| 1 | M | 36.6 | Very low | 41.4 | Very low | 246 Ų | 246 | 167.2 Ų | 167.2 | 100% | 1.212 | 88% | 0.88 | S | S | * | * | | | | 0 | 156 | 0 | -69.2 | 179.6 | 176.9 | 0 | 0 | 108.5 | | |
| 2 | H | 36.7 | Very low | 42 | Very low | 178 Ų | 178 | 165.1 Ų | 165.1 | 82% | 0.824 | 88% | 0.879 | S | S | * | * | | | trans | -61.7 | 156.6 | 172.7 | -92.7 | -156.1 | 0 | 0 | 0 | 111.9 | | |
| 3 | H | 40.3 | Very low | 42.4 | Very low | 200 Ų | 200 | 160.2 Ų | 160.2 | 93% | 0.926 | 85% | 0.853 | S | S | * | * | | | trans | -116.8 | 147.4 | 145.3 | -116.5 | 59.1 | 0 | 0 | 0 | 109.1 | | |
| 4 | Q | 39.3 | Very low | 43.5 | Very low | 179 Ų | 179 | 160.1 Ų | 160.1 | 84% | 0.836 | 84% | 0.842 | S | S | * | * | | | trans | -110 | 152.1 | -150 | -159 | 170.5 | 18 | 0 | 0 | 112.3 | | |
| 5 | Q | 44.4 | Very low | 44.3 | Very low | 182 Ų | 182 | 159.5 Ų | 159.5 | 85% | 0.85 | 83% | 0.833 | S | S | * | * | | | trans | -58.6 | 142.5 | 174.1 | -64.7 | 164.7 | -65.4 | 0 | 0 | 111.5 | | |
| 6 | R | 40.2 | Very low | 45 | Very low | 235 Ų | 235 | 156.3 Ų | 156.3 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | | | trans | -144.6 | 99.2 | 146.2 | -165.1 | 171.5 | -63.2 | -150.8 | 2.5 | 110.4 | | |
| 7 | M | 40.9 | Very low | 45.7 | Very low | 183 Ų | 183 | 150.7 Ų | 150.7 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | | | trans | -65 | 134.9 | 160.1 | -71.7 | -84.2 | -81.6 | 0 | 0 | 108.2 | | |
| 8 | A | 40.7 | Very low | 46.5 | Very low | 86 Ų | 86 | 149 Ų | 149 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | trans | -131.7 | 116.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 9 | A | 47.6 | Very low | 47.2 | Very low | 106 Ų | 106 | 148.3 Ų | 148.3 | 88% | 0.876 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -74 | 128.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 10 | L | 42.5 | Very low | 48 | Very low | 169 Ų | 169 | 147.5 Ų | 147.5 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 147.2 | 165.8 | -68.6 | 174.3 | 0 | 0 | 0 | 108.7 | | |
| 11 | G | 45.7 | Very low | 48.6 | Very low | 75 Ų | 75 | 144.8 Ų | 144.8 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 156.3 | -160.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D13 | G11-D13 PolarHBondContact O-N 3.25Å; G11-D13 VanDerWaalsContact O-N 3.13Å |
| 12 | T | 49 | Very low | 49.9 | Very low | 142 Ų | 142 | 139.5 Ų | 139.5 | 87% | 0.871 | 73% | 0.733 | S | S | * | * | | | trans | -62.5 | 107.9 | 163.7 | 49.1 | 0 | 0 | 0 | 0 | 109.1 | K14 | T12-K14 PolarHBondContact O-N 3.21Š|
| 13 | D | 47.3 | Very low | 50.8 | Low | 101 Ų | 101 | 135.2 Ų | 135.2 | 54% | 0.54 | 72% | 0.723 | S | S | . | * | | | trans | -65.4 | 121.6 | 170.4 | -167.6 | -20.2 | 0 | 0 | 0 | 109.1 | G11 E15 L16 | G11-D13 PolarHBondContact O-N 3.25Å; G11-D13 VanDerWaalsContact O-N 3.13Å; D13-E15 PolarHBondContact OD1-N 2.99Å; D13-E15 VanDerWaalsContact OD1-N 3.17Å; D13-L16 HydrophobicContact CB-CD1 4.1Å; D13-L16 HydrophobicContact CB-CG 4.26Å |
| 14 | K | 57.1 | Low | 51.6 | Low | 159 Ų | 159 | 130.1 Ų | 130.1 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -89.6 | -19.8 | -169.7 | -155.6 | 175.8 | -177.6 | -174.6 | 0 | 112.3 | T12 L16 S17 | T12-K14 PolarHBondContact O-N 3.21Å; K14-L16 VanDerWaalsContact C-N 3.3Å; K14-S17 PolarHBondContact O-N 3.47Å; K14-S17 PolarHBondContact O-OG 3.35Å |
| 15 | E | 55.8 | Low | 52.5 | Low | 152 Ų | 152 | 127.7 Ų | 127.7 | 71% | 0.71 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -76.4 | -24.2 | 179.9 | -58.4 | -175.1 | 178.9 | 0 | 0 | 111 | D13 L19 | D13-E15 PolarHBondContact OD1-N 2.99Å; D13-E15 VanDerWaalsContact OD1-N 3.17Å; E15-L19 PolarHBondContact O-N 2.89Å |
| 16 | L | 56.4 | Low | 53.2 | Low | 108 Ų | 108 | 126.9 Ų | 126.9 | 57% | 0.565 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -72.9 | -25.1 | 173.4 | -62.7 | -178.3 | 0 | 0 | 0 | 113.9 | D13 K14 | D13-L16 HydrophobicContact CB-CD1 4.1Å; D13-L16 HydrophobicContact CB-CG 4.26Å; K14-L16 VanDerWaalsContact C-N 3.3Å |
| 17 | S | 56.8 | Low | 53.8 | Low | 61 Ų | 61 | 121.1 Ų | 121.1 | 43% | 0.427 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -73.3 | -40.5 | 173.2 | 26.2 | 0 | 0 | 0 | 0 | 112.2 | K14 L19 L20 D21 | K14-S17 PolarHBondContact O-N 3.47Å; K14-S17 PolarHBondContact O-OG 3.35Å; S17-L19 VanDerWaalsContact C-N 3.29Å; S17-L19 PolarHBondContact O-N 2.73Å; S17-L20 PolarHBondContact O-N 3.46Å; S17-D21 PolarHBondContact O-N 3.07Å |
| 18 | D | 59.6 | Low | 54.4 | Low | 120 Ų | 120 | 117.4 Ų | 117.4 | 64% | 0.642 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -70.8 | -27.9 | -175 | -64.3 | 3.7 | 0 | 0 | 0 | 111.5 | L20 D21 | D18-L20 PolarHBondContact O-N 3.34Å; D18-D21 PolarHBondContact O-N 2.79Å |
| 19 | L | 59.6 | Low | 54.7 | Low | 135 Ų | 135 | 119.4 Ų | 119.4 | 71% | 0.707 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -9 | 170.3 | -79 | 168.4 | 0 | 0 | 0 | 114.7 | E15 S17 | E15-L19 PolarHBondContact O-N 2.89Å; S17-L19 VanDerWaalsContact C-N 3.29Å; S17-L19 PolarHBondContact O-N 2.73Å |
| 20 | L | 64.4 | Low | 54.8 | Low | 132 Ų | 132 | 121 Ų | 121 | 69% | 0.691 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.7 | -7 | 178.3 | -65.2 | 173.9 | 0 | 0 | 0 | 113.1 | S17 D18 F22 | S17-L20 PolarHBondContact O-N 3.46Å; D18-L20 PolarHBondContact O-N 3.34Å; L20-F22 PolarHBondContact O-N 3.03Å |
| 21 | D | 59.6 | Low | 55 | Low | 92 Ų | 92 | 118.6 Ų | 118.6 | 49% | 0.492 | 69% | 0.687 | S | S | . | * | | | trans | -87.2 | 85.7 | 179.7 | -171.1 | 16.6 | 0 | 0 | 0 | 112.9 | S17 D18 S23 | S17-D21 PolarHBondContact O-N 3.07Å; D18-D21 PolarHBondContact O-N 2.79Å; D21-S23 PolarHBondContact O-N 3.35Å; D21-S23 WeakPolarHBondContact OD1-CB 3.46Å; D21-S23 PolarHBondContact OD1-N 3.36Å; D21-S23 PolarHBondContact OD1-OG 3.07Å |
| 22 | F | 63.3 | Low | 54.7 | Low | 135 Ų | 135 | 120.5 Ų | 120.5 | 59% | 0.592 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -71.6 | 0.7 | 173.7 | -64 | -70 | 0 | 0 | 0 | 114.5 | L20 A24 M25 | L20-F22 PolarHBondContact O-N 3.03Å; F22-A24 PolarHBondContact O-N 3.45Å; F22-A24 VanDerWaalsContact O-N 3.16Å; F22-M25 HydrophobicContact CB-CE 4.42Å; F22-M25 HydrophobicContact CD1-CE 3.63Å; F22-M25 HydrophobicContact CD1-SD 4.32Å; F22-M25 HydrophobicContact CE1-CE 4.37Å; F22-M25 HydrophobicContact CG-CE 4.41Å; F22-M25 PolarHBondContact O-N 3.03Å |
| 23 | S | 56.9 | Low | 54.2 | Low | 88 Ų | 88 | 117 Ų | 117 | 62% | 0.615 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -60.7 | -26.7 | -177.4 | -53.8 | 0 | 0 | 0 | 0 | 113.3 | D21 M25 | D21-S23 PolarHBondContact O-N 3.35Å; D21-S23 WeakPolarHBondContact OD1-CB 3.46Å; D21-S23 PolarHBondContact OD1-N 3.36Å; D21-S23 PolarHBondContact OD1-OG 3.07Å; S23-M25 VanDerWaalsContact C-N 3.25Å; S23-M25 PolarHBondContact O-N 3.24Å |
| 24 | A | 56.9 | Low | 53.7 | Low | 93 Ų | 93 | 121.5 Ų | 121.5 | 77% | 0.769 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -68.6 | -17.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | F22 | F22-A24 PolarHBondContact O-N 3.45Å; F22-A24 VanDerWaalsContact O-N 3.16Å |
| 25 | M | 57.2 | Low | 52.7 | Low | 127 Ų | 127 | 121.7 Ų | 121.7 | 63% | 0.626 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -89.9 | -14.3 | -177.5 | -56.3 | -160.8 | -45.7 | 0 | 0 | 114.2 | F22 S23 | F22-M25 HydrophobicContact CB-CE 4.42Å; F22-M25 HydrophobicContact CD1-CE 3.63Å; F22-M25 HydrophobicContact CD1-SD 4.32Å; F22-M25 HydrophobicContact CE1-CE 4.37Å; F22-M25 HydrophobicContact CG-CE 4.41Å; F22-M25 PolarHBondContact O-N 3.03Å; S23-M25 VanDerWaalsContact C-N 3.25Å; S23-M25 PolarHBondContact O-N 3.24Å |
| 26 | F | 59.9 | Low | 51.8 | Low | 166 Ų | 166 | 117.8 Ų | 117.8 | 73% | 0.728 | 70% | 0.704 | S | S | * | * | | | trans | -132.5 | 83.8 | -175.6 | -71.9 | -79.8 | 0 | 0 | 0 | 111.7 | P28 | F26-P28 WeakPolarHBondContact O-CD 3.48Š|
| 27 | S | 51.6 | Low | 51.6 | Low | 114 Ų | 114 | 118.8 Ų | 118.8 | 80% | 0.797 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 120.6 | 170.9 | -58.6 | 0 | 0 | 0 | 0 | 111 | | |
| 28 | P | 55.1 | Low | 50.5 | Low | 104 Ų | 104 | 122.2 Ų | 122.2 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 153 | 171.6 | 28.9 | -34.2 | 0 | 0 | 0 | 110.7 | F26 V30 | F26-P28 WeakPolarHBondContact O-CD 3.48Å; P28-V30 PolarHBondContact O-N 3.48Å |
| 29 | P | 47.3 | Very low | 49.3 | Very low | 129 Ų | 129 | 121.9 Ų | 121.9 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 121.1 | -178 | 25.6 | -34.1 | 0 | 0 | 0 | 111.5 | S31 | P29-S31 PolarHBondContact O-N 3.08Š|
| 30 | V | 49.7 | Very low | 48.3 | Very low | 140 Ų | 140 | 123.3 Ų | 123.3 | 85% | 0.848 | 75% | 0.75 | S | S | * | * | | | trans | -75.2 | 103.2 | -175 | -75.2 | 0 | 0 | 0 | 0 | 112.6 | P28 S32 | P28-V30 PolarHBondContact O-N 3.48Å; V30-S32 PolarHBondContact O-N 3.3Å; V30-S32 VanDerWaalsContact O-N 3.08Å |
| 31 | S | 46.2 | Very low | 46.6 | Very low | 118 Ų | 118 | 121.7 Ų | 121.7 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | | | trans | -74.1 | 93.6 | 168.5 | 58.7 | 0 | 0 | 0 | 0 | 110.6 | P29 G33 | P29-S31 PolarHBondContact O-N 3.08Å; S31-G33 PolarHBondContact O-N 3.39Å |
| 32 | S | 38.5 | Very low | 45.1 | Very low | 114 Ų | 114 | 123.3 Ų | 123.3 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | | | trans | -72.9 | 64.4 | -178.3 | 179.1 | 0 | 0 | 0 | 0 | 113.8 | V30 | V30-S32 PolarHBondContact O-N 3.3Å; V30-S32 VanDerWaalsContact O-N 3.08Å |
| 33 | G | 38.1 | Very low | 43.6 | Very low | 68 Ų | 68 | 120 Ų | 120 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | trans | -90.2 | 107 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111 | S31 | S31-G33 PolarHBondContact O-N 3.39Š|
| 34 | K | 37 | Very low | 42.5 | Very low | 197 Ų | 197 | 123.7 Ų | 123.7 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | | | trans | -105.8 | 78 | -165 | -167.6 | 174.3 | 179.7 | 177.9 | 0 | 113 | | |
| 35 | N | 37.3 | Very low | 41.3 | Very low | 162 Ų | 162 | 127.9 Ų | 127.9 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | | | trans | -85.1 | 115.2 | 171.2 | -64.9 | 20.5 | 0 | 0 | 0 | 109.3 | | |
| 36 | G | 37.2 | Very low | 40 | Very low | 70 Ų | 70 | 128.2 Ų | 128.2 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | | | trans | -72.5 | 159.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 37 | P | 50.9 | Low | 38.6 | Very low | 130 Ų | 130 | 123.9 Ų | 123.9 | 84% | 0.844 | 80% | 0.798 | S | S | * | * | | | trans | -100.9 | 173.5 | -166.9 | 40.2 | -37.3 | 0 | 0 | 0 | 114.6 | | |
| 38 | T | 34.7 | Very low | 37.9 | Very low | 133 Ų | 133 | 123.7 Ų | 123.7 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | | | trans | -131.7 | 102.3 | 170.4 | 37 | 0 | 0 | 0 | 0 | 113.2 | | |
| 39 | S | 35.1 | Very low | 36.9 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | | | trans | 65.6 | 151.3 | 149.2 | -59.6 | 0 | 0 | 0 | 0 | 118.9 | | |
| 40 | L | 37.4 | Very low | 36.4 | Very low | 166 Ų | 166 | 123.6 Ų | 123.6 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | | | cis | -139.2 | 147.7 | 30.5 | -75.8 | 160.2 | 0 | 0 | 0 | 115 | | |
| 41 | A | 28.5 | Very low | 35.9 | Very low | 98 Ų | 98 | 124 Ų | 124 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | | | trans | 38.6 | 126.8 | 146.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 42 | S | 28.6 | Very low | 35.4 | Very low | 126 Ų | 126 | 123.6 Ų | 123.6 | 88% | 0.881 | 77% | 0.768 | S | S | * | * | | | | -175.2 | 161.9 | 63.9 | -173.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 43 | G | 32.1 | Very low | 35.4 | Very low | 66 Ų | 66 | 126.8 Ų | 126.8 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | | | trans | 131.3 | 41.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 44 | H | 34.4 | Very low | 35.2 | Very low | 164 Ų | 164 | 126.4 Ų | 126.4 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | | | trans | 42.5 | 126.6 | 148.8 | -73 | -94.4 | 0 | 0 | 0 | 124.9 | | |
| 45 | F | 31.7 | Very low | 35.1 | Very low | 182 Ų | 182 | 122.3 Ų | 122.3 | 80% | 0.798 | 75% | 0.745 | S | S | * | * | | | trans | 92 | 128.4 | 139.1 | -85 | -57.2 | 0 | 0 | 0 | 125.2 | | |
| 46 | T | 29.8 | Very low | 35 | Very low | 133 Ų | 133 | 119.8 Ų | 119.8 | 82% | 0.816 | 74% | 0.74 | S | S | * | * | | | trans | 67.9 | 119.2 | 149.2 | 53.6 | 0 | 0 | 0 | 0 | 124.4 | | |
| 47 | G | 30.6 | Very low | 34.7 | Very low | 75 Ų | 75 | 120.3 Ų | 120.3 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | | | trans | 98.4 | 102.8 | 149.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 48 | S | 36.2 | Very low | 33.7 | Very low | 111 Ų | 111 | 118.7 Ų | 118.7 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | | | | 76.9 | 128.8 | 60 | -161.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 49 | N | 33 | Very low | 33.5 | Very low | 133 Ų | 133 | 124.4 Ų | 124.4 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | | | cis | -161.3 | 153.8 | 13.5 | -136.4 | 21.3 | 0 | 0 | 0 | 114.5 | | |
| 50 | V | 37.6 | Very low | 33.3 | Very low | 97 Ų | 97 | 123 Ų | 123 | 59% | 0.588 | 75% | 0.747 | S | S | * | * | | | trans | 14.3 | 169.2 | 142.3 | -52.7 | 0 | 0 | 0 | 0 | 123.3 | | |
| 51 | E | 38.4 | Very low | 33 | Very low | 150 Ų | 150 | 123.3 Ų | 123.3 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | | | cis | -163.2 | 138.4 | -0.4 | -130.2 | 46.8 | 142.3 | 0 | 0 | 105.4 | | |
| 52 | D | 36 | Very low | 33.1 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 58% | 0.578 | 75% | 0.747 | S | S | * | * | | | | 59.3 | 118.5 | 79.5 | -175.8 | 39.9 | 0 | 0 | 0 | 117.1 | | |
| 53 | R | 38.6 | Very low | 33.2 | Very low | 181 Ų | 181 | 119.9 Ų | 119.9 | 68% | 0.683 | 74% | 0.744 | S | S | * | * | B | Isolated β-bridge | | 168.6 | 149.7 | 116.3 | -89.3 | 177 | -179.1 | -146.6 | -6.9 | 119.8 | T303 | R53-T303 PolarHBondContact N-O 3.34Å; R53-T303 CarbonylContact O-C 3.11Å; R53-T303 WeakPolarHBondContact O-CA 3.5Å; R53-T303 PolarHBondContact O-N 3.42Å; R53-T303 VanDerWaalsContact O-O 3.05Å; R53-T303 PolarHBondContact O-OG1 3.4Å |
| 54 | S | 34.9 | Very low | 33.5 | Very low | 61 Ų | 61 | 126 Ų | 126 | 43% | 0.427 | 75% | 0.754 | S | S | . | * | | | trans | -96.5 | 157.3 | 178.3 | -41.1 | 0 | 0 | 0 | 0 | 116.6 | N301 G302 T303 | S54-N301 WeakPolarHBondContact CB-O 3.47Å; S54-N301 PolarHBondContact OG-O 3.2Å; S54-G302 WeakPolarHBondContact OG-CA 3.4Å; S54-T303 WeakPolarHBondContact CA-OG1 3.42Å |
| 55 | S | 34.2 | Very low | 33.8 | Very low | 110 Ų | 110 | 124 Ų | 124 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | | | trans | 162.9 | 159.6 | 142 | -79.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 56 | S | 35.9 | Very low | 34 | Very low | 109 Ų | 109 | 121.1 Ų | 121.1 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | | | cis | -174.4 | 135.9 | -22 | 57.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 57 | G | 29.7 | Very low | 34.7 | Very low | 81 Ų | 81 | 120.3 Ų | 120.3 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | | | trans | 71.1 | -179.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 58 | S | 29.5 | Very low | 34.7 | Very low | 97 Ų | 97 | 121.4 Ų | 121.4 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | | | cis | -171.9 | 160.9 | -31.6 | -170 | 0 | 0 | 0 | 0 | 110.9 | | |
| 59 | W | 31.3 | Very low | 34.5 | Very low | 253 Ų | 253 | 126.3 Ų | 126.3 | 96% | 0.958 | 75% | 0.753 | S | S | * | * | | | trans | 74.1 | 145 | 170.4 | -52.6 | 95.1 | 0 | 0 | 0 | 119.5 | | |
| 60 | G | 30 | Very low | 34.3 | Very low | 81 Ų | 81 | 127.3 Ų | 127.3 | 84% | 0.835 | 76% | 0.758 | S | S | * | * | | | trans | 136.6 | 119 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 61 | N | 31.1 | Very low | 33.9 | Very low | 174 Ų | 174 | 133 Ų | 133 | 93% | 0.93 | 77% | 0.771 | S | S | * | * | | | trans | -141.4 | 138.4 | -179 | -177.4 | 24.3 | 0 | 0 | 0 | 112.3 | | |
| 62 | G | 31.7 | Very low | 33.5 | Very low | 72 Ų | 72 | 129.4 Ų | 129.4 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | | | trans | 106.8 | 137.4 | 158.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 63 | G | 29.7 | Very low | 33.1 | Very low | 80 Ų | 80 | 132.5 Ų | 132.5 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | trans | 121.9 | 106.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 64 | H | 39 | Very low | 32.5 | Very low | 194 Ų | 194 | 126.9 Ų | 126.9 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | | | trans | -79.1 | 152.3 | 156.8 | -52.1 | -91.8 | 0 | 0 | 0 | 108.9 | | |
| 65 | P | 41.7 | Very low | 32.3 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | | | | -149.9 | 175.9 | 90.3 | 39.9 | -23.4 | 0 | 0 | 0 | 115.5 | | |
| 66 | S | 34.8 | Very low | 33 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | | | trans | -116.9 | 133.9 | 170.9 | -51.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 67 | P | 44.6 | Very low | 32.6 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | | | trans | -142.6 | 171.1 | 140.1 | 38.4 | -25 | 0 | 0 | 0 | 112.4 | | |
| 68 | S | 30.6 | Very low | 32.5 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | | | cis | -176.4 | 159.8 | -33.4 | 67 | 0 | 0 | 0 | 0 | 108.7 | | |
| 69 | R | 31.2 | Very low | 32.6 | Very low | 214 Ų | 214 | 139 Ų | 139 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | | | trans | 74.6 | 129.4 | 160 | -64.8 | -178.4 | 171.9 | -138.6 | -3.3 | 120.3 | | |
| 70 | N | 29.9 | Very low | 32.7 | Very low | 154 Ų | 154 | 134.2 Ų | 134.2 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | | | trans | -66.4 | 158.2 | 152.1 | -63.5 | -34.3 | 0 | 0 | 0 | 111.3 | | |
| 71 | Y | 30 | Very low | 33 | Very low | 217 Ų | 217 | 136.2 Ų | 136.2 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | | | trans | -122.9 | 137.4 | 134.2 | -95.7 | -83.5 | 0 | 0 | 0 | 108.5 | | |
| 72 | G | 29 | Very low | 33 | Very low | 74 Ų | 74 | 132.6 Ų | 132.6 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | | | trans | -122.6 | 142.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 73 | D | 26.9 | Very low | 33.1 | Very low | 172 Ų | 172 | 139.5 Ų | 139.5 | 92% | 0.92 | 78% | 0.775 | S | S | * | * | | | trans | -139.4 | 147.8 | 168.6 | -168.4 | 6.4 | 0 | 0 | 0 | 107.2 | | |
| 74 | G | 27.3 | Very low | 33.1 | Very low | 64 Ų | 64 | 142.4 Ų | 142.4 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | | | trans | 160.9 | 94.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 75 | T | 31.2 | Very low | 33.1 | Very low | 133 Ų | 133 | 141.3 Ų | 141.3 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | | | trans | -149.1 | 168.2 | 155.3 | 65.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 76 | P | 47.7 | Very low | 32.6 | Very low | 97 Ų | 97 | 139.5 Ų | 139.5 | 63% | 0.63 | 77% | 0.774 | S | S | * | * | | | cis | -133.7 | 173.7 | -2.3 | 41.7 | -26.4 | 0 | 0 | 0 | 115.6 | | |
| 77 | Y | 28.5 | Very low | 32.5 | Very low | 204 Ų | 204 | 138.4 Ų | 138.4 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | | | trans | 66 | 153.3 | 161.4 | -64.6 | -62.8 | 0 | 0 | 0 | 118.4 | | |
| 78 | D | 28 | Very low | 31.8 | Very low | 126 Ų | 126 | 141.9 Ų | 141.9 | 67% | 0.674 | 77% | 0.773 | S | S | * | * | | | cis | -148.4 | 166.1 | -0.5 | -136.7 | -28.6 | 0 | 0 | 0 | 115.7 | | |
| 79 | H | 31.3 | Very low | 32 | Very low | 151 Ų | 151 | 143.6 Ų | 143.6 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | | | trans | 8 | 127.8 | 154.9 | -108.2 | -97.4 | 0 | 0 | 0 | 122.5 | | |
| 80 | M | 32.1 | Very low | 32 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | | | | 175.3 | 149.2 | 106.2 | -92.1 | -65.5 | 168.9 | 0 | 0 | 114.2 | | |
