | S | * | * | | | trans | -55 | 109.2 | -177.6 | 20.1 | -30.9 | 0 | 0 | 0 | 107.8 | A111 N115 R116 | A111-P113 VanDerWaalsContact O-N 3.14Å; P113-N115 PolarHBondContact O-N 2.89Å; P113-R116 PolarHBondContact O-N 2.9Å; P113-R116 VanDerWaalsContact O-N 3.15Å |
| 114 | Q | 60.9 | Low | 63.7 | Low | 193 Ų | 193 | 129 Ų | 129 | 90% | 0.902 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 12.6 | -179.9 | -159.8 | 171.5 | 1.7 | 0 | 0 | 112.1 | L112 | L112-Q114 PolarHBondContact O-N 2.83Š|
| 115 | N | 60.7 | Low | 62.5 | Low | 151 Ų | 151 | 132 Ų | 132 | 81% | 0.807 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -5.2 | 176.4 | -110.4 | -69.8 | 0 | 0 | 0 | 113.2 | P113 V117 | P113-N115 PolarHBondContact O-N 2.89Å; N115-V117 PolarHBondContact O-N 3.18Å; N115-V117 VanDerWaalsContact O-N 3.13Å |
| 116 | R | 59.4 | Low | 61.6 | Low | 223 Ų | 223 | 130.9 Ų | 130.9 | 84% | 0.842 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -78 | 98.1 | 161.4 | -90.9 | -175.4 | 174 | 170.3 | -1 | 107.6 | P113 Q118 | P113-R116 PolarHBondContact O-N 2.9Å; P113-R116 VanDerWaalsContact O-N 3.15Å; R116-Q118 PolarHBondContact O-N 3.48Å; R116-Q118 VanDerWaalsContact O-N 3.12Å |
| 117 | V | 62.7 | Low | 61 | Low | 100 Ų | 100 | 131.3 Ų | 131.3 | 61% | 0.606 | 68% | 0.679 | S | S | * | * | | | trans | -28.7 | 116.5 | 166.2 | 172.9 | 0 | 0 | 0 | 0 | 109.3 | N115 T119 L122 | N115-V117 PolarHBondContact O-N 3.18Å; N115-V117 VanDerWaalsContact O-N 3.13Å; V117-T119 PolarHBondContact O-N 3.27Å; V117-T119 PolarHBondContact O-OG1 3.26Å; V117-L122 HydrophobicContact CG1-CD1 3.35Å |
| 118 | Q | 58.6 | Low | 60.9 | Low | 142 Ų | 142 | 132.3 Ų | 132.3 | 66% | 0.664 | 68% | 0.682 | S | S | * | * | | | trans | -62.7 | 98.7 | 176.8 | -71.2 | -173.1 | 19.4 | 0 | 0 | 108.5 | R116 E120 | R116-Q118 PolarHBondContact O-N 3.48Å; R116-Q118 VanDerWaalsContact O-N 3.12Å; Q118-E120 PolarHBondContact O-N 3.33Å |
| 119 | T | 57.7 | Low | 61.1 | Low | 86 Ų | 86 | 134.6 Ų | 134.6 | 53% | 0.528 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -60.4 | -32.3 | -179.1 | -47.6 | 0 | 0 | 0 | 0 | 111.7 | V117 L122 R123 | V117-T119 PolarHBondContact O-N 3.27Å; V117-T119 PolarHBondContact O-OG1 3.26Å; T119-L122 PolarHBondContact O-N 2.97Å; T119-R123 PolarHBondContact O-N 3.18Å |
| 120 | E | 56.9 | Low | 61.8 | Low | 132 Ų | 132 | 134.1 Ų | 134.1 | 62% | 0.617 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -70.3 | -38 | -175.2 | -111.4 | 54.6 | -134.5 | 0 | 0 | 113.8 | Q118 L122 R123 | Q118-E120 PolarHBondContact O-N 3.33Å; E120-L122 VanDerWaalsContact C-N 3.33Å; E120-R123 IonicContact OE1-CZ 3.97Å; E120-R123 IonicContact OE1-NH1 2.9Å; E120-R123 PolarHBondContact OE1-NH1 3.01Å |