| 81 | T | 37.6 | Very low | 32.1 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | | | trans | 23 | 115.6 | 162.7 | 56.3 | 0 | 0 | 0 | 0 | 120.1 | | |
| 82 | S | 30.4 | Very low | 32 | Very low | 98 Ų | 98 | 134.5 Ų | 134.5 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | | | cis | 88.5 | 102.5 | 41.1 | -174.8 | 0 | 0 | 0 | 0 | 116.7 | | |
| 83 | R | 33.3 | Very low | 32.7 | Very low | 217 Ų | 217 | 136.1 Ų | 136.1 | 82% | 0.819 | 76% | 0.761 | S | S | * | * | | | trans | 70.1 | 157.9 | 142.5 | -71.6 | -175.6 | -172.5 | -179.2 | 2.4 | 118.8 | | |
| 84 | D | 29.7 | Very low | 33.5 | Very low | 141 Ų | 141 | 133.9 Ų | 133.9 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | | | cis | -136.4 | 167.9 | 14.2 | -120.9 | -37.3 | 0 | 0 | 0 | 115.7 | | |
| 85 | L | 39.1 | Very low | 33.7 | Very low | 170 Ų | 170 | 138.6 Ų | 138.6 | 89% | 0.89 | 76% | 0.758 | S | S | * | * | | | trans | -110.4 | 147.2 | 167 | -78.3 | 162.2 | 0 | 0 | 0 | 109 | | |
| 86 | G | 32.7 | Very low | 34.2 | Very low | 83 Ų | 83 | 139.5 Ų | 139.5 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | | | trans | -179.1 | 57.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 87 | S | 31.1 | Very low | 33.2 | Very low | 100 Ų | 100 | 140.9 Ų | 140.9 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | | | trans | -91.6 | 132.7 | 162.6 | -177.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 88 | H | 31.4 | Very low | 33.3 | Very low | 190 Ų | 190 | 137 Ų | 137 | 88% | 0.88 | 77% | 0.768 | S | S | * | * | | | trans | -158.1 | 125.2 | 156.4 | -93.2 | -60.1 | 0 | 0 | 0 | 111 | | |
| 89 | D | 34 | Very low | 33.4 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | | | trans | -68.9 | 158.3 | 172.7 | -51 | -98.8 | 0 | 0 | 0 | 112.8 | | |
| 90 | N | 30.2 | Very low | 33.9 | Very low | 140 Ų | 140 | 142 Ų | 142 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | | | | 176.1 | 134.6 | 113.5 | -98 | -80.2 | 0 | 0 | 0 | 114.6 | | |
| 91 | L | 32.9 | Very low | 33.9 | Very low | 144 Ų | 144 | 141.8 Ų | 141.8 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | | | trans | 62.9 | 105.4 | 140.9 | -63.2 | 165.4 | 0 | 0 | 0 | 123 | | |
| 92 | S | 28.2 | Very low | 33.5 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | | 81.5 | 148.9 | 129.8 | -61.3 | 0 | 0 | 0 | 0 | 121.7 | | |
| 93 | P | 42.7 | Very low | 33.5 | Very low | 107 Ų | 107 | 145.4 Ų | 145.4 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 164.8 | -169.3 | 40.5 | -36.7 | 0 | 0 | 0 | 115.2 | | |
| 94 | P | 44.6 | Very low | 33.5 | Very low | 126 Ų | 126 | 141 Ų | 141 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 146.4 | 169.8 | 33.4 | -34.2 | 0 | 0 | 0 | 112.9 | | |
| 95 | F | 31.3 | Very low | 33.6 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 150.2 | 167.5 | -76 | -107.1 | 0 | 0 | 0 | 111.2 | | |
| 96 | V | 41.1 | Very low | 33.2 | Very low | 152 Ų | 152 | 147.3 Ų | 147.3 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | | | trans | -129.8 | 144.5 | 149.7 | -76.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 97 | N | 27.7 | Very low | 33.1 | Very low | 126 Ų | 126 | 146.4 Ų | 146.4 | 67% | 0.674 | 79% | 0.786 | S | S | * | * | | | trans | -139.6 | 139.2 | -171 | -164.7 | -10.7 | 0 | 0 | 0 | 108.2 | | |
| 98 | S | 29.3 | Very low | 32.9 | Very low | 123 Ų | 123 | 147.2 Ų | 147.2 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | | | trans | -145.5 | 125.8 | 179 | -83 | 0 | 0 | 0 | 0 | 111.1 | | |
| 99 | R | 30.4 | Very low | 32.8 | Very low | 214 Ų | 214 | 148.3 Ų | 148.3 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | | | trans | -140.5 | 119.1 | 178.2 | 171.9 | -171.4 | -87.3 | -149.6 | -5.4 | 110.4 | | |
| 100 | I | 41.3 | Very low | 32.4 | Very low | 168 Ų | 168 | 146.2 Ų | 146.2 | 86% | 0.862 | 79% | 0.785 | S | S | * | * | | | trans | -132.7 | 100.8 | 159.3 | -58.8 | 173.8 | 0 | 0 | 0 | 104.4 | | |
| 101 | Q | 32 | Very low | 32.3 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 70% | 0.696 | 78% | 0.782 | S | S | * | * | | | | 53.9 | 85 | 79.4 | -75.9 | -148.7 | 42.2 | 0 | 0 | 115.1 | | |
| 102 | S | 30 | Very low | 32.2 | Very low | 123 Ų | 123 | 148.4 Ų | 148.4 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | | | trans | -122.8 | 166.2 | 142 | 59 | 0 | 0 | 0 | 0 | 108.7 | | |
| 103 | K | 30.7 | Very low | 32.2 | Very low | 175 Ų | 175 | 146.4 Ų | 146.4 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | | | trans | -128.9 | 139.8 | -160.4 | -87.5 | 180 | 175.2 | 175.8 | 0 | 113.2 | | |
| 104 | T | 32.7 | Very low | 31.6 | Very low | 125 Ų | 125 | 151.9 Ų | 151.9 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | | | trans | 61.5 | 127.4 | 139.5 | -45.8 | 0 | 0 | 0 | 0 | 116.4 | | |
| 105 | E | 31.6 | Very low | 30.9 | Very low | 193 Ų | 193 | 152 Ų | 152 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | | | | -144.2 | -172 | 69.9 | -87.5 | -176.8 | 171.3 | 0 | 0 | 115.2 | | |
| 106 | R | 32.1 | Very low | 30.8 | Very low | 249 Ų | 249 | 150.5 Ų | 150.5 | 94% | 0.94 | 79% | 0.792 | S | S | * | * | | | trans | -149.7 | 124.6 | -159.4 | -175.9 | -168.9 | -171 | -159.7 | 4.9 | 115 | | |
| 107 | G | 29.2 | Very low | 30.2 | Very low | 65 Ų | 65 | 150.8 Ų | 150.8 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | | | trans | -173.7 | 134.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 108 | S | 27.8 | Very low | 30.4 | Very low | 116 Ų | 116 | 151.5 Ų | 151.5 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | | | | 65.3 | 126.8 | 56.3 | -64.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 109 | Y | 28.3 | Very low | 30.5 | Very low | 214 Ų | 214 | 154.8 Ų | 154.8 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | | | cis | -162.5 | 167.6 | 20 | -160.6 | -105.8 | 0 | 0 | 0 | 112.5 | | |
| 110 | S | 26.7 | Very low | 30.4 | Very low | 90 Ų | 90 | 148.4 Ų | 148.4 | 63% | 0.629 | 80% | 0.795 | S | S | * | * | | | trans | 58.8 | 146 | 173 | -74.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 111 | S | 27.6 | Very low | 29.9 | Very low | 98 Ų | 98 | 145.6 Ų | 145.6 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | | | cis | 104.7 | 81.8 | 11.8 | -174.9 | 0 | 0 | 0 | 0 | 117.1 | | |
| 112 | Y | 30.8 | Very low | 29.9 | Very low | 232 Ų | 232 | 146 Ų | 146 | 91% | 0.91 | 79% | 0.79 | S | S | * | * | | | trans | -150.6 | 148.4 | 144.1 | -63.3 | -73.4 | 0 | 0 | 0 | 107.8 | | |
| 113 | G | 28.5 | Very low | 30 | Very low | 67 Ų | 67 | 147.7 Ų | 147.7 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | | | cis | 108 | 81 | -7 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 114 | R | 30.3 | Very low | 30 | Very low | 222 Ų | 222 | 146.7 Ų | 146.7 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | | | trans | -162.6 | 134.3 | 141.4 | -92.9 | -133.5 | -179.6 | -114.6 | -7.4 | 114.2 | | |
| 115 | E | 29.2 | Very low | 29.8 | Very low | 130 Ų | 130 | 145.2 Ų | 145.2 | 61% | 0.607 | 78% | 0.777 | S | S | * | * | | | trans | -61.9 | 169.1 | 161.6 | 61.9 | -67.7 | 149.2 | 0 | 0 | 114.9 | | |
| 116 | S | 29.6 | Very low | 30 | Very low | 130 Ų | 130 | 142.8 Ų | 142.8 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | | | trans | -136.4 | 108.3 | 156.3 | -164 | 0 | 0 | 0 | 0 | 109.8 | | |
| 117 | N | 28.8 | Very low | 30.3 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | | | trans | -143.2 | 139.6 | 169.4 | -165.9 | -4.5 | 0 | 0 | 0 | 107.3 | | |
| 118 | L | 31.5 | Very low | 30.3 | Very low | 142 Ų | 142 | 139.5 Ų | 139.5 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | trans | -116.7 | 99.5 | -160.5 | 179.9 | 76 | 0 | 0 | 0 | 111.1 | | |
| 119 | Q | 32.2 | Very low | 30.4 | Very low | 191 Ų | 191 | 137.7 Ų | 137.7 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | | | trans | -172.7 | 144.1 | 153.1 | -124 | 81 | 85.9 | 0 | 0 | 110.8 | | |
| 120 | G | 28.9 | Very low | 30.6 | Very low | 81 Ų | 81 | 134.9 Ų | 134.9 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | | | trans | 132.5 | 126.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 121 | C | 29.6 | Very low | 31 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | | | trans | -151.3 | 162.8 | 164.8 | -156.3 | 0 | 0 | 0 | 0 | 110 | | |
| 122 | H | 32.6 | Very low | 30.9 | Very low | 159 Ų | 159 | 141.4 Ų | 141.4 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | | | trans | 70.9 | 113.7 | -169.3 | -44.9 | -67.5 | 0 | 0 | 0 | 112.6 | | |
| 123 | Q | 32.1 | Very low | 31 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | | | | 71.2 | 140.9 | 66.1 | -66.4 | -160.9 | 63.1 | 0 | 0 | 112.5 | | |
| 124 | Q | 29.6 | Very low | 31.1 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | | | cis | -163.7 | 165.1 | 20.9 | -144 | 171.9 | 52.1 | 0 | 0 | 112.5 | | |
| 125 | S | 29.4 | Very low | 31.2 | Very low | 93 Ų | 93 | 136.1 Ų | 136.1 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | | | trans | 64.9 | 164.8 | 150.7 | -69.2 | 0 | 0 | 0 | 0 | 120.6 | | |
| 126 | L | 35.7 | Very low | 31.9 | Very low | 142 Ų | 142 | 135.7 Ų | 135.7 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | | | cis | -172.1 | 146.4 | -43.2 | -120.1 | 162.7 | 0 | 0 | 0 | 109.2 | | |
| 127 | L | 37.3 | Very low | 32 | Very low | 167 Ų | 167 | 132.6 Ų | 132.6 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | trans | 65.1 | 161.3 | 172.5 | -50.9 | 170.4 | 0 | 0 | 0 | 116.2 | | |
| 128 | G | 30.3 | Very low | 32.1 | Very low | 78 Ų | 78 | 131 Ų | 131 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | cis | 132.1 | 105.3 | -11.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 129 | G | 30.4 | Very low | 32.1 | Very low | 78 Ų | 78 | 132.2 Ų | 132.2 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | 163.3 | 152.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 130 | D | 31.7 | Very low | 32.1 | Very low | 156 Ų | 156 | 128.4 Ų | 128.4 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | | | trans | -111.6 | 176.6 | -169.6 | -67.8 | -92.5 | 0 | 0 | 0 | 114.9 | | |
| 131 | M | 34.2 | Very low | 33 | Very low | 188 Ų | 188 | 130 Ų | 130 | 93% | 0.926 | 78% | 0.783 | S | S | * | * | | | trans | 76.4 | 153.1 | 166 | -54.1 | -171.6 | -166.1 | 0 | 0 | 118 | | |
| 132 | D | 26.7 | Very low | 33.1 | Very low | 137 Ų | 137 | 131.6 Ų | 131.6 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | | | cis | -166.3 | 165.4 | -28.3 | 179.9 | 35.5 | 0 | 0 | 0 | 108.9 | | |
| 133 | M | 32.1 | Very low | 33.1 | Very low | 176 Ų | 176 | 133.3 Ų | 133.3 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | | | trans | 60.7 | 134.5 | 159.2 | -100.8 | -168.4 | 176.5 | 0 | 0 | 121.1 | | |
| 134 | G | 31.2 | Very low | 33.5 | Very low | 85 Ų | 85 | 132 Ų | 132 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | | | trans | 151.7 | 83.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 135 | N | 32.3 | Very low | 33.6 | Very low | 148 Ų | 148 | 128 Ų | 128 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | trans | -139.6 | 134.6 | 166 | 171.9 | 38.7 | 0 | 0 | 0 | 108.8 | G137 | N135-G137 PolarHBondContact OD1-N 3.02Š|
| 136 | P | 44.6 | Very low | 33.8 | Very low | 122 Ų | 122 | 128.5 Ų | 128.5 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | | | | -153.3 | 117 | 115.6 | 34.4 | -14.4 | 0 | 0 | 0 | 117.1 | | |
| 137 | G | 31.6 | Very low | 33.7 | Very low | 65 Ų | 65 | 128.4 Ų | 128.4 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | | | trans | 69.3 | -171.3 | 148 | 0 | 0 | 0 | 0 | 0 | 118.3 | N135 | N135-G137 PolarHBondContact OD1-N 3.02Š|
| 138 | T | 29.6 | Very low | 33.5 | Very low | 123 Ų | 123 | 131 Ų | 131 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | | | cis | -153.5 | 143.4 | -1 | 48.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 139 | L | 32.7 | Very low | 33.5 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | | | trans | 58.2 | 132.3 | 144 | -60.1 | 167.8 | 0 | 0 | 0 | 122.8 | | |
| 140 | S | 31.6 | Very low | 33.4 | Very low | 111 Ų | 111 | 137.6 Ų | 137.6 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | -91.4 | 159.8 | 155.3 | -46 | 0 | 0 | 0 | 0 | 110.8 | | |
| 141 | P | 47.9 | Very low | 33.4 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | | -162.1 | 174.2 | 101.1 | 39 | -17.7 | 0 | 0 | 0 | 119.8 | | |
| 142 | T | 32 | Very low | 33.2 | Very low | 143 Ų | 143 | 135 Ų | 135 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | | | trans | 79.4 | 163.8 | 145.1 | 37.1 | 0 | 0 | 0 | 0 | 124.4 | | |
| 143 | K | 33.2 | Very low | 33.4 | Very low | 195 Ų | 195 | 134 Ų | 134 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | | | trans | -133.4 | 158.6 | -169.5 | -90.3 | -168.8 | 178 | -176.1 | 0 | 113.4 | | |
| 144 | P | 39.5 | Very low | 33.5 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 84% | 0.844 | 77% | 0.765 | S | S | * | * | | | trans | -110.3 | -171.6 | 140.4 | 26 | -8.1 | 0 | 0 | 0 | 111.6 | | |
| 145 | G | 31.6 | Very low | 33.5 | Very low | 69 Ų | 69 | 135.7 Ų | 135.7 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | | | cis | -157.1 | -59.8 | 1.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 146 | S | 33.2 | Very low | 34 | Very low | 105 Ų | 105 | 134.2 Ų | 134.2 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | trans | 78.2 | 166.5 | -173.4 | -147.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 147 | Q | 34.7 | Very low | 33.4 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | | | cis | -153.8 | 165.7 | 29.9 | -90.2 | -68 | -2 | 0 | 0 | 113.5 | | |
| 148 | Y | 32.8 | Very low | 33.3 | Very low | 221 Ų | 221 | 145.7 Ų | 145.7 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | | | trans | 171.1 | 93.6 | 133.5 | -102.3 | -72.7 | 0 | 0 | 0 | 114.1 | | |
| 149 | Y | 30.8 | Very low | 33.5 | Very low | 174 Ų | 174 | 149.8 Ų | 149.8 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | | | | 42.6 | 141.6 | 129.4 | -84.5 | -116 | 0 | 0 | 0 | 121.8 | | |
| 150 | Q | 26.9 | Very low | 33.7 | Very low | 121 Ų | 121 | 147.2 Ų | 147.2 | 57% | 0.565 | 77% | 0.765 | S | S | * | * | | | cis | -171.2 | 118.3 | 8.4 | -178.2 | 70.6 | -13.9 | 0 | 0 | 115.3 | | |
| 151 | Y | 31.7 | Very low | 33.4 | Very low | 181 Ų | 181 | 149.6 Ų | 149.6 | 71% | 0.71 | 77% | 0.768 | S | S | * | * | | | trans | 54.9 | 162.4 | 148 | -75.6 | -113.6 | 0 | 0 | 0 | 121.9 | | |
| 152 | S | 30.1 | Very low | 32.4 | Very low | 110 Ų | 110 | 152 Ų | 152 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | cis | -130.8 | 173.8 | 6.3 | -60.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 153 | S | 31.5 | Very low | 32 | Very low | 116 Ų | 116 | 149.8 Ų | 149.8 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | | | cis | -148.2 | -179.5 | 21 | 59.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 154 | N | 33.2 | Very low | 31.6 | Very low | 136 Ų | 136 | 146 Ų | 146 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | -104 | 160.5 | -154.8 | -63.3 | -36.6 | 0 | 0 | 0 | 117 | | |
| 155 | N | 32.2 | Very low | 31.1 | Very low | 160 Ų | 160 | 143.3 Ų | 143.3 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | | | trans | -150.7 | 119.6 | 142.8 | -151.9 | -9.3 | 0 | 0 | 0 | 112.3 | | |
| 156 | P | 42.3 | Very low | 31.1 | Very low | 117 Ų | 117 | 147.9 Ų | 147.9 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | | | trans | -98.1 | -178.5 | -169.8 | 38 | -36.6 | 0 | 0 | 0 | 116 | | |
| 157 | R | 32.3 | Very low | 30.9 | Very low | 235 Ų | 235 | 151.1 Ų | 151.1 | 89% | 0.887 | 76% | 0.755 | S | S | * | * | | | trans | -117.7 | 138.3 | -172.4 | -61.5 | 176.9 | -177.8 | 159.5 | -0.5 | 114.5 | | |
| 158 | R | 30.6 | Very low | 31.1 | Very low | 192 Ų | 192 | 150.2 Ų | 150.2 | 73% | 0.725 | 76% | 0.759 | S | S | * | * | | | trans | 67.9 | 120.2 | 150.1 | -67.9 | -175.8 | 179 | -75.9 | 6.9 | 123 | | |
| 159 | R | 32.7 | Very low | 30.9 | Very low | 209 Ų | 209 | 146.8 Ų | 146.8 | 79% | 0.789 | 75% | 0.75 | S | S | * | * | | | trans | 68.6 | 172.2 | 135.5 | -68.1 | -178.7 | 173.9 | 167.3 | -5.2 | 118.3 | | |
| 160 | P | 36.8 | Very low | 31.6 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | | | cis | -137.1 | 156.4 | -5.5 | 24.7 | -0.1 | 0 | 0 | 0 | 119.9 | | |
| 161 | L | 25.7 | Very low | 31.8 | Very low | 161 Ų | 161 | 144.5 Ų | 144.5 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | | | trans | 73.4 | 159.6 | 135.1 | -158.5 | 61.1 | 0 | 0 | 0 | 124.7 | | |
| 162 | H | 26.5 | Very low | 31.9 | Very low | 162 Ų | 162 | 144 Ų | 144 | 75% | 0.75 | 75% | 0.753 | S | S | * | * | | | trans | 80.6 | 140.2 | 170.4 | -102 | -91.7 | 0 | 0 | 0 | 117.5 | | |
| 163 | S | 22.7 | Very low | 32.5 | Very low | 97 Ų | 97 | 145.6 Ų | 145.6 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | | | cis | -142.6 | -174.1 | 7.3 | -54.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 164 | S | 26.3 | Very low | 32.8 | Very low | 116 Ų | 116 | 150.9 Ų | 150.9 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | | | trans | -55.5 | 173 | 166.1 | 55.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 165 | A | 28.5 | Very low | 33.2 | Very low | 73 Ų | 73 | 153.3 Ų | 153.3 | 60% | 0.603 | 76% | 0.764 | S | S | * | * | | | cis | -160.4 | -158.1 | 30.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 166 | M | 32.6 | Very low | 33.9 | Very low | 166 Ų | 166 | 151.8 Ų | 151.8 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | trans | -49.3 | 163.3 | 166 | 60.4 | -94.1 | 171.6 | 0 | 0 | 112.6 | | |
| 167 | E | 28.4 | Very low | 34 | Very low | 172 Ų | 172 | 151.6 Ų | 151.6 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | | -171.6 | 167.8 | 60.5 | -169 | 172 | 169.8 | 0 | 0 | 113.6 | | |
| 168 | V | 37.9 | Very low | 34.4 | Very low | 120 Ų | 120 | 146.9 Ų | 146.9 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | trans | -57.5 | 133.4 | 171.3 | 172.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 169 | Q | 29.4 | Very low | 34.7 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 70% | 0.696 | 76% | 0.763 | S | S | * | * | | | trans | -154.7 | 134.6 | 133.2 | -122.9 | 167.2 | 101 | 0 | 0 | 116.1 | | |
| 170 | T | 44.7 | Very low | 35.3 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | | | trans | -57.2 | 157.8 | 156.7 | 57.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 171 | K | 31.5 | Very low | 35.8 | Very low | 138 Ų | 138 | 139.4 Ų | 139.4 | 60% | 0.6 | 77% | 0.767 | S | S | * | * | | | | 170.6 | 151.9 | 125.9 | -94.5 | 147.5 | -159.7 | 172.7 | 0 | 116.9 | | |
| 172 | K | 33.2 | Very low | 36.2 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 74% | 0.739 | 76% | 0.761 | S | S | * | * | | | trans | 72.2 | 97.5 | 143.2 | -70.6 | 159.1 | -167.5 | 174.3 | 0 | 119.3 | | |
| 173 | V | 43.1 | Very low | 36.9 | Very low | 144 Ų | 144 | 134 Ų | 134 | 87% | 0.873 | 76% | 0.761 | S | S | * | * | | | trans | -35.5 | 134.1 | 130.4 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 174 | R | 37.9 | Very low | 37.3 | Very low | 228 Ų | 228 | 135.2 Ų | 135.2 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | | | trans | -127 | 106.2 | 163 | -108.2 | 175.3 | 166.5 | 133.8 | -5.8 | 107.1 | | |
| 175 | K | 41.9 | Very low | 37.5 | Very low | 186 Ų | 186 | 139.1 Ų | 139.1 | 81% | 0.809 | 76% | 0.762 | S | S | * | * | | | | 74 | 79.3 | 84.5 | -167.9 | 78.3 | 172.8 | -177.2 | 0 | 111.1 | | |
| 176 | V | 47.5 | Very low | 37.9 | Very low | 129 Ų | 129 | 139.5 Ų | 139.5 | 78% | 0.782 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 143.5 | 170.6 | -172.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 177 | P | 43 | Very low | 37.9 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -64 | 149.5 | 173.6 | -22.6 | 34.8 | 0 | 0 | 0 | 113.2 | | |