| 121 | A | 56.7 | Low | 62.4 | Low | 52 Ų | 52 | 139.1 Ų | 139.1 | 43% | 0.43 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -80.1 | -16.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 122 | L | 54.6 | Low | 62.7 | Low | 72 Ų | 72 | 138.9 Ų | 138.9 | 38% | 0.377 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -84.9 | -29.7 | 178.3 | -111.6 | 166 | 0 | 0 | 0 | 112.4 | V117 T119 E120 E124 R125 L126 | V117-L122 HydrophobicContact CG1-CD1 3.35Å; T119-L122 PolarHBondContact O-N 2.97Å; E120-L122 VanDerWaalsContact C-N 3.33Å; L122-E124 PolarHBondContact O-N 3.04Å; L122-R125 PolarHBondContact O-N 3.2Å; L122-R125 VanDerWaalsContact O-N 3.09Å; L122-L126 HydrophobicContact CD2-CD2 3.79Å; L122-L126 HydrophobicContact CD2-CG 3.94Å; L122-L126 VanDerWaalsContact O-CG 3.27Å; L122-L126 WeakPolarHBondContact O-CG 3.11Å; L122-L126 PolarHBondContact O-N 3.49Å |
| 123 | R | 57.5 | Low | 63.1 | Low | 176 Ų | 176 | 136.6 Ų | 136.6 | 66% | 0.664 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -32.5 | 178.5 | -83.7 | -178.9 | 169.6 | 158.9 | -7.4 | 113.5 | T119 E120 | T119-R123 PolarHBondContact O-N 3.18Å; E120-R123 IonicContact OE1-CZ 3.97Å; E120-R123 IonicContact OE1-NH1 2.9Å; E120-R123 PolarHBondContact OE1-NH1 3.01Å |
| 124 | E | 57.8 | Low | 64.1 | Low | 183 Ų | 183 | 135.7 Ų | 135.7 | 86% | 0.855 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -18.7 | -179.1 | -158.4 | 175.5 | -162.4 | 0 | 0 | 113 | L122 | L122-E124 PolarHBondContact O-N 3.04Š|
| 125 | R | 57.2 | Low | 64.9 | Low | 210 Ų | 210 | 133.2 Ų | 133.2 | 79% | 0.792 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.8 | -1 | -176.6 | -70 | -176.7 | 172.9 | 174.3 | -1.2 | 114.8 | L122 E127 | L122-R125 PolarHBondContact O-N 3.2Å; L122-R125 VanDerWaalsContact O-N 3.09Å; R125-E127 PolarHBondContact O-N 3.29Å |
| 126 | L | 62.1 | Low | 66.1 | Low | 115 Ų | 115 | 132.5 Ų | 132.5 | 60% | 0.602 | 65% | 0.646 | S | S | * | * | | | trans | -72.6 | 83.1 | 164.2 | -70.5 | 171.5 | 0 | 0 | 0 | 106.9 | L122 V128 | L122-L126 HydrophobicContact CD2-CD2 3.79Å; L122-L126 HydrophobicContact CD2-CG 3.94Å; L122-L126 VanDerWaalsContact O-CG 3.27Å; L122-L126 WeakPolarHBondContact O-CG 3.11Å; L122-L126 PolarHBondContact O-N 3.49Å; L126-V128 PolarHBondContact O-N 2.91Å |
| 127 | E | 65.1 | Low | 67.4 | Low | 179 Ų | 179 | 126.6 Ų | 126.6 | 84% | 0.836 | 63% | 0.631 | S | S | * | * | | | trans | -44.9 | 115.2 | 158.4 | -71.8 | 179.2 | 173.7 | 0 | 0 | 106.2 | R125 L129 | R125-E127 PolarHBondContact O-N 3.29Å; E127-L129 VanDerWaalsContact C-N 3.26Å; E127-L129 PolarHBondContact O-N 3.47Å |
| 128 | V | 71.2 | Confident | 68.6 | Low | 120 Ų | 120 | 125.5 Ų | 125.5 | 73% | 0.727 | 62% | 0.621 | S | S | * | * | | | trans | -60.2 | 101.2 | 177.6 | 171.2 | 0 | 0 | 0 | 0 | 105.1 | L126 | L126-V128 PolarHBondContact O-N 2.91Š|
| 129 | L | 70.8 | Confident | 70.1 | Confident | 135 Ų | 135 | 122.4 Ų | 122.4 | 71% | 0.707 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 139 | 177.7 | -134 | 112.5 | 0 | 0 | 0 | 107.1 | E127 R131 | E127-L129 VanDerWaalsContact C-N 3.26Å; E127-L129 PolarHBondContact O-N 3.47Å; L129-R131 PolarHBondContact O-N 3.05Å; L129-R131 VanDerWaalsContact O-N 3.16Å |
| 130 | P | 76.7 | Confident | 71.6 | Confident | 110 Ų | 110 | 122.7 Ų | 122.7 | 71% | 0.714 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -47 | 129.8 | 175.8 | -26.5 | 33.7 | 0 | 0 | 0 | 109 | C132 | P130-C132 PolarHBondContact O-N 3.32Š|