| 178 | P | 42.4 | Very low | 37.9 | Very low | 136 Ų | 136 | 134.3 Ų | 134.3 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 136.1 | -178.5 | 33.2 | -33.7 | 0 | 0 | 0 | 112.9 | | |
| 179 | G | 36.5 | Very low | 37.9 | Very low | 80 Ų | 80 | 133.3 Ų | 133.3 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | | | trans | -178.9 | 70.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 180 | L | 44.3 | Very low | 38 | Very low | 166 Ų | 166 | 131.9 Ų | 131.9 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | | | trans | -26.3 | 161.6 | 174.1 | -69.4 | 161.2 | 0 | 0 | 0 | 119.3 | | |
| 181 | P | 47.4 | Very low | 37.7 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | | | cis | -134.6 | 137.6 | -3.6 | 32.6 | -12.1 | 0 | 0 | 0 | 117.5 | | |
| 182 | S | 35.3 | Very low | 37.8 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | 16.2 | 116.4 | 130.5 | -179.7 | 0 | 0 | 0 | 0 | 121.7 | | |
| 183 | S | 39.8 | Very low | 38 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | | -161.1 | 125.5 | 115.5 | -104.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 184 | V | 31.8 | Very low | 37.4 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | | | | 64.2 | 120.2 | 79.3 | 177 | 0 | 0 | 0 | 0 | 110.3 | | |
| 185 | Y | 31.6 | Very low | 37.2 | Very low | 198 Ų | 198 | 129.5 Ų | 129.5 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | cis | -144.4 | 158.2 | 30.9 | -173.3 | -106.2 | 0 | 0 | 0 | 112.6 | P187 | Y185-P187 HydrophobicContact CD1-CG 4.28Å; Y185-P187 HydrophobicContact CE1-CB 4.35Å; Y185-P187 HydrophobicContact CE1-CG 4.3Å |
| 186 | A | 35 | Very low | 36.9 | Very low | 82 Ų | 82 | 130.5 Ų | 130.5 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | | | trans | -124 | 124.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | S188 | A186-S188 PolarHBondContact O-N 3.25Š|
| 187 | P | 32.8 | Very low | 36.1 | Very low | 117 Ų | 117 | 130 Ų | 130 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 118.7 | 174.3 | -15.6 | 30.3 | 0 | 0 | 0 | 110.6 | Y185 | Y185-P187 HydrophobicContact CD1-CG 4.28Å; Y185-P187 HydrophobicContact CE1-CB 4.35Å; Y185-P187 HydrophobicContact CE1-CG 4.3Å |
| 188 | S | 29.1 | Very low | 35.5 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 150 | 167.3 | -172.5 | 0 | 0 | 0 | 0 | 110 | A186 | A186-S188 PolarHBondContact O-N 3.25Š|
| 189 | A | 38.8 | Very low | 35.6 | Very low | 99 Ų | 99 | 129.9 Ų | 129.9 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 140.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 190 | S | 30.6 | Very low | 35.3 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | -155.4 | 161.9 | 162.1 | -161.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 191 | T | 37.8 | Very low | 34.6 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | -66.5 | 150.2 | -168 | -174.2 | 0 | 0 | 0 | 0 | 116.1 | | |
| 192 | A | 34.3 | Very low | 34.4 | Very low | 96 Ų | 96 | 132.4 Ų | 132.4 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | | | trans | -160.5 | 114.4 | 142.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 193 | D | 36.8 | Very low | 34.2 | Very low | 143 Ų | 143 | 131.5 Ų | 131.5 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | | | trans | -70.6 | 134.5 | 171.2 | -57.9 | -99.8 | 0 | 0 | 0 | 111.6 | | |
| 194 | Y | 31.4 | Very low | 33.8 | Very low | 241 Ų | 241 | 132.2 Ų | 132.2 | 95% | 0.945 | 78% | 0.775 | S | S | * | * | | | trans | -142.6 | 138.3 | 149.7 | -104.9 | -78 | 0 | 0 | 0 | 111 | | |
| 195 | N | 33.7 | Very low | 34.2 | Very low | 144 Ų | 144 | 136.1 Ų | 136.1 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | trans | -131.3 | 130 | -166.6 | 163.8 | 13.7 | 0 | 0 | 0 | 109.1 | | |
| 196 | R | 35.9 | Very low | 34.2 | Very low | 207 Ų | 207 | 132.8 Ų | 132.8 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | | | trans | -163.5 | 145.7 | 145.1 | -114.6 | 173.3 | 179.4 | -89 | 2 | 114.5 | | |
| 197 | D | 30.5 | Very low | 34.1 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 63% | 0.626 | 79% | 0.79 | S | S | * | * | | | trans | 69.5 | 69.8 | 148.6 | -53.5 | -32.9 | 0 | 0 | 0 | 119.2 | | |
| 198 | S | 30.6 | Very low | 34.1 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | | 5 | 161.7 | 127 | -60.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 199 | P | 43.3 | Very low | 34.1 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | | | cis | -141.3 | 166.9 | 20.9 | 41.2 | -22.8 | 0 | 0 | 0 | 118.3 | | |
| 200 | G | 29.8 | Very low | 33.8 | Very low | 77 Ų | 77 | 135.6 Ų | 135.6 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | | | trans | 141.9 | 106.5 | 156.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 201 | Y | 31 | Very low | 33.9 | Very low | 216 Ų | 216 | 139 Ų | 139 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | | | trans | -140.2 | 169.3 | 167.5 | -100.6 | -56.2 | 0 | 0 | 0 | 107.7 | | |
| 202 | P | 41.7 | Very low | 33.9 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | cis | -107.4 | 158.3 | 15.1 | 42.4 | -33.9 | 0 | 0 | 0 | 112.9 | | |
| 203 | S | 32.3 | Very low | 33.5 | Very low | 85 Ų | 85 | 140 Ų | 140 | 59% | 0.594 | 80% | 0.795 | S | S | * | * | | | cis | 70.9 | 114.2 | 45.4 | -167.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 204 | S | 31.3 | Very low | 33.3 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | trans | -159.3 | 115.6 | 166.2 | -80.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 205 | K | 38.9 | Very low | 33.3 | Very low | 204 Ų | 204 | 134.1 Ų | 134.1 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 146.6 | 165.6 | -66.1 | 178 | 177.9 | 177.7 | 0 | 109.2 | | |
| 206 | P | 33.1 | Very low | 33.2 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 159 | 143.6 | 34.1 | -28.8 | 0 | 0 | 0 | 110.9 | | |
| 207 | A | 31.8 | Very low | 33.1 | Very low | 93 Ų | 93 | 133.7 Ų | 133.7 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 169.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 208 | T | 32.9 | Very low | 33 | Very low | 141 Ų | 141 | 135.2 Ų | 135.2 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -51 | 139 | 168.4 | 47.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 209 | S | 30.5 | Very low | 32.9 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | -125.9 | 151.5 | 173.7 | -173.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 210 | T | 32 | Very low | 32.2 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 71% | 0.712 | 77% | 0.774 | S | S | * | * | | | trans | -132.1 | 89.6 | -166.8 | -54.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 211 | F | 31.7 | Very low | 32.5 | Very low | 190 Ų | 190 | 138 Ų | 138 | 83% | 0.833 | 77% | 0.774 | S | S | * | * | | | trans | 61.6 | 179.5 | 165 | -59.1 | -68.1 | 0 | 0 | 0 | 115.1 | | |
| 212 | P | 39.5 | Very low | 32.8 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | | -135.8 | 171.6 | -105.4 | 32.5 | -8.8 | 0 | 0 | 0 | 116 | | |
| 213 | S | 25.9 | Very low | 32.3 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | 163.2 | 137.3 | 130.2 | -171.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 214 | S | 32.6 | Very low | 32.6 | Very low | 82 Ų | 82 | 137 Ų | 137 | 57% | 0.573 | 78% | 0.779 | S | S | * | * | | | trans | 20.3 | 127.1 | 150 | -150.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 215 | F | 30.8 | Very low | 32.7 | Very low | 178 Ų | 178 | 136.2 Ų | 136.2 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | | | | -163.5 | 139.5 | 68.1 | -104.8 | -96.2 | 0 | 0 | 0 | 112.6 | | |
| 216 | F | 31.3 | Very low | 32.7 | Very low | 181 Ų | 181 | 131.4 Ų | 131.4 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | | | trans | 39.1 | 111.5 | 155.8 | -80.2 | -115.8 | 0 | 0 | 0 | 120.5 | | |
| 217 | M | 33 | Very low | 33.1 | Very low | 161 Ų | 161 | 136 Ų | 136 | 79% | 0.793 | 76% | 0.756 | S | S | * | * | | | | -179.5 | 158.6 | 103 | -95.7 | -174.7 | 73.9 | 0 | 0 | 112.6 | | |
| 218 | Q | 28.7 | Very low | 33.1 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | | | trans | 58.5 | 117.5 | 157.7 | -134.8 | 69 | 21.7 | 0 | 0 | 122 | | |
| 219 | D | 27.9 | Very low | 33 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | | | trans | 58.3 | 158 | 149.8 | -91.2 | -62.5 | 0 | 0 | 0 | 122.8 | | |
| 220 | G | 29.8 | Very low | 33.2 | Very low | 68 Ų | 68 | 135.7 Ų | 135.7 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | | | trans | 133.4 | 99.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 221 | H | 35.1 | Very low | 33.4 | Very low | 172 Ų | 172 | 135.8 Ų | 135.8 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | | | trans | -69.1 | 152.5 | 175.6 | -63.7 | -99.1 | 0 | 0 | 0 | 114 | | |
| 222 | H | 37.4 | Very low | 33.4 | Very low | 192 Ų | 192 | 130.8 Ų | 130.8 | 89% | 0.889 | 76% | 0.762 | S | S | * | * | | | | -160.1 | 121.6 | 124.2 | 38.3 | -76.8 | 0 | 0 | 0 | 111.1 | | |
| 223 | S | 31.6 | Very low | 33.1 | Very low | 94 Ų | 94 | 133.1 Ų | 133.1 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | | | trans | -113.1 | 157.4 | 175.8 | 60.5 | 0 | 0 | 0 | 0 | 111 | | |
| 224 | S | 38.1 | Very low | 33.4 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | | | trans | -58 | 152.9 | 177.7 | 51.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 225 | D | 35.2 | Very low | 33.3 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 56% | 0.561 | 77% | 0.768 | S | S | * | * | | | trans | -61 | 148.2 | 178.2 | -169.9 | 71.2 | 0 | 0 | 0 | 113.3 | | |
| 226 | P | 37.9 | Very low | 34 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -94.1 | -0.1 | -165.9 | 36 | -34 | 0 | 0 | 0 | 116 | S228 | P226-S228 PolarHBondContact O-N 3.1Š|
| 227 | W | 40.8 | Very low | 33.9 | Very low | 224 Ų | 224 | 129 Ų | 129 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | | | trans | -95.3 | 72 | -173.2 | -72.3 | 88.7 | 0 | 0 | 0 | 114.2 | | |
| 228 | S | 31.8 | Very low | 33.8 | Very low | 117 Ų | 117 | 133 Ų | 133 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | -153.9 | 111.4 | 158.5 | -86 | 0 | 0 | 0 | 0 | 113.8 | P226 | P226-S228 PolarHBondContact O-N 3.1Š|
| 229 | S | 30.6 | Very low | 34 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | | | trans | -154.3 | 147.4 | 160.3 | -78.4 | 0 | 0 | 0 | 0 | 106.7 | | |
| 230 | S | 36.2 | Very low | 34.3 | Very low | 102 Ų | 102 | 127.4 Ų | 127.4 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | | | cis | -154.3 | 178.1 | 28 | 67.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 231 | S | 34.8 | Very low | 34.6 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | trans | 75.3 | 101.9 | 146.3 | -54.1 | 0 | 0 | 0 | 0 | 119.5 | | |
| 232 | G | 31.9 | Very low | 34.7 | Very low | 86 Ų | 86 | 132 Ų | 132 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | | | trans | -166.5 | 120.8 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 233 | M | 33.9 | Very low | 34.4 | Very low | 167 Ų | 167 | 126.5 Ų | 126.5 | 82% | 0.823 | 78% | 0.781 | S | S | * | * | | | trans | -128.1 | 135.2 | -167.7 | -173.7 | 106.3 | 78.2 | 0 | 0 | 111.2 | | |
| 234 | N | 31.9 | Very low | 34.4 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | trans | 67.9 | 143.8 | 171.5 | -69.5 | -44.3 | 0 | 0 | 0 | 116.3 | | |
| 235 | Q | 31.6 | Very low | 34.1 | Very low | 159 Ų | 159 | 129.4 Ų | 129.4 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | | | cis | -139 | -142.6 | -14.6 | -89.6 | -81 | -24.1 | 0 | 0 | 108.2 | | |
| 236 | P | 43.6 | Very low | 33.9 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | | | | -127.5 | 157.8 | -115.4 | 37.3 | -16.6 | 0 | 0 | 0 | 117.8 | | |
| 237 | G | 30.9 | Very low | 33.6 | Very low | 69 Ų | 69 | 131.9 Ų | 131.9 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | | | trans | 78 | 113.4 | 143.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 238 | Y | 31.2 | Very low | 33.2 | Very low | 246 Ų | 246 | 128.8 Ų | 128.8 | 97% | 0.965 | 80% | 0.795 | S | S | * | * | | | | -174.3 | 165.7 | 112 | -112.9 | -86.7 | 0 | 0 | 0 | 109.7 | | |
| 239 | A | 32.6 | Very low | 33.6 | Very low | 98 Ų | 98 | 129 Ų | 129 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | | | trans | -112 | 147.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 240 | G | 34.1 | Very low | 33.8 | Very low | 75 Ų | 75 | 132 Ų | 132 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | 170.9 | 71.8 | 179 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 241 | M | 35.2 | Very low | 33.5 | Very low | 168 Ų | 168 | 132.7 Ų | 132.7 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | | | trans | 21.5 | 139.6 | 149.6 | -65.1 | -164.7 | 76.7 | 0 | 0 | 123.7 | | |
| 242 | L | 37.3 | Very low | 33.5 | Very low | 169 Ų | 169 | 132.6 Ų | 132.6 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | | | trans | 75.1 | 147.5 | 158.4 | -59.7 | 160.5 | 0 | 0 | 0 | 117.9 | | |
| 243 | G | 31.5 | Very low | 33.4 | Very low | 77 Ų | 77 | 133.8 Ų | 133.8 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | | | trans | 179.3 | -61.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 244 | N | 30.5 | Very low | 33.1 | Very low | 169 Ų | 169 | 136.5 Ų | 136.5 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | | | trans | 73.8 | 158.7 | -174.3 | -153.6 | 32.2 | 0 | 0 | 0 | 117.6 | | |
| 245 | S | 32.7 | Very low | 33.1 | Very low | 96 Ų | 96 | 135 Ų | 135 | 67% | 0.671 | 79% | 0.794 | S | S | * | * | | | trans | -83.5 | 171.9 | -172.4 | -150.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 246 | S | 31.2 | Very low | 32.9 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | | | cis | -163.8 | 176.3 | 32.5 | -46.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 247 | H | 30.6 | Very low | 32.4 | Very low | 170 Ų | 170 | 136 Ų | 136 | 79% | 0.787 | 81% | 0.807 | S | S | * | * | | | trans | 63.8 | 117.2 | 145.2 | 85.2 | -31.2 | 0 | 0 | 0 | 122.2 | | |
| 248 | I | 33.1 | Very low | 33 | Very low | 159 Ų | 159 | 141.5 Ų | 141.5 | 82% | 0.815 | 81% | 0.814 | S | S | * | * | | | trans | -170.1 | 126.4 | 135.5 | -92.2 | 145.8 | 0 | 0 | 0 | 107.8 | | |
| 249 | P | 39.2 | Very low | 33.4 | Very low | 121 Ų | 121 | 135 Ų | 135 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | | | trans | -110.8 | 163.3 | 154.7 | 36.4 | -28.6 | 0 | 0 | 0 | 111.6 | | |
| 250 | Q | 36.4 | Very low | 33.4 | Very low | 192 Ų | 192 | 137.8 Ų | 137.8 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | | | trans | -85 | 160.6 | 178.8 | -61.2 | 177.4 | -14.6 | 0 | 0 | 112.3 | | |
| 251 | S | 30 | Very low | 33.2 | Very low | 115 Ų | 115 | 142 Ų | 142 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -143.4 | 155.1 | 146 | 72.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 252 | S | 34.9 | Very low | 33.2 | Very low | 116 Ų | 116 | 145.8 Ų | 145.8 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | | | trans | -104.3 | 159.2 | 169.9 | -172.1 | 0 | 0 | 0 | 0 | 109 | | |
| 253 | S | 28.5 | Very low | 33.3 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | | | trans | -140.9 | 141.9 | 178.9 | -70 | 0 | 0 | 0 | 0 | 111.7 | | |
| 254 | Y | 28.7 | Very low | 33.1 | Very low | 223 Ų | 223 | 147.8 Ų | 147.8 | 88% | 0.875 | 80% | 0.804 | S | S | * | * | | | trans | -108.4 | 180 | -177.3 | -139.8 | -103.5 | 0 | 0 | 0 | 111.4 | | |
| 255 | C | 31.1 | Very low | 33.1 | Very low | 102 Ų | 102 | 150.3 Ų | 150.3 | 69% | 0.689 | 80% | 0.802 | S | S | * | * | | | trans | -40 | 147.8 | -173.9 | -55.9 | 0 | 0 | 0 | 0 | 118.5 | | |
| 256 | S | 27.9 | Very low | 33.9 | Very low | 123 Ų | 123 | 151.2 Ų | 151.2 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | trans | -157.1 | 165.1 | 142.1 | -82.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 257 | L | 33.1 | Very low | 33.7 | Very low | 166 Ų | 166 | 150.7 Ų | 150.7 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | | | trans | -95.9 | 168.7 | -162.3 | -64.7 | 87.3 | 0 | 0 | 0 | 114.7 | | |
| 258 | H | 43.3 | Very low | 33.8 | Very low | 184 Ų | 184 | 150.5 Ų | 150.5 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | | | trans | -60.3 | 159.1 | 166.1 | -80.5 | -104.7 | 0 | 0 | 0 | 113.2 | | |
| 259 | P | 39.9 | Very low | 33.6 | Very low | 109 Ų | 109 | 148.4 Ų | 148.4 | 71% | 0.708 | 80% | 0.801 | S | S | * | * | | | | -131.8 | 139.1 | 127.4 | 35.6 | -26.7 | 0 | 0 | 0 | 114.4 | | |
| 260 | H | 32.8 | Very low | 33.2 | Very low | 157 Ų | 157 | 148.9 Ų | 148.9 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | 23.5 | 116.3 | 153.1 | -55.9 | -67.5 | 0 | 0 | 0 | 119.8 | | |
| 261 | E | 29.7 | Very low | 33.2 | Very low | 165 Ų | 165 | 143.2 Ų | 143.2 | 77% | 0.771 | 79% | 0.793 | S | S | * | * | | | | 67.4 | 129 | 73.6 | -68.9 | -176.8 | 132.1 | 0 | 0 | 115.7 | | |
| 262 | R | 35.1 | Very low | 33.4 | Very low | 246 Ų | 246 | 144.8 Ų | 144.8 | 93% | 0.928 | 79% | 0.792 | S | S | * | * | | | trans | -133.9 | 134.1 | 154.2 | -82.8 | -172.4 | 170.2 | -91.9 | -3 | 108.7 | | |
| 263 | L | 38.9 | Very low | 33.8 | Very low | 171 Ų | 171 | 146.5 Ų | 146.5 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | | | trans | -76.4 | 150.4 | -172.3 | -65 | 75.6 | 0 | 0 | 0 | 112.3 | | |
| 264 | S | 26.6 | Very low | 34 | Very low | 117 Ų | 117 | 149.1 Ų | 149.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -152.4 | 123.8 | 153.8 | -162.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 265 | Y | 32 | Very low | 34.4 | Very low | 223 Ų | 223 | 143.6 Ų | 143.6 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | | | trans | -168 | 169.8 | -179.5 | -97 | -59 | 0 | 0 | 0 | 106.9 | | |
| 266 | P | 49.5 | Very low | 34.6 | Very low | 114 Ų | 114 | 144 Ų | 144 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | | | cis | -96.3 | -159.1 | 6 | 41.1 | -33.9 | 0 | 0 | 0 | 111.7 | | |
| 267 | S | 26.3 | Very low | 35.5 | Very low | 79 Ų | 79 | 145.4 Ų | 145.4 | 55% | 0.552 | 79% | 0.791 | S | S | * | * | | | cis | -164.1 | 176.8 | 10.8 | -149.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 268 | H | 33.2 | Very low | 35.8 | Very low | 166 Ų | 166 | 143.1 Ų | 143.1 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | trans | 59.2 | 109 | 153.2 | -57.1 | -48.1 | 0 | 0 | 0 | 122.4 | | |
| 269 | S | 29.1 | Very low | 36.1 | Very low | 116 Ų | 116 | 140 Ų | 140 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | | | | 56.3 | 101.4 | 122.9 | -51.1 | 0 | 0 | 0 | 0 | 121.2 | | |
| 270 | S | 29.3 | Very low | 35.8 | Very low | 130 Ų | 130 | 144 Ų | 144 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | | | | -150.2 | 170.8 | 122.3 | -162.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 271 | A | 37.9 | Very low | 35.9 | Very low | 73 Ų | 73 | 142 Ų | 142 | 60% | 0.603 | 80% | 0.797 | S | S | * | * | | | trans | -91.4 | 179 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 272 | D | 33.9 | Very low | 35.9 | Very low | 148 Ų | 148 | 139.9 Ų | 139.9 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | | | trans | 86.6 | 153.1 | 156.6 | -55 | -43.4 | 0 | 0 | 0 | 120.8 | | |
| 273 | I | 43.4 | Very low | 35.8 | Very low | 152 Ų | 152 | 137.2 Ų | 137.2 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | trans | 57.6 | 88.2 | 170.3 | -27.1 | -179.3 | 0 | 0 | 0 | 116.8 | | |
| 274 | N | 33.1 | Very low | 35.6 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | | | trans | -125.2 | 103.2 | 153 | -122.3 | -43.7 | 0 | 0 | 0 | 110.2 | S276 | N274-S276 PolarHBondContact O-N 3.44Å; N274-S276 VanDerWaalsContact O-N 3.11Å |
| 275 | S | 35.7 | Very low | 36 | Very low | 107 Ų | 107 | 143.6 Ų | 143.6 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | -73.2 | 98.5 | -180 | -59.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 276 | S | 36.6 | Very low | 35.9 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 140.6 | 179.4 | -175.1 | 0 | 0 | 0 | 0 | 112.3 | N274 | N274-S276 PolarHBondContact O-N 3.44Å; N274-S276 VanDerWaalsContact O-N 3.11Å |
| 277 | L | 45.7 | Very low | 35.1 | Very low | 151 Ų | 151 | 136 Ų | 136 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 146.4 | 161.7 | -62.5 | 169.2 | 0 | 0 | 0 | 110 | P279 | L277-P279 WeakPolarHBondContact O-CD 3.42Š|
| 278 | P | 40.4 | Very low | 35.3 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 121.2 | 174.1 | 30 | -32.5 | 0 | 0 | 0 | 110.9 | | |
| 279 | P | 48.9 | Very low | 35.3 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 150.6 | 165.3 | 30.7 | -33.6 | 0 | 0 | 0 | 110.4 | L277 S281 | L277-P279 WeakPolarHBondContact O-CD 3.42Å; P279-S281 PolarHBondContact O-N 3.15Å |
| 280 | M | 33 | Very low | 35.4 | Very low | 194 Ų | 194 | 138.1 Ų | 138.1 | 96% | 0.956 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 127.4 | 178.6 | -67 | 169.5 | 60.1 | 0 | 0 | 111 | | |
| 281 | S | 34.8 | Very low | 35.5 | Very low | 113 Ų | 113 | 142.6 Ų | 142.6 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 123.5 | 176.6 | -173.6 | 0 | 0 | 0 | 0 | 111.4 | P279 | P279-S281 PolarHBondContact O-N 3.15Š|
| 282 | T | 29.9 | Very low | 35 | Very low | 122 Ų | 122 | 144 Ų | 144 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 130.7 | 167.8 | -65.1 | 0 | 0 | 0 | 0 | 109 | H284 | T282-H284 PolarHBondContact O-N 3.17Š|
| 283 | F | 33.7 | Very low | 34.7 | Very low | 190 Ų | 190 | 143.2 Ų | 143.2 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 123.2 | -178.4 | -82.1 | -94.2 | 0 | 0 | 0 | 113.4 | | |
| 284 | H | 35.2 | Very low | 34 | Very low | 178 Ų | 178 | 141 Ų | 141 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | | | trans | -140.8 | 112.1 | 145.5 | -71 | -61.9 | 0 | 0 | 0 | 111.4 | T282 | T282-H284 PolarHBondContact O-N 3.17Š|
| 285 | R | 34.1 | Very low | 33.7 | Very low | 243 Ų | 243 | 138.1 Ų | 138.1 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | | | trans | 27.7 | 138.6 | 141.7 | -163.8 | -178.5 | -160.8 | -87.5 | 3.9 | 120.2 | | |
| 286 | S | 30.6 | Very low | 33.4 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | cis | 175.1 | 124.5 | -18.9 | 175.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 287 | G | 31.5 | Very low | 33.2 | Very low | 68 Ų | 68 | 140.3 Ų | 140.3 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | | | trans | 73.9 | 164.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 288 | T | 32.1 | Very low | 32.9 | Very low | 127 Ų | 127 | 139 Ų | 139 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | cis | -159.1 | 127.8 | -7.4 | -75.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 289 | N | 32.3 | Very low | 33.8 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 68% | 0.679 | 80% | 0.795 | S | S | * | * | | | trans | 39.5 | 125.4 | 153.3 | -65.6 | -3.7 | 0 | 0 | 0 | 124.4 | | |
| 290 | H | 31.6 | Very low | 32.9 | Very low | 150 Ų | 150 | 139 Ų | 139 | 69% | 0.694 | 80% | 0.801 | S | S | * | * | | | trans | 54.9 | 122.7 | 145.2 | -41.2 | 134.7 | 0 | 0 | 0 | 119.4 | | |
| 291 | Y | 31 | Very low | 33 | Very low | 224 Ų | 224 | 136.8 Ų | 136.8 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | | | | -166.9 | 178.3 | 65.3 | -104.2 | -79.7 | 0 | 0 | 0 | 112.7 | | |
| 292 | S | 28.6 | Very low | 32.8 | Very low | 103 Ų | 103 | 133.4 Ų | 133.4 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | | | trans | -100.3 | 149.6 | -168.8 | -40.3 | 0 | 0 | 0 | 0 | 115.1 | | |
| 293 | T | 27.5 | Very low | 33.1 | Very low | 132 Ų | 132 | 130.9 Ų | 130.9 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | | | | 176.8 | 129.8 | 115.5 | 36 | 0 | 0 | 0 | 0 | 114.8 | | |
| 294 | S | 27.6 | Very low | 33.1 | Very low | 105 Ų | 105 | 128.2 Ų | 128.2 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | | | trans | 41.7 | 116.9 | 130.5 | -47.9 | 0 | 0 | 0 | 0 | 124.7 | | |
| 295 | S | 28 | Very low | 32.8 | Very low | 107 Ų | 107 | 124.3 Ų | 124.3 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | | | | 88.3 | 117.4 | 121.3 | -59.8 | 0 | 0 | 0 | 0 | 124.3 | | |
| 296 | C | 28.5 | Very low | 32.7 | Very low | 129 Ų | 129 | 119.2 Ų | 119.2 | 87% | 0.872 | 74% | 0.737 | S | S | * | * | | | trans | 74.3 | 137.2 | 131.7 | -58.3 | 0 | 0 | 0 | 0 | 123 | | |
| 297 | T | 32.5 | Very low | 32.7 | Very low | 135 Ų | 135 | 122.4 Ų | 122.4 | 83% | 0.828 | 74% | 0.742 | S | S | * | * | | | trans | -95.6 | 158.7 | 174.8 | 55.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 298 | P | 39.5 | Very low | 32.7 | Very low | 124 Ų | 124 | 124.4 Ų | 124.4 | 81% | 0.805 | 75% | 0.752 | S | S | * | * | | | | -149.4 | 178.2 | 90.4 | 36.4 | -16 | 0 | 0 | 0 | 115.4 | | |
| 299 | P | 59.5 | Low | 33 | Very low | 130 Ų | 130 | 125.2 Ų | 125.2 | 84% | 0.844 | 75% | 0.752 | S | S | * | * | | | trans | -108 | 175.7 | -171.8 | 41 | -35 | 0 | 0 | 0 | 115.9 | | |
| 300 | A | 30.3 | Very low | 33.2 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 88% | 0.884 | 76% | 0.762 | S | S | * | * | | | trans | -143.8 | 164.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 301 | N | 33.6 | Very low | 33.2 | Very low | 148 Ų | 148 | 127.1 Ų | 127.1 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | trans | -130.8 | 164.9 | -167.4 | -165 | 23.7 | 0 | 0 | 0 | 112.5 | S54 | S54-N301 WeakPolarHBondContact CB-O 3.47Å; S54-N301 PolarHBondContact OG-O 3.2Å |
| 302 | G | 30.6 | Very low | 33.6 | Very low | 42 Ų | 42 | 122.9 Ų | 122.9 | 43% | 0.433 | 77% | 0.771 | S | S | . | * | | | trans | -163.3 | 168.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | S54 | S54-G302 WeakPolarHBondContact OG-CA 3.4Š|
| 303 | T | 36.7 | Very low | 33.7 | Very low | 68 Ų | 68 | 121.7 Ų | 121.7 | 42% | 0.417 | 78% | 0.775 | S | S | . | * | B | Isolated β-bridge | trans | -143.1 | -152.2 | -159.6 | 41.6 | 0 | 0 | 0 | 0 | 110.5 | R53 S54 | R53-T303 PolarHBondContact N-O 3.34Å; R53-T303 CarbonylContact O-C 3.11Å; R53-T303 WeakPolarHBondContact O-CA 3.5Å; R53-T303 PolarHBondContact O-N 3.42Å; R53-T303 VanDerWaalsContact O-O 3.05Å; R53-T303 PolarHBondContact O-OG1 3.4Å; S54-T303 WeakPolarHBondContact CA-OG1 3.42Å |
| 304 | D | 34 | Very low | 34.1 | Very low | 134 Ų | 134 | 120.5 Ų | 120.5 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | | | | -140.3 | -170.1 | -89.7 | -69.5 | -29.8 | 0 | 0 | 0 | 107 | | |
| 305 | S | 29.3 | Very low | 34.5 | Very low | 97 Ų | 97 | 120.7 Ų | 120.7 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | | | cis | -170.2 | -174.7 | 13.1 | -150.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 306 | I | 32.2 | Very low | 34.8 | Very low | 135 Ų | 135 | 119.2 Ų | 119.2 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | | | trans | 79.3 | 129.2 | 146.8 | -78.7 | 163.8 | 0 | 0 | 0 | 121.3 | | |
| 307 | M | 30 | Very low | 35.8 | Very low | 179 Ų | 179 | 119 Ų | 119 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | | | trans | 52.3 | 112.5 | 156.1 | -77.8 | -174.1 | -87 | 0 | 0 | 122.2 | | |
| 308 | A | 31.1 | Very low | 36.4 | Very low | 110 Ų | 110 | 117.2 Ų | 117.2 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | | | | -159.6 | 149.5 | 105.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 309 | N | 37.7 | Very low | 37.1 | Very low | 143 Ų | 143 | 120 Ų | 120 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | | | trans | -139.2 | 128.6 | 178.8 | 167.1 | 15.4 | 0 | 0 | 0 | 110.1 | | |
| 310 | R | 37.4 | Very low | 37 | Very low | 239 Ų | 239 | 118.3 Ų | 118.3 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | | | trans | 157.3 | 147.3 | 142.2 | -86 | 153.5 | -168.7 | -111 | 2.9 | 110.7 | | |
| 311 | G | 31.6 | Very low | 38.4 | Very low | 79 Ų | 79 | 115.5 Ų | 115.5 | 81% | 0.814 | 75% | 0.752 | S | S | * | * | | | trans | 160.5 | 48.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 312 | S | 38.8 | Very low | 39.8 | Very low | 134 Ų | 134 | 114.2 Ų | 114.2 | 94% | 0.937 | 75% | 0.745 | S | S | * | * | | | trans | -72 | 129.2 | 168.2 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 313 | G | 31.5 | Very low | 41.4 | Very low | 78 Ų | 78 | 115.4 Ų | 115.4 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | trans | -162.3 | 110.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 314 | A | 34.9 | Very low | 42.9 | Very low | 108 Ų | 108 | 117.2 Ų | 117.2 | 89% | 0.893 | 76% | 0.757 | S | S | * | * | | | trans | -80.2 | 145.4 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 315 | A | 36.3 | Very low | 44.7 | Very low | 108 Ų | 108 | 112.9 Ų | 112.9 | 89% | 0.893 | 74% | 0.744 | S | S | * | * | | | | 172.1 | 121.2 | 123.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 316 | G | 35.7 | Very low | 46.7 | Very low | 76 Ų | 76 | 115.8 Ų | 115.8 | 78% | 0.784 | 74% | 0.744 | S | S | * | * | | | trans | 164.3 | 94.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 317 | S | 48.1 | Very low | 48.2 | Very low | 126 Ų | 126 | 112 Ų | 112 | 88% | 0.881 | 73% | 0.734 | S | S | * | * | | | trans | -70.3 | 135.4 | -179.9 | -174.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 318 | S | 46.3 | Very low | 49.9 | Very low | 96 Ų | 96 | 108.7 Ų | 108.7 | 67% | 0.671 | 72% | 0.719 | S | S | * | * | | | trans | -155.1 | 128.2 | 169.3 | -79.2 | 0 | 0 | 0 | 0 | 111 | T320 | S318-T320 PolarHBondContact O-N 3.29Š|
| 319 | Q | 54.3 | Low | 51.2 | Low | 184 Ų | 184 | 106.1 Ų | 106.1 | 86% | 0.86 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 8.4 | -168.4 | -163.9 | 173.9 | -19.7 | 0 | 0 | 114.9 | | |
| 320 | T | 56.3 | Low | 52.2 | Low | 94 Ų | 94 | 103.8 Ų | 103.8 | 58% | 0.577 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -24.7 | -172.3 | -35.5 | 0 | 0 | 0 | 0 | 113.1 | S318 | S318-T320 PolarHBondContact O-N 3.29Š|
| 321 | G | 61 | Low | 53.5 | Low | 47 Ų | 47 | 98 Ų | 98 | 49% | 0.485 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -65.3 | -46.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A323 L324 G325 | G321-A323 VanDerWaalsContact C-N 3.29Å; G321-A323 PolarHBondContact O-N 3.07Å; G321-L324 PolarHBondContact O-N 3.04Å; G321-G325 PolarHBondContact O-N 3.36Å |
| 322 | D | 62.5 | Low | 54.5 | Low | 122 Ų | 122 | 104 Ų | 104 | 65% | 0.652 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -66.7 | -29.7 | -174.7 | -58.5 | -42.2 | 0 | 0 | 0 | 113.1 | K326 | D322-K326 WeakPolarHBondContact O-CB 3.31Å; D322-K326 VanDerWaalsContact O-CG 3.31Å; D322-K326 WeakPolarHBondContact O-CG 3.31Å; D322-K326 PolarHBondContact O-N 3.32Å; D322-K326 VanDerWaalsContact O-N 3.07Å |
| 323 | A | 64.3 | Low | 54.7 | Low | 66 Ų | 66 | 101.3 Ų | 101.3 | 55% | 0.545 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -68.8 | -45.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | G321 A327 | G321-A323 VanDerWaalsContact C-N 3.29Å; G321-A323 PolarHBondContact O-N 3.07Å; A323-A327 WeakPolarHBondContact O-CB 3.39Å; A323-A327 PolarHBondContact O-N 3Å |
| 324 | L | 68.4 | Low | 55.6 | Low | 107 Ų | 107 | 102.4 Ų | 102.4 | 56% | 0.56 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -67.2 | -41.1 | 175.4 | -77.1 | 166.3 | 0 | 0 | 0 | 111.8 | G321 K326 A327 L328 | G321-L324 PolarHBondContact O-N 3.04Å; L324-K326 PolarHBondContact O-N 3.33Å; L324-A327 PolarHBondContact O-N 3.35Å; L324-L328 WeakPolarHBondContact O-CB 3.1Å; L324-L328 VanDerWaalsContact O-CG 3.29Å; L324-L328 WeakPolarHBondContact O-CG 3.39Å; L324-L328 PolarHBondContact O-N 3.33Å |
| 325 | G | 72.1 | Confident | 56.2 | Low | 43 Ų | 43 | 104.6 Ų | 104.6 | 44% | 0.443 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -58.6 | -44.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G321 A329 | G321-G325 PolarHBondContact O-N 3.36Å; G325-A329 WeakPolarHBondContact O-CB 3.42Å; G325-A329 PolarHBondContact O-N 2.59Å |
| 326 | K | 69.9 | Low | 56.7 | Low | 157 Ų | 157 | 108 Ų | 108 | 68% | 0.683 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -67 | -45.4 | 175.3 | -73.2 | 174.3 | -179.1 | 179.7 | 0 | 112.4 | D322 L324 L328 A329 S330 | D322-K326 WeakPolarHBondContact O-CB 3.31Å; D322-K326 VanDerWaalsContact O-CG 3.31Å; D322-K326 WeakPolarHBondContact O-CG 3.31Å; D322-K326 PolarHBondContact O-N 3.32Å; D322-K326 VanDerWaalsContact O-N 3.07Å; L324-K326 PolarHBondContact O-N 3.33Å; K326-L328 VanDerWaalsContact C-N 3.31Å; K326-L328 PolarHBondContact O-N 2.86Å; K326-A329 PolarHBondContact O-N 2.92Å; K326-S330 PolarHBondContact O-N 3.34Å; K326-S330 VanDerWaalsContact O-N 3.07Å; K326-S330 PolarHBondContact O-OG 3.35Å |
| 327 | A | 63.3 | Low | 56.9 | Low | 57 Ų | 57 | 111.1 Ų | 111.1 | 47% | 0.471 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -59.5 | -39.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A323 L324 I331 | A323-A327 WeakPolarHBondContact O-CB 3.39Å; A323-A327 PolarHBondContact O-N 3Å; L324-A327 PolarHBondContact O-N 3.35Å; A327-I331 VanDerWaalsContact O-CG1 3.23Å; A327-I331 WeakPolarHBondContact O-CG1 3.36Å |
| 328 | L | 67.1 | Low | 56.3 | Low | 109 Ų | 109 | 111.4 Ų | 111.4 | 57% | 0.571 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -74.1 | -34.4 | 177.9 | -67.8 | 170.6 | 0 | 0 | 0 | 112.7 | L324 K326 S330 I331 | L324-L328 WeakPolarHBondContact O-CB 3.1Å; L324-L328 VanDerWaalsContact O-CG 3.29Å; L324-L328 WeakPolarHBondContact O-CG 3.39Å; L324-L328 PolarHBondContact O-N 3.33Å; K326-L328 VanDerWaalsContact C-N 3.31Å; K326-L328 PolarHBondContact O-N 2.86Å; L328-S330 VanDerWaalsContact C-N 3.31Å; L328-S330 PolarHBondContact O-N 3.36Å; L328-I331 HydrophobicContact CD2-CD1 4.04Å; L328-I331 PolarHBondContact O-N 3.18Å |
| 329 | A | 58.2 | Low | 55.6 | Low | 55 Ų | 55 | 114.2 Ų | 114.2 | 46% | 0.455 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -65.3 | -33.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G325 K326 I331 Y332 S333 | G325-A329 WeakPolarHBondContact O-CB 3.42Å; G325-A329 PolarHBondContact O-N 2.59Å; K326-A329 PolarHBondContact O-N 2.92Å; A329-I331 PolarHBondContact O-N 3.25Å; A329-Y332 PolarHBondContact O-N 3.43Å; A329-S333 PolarHBondContact O-N 2.77Å; A329-S333 PolarHBondContact O-OG 3.07Å |
| 330 | S | 58 | Low | 55 | Low | 95 Ų | 95 | 110.2 Ų | 110.2 | 66% | 0.664 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -14.7 | 176.4 | -62.9 | 0 | 0 | 0 | 0 | 114.8 | K326 L328 | K326-S330 PolarHBondContact O-N 3.34Å; K326-S330 VanDerWaalsContact O-N 3.07Å; K326-S330 PolarHBondContact O-OG 3.35Å; L328-S330 VanDerWaalsContact C-N 3.31Å; L328-S330 PolarHBondContact O-N 3.36Å |
| 331 | I | 64.9 | Low | 53.9 | Low | 117 Ų | 117 | 115.6 Ų | 115.6 | 60% | 0.6 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -13.7 | 179.9 | -27.8 | 179 | 0 | 0 | 0 | 112.3 | A327 L328 A329 | A327-I331 VanDerWaalsContact O-CG1 3.23Å; A327-I331 WeakPolarHBondContact O-CG1 3.36Å; L328-I331 HydrophobicContact CD2-CD1 4.04Å; L328-I331 PolarHBondContact O-N 3.18Å; A329-I331 PolarHBondContact O-N 3.25Å |
| 332 | Y | 52.9 | Low | 53 | Low | 206 Ų | 206 | 119.4 Ų | 119.4 | 81% | 0.808 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -128.5 | 16.5 | -174.5 | -75.8 | -78.2 | 0 | 0 | 0 | 114 | A329 | A329-Y332 PolarHBondContact O-N 3.43Š|
| 333 | S | 42.8 | Very low | 51.6 | Low | 77 Ų | 77 | 119.2 Ų | 119.2 | 54% | 0.538 | 68% | 0.684 | S | S | . | * | | | trans | -91.2 | 123.5 | 171.7 | -60.2 | 0 | 0 | 0 | 0 | 110.2 | A329 | A329-S333 PolarHBondContact O-N 2.77Å; A329-S333 PolarHBondContact O-OG 3.07Å |
| 334 | P | 51.2 | Low | 50 | Low | 101 Ų | 101 | 123.1 Ų | 123.1 | 66% | 0.656 | 70% | 0.696 | S | S | * | * | | | trans | -71.8 | 168.2 | 171.3 | 31.3 | -34.6 | 0 | 0 | 0 | 111.9 | | |
| 335 | D | 47 | Very low | 48.6 | Very low | 153 Ų | 153 | 124 Ų | 124 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | | | trans | 64.8 | 59 | 165.9 | -52.3 | -34.6 | 0 | 0 | 0 | 117.8 | | |
| 336 | H | 45.5 | Very low | 47 | Very low | 180 Ų | 180 | 127.2 Ų | 127.2 | 83% | 0.833 | 72% | 0.724 | S | S | * | * | | | trans | -119.7 | 120.7 | 160.1 | -77.9 | 6.5 | 0 | 0 | 0 | 112 | | |
| 337 | T | 40 | Very low | 45.6 | Very low | 142 Ų | 142 | 125.2 Ų | 125.2 | 87% | 0.871 | 73% | 0.725 | S | S | * | * | | | trans | -84.9 | 126.8 | -173.6 | -71.7 | 0 | 0 | 0 | 0 | 113 | | |
| 338 | N | 36.2 | Very low | 44.4 | Very low | 132 Ų | 132 | 128.7 Ų | 128.7 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | | | trans | 4 | 111.1 | 153.3 | -173.1 | 14.3 | 0 | 0 | 0 | 118.2 | | |
| 339 | N | 32.5 | Very low | 42.9 | Very low | 154 Ų | 154 | 129.3 Ų | 129.3 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | | | | -155.4 | 117 | 126.9 | -124.8 | -34.7 | 0 | 0 | 0 | 111 | | |
| 340 | S | 40.6 | Very low | 41.8 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | | | trans | -144.2 | 109.2 | 179.5 | -77.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 341 | F | 34 | Very low | 40.7 | Very low | 208 Ų | 208 | 130.4 Ų | 130.4 | 91% | 0.912 | 77% | 0.767 | S | S | * | * | | | trans | -132.6 | 119.4 | 151 | -89.5 | -73.5 | 0 | 0 | 0 | 109.1 | | |
| 342 | S | 40.9 | Very low | 39.7 | Very low | 126 Ų | 126 | 130.2 Ų | 130.2 | 88% | 0.881 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 130.6 | -173.4 | -52.6 | 0 | 0 | 0 | 0 | 112 | | |
| 343 | S | 33.1 | Very low | 39.5 | Very low | 118 Ų | 118 | 126.2 Ų | 126.2 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 151.6 | 159.4 | -69 | 0 | 0 | 0 | 0 | 109.9 | | |
| 344 | N | 31.7 | Very low | 39 | Very low | 148 Ų | 148 | 128 Ų | 128 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 145.4 | -169.2 | -93 | -21.1 | 0 | 0 | 0 | 114.9 | S346 | N344-S346 PolarHBondContact O-N 3.25Š|
| 345 | P | 39.2 | Very low | 38.3 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -69.4 | 100.3 | 163.5 | 30.5 | -32.6 | 0 | 0 | 0 | 109.6 | | |
| 346 | S | 37.4 | Very low | 37.6 | Very low | 111 Ų | 111 | 129.5 Ų | 129.5 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | -68 | 142.7 | 171.1 | -66.9 | 0 | 0 | 0 | 0 | 111.1 | N344 | N344-S346 PolarHBondContact O-N 3.25Š|
| 347 | T | 40.8 | Very low | 36.9 | Very low | 114 Ų | 114 | 125.8 Ų | 125.8 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | | | trans | -65.2 | 140.9 | -179.4 | 46 | 0 | 0 | 0 | 0 | 112.1 | V349 | T347-V349 PolarHBondContact O-N 3.31Š|
| 348 | P | 38 | Very low | 36.4 | Very low | 131 Ų | 131 | 122.9 Ų | 122.9 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | trans | -76.2 | 83.9 | 178.4 | 31.2 | -35.1 | 0 | 0 | 0 | 111.5 | G350 | P348-G350 VanDerWaalsContact C-N 3.25Å; P348-G350 PolarHBondContact O-N 2.79Å |
| 349 | V | 35.9 | Very low | 36.3 | Very low | 121 Ų | 121 | 123.4 Ų | 123.4 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | | | trans | -81.4 | 73.5 | 170.8 | -173.4 | 0 | 0 | 0 | 0 | 109.5 | T347 S351 | T347-V349 PolarHBondContact O-N 3.31Å; V349-S351 PolarHBondContact O-N 2.82Å |
| 350 | G | 35 | Very low | 36.1 | Very low | 73 Ų | 73 | 120.7 Ų | 120.7 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | | | trans | -89.3 | 72.9 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | P348 | P348-G350 VanDerWaalsContact C-N 3.25Å; P348-G350 PolarHBondContact O-N 2.79Å |
| 351 | S | 35.8 | Very low | 35.8 | Very low | 101 Ų | 101 | 121.6 Ų | 121.6 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 135 | 168 | -62.1 | 0 | 0 | 0 | 0 | 110.7 | V349 | V349-S351 PolarHBondContact O-N 2.82Š|