| 131 | R | 75.6 | Confident | 73.2 | Confident | 219 Ų | 219 | 121.1 Ų | 121.1 | 83% | 0.826 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -53 | 117.7 | -179.7 | -69.3 | -70 | -176.9 | 177 | -1.2 | 107.7 | L129 T133 | L129-R131 PolarHBondContact O-N 3.05Å; L129-R131 VanDerWaalsContact O-N 3.16Å; R131-T133 PolarHBondContact O-N 3.16Å; R131-T133 VanDerWaalsContact O-N 3.17Å |
| 132 | C | 71.4 | Confident | 74.8 | Confident | 68 Ų | 68 | 126.7 Ų | 126.7 | 46% | 0.459 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -60 | 122.9 | 176.5 | -54.5 | 0 | 0 | 0 | 0 | 107.8 | P130 D134 F135 | P130-C132 PolarHBondContact O-N 3.32Å; C132-D134 WeakPolarHBondContact CB-OD1 3.45Å; C132-D134 PolarHBondContact O-N 2.93Å; C132-F135 HydrophobicContact CB-CD2 4.15Å; C132-F135 HydrophobicContact CB-CE2 4.36Å |
| 133 | T | 71.2 | Confident | 76.6 | Confident | 108 Ų | 108 | 125.9 Ų | 125.9 | 66% | 0.663 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -12.6 | -178.3 | 55 | 0 | 0 | 0 | 0 | 112.3 | R131 F135 E136 D137 | R131-T133 PolarHBondContact O-N 3.16Å; R131-T133 VanDerWaalsContact O-N 3.17Å; T133-F135 VanDerWaalsContact C-N 3.28Å; T133-F135 PolarHBondContact O-N 3.32Å; T133-E136 PolarHBondContact O-N 3.3Å; T133-D137 PolarHBondContact O-N 3.25Å |
| 134 | D | 80.4 | Confident | 78.2 | Confident | 75 Ų | 75 | 122.3 Ų | 122.3 | 40% | 0.401 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -60.3 | -33.2 | 177.6 | 62 | -12.2 | 0 | 0 | 0 | 113.1 | C132 E136 D137 I138 | C132-D134 WeakPolarHBondContact CB-OD1 3.45Å; C132-D134 PolarHBondContact O-N 2.93Å; D134-E136 PolarHBondContact O-N 2.99Å; D134-D137 PolarHBondContact O-N 3.31Å; D134-I138 WeakPolarHBondContact O-CB 3.45Å; D134-I138 WeakPolarHBondContact O-CD1 3.39Å; D134-I138 WeakPolarHBondContact O-CG1 3.19Å; D134-I138 PolarHBondContact O-N 3.03Å |
| 135 | F | 79.1 | Confident | 79.5 | Confident | 141 Ų | 141 | 117.4 Ų | 117.4 | 62% | 0.618 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.6 | -40.1 | 178.2 | -77.8 | -83.2 | 0 | 0 | 0 | 112.5 | C132 T133 T139 | C132-F135 HydrophobicContact CB-CD2 4.15Å; C132-F135 HydrophobicContact CB-CE2 4.36Å; T133-F135 VanDerWaalsContact C-N 3.28Å; T133-F135 PolarHBondContact O-N 3.32Å; F135-T139 WeakPolarHBondContact O-CB 3.42Å; F135-T139 PolarHBondContact O-N 3.32Å; F135-T139 VanDerWaalsContact O-N 3.08Å; F135-T139 PolarHBondContact O-OG1 2.98Å |
| 136 | E | 84.8 | Confident | 80.9 | Confident | 137 Ų | 137 | 110 Ų | 110 | 64% | 0.64 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -72 | -41 | 177 | -67.1 | -54.8 | 127.6 | 0 | 0 | 111 | T133 D134 I138 T139 L140 | T133-E136 PolarHBondContact O-N 3.3Å; D134-E136 PolarHBondContact O-N 2.99Å; E136-I138 PolarHBondContact O-N 2.93Å; E136-T139 WeakPolarHBondContact O-CB 3.28Å; E136-T139 PolarHBondContact O-N 2.84Å; E136-T139 VanDerWaalsContact O-N 3.15Å; E136-L140 WeakPolarHBondContact O-CB 3.48Å; E136-L140 PolarHBondContact O-N 3.11Å |
| 137 | D | 86.3 | Confident | 81.7 | Confident | 99 Ų | 99 | 109.2 Ų | 109.2 | 53% | 0.529 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.8 | -43.2 | 177.5 | -68.8 | -26.7 | 0 | 0 | 0 | 111.8 | T133 D134 T139 L140 Q141 | T133-D137 PolarHBondContact O-N 3.25Å; D134-D137 PolarHBondContact O-N 3.31Å; D137-T139 VanDerWaalsContact C-N 3.3Å; D137-T139 PolarHBondContact O-N 2.97Å; D137-L140 PolarHBondContact O-N 3.36Å; D137-Q141 VanDerWaalsContact O-CB 3.29Å; D137-Q141 WeakPolarHBondContact O-CB 3.5Å; D137-Q141 PolarHBondContact O-N 3.49Å |
| 138 | I | 89.4 | Confident | 82.1 | Confident | 77 Ų | 77 | 105.6 Ų | 105.6 | 40% | 0.395 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.3 | -36.9 | 175.6 | -68 | 164.1 | 0 | 0 | 0 | 110.6 | D134 E136 Q141 R142 | D134-I138 WeakPolarHBondContact O-CB 3.45Å; D134-I138 WeakPolarHBondContact O-CD1 3.39Å; D134-I138 WeakPolarHBondContact O-CG1 3.19Å; D134-I138 PolarHBondContact O-N 3.03Å; E136-I138 PolarHBondContact O-N 2.93Å; I138-Q141 PolarHBondContact O-N 3.4Å; I138-R142 VanDerWaalsContact CG2-NH2 3.32Å; I138-R142 WeakPolarHBondContact O-CB 3.47Å; I138-R142 WeakPolarHBondContact O-CG 3.48Å; I138-R142 PolarHBondContact O-N 3.23Å |
| 139 | T | 90.1 | Very high | 81.6 | Confident | 77 Ų | 77 | 102.8 Ų | 102.8 | 47% | 0.472 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.3 | -46.1 | 177.7 | -61.4 | 0 | 0 | 0 | 0 | 110.9 | F135 E136 D137 Q141 R142 A143 | F135-T139 WeakPolarHBondContact O-CB 3.42Å; F135-T139 PolarHBondContact O-N 3.32Å; F135-T139 VanDerWaalsContact O-N 3.08Å; F135-T139 PolarHBondContact O-OG1 2.98Å; E136-T139 WeakPolarHBondContact O-CB 3.28Å; E136-T139 PolarHBondContact O-N 2.84Å; E136-T139 VanDerWaalsContact O-N 3.15Å; D137-T139 VanDerWaalsContact C-N 3.3Å; D137-T139 PolarHBondContact O-N 2.97Å; T139-Q141 VanDerWaalsContact C-N 3.33Å; T139-Q141 PolarHBondContact O-N 3.11Å; T139-R142 PolarHBondContact O-N 3.1Å; T139-A143 PolarHBondContact O-N 3.21Å |
| 140 | L | 89.6 | Confident | 81.1 | Confident | 92 Ų | 92 | 103.3 Ų | 103.3 | 48% | 0.482 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 174.5 | -173.5 | 73.5 | 0 | 0 | 0 | 111.4 | E136 D137 R142 A143 K144 | E136-L140 WeakPolarHBondContact O-CB 3.48Å; E136-L140 PolarHBondContact O-N 3.11Å; D137-L140 PolarHBondContact O-N 3.36Å; L140-R142 VanDerWaalsContact C-N 3.35Å; L140-A143 PolarHBondContact O-N 2.73Å; L140-K144 HydrophobicContact CG-CD 4.38Å; L140-K144 WeakPolarHBondContact O-CG 3.48Å; L140-K144 PolarHBondContact O-N 3.14Å |
| 141 | Q | 89.8 | Confident | 80.2 | Confident | 98 Ų | 98 | 103.5 Ų | 103.5 | 46% | 0.458 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 177.3 | -168.1 | 63.8 | 30.7 | 0 | 0 | 111.7 | D137 I138 T139 K144 N145 | D137-Q141 VanDerWaalsContact O-CB 3.29Å; D137-Q141 WeakPolarHBondContact O-CB 3.5Å; D137-Q141 PolarHBondContact O-N 3.49Å; I138-Q141 PolarHBondContact O-N 3.4Å; T139-Q141 VanDerWaalsContact C-N 3.33Å; T139-Q141 PolarHBondContact O-N 3.11Å; Q141-K144 PolarHBondContact O-N 3.35Å; Q141-N145 PolarHBondContact NE2-OD1 3.33Å; Q141-N145 WeakPolarHBondContact O-CB 3.37Å; Q141-N145 PolarHBondContact O-N 3.3Å; Q141-N145 PolarHBondContact O-ND2 3.07Å |