| 352 | P | 43.6 | Very low | 35.7 | Very low | 113 Ų | 113 | 122.9 Ų | 122.9 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 155.1 | 176.5 | 29.8 | -35.1 | 0 | 0 | 0 | 111.6 | S354 | P352-S354 PolarHBondContact O-N 3.41Š|
| 353 | P | 47.7 | Very low | 35.1 | Very low | 121 Ų | 121 | 122.9 Ų | 122.9 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 131.4 | -176.2 | 27.6 | -34.9 | 0 | 0 | 0 | 112.4 | L355 | P353-L355 PolarHBondContact O-N 3.48Š|
| 354 | S | 33.3 | Very low | 34.9 | Very low | 115 Ų | 115 | 129.2 Ų | 129.2 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -72 | 109 | 176.5 | -62.7 | 0 | 0 | 0 | 0 | 112 | P352 | P352-S354 PolarHBondContact O-N 3.41Š|
| 355 | L | 35.3 | Very low | 34.8 | Very low | 172 Ų | 172 | 130.1 Ų | 130.1 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | | | trans | -78.3 | 118.9 | 161.8 | -63 | 176.8 | 0 | 0 | 0 | 109.1 | P353 | P353-L355 PolarHBondContact O-N 3.48Š|
| 356 | S | 32.4 | Very low | 34.4 | Very low | 114 Ų | 114 | 127.9 Ų | 127.9 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | | | trans | -83.6 | 136.6 | -178 | -71.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 357 | A | 31.9 | Very low | 34.2 | Very low | 102 Ų | 102 | 126.2 Ų | 126.2 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | | | trans | 56.4 | 92.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 358 | G | 29 | Very low | 33.8 | Very low | 80 Ų | 80 | 130.8 Ų | 130.8 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | | | trans | -130.4 | 58.8 | 166 | 0 | 0 | 0 | 0 | 0 | 112.7 | A360 | G358-A360 PolarHBondContact O-N 2.87Š|
| 359 | T | 34.2 | Very low | 33.8 | Very low | 144 Ų | 144 | 129.3 Ų | 129.3 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | | | trans | -78.6 | 98.4 | 179.9 | 48.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 360 | A | 28.7 | Very low | 33.9 | Very low | 97 Ų | 97 | 128.8 Ų | 128.8 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | | | trans | -132.6 | 95.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | G358 W362 | G358-A360 PolarHBondContact O-N 2.87Å; A360-W362 PolarHBondContact O-N 3.35Å |
| 361 | V | 33 | Very low | 33.9 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 72% | 0.715 | 83% | 0.826 | S | S | * | * | | | trans | -89.2 | 107.3 | 175.1 | 175.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 362 | W | 32.7 | Very low | 33.8 | Very low | 236 Ų | 236 | 131.2 Ų | 131.2 | 89% | 0.894 | 83% | 0.831 | S | S | * | * | | | trans | 69.4 | 148.2 | 165.7 | -51.3 | -22.9 | 0 | 0 | 0 | 118.5 | A360 | A360-W362 PolarHBondContact O-N 3.35Š|
| 363 | S | 27.4 | Very low | 34 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 87% | 0.874 | 83% | 0.834 | S | S | * | * | | | trans | -154.7 | 118 | 156 | -82.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 364 | R | 30.4 | Very low | 33.2 | Very low | 252 Ų | 252 | 134 Ų | 134 | 95% | 0.951 | 84% | 0.839 | S | S | * | * | | | trans | -117.1 | 103.6 | 161.7 | -89.7 | -174.6 | 172 | -112.6 | 2.6 | 108.3 | | |
| 365 | N | 28.4 | Very low | 33.2 | Very low | 167 Ų | 167 | 138.2 Ų | 138.2 | 89% | 0.893 | 84% | 0.839 | S | S | * | * | | | trans | 39 | 103.7 | 149.1 | -168.3 | 85.5 | 0 | 0 | 0 | 119.3 | | |
| 366 | G | 32 | Very low | 33.4 | Very low | 79 Ų | 79 | 138.3 Ų | 138.3 | 81% | 0.814 | 84% | 0.835 | S | S | * | * | | | trans | 161.4 | 122.8 | 152.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 367 | G | 32.2 | Very low | 33.8 | Very low | 76 Ų | 76 | 135.1 Ų | 135.1 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | | | trans | 95.6 | 78.2 | 138.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 368 | Q | 32.1 | Very low | 34.8 | Very low | 210 Ų | 210 | 134.6 Ų | 134.6 | 98% | 0.981 | 81% | 0.808 | S | S | * | * | | | trans | 55.3 | 174.1 | 149.8 | -67.1 | -169.4 | -16.4 | 0 | 0 | 119.3 | | |
| 369 | A | 39.1 | Very low | 36 | Very low | 100 Ų | 100 | 137.2 Ų | 137.2 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | | | trans | -138.3 | 149.9 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 370 | S | 36.9 | Very low | 36.9 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | | | trans | -165.7 | 135.8 | 156.5 | 46.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 371 | S | 35.7 | Very low | 38.2 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | | | trans | 39.4 | 115.6 | 154.3 | 57.8 | 0 | 0 | 0 | 0 | 121.3 | | |
| 372 | S | 34.8 | Very low | 39.6 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | trans | -61.5 | 161.8 | 152.4 | -38.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 373 | P | 46.8 | Very low | 41 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | | | | -147.6 | 153.8 | 90.1 | 39 | -23.4 | 0 | 0 | 0 | 117 | | |
| 374 | N | 31.7 | Very low | 42.9 | Very low | 168 Ų | 168 | 125.3 Ų | 125.3 | 90% | 0.898 | 73% | 0.725 | S | S | * | * | | | trans | 61.9 | 141.5 | 156.2 | -131.6 | 17.4 | 0 | 0 | 0 | 120.3 | | |
| 375 | Y | 33.3 | Very low | 44.9 | Very low | 205 Ų | 205 | 120 Ų | 120 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | | | trans | -147.2 | 122.6 | -178 | -161.1 | -80.6 | 0 | 0 | 0 | 109.4 | | |
| 376 | E | 37.7 | Very low | 47.2 | Very low | 174 Ų | 174 | 116.4 Ų | 116.4 | 81% | 0.813 | 69% | 0.685 | S | S | * | * | | | trans | -109 | 151.1 | 176.7 | -160 | -178.3 | 176.7 | 0 | 0 | 112.1 | | |
| 377 | G | 41.5 | Very low | 49.5 | Very low | 47 Ų | 47 | 117.3 Ų | 117.3 | 49% | 0.485 | 67% | 0.668 | S | S | . | * | | | trans | -50.3 | 134.7 | -165.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | L379 | G377-L379 PolarHBondContact O-N 3.34Š|
| 378 | P | 53.5 | Low | 51.7 | Low | 90 Ų | 90 | 116.7 Ų | 116.7 | 58% | 0.584 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -1.2 | 174.3 | -27.2 | 36 | 0 | 0 | 0 | 117.7 | | |
| 379 | L | 52.8 | Low | 54 | Low | 135 Ų | 135 | 115.3 Ų | 115.3 | 71% | 0.707 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -70.9 | -39.3 | -174.3 | -70 | 176.4 | 0 | 0 | 0 | 113.5 | G377 S381 L382 Q383 | G377-L379 PolarHBondContact O-N 3.34Å; L379-S381 PolarHBondContact O-N 3.02Å; L379-L382 PolarHBondContact O-N 3.47Å; L379-Q383 PolarHBondContact O-N 2.79Å |
| 380 | H | 53.8 | Low | 56.1 | Low | 150 Ų | 150 | 115 Ų | 115 | 69% | 0.694 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -59.2 | -33.5 | -179.6 | -96 | 90.5 | 0 | 0 | 0 | 112.6 | S384 | H380-S384 WeakPolarHBondContact O-CB 3.39Å; H380-S384 PolarHBondContact O-N 3.4Å |
| 381 | S | 57.1 | Low | 58.3 | Low | 64 Ų | 64 | 116.1 Ų | 116.1 | 45% | 0.448 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -72 | -27.1 | 177.2 | -173.9 | 0 | 0 | 0 | 0 | 113.4 | L379 R385 | L379-S381 PolarHBondContact O-N 3.02Å; S381-R385 WeakPolarHBondContact O-CB 3.43Å; S381-R385 WeakPolarHBondContact O-CG 3.42Å; S381-R385 PolarHBondContact O-N 3.14Å; S381-R385 PolarHBondContact OG-NH1 3.27Å |
| 382 | L | 60.8 | Low | 60.6 | Low | 91 Ų | 91 | 118 Ų | 118 | 48% | 0.476 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -77.4 | -45 | 173.3 | -85.5 | 166 | 0 | 0 | 0 | 111.3 | L379 R385 I386 | L379-L382 PolarHBondContact O-N 3.47Å; L382-R385 PolarHBondContact O-N 3.29Å; L382-I386 WeakPolarHBondContact O-CG1 3.44Å; L382-I386 PolarHBondContact O-N 2.9Å; L382-I386 VanDerWaalsContact O-N 3.07Å |
| 383 | Q | 62.5 | Low | 63.2 | Low | 100 Ų | 100 | 116.5 Ų | 116.5 | 47% | 0.467 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -58 | -52.1 | 176 | -172.9 | 61.4 | 29.2 | 0 | 0 | 110.9 | L379 R385 I386 E387 | L379-Q383 PolarHBondContact O-N 2.79Å; Q383-R385 VanDerWaalsContact C-N 3.33Å; Q383-R385 PolarHBondContact O-N 3.39Å; Q383-I386 WeakPolarHBondContact O-CA 3.25Å; Q383-I386 WeakPolarHBondContact O-CB 3.35Å; Q383-I386 PolarHBondContact O-N 2.96Å; Q383-E387 WeakPolarHBondContact CG-OE1 3.27Å; Q383-E387 PolarHBondContact NE2-OE1 3.22Å; Q383-E387 WeakPolarHBondContact O-CG 3.27Å; Q383-E387 PolarHBondContact O-N 3.44Å |
| 384 | S | 67.1 | Low | 65.1 | Low | 66 Ų | 66 | 114.8 Ų | 114.8 | 46% | 0.462 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -58.8 | -38.3 | 176.7 | 170.8 | 0 | 0 | 0 | 0 | 113.2 | H380 I386 E387 D388 | H380-S384 WeakPolarHBondContact O-CB 3.39Å; H380-S384 PolarHBondContact O-N 3.4Å; S384-I386 VanDerWaalsContact C-N 3.3Å; S384-I386 PolarHBondContact O-N 3.13Å; S384-E387 PolarHBondContact O-N 3.44Å; S384-D388 WeakPolarHBondContact O-CB 3.42Å; S384-D388 PolarHBondContact O-N 2.9Å |
| 385 | R | 72.1 | Confident | 67.7 | Low | 140 Ų | 140 | 111.9 Ų | 111.9 | 53% | 0.528 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -72.6 | -18.3 | 175 | -79.9 | -161.8 | -56.2 | -94 | -3 | 114.3 | S381 L382 Q383 R389 | S381-R385 WeakPolarHBondContact O-CB 3.43Å; S381-R385 WeakPolarHBondContact O-CG 3.42Å; S381-R385 PolarHBondContact O-N 3.14Å; S381-R385 PolarHBondContact OG-NH1 3.27Å; L382-R385 PolarHBondContact O-N 3.29Å; Q383-R385 VanDerWaalsContact C-N 3.33Å; Q383-R385 PolarHBondContact O-N 3.39Å; R385-R389 WeakPolarHBondContact O-CB 3.45Å |
| 386 | I | 78.2 | Confident | 70 | Confident | 92 Ų | 92 | 104.3 Ų | 104.3 | 47% | 0.472 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -81.4 | -45.5 | 171.9 | -69.5 | 162.6 | 0 | 0 | 0 | 108.8 | L382 Q383 S384 R389 L390 | L382-I386 WeakPolarHBondContact O-CG1 3.44Å; L382-I386 PolarHBondContact O-N 2.9Å; L382-I386 VanDerWaalsContact O-N 3.07Å; Q383-I386 WeakPolarHBondContact O-CA 3.25Å; Q383-I386 WeakPolarHBondContact O-CB 3.35Å; Q383-I386 PolarHBondContact O-N 2.96Å; S384-I386 VanDerWaalsContact C-N 3.3Å; S384-I386 PolarHBondContact O-N 3.13Å; I386-R389 CarbonylContact O-C 3.56Å; I386-R389 WeakPolarHBondContact O-CA 3.34Å; I386-R389 WeakPolarHBondContact O-CB 3.42Å; I386-R389 PolarHBondContact O-N 2.84Å; I386-R389 VanDerWaalsContact O-N 3.1Å; I386-L390 HydrophobicContact CG2-CD1 4.03Å; I386-L390 HydrophobicContact CG2-CG 4.5Å; I386-L390 WeakPolarHBondContact O-CG 3.3Å; I386-L390 PolarHBondContact O-N 3.24Å |
| 387 | E | 79.6 | Confident | 72.3 | Confident | 97 Ų | 97 | 98.8 Ų | 98.8 | 45% | 0.453 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.9 | -49.7 | 176.6 | -70.5 | 158.9 | 172.9 | 0 | 0 | 111.8 | Q383 S384 R389 L390 E391 | Q383-E387 WeakPolarHBondContact CG-OE1 3.27Å; Q383-E387 PolarHBondContact NE2-OE1 3.22Å; Q383-E387 WeakPolarHBondContact O-CG 3.27Å; Q383-E387 PolarHBondContact O-N 3.44Å; S384-E387 PolarHBondContact O-N 3.44Å; E387-R389 PolarHBondContact O-N 3.23Å; E387-R389 VanDerWaalsContact O-N 3.1Å; E387-L390 CarbonylContact O-C 3.55Å; E387-L390 WeakPolarHBondContact O-CA 3.23Å; E387-L390 PolarHBondContact O-N 2.78Å; E387-E391 PolarHBondContact O-N 3.29Å |
| 388 | D | 79.1 | Confident | 74.3 | Confident | 63 Ų | 63 | 101 Ų | 101 | 34% | 0.337 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -17.6 | 173.8 | 177 | 66.4 | 0 | 0 | 0 | 113.4 | S384 R392 | S384-D388 WeakPolarHBondContact O-CB 3.42Å; S384-D388 PolarHBondContact O-N 2.9Å; D388-R392 VanDerWaalsContact CG-NH2 3.31Å; D388-R392 PolarHBondContact O-NH1 3.36Å; D388-R392 IonicContact OD1-CZ 3.83Å; D388-R392 IonicContact OD1-NH1 2.59Å; D388-R392 PolarHBondContact OD1-NH1 2.67Å; D388-R392 VanDerWaalsContact OD1-NH1 3.13Å; D388-R392 IonicContact OD1-NH2 3.78Å; D388-R392 PolarHBondContact OD1-NH2 3.27Å; D388-R392 IonicContact OD2-CZ 3.47Å; D388-R392 IonicContact OD2-NH1 2.79Å; D388-R392 PolarHBondContact OD2-NH1 2.68Å; D388-R392 IonicContact OD2-NH2 3.35Å; D388-R392 PolarHBondContact OD2-NH2 3.14Å |
| 389 | R | 78.9 | Confident | 76 | Confident | 181 Ų | 181 | 100.6 Ų | 100.6 | 68% | 0.683 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -93.4 | -26.2 | 172.2 | -164.1 | -177.1 | -172.1 | -73.4 | 1.3 | 112.8 | R385 I386 E387 L393 | R385-R389 WeakPolarHBondContact O-CB 3.45Å; I386-R389 CarbonylContact O-C 3.56Å; I386-R389 WeakPolarHBondContact O-CA 3.34Å; I386-R389 WeakPolarHBondContact O-CB 3.42Å; I386-R389 PolarHBondContact O-N 2.84Å; I386-R389 VanDerWaalsContact O-N 3.1Å; E387-R389 PolarHBondContact O-N 3.23Å; E387-R389 VanDerWaalsContact O-N 3.1Å; R389-L393 WeakPolarHBondContact O-CB 3.48Å; R389-L393 PolarHBondContact O-N 2.94Å |
| 390 | L | 84.9 | Confident | 77.5 | Confident | 94 Ų | 94 | 100 Ų | 100 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -77.3 | -43.1 | 173 | -70.9 | 168.9 | 0 | 0 | 0 | 111 | I386 E387 R392 L393 D394 | I386-L390 HydrophobicContact CG2-CD1 4.03Å; I386-L390 HydrophobicContact CG2-CG 4.5Å; I386-L390 WeakPolarHBondContact O-CG 3.3Å; I386-L390 PolarHBondContact O-N 3.24Å; E387-L390 CarbonylContact O-C 3.55Å; E387-L390 WeakPolarHBondContact O-CA 3.23Å; E387-L390 PolarHBondContact O-N 2.78Å; L390-R392 PolarHBondContact O-N 2.98Å; L390-L393 CarbonylContact O-C 3.58Å; L390-L393 WeakPolarHBondContact O-CA 3.49Å; L390-L393 VanDerWaalsContact O-CB 3.3Å; L390-L393 WeakPolarHBondContact O-CB 3.31Å; L390-L393 PolarHBondContact O-N 3.11Å; L390-D394 PolarHBondContact O-N 2.84Å |
| 391 | E | 82.9 | Confident | 78.6 | Confident | 134 Ų | 134 | 99.9 Ų | 99.9 | 63% | 0.626 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -57.8 | -47.4 | 176.2 | -173.7 | 173.4 | -158.2 | 0 | 0 | 111.2 | E387 L393 D394 D395 | E387-E391 PolarHBondContact O-N 3.29Å; E391-L393 VanDerWaalsContact C-N 3.26Å; E391-L393 PolarHBondContact O-N 3.02Å; E391-D394 PolarHBondContact O-N 2.89Å; E391-D395 PolarHBondContact O-N 3.03Å |
| 392 | R | 84.2 | Confident | 79.4 | Confident | 148 Ų | 148 | 102.6 Ų | 102.6 | 56% | 0.558 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68 | -21.4 | 173.2 | -67 | -166.4 | -161 | 88.6 | 4.4 | 114.4 | D388 L390 A396 | D388-R392 VanDerWaalsContact CG-NH2 3.31Å; D388-R392 PolarHBondContact O-NH1 3.36Å; D388-R392 IonicContact OD1-CZ 3.83Å; D388-R392 IonicContact OD1-NH1 2.59Å; D388-R392 PolarHBondContact OD1-NH1 2.67Å; D388-R392 VanDerWaalsContact OD1-NH1 3.13Å; D388-R392 IonicContact OD1-NH2 3.78Å; D388-R392 PolarHBondContact OD1-NH2 3.27Å; D388-R392 IonicContact OD2-CZ 3.47Å; D388-R392 IonicContact OD2-NH1 2.79Å; D388-R392 PolarHBondContact OD2-NH1 2.68Å; D388-R392 IonicContact OD2-NH2 3.35Å; D388-R392 PolarHBondContact OD2-NH2 3.14Å; L390-R392 PolarHBondContact O-N 2.98Å; R392-A396 VanDerWaalsContact O-CB 3.3Å; R392-A396 WeakPolarHBondContact O-CB 3.5Å; R392-A396 PolarHBondContact O-N 2.83Å; R392-A396 VanDerWaalsContact O-N 3.14Å |
| 393 | L | 88.8 | Confident | 79.6 | Confident | 84 Ų | 84 | 105.5 Ų | 105.5 | 44% | 0.44 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -75.9 | -43.7 | 173.3 | -170.2 | 73.6 | 0 | 0 | 0 | 110.1 | R389 L390 E391 A396 I397 | R389-L393 WeakPolarHBondContact O-CB 3.48Å; R389-L393 PolarHBondContact O-N 2.94Å; L390-L393 CarbonylContact O-C 3.58Å; L390-L393 WeakPolarHBondContact O-CA 3.49Å; L390-L393 VanDerWaalsContact O-CB 3.3Å; L390-L393 WeakPolarHBondContact O-CB 3.31Å; L390-L393 PolarHBondContact O-N 3.11Å; E391-L393 VanDerWaalsContact C-N 3.26Å; E391-L393 PolarHBondContact O-N 3.02Å; L393-A396 PolarHBondContact O-N 2.77Å; L393-I397 HydrophobicContact CD2-CD1 4.5Å; L393-I397 HydrophobicContact CG-CD1 4.02Å; L393-I397 WeakPolarHBondContact O-CB 3.46Å; L393-I397 VanDerWaalsContact O-CG1 3.23Å; L393-I397 WeakPolarHBondContact O-CG1 3.41Å; L393-I397 PolarHBondContact O-N 3.16Å |
| 394 | D | 85.9 | Confident | 79.6 | Confident | 88 Ų | 88 | 105 Ų | 105 | 47% | 0.471 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66 | -39.5 | 175.1 | -86.2 | -32.4 | 0 | 0 | 0 | 111.8 | L390 E391 I397 H398 | L390-D394 PolarHBondContact O-N 2.84Å; E391-D394 PolarHBondContact O-N 2.89Å; D394-I397 CarbonylContact O-C 3.6Å; D394-I397 PolarHBondContact O-N 3.27Å; D394-H398 PolarHBondContact O-N 2.97Å; D394-H398 PolarHBondContact O-ND1 3.47Å |
| 395 | D | 87.8 | Confident | 79.2 | Confident | 106 Ų | 106 | 106.9 Ų | 106.9 | 57% | 0.567 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -58.9 | -46.7 | 170.4 | -102.5 | -0.6 | 0 | 0 | 0 | 111.5 | E391 I397 H398 V399 | E391-D395 PolarHBondContact O-N 3.03Å; D395-I397 VanDerWaalsContact C-N 3.29Å; D395-I397 PolarHBondContact O-N 3.42Å; D395-H398 PolarHBondContact O-N 3.4Å; D395-V399 WeakPolarHBondContact O-CG2 3.29Å; D395-V399 PolarHBondContact O-N 3.01Å |
| 396 | A | 81.1 | Confident | 78.2 | Confident | 47 Ų | 47 | 102 Ų | 102 | 39% | 0.388 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.3 | -36.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | R392 L393 L400 | R392-A396 VanDerWaalsContact O-CB 3.3Å; R392-A396 WeakPolarHBondContact O-CB 3.5Å; R392-A396 PolarHBondContact O-N 2.83Å; R392-A396 VanDerWaalsContact O-N 3.14Å; L393-A396 PolarHBondContact O-N 2.77Å; A396-L400 WeakPolarHBondContact O-CB 3.46Å; A396-L400 WeakPolarHBondContact O-CD1 3.33Å; A396-L400 PolarHBondContact O-N 2.97Å |
| 397 | I | 85.5 | Confident | 76.7 | Confident | 57 Ų | 57 | 104.1 Ų | 104.1 | 29% | 0.292 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.3 | -38.1 | 175.3 | -71.7 | 164.5 | 0 | 0 | 0 | 111.4 | L393 D394 D395 L400 R401 | L393-I397 HydrophobicContact CD2-CD1 4.5Å; L393-I397 HydrophobicContact CG-CD1 4.02Å; L393-I397 WeakPolarHBondContact O-CB 3.46Å; L393-I397 VanDerWaalsContact O-CG1 3.23Å; L393-I397 WeakPolarHBondContact O-CG1 3.41Å; L393-I397 PolarHBondContact O-N 3.16Å; D394-I397 CarbonylContact O-C 3.6Å; D394-I397 PolarHBondContact O-N 3.27Å; D395-I397 VanDerWaalsContact C-N 3.29Å; D395-I397 PolarHBondContact O-N 3.42Å; I397-L400 PolarHBondContact O-N 3.02Å; I397-R401 HydrophobicContact CG2-CG 4.49Å; I397-R401 WeakPolarHBondContact O-CB 3.43Å; I397-R401 VanDerWaalsContact O-CG 3.31Å; I397-R401 WeakPolarHBondContact O-CG 3.24Å; I397-R401 PolarHBondContact O-N 3.33Å |
| 398 | H | 84.6 | Confident | 74.7 | Confident | 93 Ų | 93 | 104.4 Ų | 104.4 | 43% | 0.431 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.4 | -44.5 | 173.8 | -77.4 | 96.6 | 0 | 0 | 0 | 111.4 | D394 D395 R401 N402 | D394-H398 PolarHBondContact O-N 2.97Å; D394-H398 PolarHBondContact O-ND1 3.47Å; D395-H398 PolarHBondContact O-N 3.4Å; H398-R401 PolarHBondContact O-N 3.44Å; H398-N402 WeakPolarHBondContact O-CB 3.42Å; H398-N402 PolarHBondContact O-N 2.82Å; H398-N402 PolarHBondContact O-ND2 3.28Å |
| 399 | V | 87.5 | Confident | 73.1 | Confident | 82 Ų | 82 | 108.8 Ų | 108.8 | 50% | 0.497 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.3 | -44.8 | 173.1 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | D395 R401 N402 H403 | D395-V399 WeakPolarHBondContact O-CG2 3.29Å; D395-V399 PolarHBondContact O-N 3.01Å; V399-R401 PolarHBondContact O-N 3.45Å; V399-N402 PolarHBondContact O-N 3.43Å; V399-H403 WeakPolarHBondContact O-CB 3.3Å; V399-H403 PolarHBondContact O-CD2 3.16Å; V399-H403 PolarHBondContact O-N 2.94Å |
| 400 | L | 85.1 | Confident | 71.1 | Confident | 122 Ų | 122 | 104.5 Ų | 104.5 | 64% | 0.639 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.4 | -41.6 | 175.6 | -104.8 | 74.8 | 0 | 0 | 0 | 112.4 | A396 I397 H403 A404 | A396-L400 WeakPolarHBondContact O-CB 3.46Å; A396-L400 WeakPolarHBondContact O-CD1 3.33Å; A396-L400 PolarHBondContact O-N 2.97Å; I397-L400 PolarHBondContact O-N 3.02Å; L400-H403 PolarHBondContact O-N 3.16Å; L400-A404 WeakPolarHBondContact O-CB 3.4Å; L400-A404 PolarHBondContact O-N 3.45Å |