| 142 | R | 90.6 | Very high | 79.4 | Confident | 169 Ų | 169 | 97 Ų | 97 | 64% | 0.638 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.4 | -42.7 | 173.4 | -83.5 | -169.5 | -101.8 | -145 | -1.6 | 112.2 | I138 T139 L140 N145 A146 | I138-R142 VanDerWaalsContact CG2-NH2 3.32Å; I138-R142 WeakPolarHBondContact O-CB 3.47Å; I138-R142 WeakPolarHBondContact O-CG 3.48Å; I138-R142 PolarHBondContact O-N 3.23Å; T139-R142 PolarHBondContact O-N 3.1Å; L140-R142 VanDerWaalsContact C-N 3.35Å; R142-N145 PolarHBondContact O-N 2.87Å; R142-A146 PolarHBondContact O-N 3.18Å |
| 143 | A | 92.4 | Very high | 78.7 | Confident | 55 Ų | 55 | 100.5 Ų | 100.5 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.1 | -46 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T139 L140 N145 A146 V147 | T139-A143 PolarHBondContact O-N 3.21Å; L140-A143 PolarHBondContact O-N 2.73Å; A143-N145 PolarHBondContact O-N 2.71Å; A143-A146 PolarHBondContact O-N 2.87Å; A143-V147 WeakPolarHBondContact O-CG2 3.47Å; A143-V147 PolarHBondContact O-N 2.97Å |
| 144 | K | 89.9 | Confident | 78 | Confident | 101 Ų | 101 | 98.8 Ų | 98.8 | 44% | 0.439 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.9 | -46.2 | 175.4 | -73.2 | 170.3 | 178.9 | 172 | 0 | 112 | L140 Q141 A146 V147 L148 | L140-K144 HydrophobicContact CG-CD 4.38Å; L140-K144 WeakPolarHBondContact O-CG 3.48Å; L140-K144 PolarHBondContact O-N 3.14Å; Q141-K144 PolarHBondContact O-N 3.35Å; K144-A146 VanDerWaalsContact C-N 3.33Å; K144-A146 PolarHBondContact O-N 2.68Å; K144-V147 PolarHBondContact O-N 3.02Å; K144-L148 WeakPolarHBondContact O-CB 3.44Å; K144-L148 VanDerWaalsContact O-CG 3.28Å; K144-L148 WeakPolarHBondContact O-CG 3.24Å; K144-L148 PolarHBondContact O-N 2.97Å |
| 145 | N | 86.4 | Confident | 76.8 | Confident | 81 Ų | 81 | 103 Ų | 103 | 43% | 0.433 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.4 | -31.9 | -179.9 | -69.5 | -21.8 | 0 | 0 | 0 | 112.8 | Q141 R142 A143 S149 | Q141-N145 PolarHBondContact NE2-OD1 3.33Å; Q141-N145 WeakPolarHBondContact O-CB 3.37Å; Q141-N145 PolarHBondContact O-N 3.3Å; Q141-N145 PolarHBondContact O-ND2 3.07Å; R142-N145 PolarHBondContact O-N 2.87Å; A143-N145 PolarHBondContact O-N 2.71Å; N145-S149 WeakPolarHBondContact O-CB 3.39Å; N145-S149 PolarHBondContact O-N 2.97Å |
| 146 | A | 87 | Confident | 75.7 | Confident | 55 Ų | 55 | 100.2 Ų | 100.2 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.5 | -46.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | R142 A143 K144 S149 E150 | R142-A146 PolarHBondContact O-N 3.18Å; A143-A146 PolarHBondContact O-N 2.87Å; K144-A146 VanDerWaalsContact C-N 3.33Å; K144-A146 PolarHBondContact O-N 2.68Å; A146-S149 PolarHBondContact O-N 3.03Å; A146-E150 PolarHBondContact O-N 3.29Å |