| 401 | R | 76.3 | Confident | 69 | Low | 148 Ų | 148 | 108.5 Ų | 108.5 | 56% | 0.558 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.5 | -45.4 | 175.7 | -76.4 | 175.8 | -173.8 | 165.6 | 5.6 | 111.2 | I397 H398 V399 H403 A404 V405 | I397-R401 HydrophobicContact CG2-CG 4.49Å; I397-R401 WeakPolarHBondContact O-CB 3.43Å; I397-R401 VanDerWaalsContact O-CG 3.31Å; I397-R401 WeakPolarHBondContact O-CG 3.24Å; I397-R401 PolarHBondContact O-N 3.33Å; H398-R401 PolarHBondContact O-N 3.44Å; V399-R401 PolarHBondContact O-N 3.45Å; R401-H403 VanDerWaalsContact C-N 3.26Å; R401-H403 PolarHBondContact O-N 3.35Å; R401-A404 PolarHBondContact O-N 3.39Å; R401-V405 VanDerWaalsContact O-CB 3.31Å; R401-V405 WeakPolarHBondContact O-CB 3.42Å; R401-V405 WeakPolarHBondContact O-CG2 3.34Å; R401-V405 PolarHBondContact O-N 3.32Å |
| 402 | N | 74.5 | Confident | 67 | Low | 121 Ų | 121 | 108.5 Ų | 108.5 | 65% | 0.647 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.7 | -23.1 | 179.6 | -67.4 | -17.3 | 0 | 0 | 0 | 113.4 | H398 V399 | H398-N402 WeakPolarHBondContact O-CB 3.42Å; H398-N402 PolarHBondContact O-N 2.82Å; H398-N402 PolarHBondContact O-ND2 3.28Å; V399-N402 PolarHBondContact O-N 3.43Å |
| 403 | H | 65.6 | Low | 64.7 | Low | 153 Ų | 153 | 104.9 Ų | 104.9 | 71% | 0.708 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -94.8 | -30.3 | 174.4 | -83.7 | -105.2 | 0 | 0 | 0 | 114.2 | V399 L400 R401 | V399-H403 WeakPolarHBondContact O-CB 3.3Å; V399-H403 PolarHBondContact O-CD2 3.16Å; V399-H403 PolarHBondContact O-N 2.94Å; L400-H403 PolarHBondContact O-N 3.16Å; R401-H403 VanDerWaalsContact C-N 3.26Å; R401-H403 PolarHBondContact O-N 3.35Å |
| 404 | A | 61.2 | Low | 62.1 | Low | 89 Ų | 89 | 104.4 Ų | 104.4 | 74% | 0.736 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -81.9 | -35.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | L400 R401 G406 | L400-A404 WeakPolarHBondContact O-CB 3.4Å; L400-A404 PolarHBondContact O-N 3.45Å; R401-A404 PolarHBondContact O-N 3.39Å; A404-G406 PolarHBondContact O-N 2.94Å |
| 405 | V | 58.8 | Low | 59.8 | Low | 106 Ų | 106 | 108.4 Ų | 108.4 | 64% | 0.642 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -80.4 | 67.5 | 161.4 | -170.3 | 0 | 0 | 0 | 0 | 107.8 | R401 | R401-V405 VanDerWaalsContact O-CB 3.31Å; R401-V405 WeakPolarHBondContact O-CB 3.42Å; R401-V405 WeakPolarHBondContact O-CG2 3.34Å; R401-V405 PolarHBondContact O-N 3.32Å |
| 406 | G | 52 | Low | 57.3 | Low | 38 Ų | 38 | 106.8 Ų | 106.8 | 39% | 0.392 | 67% | 0.668 | S | S | . | * | P | Polyproline II helix | trans | -54.7 | 151 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | A404 S408 | A404-G406 PolarHBondContact O-N 2.94Å; G406-S408 PolarHBondContact O-N 3.47Å |
| 407 | P | 47 | Very low | 55.4 | Low | 135 Ų | 135 | 110 Ų | 110 | 88% | 0.877 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -56 | 117 | -171.4 | 22.5 | -33.8 | 0 | 0 | 0 | 110.8 | | |
| 408 | S | 37.7 | Very low | 53.2 | Low | 103 Ų | 103 | 114.2 Ų | 114.2 | 72% | 0.72 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 146.4 | 176.8 | -66.2 | 0 | 0 | 0 | 0 | 110.9 | G406 A410 | G406-S408 PolarHBondContact O-N 3.47Å; S408-A410 VanDerWaalsContact C-N 3.31Å; S408-A410 PolarHBondContact O-N 2.75Å |
| 409 | T | 44.4 | Very low | 51 | Low | 156 Ų | 156 | 118.5 Ų | 118.5 | 96% | 0.957 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -61.8 | 85.8 | -176.5 | 51 | 0 | 0 | 0 | 0 | 112.3 | | |
| 410 | A | 38.4 | Very low | 48.3 | Very low | 90 Ų | 90 | 117.7 Ų | 117.7 | 74% | 0.744 | 73% | 0.727 | S | S | * | * | | | trans | -122.3 | 140.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | S408 | S408-A410 VanDerWaalsContact C-N 3.31Å; S408-A410 PolarHBondContact O-N 2.75Å |
| 411 | M | 39.1 | Very low | 46.1 | Very low | 178 Ų | 178 | 119.8 Ų | 119.8 | 88% | 0.877 | 74% | 0.737 | S | S | * | * | | | trans | -72.7 | 147.9 | -167.7 | -63.7 | -76.7 | -80.8 | 0 | 0 | 112.4 | G413 | M411-G413 VanDerWaalsContact C-N 3.29Å; M411-G413 PolarHBondContact O-N 3.29Å |
| 412 | P | 42.6 | Very low | 44.2 | Very low | 134 Ų | 134 | 120.5 Ų | 120.5 | 87% | 0.87 | 75% | 0.75 | S | S | * | * | | | trans | -71.4 | 84.5 | 165.7 | 30.9 | -33.6 | 0 | 0 | 0 | 110.3 | | |
| 413 | G | 35.4 | Very low | 42.2 | Very low | 72 Ų | 72 | 117.8 Ų | 117.8 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | | | trans | -92.8 | 127.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | M411 | M411-G413 VanDerWaalsContact C-N 3.29Å; M411-G413 PolarHBondContact O-N 3.29Å |
| 414 | G | 34.6 | Very low | 41.5 | Very low | 75 Ų | 75 | 116.4 Ų | 116.4 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | trans | -97.6 | 148.8 | -167.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 415 | H | 36.5 | Very low | 40.3 | Very low | 171 Ų | 171 | 117 Ų | 117 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | | | trans | 69 | 119.5 | 140.9 | -160.4 | 23 | 0 | 0 | 0 | 119.3 | D417 | H415-D417 IonicContact CE1-OD1 3.89Å; H415-D417 PolarHBondContact CE1-OD1 3.35Å; H415-D417 IonicContact CE1-OD2 2.91Å; H415-D417 PolarHBondContact CE1-OD2 3.49Å; H415-D417 IonicContact ND1-OD1 3.74Å; H415-D417 IonicContact ND1-OD2 3.74Å; H415-D417 PolarHBondContact ND1-OD2 2.89Å; H415-D417 IonicContact NE2-OD2 3.82Å |
| 416 | G | 35.7 | Very low | 39.3 | Very low | 72 Ų | 72 | 119.9 Ų | 119.9 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | | | trans | -166.7 | 115.2 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 417 | D | 41.6 | Very low | 38.7 | Very low | 114 Ų | 114 | 124.8 Ų | 124.8 | 61% | 0.61 | 78% | 0.778 | S | S | * | * | | | trans | -81 | -177 | -178.1 | -45.7 | -88.9 | 0 | 0 | 0 | 111.5 | H415 | H415-D417 IonicContact CE1-OD1 3.89Å; H415-D417 PolarHBondContact CE1-OD1 3.35Å; H415-D417 IonicContact CE1-OD2 2.91Å; H415-D417 PolarHBondContact CE1-OD2 3.49Å; H415-D417 IonicContact ND1-OD1 3.74Å; H415-D417 IonicContact ND1-OD2 3.74Å; H415-D417 PolarHBondContact ND1-OD2 2.89Å; H415-D417 IonicContact NE2-OD2 3.82Å |
| 418 | M | 39.5 | Very low | 38.1 | Very low | 147 Ų | 147 | 121.9 Ų | 121.9 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | | | cis | -159.3 | -175.4 | 12 | -155 | 169.9 | -87.7 | 0 | 0 | 110.5 | | |
| 419 | H | 36.8 | Very low | 38.1 | Very low | 183 Ų | 183 | 121.8 Ų | 121.8 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | | | trans | 82.6 | 120.8 | 171.2 | -52.1 | -83.8 | 0 | 0 | 0 | 116.6 | | |
| 420 | G | 31.5 | Very low | 37.9 | Very low | 64 Ų | 64 | 123.4 Ų | 123.4 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | | | cis | 163.6 | 157.4 | -13.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 421 | I | 39.2 | Very low | 37.8 | Very low | 167 Ų | 167 | 122.9 Ų | 122.9 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | | | trans | 54.3 | 120.8 | 161.8 | -12 | -177.4 | 0 | 0 | 0 | 115.5 | | |
| 422 | I | 36.6 | Very low | 37.6 | Very low | 163 Ų | 163 | 117.7 Ų | 117.7 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | | | | -157.1 | 159.2 | 55.8 | -69.9 | 160.3 | 0 | 0 | 0 | 109.5 | | |
| 423 | G | 32.4 | Very low | 37.5 | Very low | 64 Ų | 64 | 120.3 Ų | 120.3 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | | | trans | -82.5 | -154.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 424 | P | 51 | Low | 37.5 | Very low | 123 Ų | 123 | 120.6 Ų | 120.6 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | | | cis | -133.5 | 168.4 | 19.1 | 41.8 | -25 | 0 | 0 | 0 | 118.2 | | |
| 425 | S | 35.9 | Very low | 37.7 | Very low | 103 Ų | 103 | 122.9 Ų | 122.9 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | | | trans | 3.8 | 141.8 | 152.9 | -46.1 | 0 | 0 | 0 | 0 | 120.8 | | |
| 426 | H | 38 | Very low | 37.6 | Very low | 166 Ų | 166 | 118.2 Ų | 118.2 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | | -163.6 | 164.9 | 73.4 | -118.8 | -95 | 0 | 0 | 0 | 116.3 | | |
| 427 | N | 39.2 | Very low | 37.6 | Very low | 141 Ų | 141 | 126.2 Ų | 126.2 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | | | trans | -26.9 | 160.3 | 171.2 | -45.9 | -10.3 | 0 | 0 | 0 | 118.7 | | |
| 428 | G | 34.2 | Very low | 37.2 | Very low | 73 Ų | 73 | 124.4 Ų | 124.4 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | | | cis | 103.4 | 144.1 | 5.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 429 | A | 37.9 | Very low | 36.9 | Very low | 101 Ų | 101 | 124.6 Ų | 124.6 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | | | cis | -171.8 | 167.6 | -7.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 430 | M | 39.2 | Very low | 36.8 | Very low | 191 Ų | 191 | 119.7 Ų | 119.7 | 94% | 0.941 | 81% | 0.809 | S | S | * | * | | | trans | 82.4 | 133.8 | 144.7 | -162.9 | 179.1 | 74.6 | 0 | 0 | 123.4 | | |
| 431 | G | 36.4 | Very low | 37 | Very low | 79 Ų | 79 | 124.7 Ų | 124.7 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | | | trans | 89.9 | 154.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 432 | G | 35.4 | Very low | 37.1 | Very low | 68 Ų | 68 | 125.5 Ų | 125.5 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | | | cis | 161.2 | 163.3 | -8.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 433 | L | 40.6 | Very low | 36.9 | Very low | 189 Ų | 189 | 123.4 Ų | 123.4 | 99% | 0.99 | 83% | 0.825 | S | S | * | * | | | trans | 72.1 | 156.1 | 173.6 | -44.1 | 178 | 0 | 0 | 0 | 116.3 | | |
| 434 | G | 34.9 | Very low | 36.9 | Very low | 78 Ų | 78 | 125 Ų | 125 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | | | cis | -167.3 | 179.9 | 1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 435 | S | 39.2 | Very low | 36 | Very low | 124 Ų | 124 | 125 Ų | 125 | 87% | 0.867 | 83% | 0.825 | S | S | * | * | | | trans | -103.4 | 160.3 | -168.4 | -178.2 | 0 | 0 | 0 | 0 | 115 | | |
| 436 | G | 34.4 | Very low | 36 | Very low | 73 Ų | 73 | 130.4 Ų | 130.4 | 75% | 0.753 | 83% | 0.83 | S | S | * | * | | | trans | -173.6 | 124 | 173 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 437 | Y | 36.1 | Very low | 35.7 | Very low | 239 Ų | 239 | 130.5 Ų | 130.5 | 94% | 0.937 | 83% | 0.83 | S | S | * | * | | | trans | -81 | 162 | -174.4 | -69.7 | -102.9 | 0 | 0 | 0 | 115.9 | | |
| 438 | G | 32.2 | Very low | 35.2 | Very low | 77 Ų | 77 | 129.8 Ų | 129.8 | 79% | 0.794 | 84% | 0.836 | S | S | * | * | | | trans | 174.4 | 130.5 | 157.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 439 | T | 34.5 | Very low | 35.6 | Very low | 150 Ų | 150 | 134 Ų | 134 | 92% | 0.92 | 84% | 0.84 | S | S | * | * | | | trans | -133.9 | 137 | -178.2 | 53.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 440 | G | 33.6 | Very low | 35.5 | Very low | 81 Ų | 81 | 137.9 Ų | 137.9 | 84% | 0.835 | 84% | 0.844 | S | S | * | * | | | trans | -178.2 | 97.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 441 | L | 36.6 | Very low | 35.1 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 88% | 0.88 | 84% | 0.839 | S | S | * | * | | | trans | 7.8 | 127.7 | 153.5 | -54.9 | 172.9 | 0 | 0 | 0 | 121 | | |
| 442 | L | 41.2 | Very low | 35 | Very low | 184 Ų | 184 | 134.5 Ų | 134.5 | 96% | 0.963 | 83% | 0.829 | S | S | * | * | | | | -178 | 169.2 | 114 | -96.4 | 168 | 0 | 0 | 0 | 111.3 | | |
| 443 | S | 32.5 | Very low | 34.8 | Very low | 119 Ų | 119 | 138 Ų | 138 | 83% | 0.832 | 84% | 0.838 | S | S | * | * | | | trans | -124.9 | 127 | -166.3 | 179.2 | 0 | 0 | 0 | 0 | 114.5 | | |
| 444 | A | 32.7 | Very low | 34.2 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | | | trans | -157.4 | 136.2 | 158.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 445 | N | 31.7 | Very low | 34.1 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 66% | 0.663 | 82% | 0.819 | S | S | * | * | | | trans | -70.8 | 147 | 167.7 | -137.6 | -30.2 | 0 | 0 | 0 | 108 | | |
| 446 | R | 36.4 | Very low | 34 | Very low | 216 Ų | 216 | 141.7 Ų | 141.7 | 82% | 0.815 | 81% | 0.806 | S | S | * | * | | | cis | -152.4 | 145.7 | 33.3 | -54.3 | 171.5 | -175.1 | -87.2 | -3.2 | 113.5 | | |
| 447 | H | 29.7 | Very low | 33.9 | Very low | 168 Ų | 168 | 146.2 Ų | 146.2 | 78% | 0.778 | 81% | 0.813 | S | S | * | * | | | trans | 1.7 | 126.6 | 158.4 | -63.7 | -108.4 | 0 | 0 | 0 | 121 | | |
| 448 | S | 30.1 | Very low | 33.7 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | trans | -141.1 | 143.9 | 144.4 | -83 | 0 | 0 | 0 | 0 | 108.9 | | |
| 449 | L | 42.4 | Very low | 33.6 | Very low | 161 Ų | 161 | 141 Ų | 141 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | | | trans | -90.7 | 128.6 | -177.9 | -87.8 | 65.6 | 0 | 0 | 0 | 111.8 | | |
| 450 | M | 36.2 | Very low | 33.2 | Very low | 184 Ų | 184 | 137.8 Ų | 137.8 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | | | trans | -170 | 150.1 | 151.7 | -114.5 | 174.2 | -170.1 | 0 | 0 | 113.9 | | |
| 451 | V | 31.1 | Very low | 33.2 | Very low | 140 Ų | 140 | 141.4 Ų | 141.4 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | | | trans | 67.6 | 113.8 | 157.4 | -179.4 | 0 | 0 | 0 | 0 | 120.2 | | |
| 452 | G | 32.6 | Very low | 32.8 | Very low | 58 Ų | 58 | 144 Ų | 144 | 60% | 0.598 | 79% | 0.787 | S | S | * | * | | | | 93.4 | 108.1 | 104.8 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 453 | T | 32 | Very low | 32.1 | Very low | 143 Ų | 143 | 138.5 Ų | 138.5 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | | | | 64.9 | 123 | 129.6 | 55.1 | 0 | 0 | 0 | 0 | 124.4 | | |
| 454 | H | 28.2 | Very low | 31.8 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | | | | 92.4 | 105.6 | 129.2 | -161.9 | -95.7 | 0 | 0 | 0 | 122.8 | E456 | H454-E456 IonicContact NE2-OE1 2.99Å; H454-E456 PolarHBondContact NE2-OE1 2.84Å |
| 455 | R | 33.8 | Very low | 31.7 | Very low | 193 Ų | 193 | 142.9 Ų | 142.9 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | | | trans | 57.6 | 174 | 139.5 | -78 | -154.9 | -161.6 | 169.5 | 4.5 | 120.8 | | |
| 456 | E | 35.9 | Very low | 31.3 | Very low | 126 Ų | 126 | 142.2 Ų | 142.2 | 59% | 0.589 | 78% | 0.783 | S | S | * | * | | | cis | -163.1 | 157.5 | -16.6 | 50 | -145 | 117.8 | 0 | 0 | 107.9 | H454 | H454-E456 IonicContact NE2-OE1 2.99Å; H454-E456 PolarHBondContact NE2-OE1 2.84Å |
| 457 | D | 33.3 | Very low | 31 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | | | cis | -139.3 | -140.7 | -6.6 | -157.3 | 31.2 | 0 | 0 | 0 | 108.3 | | |
| 458 | G | 31.2 | Very low | 31.2 | Very low | 51 Ų | 51 | 138.2 Ų | 138.2 | 53% | 0.526 | 78% | 0.782 | S | S | . | * | | | cis | 157.1 | 124.1 | -2.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 459 | V | 29.4 | Very low | 32 | Very low | 156 Ų | 156 | 137.6 Ų | 137.6 | 95% | 0.945 | 78% | 0.775 | S | S | * | * | | | trans | -145.6 | 146.9 | 171.9 | -164.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 460 | A | 27.7 | Very low | 31.2 | Very low | 82 Ų | 82 | 137.4 Ų | 137.4 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | | | trans | -76.9 | 175 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 461 | L | 32.3 | Very low | 30.9 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | | | | -150.8 | 127.9 | 55.2 | -73.9 | 163.4 | 0 | 0 | 0 | 111.6 | | |
| 462 | R | 27.9 | Very low | 30.8 | Very low | 221 Ų | 221 | 137 Ų | 137 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | | | | 52.5 | 109.6 | 94.2 | -175.8 | -173.7 | -91 | -87.9 | 7.7 | 115 | | |
| 463 | G | 26.8 | Very low | 31.1 | Very low | 70 Ų | 70 | 139.5 Ų | 139.5 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | | | trans | -104.8 | 178.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 464 | S | 26.9 | Very low | 31 | Very low | 116 Ų | 116 | 139 Ų | 139 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | | | trans | -152.5 | 144 | 170.6 | -74.1 | 0 | 0 | 0 | 0 | 110 | | |
| 465 | H | 29.5 | Very low | 31.4 | Very low | 192 Ų | 192 | 137.9 Ų | 137.9 | 89% | 0.889 | 78% | 0.779 | S | S | * | * | | | trans | -109.9 | 153.4 | -179.4 | -74.4 | -99 | 0 | 0 | 0 | 113.2 | | |
| 466 | S | 24 | Very low | 31.3 | Very low | 110 Ų | 110 | 137.4 Ų | 137.4 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | -170.8 | 153.9 | 154 | -79.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 467 | L | 30.7 | Very low | 31 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | | | cis | -164 | 143.9 | -23.2 | -108.2 | 175.7 | 0 | 0 | 0 | 108 | | |
| 468 | L | 33.1 | Very low | 31.3 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | trans | 67.8 | 163.7 | 157.7 | -68 | 164.3 | 0 | 0 | 0 | 119.7 | | |
| 469 | P | 47.1 | Very low | 31.7 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | trans | -122.8 | -176 | -157.1 | 44.5 | -32.5 | 0 | 0 | 0 | 115.1 | | |
| 470 | N | 26.3 | Very low | 31.7 | Very low | 157 Ų | 157 | 141 Ų | 141 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | | | trans | -150.6 | 155.2 | 157.8 | -152.2 | 7.8 | 0 | 0 | 0 | 113.4 | | |
| 471 | Q | 29.1 | Very low | 32 | Very low | 172 Ų | 172 | 142.1 Ų | 142.1 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -131.3 | 141.9 | -179.4 | -63.6 | 175.1 | -23.6 | 0 | 0 | 111.2 | | |
| 472 | V | 29.8 | Very low | 31.7 | Very low | 144 Ų | 144 | 139.3 Ų | 139.3 | 87% | 0.873 | 80% | 0.797 | S | S | * | * | | | trans | -165.9 | 159.4 | 149.9 | -101.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 473 | P | 38.8 | Very low | 32 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | | | trans | -140.1 | -164 | -134.4 | 45 | -26.8 | 0 | 0 | 0 | 117.1 | | |
| 474 | V | 29.5 | Very low | 32.2 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | | | trans | 76.8 | 149.5 | 158.8 | 165.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 475 | P | 36.3 | Very low | 32.7 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | | | cis | -116.6 | 176.7 | 5.5 | 18.4 | 5.7 | 0 | 0 | 0 | 116.7 | | |
| 476 | Q | 32.8 | Very low | 33 | Very low | 183 Ų | 183 | 134 Ų | 134 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | | | trans | -117.8 | 141.1 | -177.7 | 159.8 | -167.9 | -15.4 | 0 | 0 | 110.8 | | |
| 477 | L | 29.6 | Very low | 33.6 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | | | trans | -179.7 | 156.5 | 157 | -105.6 | 172.3 | 0 | 0 | 0 | 110.6 | | |
| 478 | P | 37.7 | Very low | 33.8 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | | | | -105 | 168 | -67.8 | 36.2 | -25.8 | 0 | 0 | 0 | 112.7 | | |
| 479 | V | 40.6 | Very low | 34.2 | Very low | 134 Ų | 134 | 132.4 Ų | 132.4 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | | | trans | -71 | 134.4 | 168.2 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 480 | Q | 29.3 | Very low | 33.9 | Very low | 180 Ų | 180 | 133.1 Ų | 133.1 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | | | trans | -133.1 | 134.6 | 154.4 | -69.2 | -164.2 | 12.7 | 0 | 0 | 110.2 | | |
| 481 | S | 33.3 | Very low | 34.4 | Very low | 105 Ų | 105 | 134 Ų | 134 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | | | trans | -77 | 124 | -175 | -52.6 | 0 | 0 | 0 | 0 | 111.5 | T483 | S481-T483 PolarHBondContact O-N 2.67Å; S481-T483 VanDerWaalsContact O-N 3.1Å |
| 482 | A | 27.1 | Very low | 34.8 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -78.5 | 86.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | S484 | A482-S484 PolarHBondContact O-N 3.2Š|
| 483 | T | 33.9 | Very low | 35.4 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | trans | -71.1 | 104.9 | 158.9 | 46.5 | 0 | 0 | 0 | 0 | 108.3 | S481 | S481-T483 PolarHBondContact O-N 2.67Å; S481-T483 VanDerWaalsContact O-N 3.1Å |
| 484 | S | 29.8 | Very low | 35.4 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | | | trans | -59.4 | 135.6 | 177.2 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | A482 D486 | A482-S484 PolarHBondContact O-N 3.2Å; S484-D486 PolarHBondContact O-N 2.7Å |
| 485 | P | 38.9 | Very low | 36.2 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | | | trans | -72.2 | 115.4 | 160.4 | 29.9 | -30.3 | 0 | 0 | 0 | 108.6 | L487 | P485-L487 PolarHBondContact O-N 3.13Š|