| 147 | V | 77.9 | Confident | 74.2 | Confident | 97 Ų | 97 | 100.1 Ų | 100.1 | 59% | 0.588 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.2 | -44.4 | 177.6 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | A143 K144 S149 E150 D151 | A143-V147 WeakPolarHBondContact O-CG2 3.47Å; A143-V147 PolarHBondContact O-N 2.97Å; K144-V147 PolarHBondContact O-N 3.02Å; V147-S149 VanDerWaalsContact C-N 3.3Å; V147-S149 PolarHBondContact O-N 2.82Å; V147-E150 PolarHBondContact O-N 2.67Å; V147-D151 PolarHBondContact O-N 3.01Å |
| 148 | L | 72.5 | Confident | 72.7 | Confident | 103 Ų | 103 | 104.1 Ų | 104.1 | 54% | 0.539 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.9 | -31.3 | 176.8 | -68.2 | 172.2 | 0 | 0 | 0 | 113 | K144 S152 | K144-L148 WeakPolarHBondContact O-CB 3.44Å; K144-L148 VanDerWaalsContact O-CG 3.28Å; K144-L148 WeakPolarHBondContact O-CG 3.24Å; K144-L148 PolarHBondContact O-N 2.97Å; L148-S152 WeakPolarHBondContact O-CB 3.37Å; L148-S152 PolarHBondContact O-N 2.88Å; L148-S152 PolarHBondContact O-OG 3.22Å |
| 149 | S | 62.7 | Low | 71.4 | Confident | 61 Ų | 61 | 109.6 Ų | 109.6 | 43% | 0.427 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -72 | -29.4 | 177.2 | 179.6 | 0 | 0 | 0 | 0 | 112.8 | N145 A146 V147 K153 | N145-S149 WeakPolarHBondContact O-CB 3.39Å; N145-S149 PolarHBondContact O-N 2.97Å; A146-S149 PolarHBondContact O-N 3.03Å; V147-S149 VanDerWaalsContact C-N 3.3Å; V147-S149 PolarHBondContact O-N 2.82Å; S149-K153 WeakPolarHBondContact O-CG 3.12Å |
| 150 | E | 60 | Low | 69.8 | Low | 146 Ų | 146 | 112 Ų | 112 | 68% | 0.682 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -74.7 | -39.2 | 173.9 | -68.3 | -168.9 | 120.3 | 0 | 0 | 110.8 | A146 V147 S152 K153 | A146-E150 PolarHBondContact O-N 3.29Å; V147-E150 PolarHBondContact O-N 2.67Å; E150-S152 VanDerWaalsContact C-N 3.35Å; E150-S152 PolarHBondContact O-N 2.9Å; E150-K153 PolarHBondContact O-N 3.01Å |
| 151 | D | 57.2 | Low | 68.1 | Low | 115 Ų | 115 | 113.1 Ų | 113.1 | 62% | 0.615 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70.7 | -30 | 177.7 | -146 | 1.3 | 0 | 0 | 0 | 112.4 | V147 K153 S154 | V147-D151 PolarHBondContact O-N 3.01Å; D151-K153 VanDerWaalsContact C-N 3.29Å; D151-K153 PolarHBondContact O-N 3.03Å; D151-S154 PolarHBondContact O-N 3.09Å; D151-S154 PolarHBondContact O-OG 3.4Å |
| 152 | S | 58.1 | Low | 66.5 | Low | 81 Ų | 81 | 116.5 Ų | 116.5 | 57% | 0.566 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -74 | -15.5 | 174.9 | -60.2 | 0 | 0 | 0 | 0 | 114.1 | L148 E150 | L148-S152 WeakPolarHBondContact O-CB 3.37Å; L148-S152 PolarHBondContact O-N 2.88Å; L148-S152 PolarHBondContact O-OG 3.22Å; E150-S152 VanDerWaalsContact C-N 3.35Å; E150-S152 PolarHBondContact O-N 2.9Å |
| 153 | K | 58.3 | Low | 64.9 | Low | 142 Ų | 142 | 114 Ų | 114 | 62% | 0.617 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -81.4 | -16.9 | 175.7 | -76.9 | 173.8 | -177.9 | 172.2 | 0 | 112.9 | S149 E150 D151 N157 | S149-K153 WeakPolarHBondContact O-CG 3.12Å; E150-K153 PolarHBondContact O-N 3.01Å; D151-K153 VanDerWaalsContact C-N 3.29Å; D151-K153 PolarHBondContact O-N 3.03Å; K153-N157 PolarHBondContact O-ND2 3.14Å |