| 486 | D | 36.3 | Very low | 36.3 | Very low | 140 Ų | 140 | 140.5 Ų | 140.5 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | | | trans | -70.9 | 115.9 | 168.7 | -180 | 10.3 | 0 | 0 | 0 | 109.4 | S484 N488 | S484-D486 PolarHBondContact O-N 2.7Å; D486-N488 PolarHBondContact OD1-N 2.78Å |
| 487 | L | 35.7 | Very low | 36.7 | Very low | 157 Ų | 157 | 136 Ų | 136 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | | | trans | -137.7 | 63.3 | 171.9 | -74.6 | 179.8 | 0 | 0 | 0 | 110 | P485 P489 | P485-L487 PolarHBondContact O-N 3.13Å; L487-P489 VanDerWaalsContact O-CD 3.27Å; L487-P489 WeakPolarHBondContact O-CD 3.37Å |
| 488 | N | 35.7 | Very low | 37.5 | Very low | 129 Ų | 129 | 132 Ų | 132 | 69% | 0.69 | 74% | 0.741 | S | S | * | * | | | trans | -31 | 109.4 | 164.9 | 178.4 | 11.3 | 0 | 0 | 0 | 114.8 | D486 | D486-N488 PolarHBondContact OD1-N 2.78Š|
| 489 | P | 40.8 | Very low | 38 | Very low | 92 Ų | 92 | 131 Ų | 131 | 60% | 0.597 | 74% | 0.742 | S | S | * | * | | | trans | -89.8 | 128.5 | 161.4 | 33.5 | -25.5 | 0 | 0 | 0 | 109.7 | L487 Q491 | L487-P489 VanDerWaalsContact O-CD 3.27Å; L487-P489 WeakPolarHBondContact O-CD 3.37Å; P489-Q491 PolarHBondContact O-N 3.28Å |
| 490 | P | 39.9 | Very low | 38.1 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | | | trans | -68.8 | 96.9 | 178.9 | 27.8 | -34.1 | 0 | 0 | 0 | 111.1 | D492 | P490-D492 PolarHBondContact O-N 3.33Š|
| 491 | Q | 38.1 | Very low | 38.7 | Very low | 176 Ų | 176 | 128.9 Ų | 128.9 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | | | trans | -86.3 | 105.4 | 169.9 | -70.4 | -152.5 | -42.9 | 0 | 0 | 110.2 | P489 P493 | P489-Q491 PolarHBondContact O-N 3.28Å; Q491-P493 WeakPolarHBondContact O-CD 3.49Å |
| 492 | D | 36.4 | Very low | 39.2 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 68% | 0.679 | 72% | 0.715 | S | S | * | * | | | trans | -83.5 | 110.8 | 173.1 | -168.6 | -17.2 | 0 | 0 | 0 | 109.9 | P490 Y494 | P490-D492 PolarHBondContact O-N 3.33Å; D492-Y494 PolarHBondContact O-N 2.86Å; D492-Y494 VanDerWaalsContact O-N 3.11Å |
| 493 | P | 43.3 | Very low | 39.9 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 75% | 0.753 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -5.6 | -166.8 | -21.2 | 35.1 | 0 | 0 | 0 | 116 | Q491 R495 | Q491-P493 WeakPolarHBondContact O-CD 3.49Å; P493-R495 PolarHBondContact O-N 2.83Å |
| 494 | Y | 37.8 | Very low | 40.4 | Very low | 177 Ų | 177 | 129.4 Ų | 129.4 | 69% | 0.694 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 1.7 | -165.4 | -85.7 | -85 | 0 | 0 | 0 | 116.4 | D492 E496 | D492-Y494 PolarHBondContact O-N 2.86Å; D492-Y494 VanDerWaalsContact O-N 3.11Å; Y494-E496 PolarHBondContact O-N 2.95Å |
| 495 | R | 46.4 | Very low | 41 | Very low | 212 Ų | 212 | 128.9 Ų | 128.9 | 80% | 0.8 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -82.5 | 2 | -165 | -143.4 | -147.6 | 175.1 | -77.7 | -0.6 | 117.3 | P493 | P493-R495 PolarHBondContact O-N 2.83Š|
| 496 | E | 39.8 | Very low | 41.2 | Very low | 186 Ų | 186 | 131.7 Ų | 131.7 | 87% | 0.869 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -116.7 | -20.7 | -175.3 | -162.4 | 152.3 | -132.4 | 0 | 0 | 114.4 | Y494 | Y494-E496 PolarHBondContact O-N 2.95Š|
| 497 | A | 41.2 | Very low | 41.8 | Very low | 90 Ų | 90 | 127.1 Ų | 127.1 | 74% | 0.744 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -0.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 498 | L | 45.5 | Very low | 42.2 | Very low | 78 Ų | 78 | 126.1 Ų | 126.1 | 41% | 0.408 | 66% | 0.66 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106 | 5.3 | -168.1 | -76.8 | 170.5 | 0 | 0 | 0 | 115.5 | E500 T501 Q502 | L498-E500 PolarHBondContact O-N 3.42Å; L498-T501 PolarHBondContact O-N 3.3Å; L498-Q502 HydrophobicContact CB-CG 4.25Å; L498-Q502 WeakPolarHBondContact O-CG 3.47Å; L498-Q502 PolarHBondContact O-N 3.49Å |
| 499 | A | 47.2 | Very low | 42.7 | Very low | 79 Ų | 79 | 126.5 Ų | 126.5 | 65% | 0.653 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -42.4 | -173 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 500 | E | 42.8 | Very low | 43.1 | Very low | 190 Ų | 190 | 124.9 Ų | 124.9 | 89% | 0.888 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -4.9 | -176.4 | -61.9 | -172.9 | 145.7 | 0 | 0 | 114 | L498 | L498-E500 PolarHBondContact O-N 3.42Š|
| 501 | T | 43.4 | Very low | 43.5 | Very low | 79 Ų | 79 | 124.5 Ų | 124.5 | 49% | 0.485 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.5 | -7 | 176.8 | -47.8 | 0 | 0 | 0 | 0 | 112.9 | L498 S504 N505 | L498-T501 PolarHBondContact O-N 3.3Å; T501-S504 PolarHBondContact O-OG 3.12Å; T501-N505 PolarHBondContact O-ND2 3.32Å |
| 502 | Q | 43.2 | Very low | 44.1 | Very low | 100 Ų | 100 | 122.2 Ų | 122.2 | 47% | 0.467 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -73 | -27 | 174 | -85 | 179.2 | 3.6 | 0 | 0 | 113.7 | L498 S504 N505 W506 | L498-Q502 HydrophobicContact CB-CG 4.25Å; L498-Q502 WeakPolarHBondContact O-CG 3.47Å; L498-Q502 PolarHBondContact O-N 3.49Å; Q502-S504 VanDerWaalsContact C-N 3.26Å; Q502-S504 PolarHBondContact O-N 3.5Å; Q502-N505 PolarHBondContact O-N 3.03Å; Q502-N505 VanDerWaalsContact O-N 3.12Å; Q502-W506 PolarHBondContact O-N 2.88Å |
| 503 | E | 42.5 | Very low | 45 | Very low | 164 Ų | 164 | 119.7 Ų | 119.7 | 77% | 0.766 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.5 | -14.5 | -176.8 | -86.9 | -161.3 | 160.4 | 0 | 0 | 115.3 | W506 | E503-W506 VanDerWaalsContact C-CD1 3.44Å; E503-W506 PolarHBondContact O-NE1 2.91Å |
| 504 | S | 43.1 | Very low | 45.6 | Very low | 79 Ų | 79 | 115.9 Ų | 115.9 | 55% | 0.552 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -92.2 | -34.6 | 166.3 | 55.5 | 0 | 0 | 0 | 0 | 112.8 | T501 Q502 | T501-S504 PolarHBondContact O-OG 3.12Å; Q502-S504 VanDerWaalsContact C-N 3.26Å; Q502-S504 PolarHBondContact O-N 3.5Å |
| 505 | N | 43.1 | Very low | 46.7 | Very low | 96 Ų | 96 | 115.7 Ų | 115.7 | 51% | 0.513 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -77.7 | -30 | -175.2 | -90.8 | -79.3 | 0 | 0 | 0 | 114.5 | T501 Q502 A507 Q508 K509 | T501-N505 PolarHBondContact O-ND2 3.32Å; Q502-N505 PolarHBondContact O-N 3.03Å; Q502-N505 VanDerWaalsContact O-N 3.12Å; N505-A507 VanDerWaalsContact C-N 3.32Å; N505-A507 PolarHBondContact O-N 3.02Å; N505-Q508 PolarHBondContact O-N 3.02Å; N505-K509 WeakPolarHBondContact O-CB 3.29Å; N505-K509 PolarHBondContact O-N 3.03Å |
| 506 | W | 43.4 | Very low | 47.8 | Very low | 172 Ų | 172 | 113.6 Ų | 113.6 | 65% | 0.652 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.1 | -39.7 | 176.7 | 77.2 | -71.3 | 0 | 0 | 0 | 112 | Q502 E503 Q508 K509 C510 | Q502-W506 PolarHBondContact O-N 2.88Å; E503-W506 VanDerWaalsContact C-CD1 3.44Å; E503-W506 PolarHBondContact O-NE1 2.91Å; W506-Q508 VanDerWaalsContact C-N 3.34Å; W506-K509 PolarHBondContact O-N 3.31Å; W506-C510 WeakPolarHBondContact O-CB 3.4Å; W506-C510 PolarHBondContact O-N 3.27Å; W506-C510 PolarHBondContact O-SG 3.35Å; W506-C510 VanDerWaalsContact O-SG 3.38Å |
| 507 | A | 48.6 | Very low | 49.3 | Very low | 43 Ų | 43 | 107.1 Ų | 107.1 | 36% | 0.355 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.5 | -33.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N505 C510 N511 | N505-A507 VanDerWaalsContact C-N 3.32Å; N505-A507 PolarHBondContact O-N 3.02Å; A507-C510 PolarHBondContact O-SG 3.02Å; A507-C510 VanDerWaalsContact O-SG 3.38Å; A507-N511 PolarHBondContact O-ND2 2.91Å |
| 508 | Q | 44.6 | Very low | 51.3 | Low | 137 Ų | 137 | 105.9 Ų | 105.9 | 64% | 0.64 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -71.2 | -40.9 | 173.6 | -160.2 | 75.7 | -1.1 | 0 | 0 | 111.5 | N505 W506 | N505-Q508 PolarHBondContact O-N 3.02Å; W506-Q508 VanDerWaalsContact C-N 3.34Å |
| 509 | K | 46.6 | Very low | 53.1 | Low | 136 Ų | 136 | 107.7 Ų | 107.7 | 59% | 0.591 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -79.6 | -31.9 | -175.1 | -171.9 | 147.2 | -172.9 | 163.5 | 0 | 113.8 | N505 W506 N511 N512 D513 | N505-K509 WeakPolarHBondContact O-CB 3.29Å; N505-K509 PolarHBondContact O-N 3.03Å; W506-K509 PolarHBondContact O-N 3.31Å; K509-N511 PolarHBondContact O-N 3.48Å; K509-N511 VanDerWaalsContact O-N 3.07Å; K509-N512 PolarHBondContact O-N 3.44Å; K509-D513 WeakPolarHBondContact CE-OD2 3.45Å; K509-D513 WeakPolarHBondContact CG-OD2 3.31Å; K509-D513 IonicContact NZ-OD2 2.61Å |
| 510 | C | 47.8 | Very low | 54.9 | Low | 59 Ų | 59 | 111.6 Ų | 111.6 | 40% | 0.399 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.7 | -3.9 | 177.8 | 73 | 0 | 0 | 0 | 0 | 114.8 | W506 A507 | W506-C510 WeakPolarHBondContact O-CB 3.4Å; W506-C510 PolarHBondContact O-N 3.27Å; W506-C510 PolarHBondContact O-SG 3.35Å; W506-C510 VanDerWaalsContact O-SG 3.38Å; A507-C510 PolarHBondContact O-SG 3.02Å; A507-C510 VanDerWaalsContact O-SG 3.38Å |
| 511 | N | 49.4 | Very low | 57.1 | Low | 118 Ų | 118 | 107.3 Ų | 107.3 | 63% | 0.631 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | -17.9 | 178.3 | -78.4 | -73.3 | 0 | 0 | 0 | 114.5 | A507 K509 | A507-N511 PolarHBondContact O-ND2 2.91Å; K509-N511 PolarHBondContact O-N 3.48Å; K509-N511 VanDerWaalsContact O-N 3.07Å |
| 512 | N | 49.6 | Very low | 59.2 | Low | 128 Ų | 128 | 108.1 Ų | 108.1 | 68% | 0.684 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -32.3 | 178.3 | -75.4 | -59.3 | 0 | 0 | 0 | 112.9 | K509 D514 | K509-N512 PolarHBondContact O-N 3.44Å; N512-D514 VanDerWaalsContact C-N 3.26Å; N512-D514 PolarHBondContact O-N 3.01Å |
| 513 | D | 55 | Low | 61.5 | Low | 74 Ų | 74 | 106.3 Ų | 106.3 | 40% | 0.396 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.4 | 29.9 | -178.7 | -59.6 | -25.8 | 0 | 0 | 0 | 112.9 | K509 L517 R525 | K509-D513 WeakPolarHBondContact CE-OD2 3.45Å; K509-D513 WeakPolarHBondContact CG-OD2 3.31Å; K509-D513 IonicContact NZ-OD2 2.61Å; D513-L517 VanDerWaalsContact O-CD1 3.28Å; D513-L517 WeakPolarHBondContact O-CD1 3.22Å; D513-R525 PolarHBondContact O-NH1 3.1Å; D513-R525 PolarHBondContact O-NH2 3.1Å |
| 514 | D | 57.5 | Low | 63.9 | Low | 37 Ų | 37 | 104 Ų | 104 | 20% | 0.198 | 54% | 0.543 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -134.7 | -5.9 | -169.1 | -138.4 | 62.8 | 0 | 0 | 0 | 114.8 | N512 K522 R525 | N512-D514 VanDerWaalsContact C-N 3.26Å; N512-D514 PolarHBondContact O-N 3.01Å; D514-K522 WeakPolarHBondContact OD2-CE 3.37Å; D514-K522 IonicContact OD2-NZ 2.72Å; D514-K522 PolarHBondContact OD2-NZ 3.31Å; D514-R525 IonicContact OD1-CZ 3.15Å; D514-R525 IonicContact OD1-NH1 4Å; D514-R525 PolarHBondContact OD1-NH1 2.9Å |
| 515 | E | 60.6 | Low | 66.2 | Low | 173 Ų | 173 | 105.3 Ų | 105.3 | 81% | 0.808 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -85.4 | -37.2 | 176.1 | -68 | -74.3 | 113.9 | 0 | 0 | 112.8 | | |
| 516 | D | 68.3 | Low | 68.6 | Low | 167 Ų | 167 | 103.3 Ų | 103.3 | 89% | 0.893 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -88.1 | 0.3 | -179.3 | -85.7 | -39.5 | 0 | 0 | 0 | 114.2 | | |
| 517 | L | 72 | Confident | 71.1 | Confident | 51 Ų | 51 | 100.2 Ų | 100.2 | 27% | 0.267 | 52% | 0.515 | S | S | . | . | | | trans | -83.5 | 137.8 | -176.6 | -69.4 | -176.8 | 0 | 0 | 0 | 112.8 | D513 Q521 R525 | D513-L517 VanDerWaalsContact O-CD1 3.28Å; D513-L517 WeakPolarHBondContact O-CD1 3.22Å; L517-Q521 HydrophobicContact CB-CB 4.4Å; L517-Q521 HydrophobicContact CD2-CB 4.29Å; L517-R525 VanDerWaalsContact CD1-NH1 3.32Å |
| 518 | T | 82.6 | Confident | 73.4 | Confident | 64 Ų | 64 | 104.4 Ų | 104.4 | 39% | 0.393 | 53% | 0.527 | S | S | . | . | | | trans | -66 | 152.3 | 172.8 | 74.9 | 0 | 0 | 0 | 0 | 110.8 | E520 Q521 K522 | T518-E520 PolarHBondContact O-N 3.4Å; T518-E520 VanDerWaalsContact O-N 3.07Å; T518-Q521 PolarHBondContact O-N 3.33Å; T518-Q521 WeakPolarHBondContact OG1-CG 3.45Å; T518-Q521 PolarHBondContact OG1-N 3.12Å; T518-Q521 PolarHBondContact OG1-OE1 2.76Å; T518-K522 PolarHBondContact O-N 3.5Å |
| 519 | P | 83.6 | Confident | 75.9 | Confident | 115 Ų | 115 | 104.7 Ų | 104.7 | 75% | 0.747 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -54.8 | -29.3 | 176.3 | -28 | 36 | 0 | 0 | 0 | 113.7 | A523 | P519-A523 WeakPolarHBondContact O-CB 3.46Å; P519-A523 PolarHBondContact O-N 3.07Å |
| 520 | E | 84.9 | Confident | 78.3 | Confident | 162 Ų | 162 | 105.7 Ų | 105.7 | 76% | 0.757 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -71.6 | -45.7 | 176.3 | -172.6 | 167.5 | -148.1 | 0 | 0 | 112.2 | T518 K522 A523 E524 | T518-E520 PolarHBondContact O-N 3.4Å; T518-E520 VanDerWaalsContact O-N 3.07Å; E520-K522 VanDerWaalsContact C-N 3.32Å; E520-K522 PolarHBondContact O-N 2.64Å; E520-A523 WeakPolarHBondContact O-CB 3.49Å; E520-A523 PolarHBondContact O-N 2.89Å; E520-E524 PolarHBondContact O-N 3.33Å |
| 521 | Q | 89.1 | Confident | 80.6 | Confident | 99 Ų | 99 | 108.2 Ų | 108.2 | 46% | 0.463 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 173.6 | -71 | 168.1 | -29 | 0 | 0 | 111.8 | L517 T518 E524 R525 | L517-Q521 HydrophobicContact CB-CB 4.4Å; L517-Q521 HydrophobicContact CD2-CB 4.29Å; T518-Q521 PolarHBondContact O-N 3.33Å; T518-Q521 WeakPolarHBondContact OG1-CG 3.45Å; T518-Q521 PolarHBondContact OG1-N 3.12Å; T518-Q521 PolarHBondContact OG1-OE1 2.76Å; Q521-E524 PolarHBondContact O-N 2.82Å; Q521-R525 WeakPolarHBondContact O-CB 3.2Å; Q521-R525 PolarHBondContact O-N 2.95Å |
| 522 | K | 88.3 | Confident | 82.9 | Confident | 96 Ų | 96 | 104.6 Ų | 104.6 | 42% | 0.417 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.9 | -37.3 | 176.1 | -166.7 | 155 | 178.3 | 155.5 | 0 | 112 | D514 T518 E520 E526 | D514-K522 WeakPolarHBondContact OD2-CE 3.37Å; D514-K522 IonicContact OD2-NZ 2.72Å; D514-K522 PolarHBondContact OD2-NZ 3.31Å; T518-K522 PolarHBondContact O-N 3.5Å; E520-K522 VanDerWaalsContact C-N 3.32Å; E520-K522 PolarHBondContact O-N 2.64Å; K522-E526 PolarHBondContact O-N 3.11Å; K522-E526 VanDerWaalsContact O-N 3.11Å |
| 523 | A | 90.5 | Very high | 85.2 | Confident | 62 Ų | 62 | 103.2 Ų | 103.2 | 51% | 0.512 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.5 | -38.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | P519 E520 K527 | P519-A523 WeakPolarHBondContact O-CB 3.46Å; P519-A523 PolarHBondContact O-N 3.07Å; E520-A523 WeakPolarHBondContact O-CB 3.49Å; E520-A523 PolarHBondContact O-N 2.89Å; A523-K527 VanDerWaalsContact O-CB 3.28Å; A523-K527 WeakPolarHBondContact O-CB 3.46Å; A523-K527 PolarHBondContact O-N 3.02Å |
| 524 | E | 92.6 | Very high | 87.3 | Confident | 116 Ų | 116 | 103.3 Ų | 103.3 | 54% | 0.542 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.1 | -42.5 | 175.2 | -175.2 | 135.3 | -103.5 | 0 | 0 | 112.5 | E520 Q521 E526 K527 E528 | E520-E524 PolarHBondContact O-N 3.33Å; Q521-E524 PolarHBondContact O-N 2.82Å; E524-E526 VanDerWaalsContact C-N 3.32Å; E524-E526 PolarHBondContact O-N 3.28Å; E524-K527 WeakPolarHBondContact O-CB 3.43Å; E524-K527 PolarHBondContact O-N 2.92Å; E524-K527 VanDerWaalsContact O-N 3.17Å; E524-K527 IonicContact OE1-NZ 2.64Å; E524-K527 PolarHBondContact OE1-NZ 3.21Å; E524-E528 PolarHBondContact O-N 3.25Å |
| 525 | R | 91.4 | Very high | 89.2 | Confident | 106 Ų | 106 | 104 Ų | 104 | 40% | 0.4 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -55.8 | -44.3 | 172.6 | 179.1 | 179.9 | -82 | -175.2 | -4.3 | 111.7 | D513 D514 L517 Q521 E528 R529 | D513-R525 PolarHBondContact O-NH1 3.1Å; D513-R525 PolarHBondContact O-NH2 3.1Å; D514-R525 IonicContact OD1-CZ 3.15Å; D514-R525 IonicContact OD1-NH1 4Å; D514-R525 PolarHBondContact OD1-NH1 2.9Å; L517-R525 VanDerWaalsContact CD1-NH1 3.32Å; Q521-R525 WeakPolarHBondContact O-CB 3.2Å; Q521-R525 PolarHBondContact O-N 2.95Å; R525-E528 PolarHBondContact O-N 3.43Å; R525-R529 WeakPolarHBondContact O-CB 3.27Å; R525-R529 PolarHBondContact O-N 2.96Å |
| 526 | E | 94.6 | Very high | 91 | Very high | 54 Ų | 54 | 104.7 Ų | 104.7 | 25% | 0.252 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.3 | -35.1 | 176.8 | 175 | 59.4 | -174.4 | 0 | 0 | 112.9 | K522 E524 R529 R530 | K522-E526 PolarHBondContact O-N 3.11Å; K522-E526 VanDerWaalsContact O-N 3.11Å; E524-E526 VanDerWaalsContact C-N 3.32Å; E524-E526 PolarHBondContact O-N 3.28Å; E526-R529 VanDerWaalsContact CD-NH2 3.33Å; E526-R529 PolarHBondContact O-N 3.46Å; E526-R529 IonicContact OE1-CZ 3.13Å; E526-R529 IonicContact OE1-NE 2.67Å; E526-R529 IonicContact OE1-NH2 2.76Å; E526-R529 PolarHBondContact OE1-NH2 3.12Å; E526-R529 IonicContact OE2-CZ 2.7Å; E526-R529 VanDerWaalsContact OE2-CZ 3.32Å; E526-R529 IonicContact OE2-NE 3.2Å; E526-R529 PolarHBondContact OE2-NE 3.09Å; E526-R529 IonicContact OE2-NH2 3.12Å; E526-R529 PolarHBondContact OE2-NH2 3.44Å; E526-R529 VanDerWaalsContact OE2-NH2 3.1Å; E526-R530 WeakPolarHBondContact O-CB 3.32Å; E526-R530 VanDerWaalsContact O-CG 3.31Å; E526-R530 WeakPolarHBondContact O-CG 3.37Å; E526-R530 PolarHBondContact O-N 3.28Å; E526-R530 IonicContact OE1-CZ 3.05Å; E526-R530 IonicContact OE1-NE 2.72Å; E526-R530 PolarHBondContact OE1-NE 3.34Å; E526-R530 IonicContact OE1-NH2 2.75Å; E526-R530 PolarHBondContact OE1-NH2 3.04Å |
| 527 | K | 96.1 | Very high | 92.5 | Very high | 108 Ų | 108 | 100.2 Ų | 100.2 | 47% | 0.47 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 171.9 | 170.4 | -167.7 | 164.2 | -157.6 | 0 | 110.8 | A523 E524 R530 M531 | A523-K527 VanDerWaalsContact O-CB 3.28Å; A523-K527 WeakPolarHBondContact O-CB 3.46Å; A523-K527 PolarHBondContact O-N 3.02Å; E524-K527 WeakPolarHBondContact O-CB 3.43Å; E524-K527 PolarHBondContact O-N 2.92Å; E524-K527 VanDerWaalsContact O-N 3.17Å; E524-K527 IonicContact OE1-NZ 2.64Å; E524-K527 PolarHBondContact OE1-NZ 3.21Å; K527-R530 PolarHBondContact O-N 2.99Å; K527-M531 HydrophobicContact CG-CE 4.23Å; K527-M531 WeakPolarHBondContact O-CG 3.25Å; K527-M531 PolarHBondContact O-N 3.31Å |
| 528 | E | 95.9 | Very high | 93.7 | Very high | 131 Ų | 131 | 106.1 Ų | 106.1 | 61% | 0.612 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61 | -48.5 | 174.2 | -171.5 | -176.6 | -167.9 | 0 | 0 | 111.4 | E524 R525 R530 M531 A532 | E524-E528 PolarHBondContact O-N 3.25Å; R525-E528 PolarHBondContact O-N 3.43Å; E528-R530 PolarHBondContact O-N 2.94Å; E528-M531 HydrophobicContact CB-CE 4.44Å; E528-M531 PolarHBondContact O-N 3.37Å; E528-A532 WeakPolarHBondContact O-CB 3.49Å; E528-A532 PolarHBondContact O-N 2.88Å |
| 529 | R | 96.8 | Very high | 94.5 | Very high | 142 Ų | 142 | 107.4 Ų | 107.4 | 54% | 0.536 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -55.7 | -40.1 | 176.8 | -164.3 | -168.6 | 66.7 | 83.2 | 5.5 | 112.1 | R525 E526 N533 | R525-R529 WeakPolarHBondContact O-CB 3.27Å; R525-R529 PolarHBondContact O-N 2.96Å; E526-R529 VanDerWaalsContact CD-NH2 3.33Å; E526-R529 PolarHBondContact O-N 3.46Å; E526-R529 IonicContact OE1-CZ 3.13Å; E526-R529 IonicContact OE1-NE 2.67Å; E526-R529 IonicContact OE1-NH2 2.76Å; E526-R529 PolarHBondContact OE1-NH2 3.12Å; E526-R529 IonicContact OE2-CZ 2.7Å; E526-R529 VanDerWaalsContact OE2-CZ 3.32Å; E526-R529 IonicContact OE2-NE 3.2Å; E526-R529 PolarHBondContact OE2-NE 3.09Å; E526-R529 IonicContact OE2-NH2 3.12Å; E526-R529 PolarHBondContact OE2-NH2 3.44Å; E526-R529 VanDerWaalsContact OE2-NH2 3.1Å; R529-N533 WeakPolarHBondContact O-CB 3.49Å; R529-N533 PolarHBondContact O-N 2.7Å |
| 530 | R | 97.3 | Very high | 95.2 | Very high | 158 Ų | 158 | 108.9 Ų | 108.9 | 60% | 0.596 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.3 | -41.6 | 174.4 | -73.4 | 174.9 | -172.1 | 164.1 | 7.3 | 112.8 | E526 K527 E528 N533 N534 | E526-R530 WeakPolarHBondContact O-CB 3.32Å; E526-R530 VanDerWaalsContact O-CG 3.31Å; E526-R530 WeakPolarHBondContact O-CG 3.37Å; E526-R530 PolarHBondContact O-N 3.28Å; E526-R530 IonicContact OE1-CZ 3.05Å; E526-R530 IonicContact OE1-NE 2.72Å; E526-R530 PolarHBondContact OE1-NE 3.34Å; E526-R530 IonicContact OE1-NH2 2.75Å; E526-R530 PolarHBondContact OE1-NH2 3.04Å; K527-R530 PolarHBondContact O-N 2.99Å; E528-R530 PolarHBondContact O-N 2.94Å; R530-N533 PolarHBondContact O-N 3.32Å; R530-N534 WeakPolarHBondContact O-CB 3.47Å; R530-N534 PolarHBondContact O-N 3.46Å |