| 154 | S | 56.3 | Low | 63.1 | Low | 73 Ų | 73 | 117.4 Ų | 117.4 | 51% | 0.51 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -82.9 | -28.3 | 179.1 | 68.4 | 0 | 0 | 0 | 0 | 112.4 | D151 | D151-S154 PolarHBondContact O-N 3.09Å; D151-S154 PolarHBondContact O-OG 3.4Å |
| 155 | Q | 55.5 | Low | 61.5 | Low | 164 Ų | 164 | 119.9 Ų | 119.9 | 77% | 0.766 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -73.3 | -27.6 | 179.8 | -163.2 | 179.9 | 31 | 0 | 0 | 113.9 | N157 | Q155-N157 VanDerWaalsContact C-N 3.34Å; Q155-N157 PolarHBondContact O-N 3.2Å |
| 156 | A | 54.3 | Low | 59.7 | Low | 81 Ų | 81 | 119.6 Ų | 119.6 | 67% | 0.669 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -14.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 157 | N | 54.7 | Low | 57.5 | Low | 136 Ų | 136 | 130 Ų | 130 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -0.3 | -176 | -73.2 | -62.8 | 0 | 0 | 0 | 114.4 | K153 Q155 | K153-N157 PolarHBondContact O-ND2 3.14Å; Q155-N157 VanDerWaalsContact C-N 3.34Å; Q155-N157 PolarHBondContact O-N 3.2Å |
| 158 | Q | 54.9 | Low | 56.4 | Low | 182 Ų | 182 | 131.7 Ų | 131.7 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -95.3 | 8.9 | -177.4 | -144.9 | 177.4 | 35.5 | 0 | 0 | 114.3 | | |
| 159 | K | 61.2 | Low | 55.6 | Low | 192 Ų | 192 | 133.2 Ų | 133.2 | 84% | 0.835 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -114.9 | 25 | -173 | -125.2 | 177.7 | -170.5 | 177.9 | 0 | 115.3 | | |
| 160 | V | 56.1 | Low | 55.2 | Low | 129 Ų | 129 | 137.2 Ų | 137.2 | 78% | 0.782 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -144.2 | 135.6 | 166.2 | -171.9 | 0 | 0 | 0 | 0 | 107.6 | | |
| 161 | C | 55 | Low | 54.9 | Low | 114 Ų | 114 | 136.7 Ų | 136.7 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | | | trans | 98.8 | 51.8 | -177.1 | -53.7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 162 | N | 55.2 | Low | 54.8 | Low | 170 Ų | 170 | 138.1 Ų | 138.1 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | | | trans | -122.6 | 35.9 | 155 | -96.5 | 4.4 | 0 | 0 | 0 | 111.9 | | |
| 163 | C | 57.1 | Low | 54.6 | Low | 116 Ų | 116 | 141.9 Ų | 141.9 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -132.7 | 129.2 | 165.6 | -55.7 | 0 | 0 | 0 | 0 | 107.1 | | |
| 164 | C | 55.4 | Low | 54.3 | Low | 126 Ų | 126 | 141.9 Ų | 141.9 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | | | trans | 98 | 61.2 | 178 | -48.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 165 | V | 55.8 | Low | 54.1 | Low | 154 Ų | 154 | 147.2 Ų | 147.2 | 93% | 0.933 | 84% | 0.84 | S | S | * | * | | | trans | -145.9 | 122.3 | 138.1 | -176.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 166 | G | 49.4 | Very low | 54 | Low | 74 Ų | 74 | 145.8 Ų | 145.8 | 76% | 0.763 | 85% | 0.847 | S | S | * | * | | | trans | 91.6 | 118.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 167 | E | 39.1 | Very low | 54 | Low | 275 Ų | 275 | 151.6 Ų | 151.6 | 100% | 1.285 | 86% | 0.863 | S | S | * | * | | | cis | -122.8 | 0 | 26.6 | -64.6 | -173.2 | 113.5 | 0 | 0 | 114.4 | | |