| 531 | M | 96.9 | Very high | 95.9 | Very high | 111 Ų | 111 | 104 Ų | 104 | 55% | 0.547 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 175.1 | -70.6 | -172.5 | -59.5 | 0 | 0 | 111.5 | K527 E528 N533 N534 A535 | K527-M531 HydrophobicContact CG-CE 4.23Å; K527-M531 WeakPolarHBondContact O-CG 3.25Å; K527-M531 PolarHBondContact O-N 3.31Å; E528-M531 HydrophobicContact CB-CE 4.44Å; E528-M531 PolarHBondContact O-N 3.37Å; M531-N533 PolarHBondContact O-N 3.15Å; M531-N534 PolarHBondContact O-N 3.17Å; M531-A535 WeakPolarHBondContact O-CB 3.36Å; M531-A535 PolarHBondContact O-N 3.44Å |
| 532 | A | 96.9 | Very high | 96.3 | Very high | 42 Ų | 42 | 105.5 Ų | 105.5 | 35% | 0.347 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E528 A535 R536 | E528-A532 WeakPolarHBondContact O-CB 3.49Å; E528-A532 PolarHBondContact O-N 2.88Å; A532-A535 PolarHBondContact O-N 3.45Å; A532-R536 WeakPolarHBondContact O-CG 3.08Å; A532-R536 PolarHBondContact O-N 3.16Å; A532-R536 VanDerWaalsContact O-N 3.15Å |
| 533 | N | 98.2 | Very high | 96.8 | Very high | 99 Ų | 99 | 104.6 Ų | 104.6 | 53% | 0.529 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.7 | -45.7 | 174.2 | -174.6 | -82.5 | 0 | 0 | 0 | 111.7 | R529 R530 M531 A535 R536 E537 | R529-N533 WeakPolarHBondContact O-CB 3.49Å; R529-N533 PolarHBondContact O-N 2.7Å; R530-N533 PolarHBondContact O-N 3.32Å; M531-N533 PolarHBondContact O-N 3.15Å; N533-A535 VanDerWaalsContact C-N 3.31Å; N533-A535 PolarHBondContact O-N 3.46Å; N533-R536 PolarHBondContact O-N 2.91Å; N533-E537 PolarHBondContact O-N 2.93Å |
| 534 | N | 98.5 | Very high | 97.2 | Very high | 77 Ų | 77 | 105 Ų | 105 | 41% | 0.412 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.9 | -35.9 | 177.7 | -166.7 | -107 | 0 | 0 | 0 | 112.4 | R530 M531 R538 | R530-N534 WeakPolarHBondContact O-CB 3.47Å; R530-N534 PolarHBondContact O-N 3.46Å; M531-N534 PolarHBondContact O-N 3.17Å; N534-R538 VanDerWaalsContact O-CG 3.27Å; N534-R538 WeakPolarHBondContact O-CG 3.37Å; N534-R538 PolarHBondContact O-N 3.34Å; N534-R538 PolarHBondContact OD1-NE 3.12Å; N534-R538 PolarHBondContact OD1-NH2 3.32Å |
| 535 | A | 98.6 | Very high | 97.5 | Very high | 52 Ų | 52 | 102.1 Ų | 102.1 | 43% | 0.43 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M531 A532 N533 R538 L539 | M531-A535 WeakPolarHBondContact O-CB 3.36Å; M531-A535 PolarHBondContact O-N 3.44Å; A532-A535 PolarHBondContact O-N 3.45Å; N533-A535 VanDerWaalsContact C-N 3.31Å; N533-A535 PolarHBondContact O-N 3.46Å; A535-R538 PolarHBondContact O-N 2.93Å; A535-L539 PolarHBondContact O-N 3.29Å |
| 536 | R | 98.6 | Very high | 97.8 | Very high | 187 Ų | 187 | 101.3 Ų | 101.3 | 71% | 0.706 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.2 | -44.6 | 175.4 | -67.7 | 175.3 | -163.8 | -147.8 | 5.7 | 111.8 | A532 N533 R538 L539 R540 | A532-R536 WeakPolarHBondContact O-CG 3.08Å; A532-R536 PolarHBondContact O-N 3.16Å; A532-R536 VanDerWaalsContact O-N 3.15Å; N533-R536 PolarHBondContact O-N 2.91Å; R536-R538 PolarHBondContact O-N 3.26Å; R536-L539 PolarHBondContact O-N 3.42Å; R536-R540 PolarHBondContact O-N 3.28Å |
| 537 | E | 98.6 | Very high | 98 | Very high | 72 Ų | 72 | 101.6 Ų | 101.6 | 34% | 0.336 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67 | -35.4 | 178.9 | -172.9 | 59.1 | -162.1 | 0 | 0 | 112.3 | N533 L539 R540 V541 | N533-E537 PolarHBondContact O-N 2.93Å; E537-L539 VanDerWaalsContact C-N 3.32Å; E537-L539 PolarHBondContact O-N 2.93Å; E537-R540 PolarHBondContact O-N 3.31Å; E537-R540 IonicContact OE1-CZ 3.4Å; E537-R540 IonicContact OE1-NH1 3.52Å; E537-R540 PolarHBondContact OE1-NH1 3.44Å; E537-R540 WeakPolarHBondContact OE2-CD 3.38Å; E537-R540 IonicContact OE2-CZ 2.66Å; E537-R540 IonicContact OE2-NE 3.49Å; E537-R540 IonicContact OE2-NH1 2.68Å; E537-R540 PolarHBondContact OE2-NH1 2.86Å; E537-V541 HydrophobicContact CG-CG2 4.32Å; E537-V541 WeakPolarHBondContact O-CB 3.35Å; E537-V541 VanDerWaalsContact O-CG2 3.31Å; E537-V541 WeakPolarHBondContact O-CG2 3.47Å; E537-V541 PolarHBondContact O-N 2.76Å |
| 538 | R | 98.6 | Very high | 98.2 | Very high | 176 Ų | 176 | 98.4 Ų | 98.4 | 66% | 0.664 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59.8 | -40.8 | 172 | -76.1 | 172.8 | -166.6 | -119.2 | 2.6 | 112.5 | N534 A535 R536 R542 | N534-R538 VanDerWaalsContact O-CG 3.27Å; N534-R538 WeakPolarHBondContact O-CG 3.37Å; N534-R538 PolarHBondContact O-N 3.34Å; N534-R538 PolarHBondContact OD1-NE 3.12Å; N534-R538 PolarHBondContact OD1-NH2 3.32Å; A535-R538 PolarHBondContact O-N 2.93Å; R536-R538 PolarHBondContact O-N 3.26Å; R538-R542 WeakPolarHBondContact O-CB 3.49Å; R538-R542 PolarHBondContact O-N 3.15Å |
| 539 | L | 98.6 | Very high | 98.3 | Very high | 90 Ų | 90 | 97.8 Ų | 97.8 | 47% | 0.471 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.3 | -50 | 175.5 | -68.1 | 168.3 | 0 | 0 | 0 | 110.7 | A535 R536 E537 V541 R542 D543 | A535-L539 PolarHBondContact O-N 3.29Å; R536-L539 PolarHBondContact O-N 3.42Å; E537-L539 VanDerWaalsContact C-N 3.32Å; E537-L539 PolarHBondContact O-N 2.93Å; L539-V541 VanDerWaalsContact C-N 3.32Å; L539-V541 PolarHBondContact O-N 3.25Å; L539-R542 WeakPolarHBondContact O-CB 3.27Å; L539-R542 PolarHBondContact O-N 3.06Å; L539-R542 VanDerWaalsContact O-N 3.09Å; L539-D543 PolarHBondContact O-N 3.48Å |
| 540 | R | 98.7 | Very high | 98.3 | Very high | 147 Ų | 147 | 95.2 Ų | 95.2 | 56% | 0.555 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -54.8 | -44.7 | 175.4 | 175 | 172.7 | 167.5 | -119.6 | 1.3 | 112.7 | R536 E537 D543 I544 | R536-R540 PolarHBondContact O-N 3.28Å; E537-R540 PolarHBondContact O-N 3.31Å; E537-R540 IonicContact OE1-CZ 3.4Å; E537-R540 IonicContact OE1-NH1 3.52Å; E537-R540 PolarHBondContact OE1-NH1 3.44Å; E537-R540 WeakPolarHBondContact OE2-CD 3.38Å; E537-R540 IonicContact OE2-CZ 2.66Å; E537-R540 IonicContact OE2-NE 3.49Å; E537-R540 IonicContact OE2-NH1 2.68Å; E537-R540 PolarHBondContact OE2-NH1 2.86Å; R540-D543 PolarHBondContact O-N 3.15Å; R540-I544 HydrophobicContact CG-CD1 4.02Å; R540-I544 WeakPolarHBondContact O-CD1 3.3Å; R540-I544 VanDerWaalsContact O-CG1 3.27Å; R540-I544 WeakPolarHBondContact O-CG1 3.36Å; R540-I544 PolarHBondContact O-N 3.43Å |
| 541 | V | 98.8 | Very high | 98.4 | Very high | 60 Ų | 60 | 90.6 Ų | 90.6 | 36% | 0.364 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.2 | -39.1 | 177.1 | 169.6 | 0 | 0 | 0 | 0 | 111.8 | E537 L539 N545 | E537-V541 HydrophobicContact CG-CG2 4.32Å; E537-V541 WeakPolarHBondContact O-CB 3.35Å; E537-V541 VanDerWaalsContact O-CG2 3.31Å; E537-V541 WeakPolarHBondContact O-CG2 3.47Å; E537-V541 PolarHBondContact O-N 2.76Å; L539-V541 VanDerWaalsContact C-N 3.32Å; L539-V541 PolarHBondContact O-N 3.25Å; V541-N545 WeakPolarHBondContact O-CB 3.48Å; V541-N545 PolarHBondContact O-N 2.96Å; V541-N545 PolarHBondContact O-ND2 2.98Å; V541-N545 VanDerWaalsContact O-ND2 3.12Å; V541-N545 PolarHBondContact O-OD1 3.07Å |
| 542 | R | 98.6 | Very high | 98.5 | Very high | 130 Ų | 130 | 85.4 Ų | 85.4 | 49% | 0.491 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59 | -47.8 | 172.1 | 178.8 | -159 | 68.5 | 170.3 | -1.8 | 110.8 | R538 L539 I544 N545 E546 | R538-R542 WeakPolarHBondContact O-CB 3.49Å; R538-R542 PolarHBondContact O-N 3.15Å; L539-R542 WeakPolarHBondContact O-CB 3.27Å; L539-R542 PolarHBondContact O-N 3.06Å; L539-R542 VanDerWaalsContact O-N 3.09Å; R542-I544 PolarHBondContact O-N 3.24Å; R542-N545 CarbonylContact O-C 3.57Å; R542-N545 WeakPolarHBondContact O-CA 3.35Å; R542-N545 VanDerWaalsContact O-CB 3.3Å; R542-N545 WeakPolarHBondContact O-CB 3.5Å; R542-N545 PolarHBondContact O-N 3.29Å; R542-E546 PolarHBondContact O-N 3.19Å |
| 543 | D | 98.8 | Very high | 98.5 | Very high | 77 Ų | 77 | 90 Ų | 90 | 41% | 0.412 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.4 | -38.6 | -173.9 | -59.6 | -12.7 | 0 | 0 | 0 | 111.1 | L539 R540 N545 E546 A547 | L539-D543 PolarHBondContact O-N 3.48Å; R540-D543 PolarHBondContact O-N 3.15Å; D543-N545 VanDerWaalsContact C-N 3.31Å; D543-N545 PolarHBondContact O-N 2.99Å; D543-E546 PolarHBondContact O-N 2.91Å; D543-A547 PolarHBondContact O-N 3.02Å |
| 544 | I | 98.8 | Very high | 98.5 | Very high | 71 Ų | 71 | 90.1 Ų | 90.1 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.6 | -40.1 | 167.6 | -69.2 | 165.5 | 0 | 0 | 0 | 111.3 | R540 R542 F548 | R540-I544 HydrophobicContact CG-CD1 4.02Å; R540-I544 WeakPolarHBondContact O-CD1 3.3Å; R540-I544 VanDerWaalsContact O-CG1 3.27Å; R540-I544 WeakPolarHBondContact O-CG1 3.36Å; R540-I544 PolarHBondContact O-N 3.43Å; R542-I544 PolarHBondContact O-N 3.24Å; I544-F548 HydrophobicContact CG2-CD2 3.94Å; I544-F548 HydrophobicContact CG2-CE2 4.11Å; I544-F548 WeakPolarHBondContact O-CD2 3.19Å; I544-F548 PolarHBondContact O-N 3.21Å |
| 545 | N | 98.6 | Very high | 98.5 | Very high | 54 Ų | 54 | 86.6 Ų | 86.6 | 29% | 0.289 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.2 | -39.7 | 177.8 | -67.1 | -27.3 | 0 | 0 | 0 | 112.5 | V541 R542 D543 F548 K549 K567 | V541-N545 WeakPolarHBondContact O-CB 3.48Å; V541-N545 PolarHBondContact O-N 2.96Å; V541-N545 PolarHBondContact O-ND2 2.98Å; V541-N545 VanDerWaalsContact O-ND2 3.12Å; V541-N545 PolarHBondContact O-OD1 3.07Å; R542-N545 CarbonylContact O-C 3.57Å; R542-N545 WeakPolarHBondContact O-CA 3.35Å; R542-N545 VanDerWaalsContact O-CB 3.3Å; R542-N545 WeakPolarHBondContact O-CB 3.5Å; R542-N545 PolarHBondContact O-N 3.29Å; D543-N545 VanDerWaalsContact C-N 3.31Å; D543-N545 PolarHBondContact O-N 2.99Å; N545-F548 WeakPolarHBondContact O-CB 3.42Å; N545-F548 PolarHBondContact O-N 3.05Å; N545-K549 WeakPolarHBondContact O-CG 3.35Å; N545-K549 PolarHBondContact O-N 3.48Å; N545-K567 WeakPolarHBondContact OD1-CE 3.31Å; N545-K567 PolarHBondContact OD1-NZ 3.23Å |
| 546 | E | 98.6 | Very high | 98.4 | Very high | 90 Ų | 90 | 87 Ų | 87 | 42% | 0.421 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.2 | -42.7 | 175.6 | -59.7 | -45.6 | 128.3 | 0 | 0 | 111.6 | R542 D543 F548 K549 E550 | R542-E546 PolarHBondContact O-N 3.19Å; D543-E546 PolarHBondContact O-N 2.91Å; E546-F548 VanDerWaalsContact C-N 3.26Å; E546-F548 PolarHBondContact O-N 3.38Å; E546-K549 WeakPolarHBondContact O-CB 3.49Å; E546-K549 PolarHBondContact O-N 3Å; E546-K549 WeakPolarHBondContact OE1-CE 3.48Å; E546-K549 IonicContact OE1-NZ 2.67Å; E546-K549 PolarHBondContact OE1-NZ 3.49Å; E546-K549 WeakPolarHBondContact OE2-CD 3.47Å; E546-K549 WeakPolarHBondContact OE2-CE 3.4Å; E546-K549 IonicContact OE2-NZ 3.36Å; E546-K549 PolarHBondContact OE2-NZ 3.12Å; E546-E550 PolarHBondContact O-N 2.85Å |
| 547 | A | 98.6 | Very high | 98.3 | Very high | 60 Ų | 60 | 84.5 Ų | 84.5 | 50% | 0.496 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.3 | -38.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | D543 E550 L551 | D543-A547 PolarHBondContact O-N 3.02Å; A547-E550 PolarHBondContact O-N 2.99Å; A547-L551 WeakPolarHBondContact O-CB 3.2Å; A547-L551 PolarHBondContact O-N 2.84Å |
| 548 | F | 98.7 | Very high | 98.2 | Very high | 41 Ų | 41 | 85.7 Ų | 85.7 | 18% | 0.18 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.8 | -36.5 | 172.5 | -97.9 | -70.7 | 0 | 0 | 0 | 113.4 | I544 N545 E546 G552 K567 I570 L571 | I544-F548 HydrophobicContact CG2-CD2 3.94Å; I544-F548 HydrophobicContact CG2-CE2 4.11Å; I544-F548 WeakPolarHBondContact O-CD2 3.19Å; I544-F548 PolarHBondContact O-N 3.21Å; N545-F548 WeakPolarHBondContact O-CB 3.42Å; N545-F548 PolarHBondContact O-N 3.05Å; E546-F548 VanDerWaalsContact C-N 3.26Å; E546-F548 PolarHBondContact O-N 3.38Å; F548-G552 PolarHBondContact O-N 2.99Å; F548-K567 HydrophobicContact CD1-CB 4.03Å; F548-K567 HydrophobicContact CD1-CG 3.91Å; F548-K567 HydrophobicContact CD2-CD 3.88Å; F548-K567 HydrophobicContact CD2-CG 4.11Å; F548-K567 HydrophobicContact CE1-CB 3.73Å; F548-K567 HydrophobicContact CE1-CG 4.06Å; F548-K567 WeakPolarHBondContact CE1-O 3.34Å; F548-K567 HydrophobicContact CE2-CB 4.46Å; F548-K567 HydrophobicContact CE2-CD 3.89Å; F548-K567 HydrophobicContact CE2-CG 4.26Å; F548-K567 HydrophobicContact CG-CD 4.22Å; F548-K567 HydrophobicContact CG-CG 3.94Å; F548-K567 HydrophobicContact CZ-CB 3.97Å; F548-K567 HydrophobicContact CZ-CD 4.23Å; F548-K567 HydrophobicContact CZ-CG 4.23Å; F548-I570 HydrophobicContact CD1-CB 4.26Å; F548-I570 HydrophobicContact CD1-CD1 4.1Å; F548-I570 HydrophobicContact CD1-CG2 4.2Å; F548-I570 HydrophobicContact CE1-CB 4.43Å; F548-I570 WeakPolarHBondContact O-CD1 3.35Å; F548-L571 HydrophobicContact CE1-CD2 3.91Å; F548-L571 HydrophobicContact CE1-CG 3.94Å; F548-L571 HydrophobicContact CZ-CD1 4.26Å; F548-L571 HydrophobicContact CZ-CD2 4.03Å; F548-L571 HydrophobicContact CZ-CG 4.14Å |
| 549 | K | 98.1 | Very high | 98.1 | Very high | 118 Ų | 118 | 80.6 Ų | 80.6 | 51% | 0.513 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.9 | -41.1 | 175.8 | -66.5 | 175.9 | -160.8 | 165.1 | 0 | 112.2 | N545 E546 G552 R553 | N545-K549 WeakPolarHBondContact O-CG 3.35Å; N545-K549 PolarHBondContact O-N 3.48Å; E546-K549 WeakPolarHBondContact O-CB 3.49Å; E546-K549 PolarHBondContact O-N 3Å; E546-K549 WeakPolarHBondContact OE1-CE 3.48Å; E546-K549 IonicContact OE1-NZ 2.67Å; E546-K549 PolarHBondContact OE1-NZ 3.49Å; E546-K549 WeakPolarHBondContact OE2-CD 3.47Å; E546-K549 WeakPolarHBondContact OE2-CE 3.4Å; E546-K549 IonicContact OE2-NZ 3.36Å; E546-K549 PolarHBondContact OE2-NZ 3.12Å; K549-G552 PolarHBondContact O-N 3.13Å; K549-R553 PolarHBondContact O-N 3.37Å |
| 550 | E | 98.4 | Very high | 97.9 | Very high | 88 Ų | 88 | 85.3 Ų | 85.3 | 41% | 0.411 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.3 | -52.8 | 176.2 | -173.4 | 60.2 | -111.5 | 0 | 0 | 110.5 | E546 A547 G552 R553 M554 | E546-E550 PolarHBondContact O-N 2.85Å; A547-E550 PolarHBondContact O-N 2.99Å; E550-G552 VanDerWaalsContact C-N 3.29Å; E550-G552 PolarHBondContact O-N 3.29Å; E550-R553 VanDerWaalsContact CD-NH1 3.34Å; E550-R553 PolarHBondContact O-N 2.75Å; E550-R553 VanDerWaalsContact O-N 3.16Å; E550-R553 IonicContact OE1-CZ 3.1Å; E550-R553 IonicContact OE1-NH1 2.74Å; E550-R553 PolarHBondContact OE1-NH1 3.01Å; E550-R553 IonicContact OE1-NH2 2.83Å; E550-R553 IonicContact OE2-CZ 3.84Å; E550-R553 IonicContact OE2-NH1 3.32Å; E550-R553 PolarHBondContact OE2-NH1 3.24Å; E550-R553 IonicContact OE2-NH2 3.71Å; E550-R553 PolarHBondContact OE2-NH2 3.05Å; E550-M554 WeakPolarHBondContact O-CG 3.45Å; E550-M554 PolarHBondContact O-N 3.24Å |
| 551 | L | 98.6 | Very high | 97.6 | Very high | 60 Ų | 60 | 79.3 Ų | 79.3 | 31% | 0.314 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.2 | -41.6 | 176.6 | -177.2 | 62.2 | 0 | 0 | 0 | 111.8 | A547 M554 V555 I570 A574 | A547-L551 WeakPolarHBondContact O-CB 3.2Å; A547-L551 PolarHBondContact O-N 2.84Å; L551-M554 PolarHBondContact O-N 2.91Å; L551-V555 HydrophobicContact CD1-CG2 4.14Å; L551-V555 HydrophobicContact CG-CG2 4.38Å; L551-V555 VanDerWaalsContact O-CB 3.32Å; L551-V555 WeakPolarHBondContact O-CB 3.5Å; L551-V555 WeakPolarHBondContact O-CG2 3.37Å; L551-V555 PolarHBondContact O-N 2.81Å; L551-I570 HydrophobicContact CB-CG2 4.1Å; L551-I570 HydrophobicContact CD2-CG2 3.76Å; L551-I570 HydrophobicContact CG-CG2 3.63Å; L551-A574 HydrophobicContact CD1-CB 4.16Å; L551-A574 HydrophobicContact CD2-CB 4.38Å; L551-A574 HydrophobicContact CG-CB 4.46Å |
| 552 | G | 98.2 | Very high | 97.3 | Very high | 2 Ų | 2 | 83 Ų | 83 | 2% | 0.021 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -55.8 | -51.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F548 K549 E550 V555 Q556 Q565 | F548-G552 PolarHBondContact O-N 2.99Å; K549-G552 PolarHBondContact O-N 3.13Å; E550-G552 VanDerWaalsContact C-N 3.29Å; E550-G552 PolarHBondContact O-N 3.29Å; G552-V555 PolarHBondContact O-N 3.3Å; G552-Q556 VanDerWaalsContact O-CB 3.29Å; G552-Q556 WeakPolarHBondContact O-CB 3.5Å; G552-Q556 PolarHBondContact O-N 2.9Å; G552-Q565 VanDerWaalsContact C-OE1 3.29Å; G552-Q565 PolarHBondContact O-NE2 3.48Å; G552-Q565 PolarHBondContact O-OE1 3.43Å |
| 553 | R | 97.9 | Very high | 97 | Very high | 138 Ų | 138 | 83.6 Ų | 83.6 | 52% | 0.521 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 175.9 | -81.9 | -163.3 | -78 | 86.3 | 0.3 | 113 | K549 E550 V555 Q556 L557 | K549-R553 PolarHBondContact O-N 3.37Å; E550-R553 VanDerWaalsContact CD-NH1 3.34Å; E550-R553 PolarHBondContact O-N 2.75Å; E550-R553 VanDerWaalsContact O-N 3.16Å; E550-R553 IonicContact OE1-CZ 3.1Å; E550-R553 IonicContact OE1-NH1 2.74Å; E550-R553 PolarHBondContact OE1-NH1 3.01Å; E550-R553 IonicContact OE1-NH2 2.83Å; E550-R553 IonicContact OE2-CZ 3.84Å; E550-R553 IonicContact OE2-NH1 3.32Å; E550-R553 PolarHBondContact OE2-NH1 3.24Å; E550-R553 IonicContact OE2-NH2 3.71Å; E550-R553 PolarHBondContact OE2-NH2 3.05Å; R553-V555 VanDerWaalsContact C-N 3.31Å; R553-V555 PolarHBondContact O-N 2.91Å; R553-Q556 PolarHBondContact O-N 3.17Å; R553-L557 WeakPolarHBondContact O-CB 3.43Å; R553-L557 PolarHBondContact O-N 3.21Å |
| 554 | M | 97.9 | Very high | 96.8 | Very high | 102 Ų | 102 | 86 Ų | 86 | 50% | 0.502 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 177.3 | -68.9 | -175.7 | 72 | 0 | 0 | 111.6 | E550 L551 L557 H558 | E550-M554 WeakPolarHBondContact O-CG 3.45Å; E550-M554 PolarHBondContact O-N 3.24Å; L551-M554 PolarHBondContact O-N 2.91Å; M554-L557 PolarHBondContact O-N 2.9Å; M554-H558 PolarHBondContact O-CD2 3.33Å; M554-H558 VanDerWaalsContact O-CD2 3.27Å; M554-H558 PolarHBondContact O-N 2.99Å; M554-H558 VanDerWaalsContact O-N 3.16Å |
| 555 | V | 98.1 | Very high | 96.6 | Very high | 4 Ų | 4 | 84.8 Ų | 84.8 | 2% | 0.024 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68.7 | -42.8 | 179.1 | 168.2 | 0 | 0 | 0 | 0 | 111.9 | L551 G552 R553 L557 H558 L559 Q573 A574 V577 | L551-V555 HydrophobicContact CD1-CG2 4.14Å; L551-V555 HydrophobicContact CG-CG2 4.38Å; L551-V555 VanDerWaalsContact O-CB 3.32Å; L551-V555 WeakPolarHBondContact O-CB 3.5Å; L551-V555 WeakPolarHBondContact O-CG2 3.37Å; L551-V555 PolarHBondContact O-N 2.81Å; G552-V555 PolarHBondContact O-N 3.3Å; R553-V555 VanDerWaalsContact C-N 3.31Å; R553-V555 PolarHBondContact O-N 2.91Å; V555-L557 VanDerWaalsContact C-N 3.32Å; V555-L557 PolarHBondContact O-N 3.07Å; V555-H558 PolarHBondContact O-N 3.37Å; V555-L559 HydrophobicContact CG1-CD1 3.95Å; V555-L559 HydrophobicContact CG1-CG 4.5Å; V555-L559 WeakPolarHBondContact O-CB 3.36Å; V555-L559 WeakPolarHBondContact O-CG 3.38Å; V555-L559 PolarHBondContact O-N 2.92Å; V555-Q573 HydrophobicContact CG1-CB 3.32Å; V555-Q573 HydrophobicContact CG1-CG 4.42Å; V555-A574 HydrophobicContact CG2-CB 3.78Å; V555-V577 HydrophobicContact CG1-CG2 4.35Å |
| 556 | Q | 97.3 | Very high | 96.6 | Very high | 60 Ų | 60 | 86.5 Ų | 86.5 | 28% | 0.28 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 175.4 | 176.1 | 174.2 | -4.7 | 0 | 0 | 111.6 | G552 R553 L559 K560 S561 D562 | G552-Q556 VanDerWaalsContact O-CB 3.29Å; G552-Q556 WeakPolarHBondContact O-CB 3.5Å; G552-Q556 PolarHBondContact O-N 2.9Å; R553-Q556 PolarHBondContact O-N 3.17Å; Q556-L559 PolarHBondContact O-N 2.91Å; Q556-K560 WeakPolarHBondContact O-CA 3.46Å; Q556-K560 PolarHBondContact O-N 3.38Å; Q556-S561 PolarHBondContact O-N 3.28Å; Q556-D562 PolarHBondContact NE2-OD1 3.31Å |
| 557 | L | 96.7 | Very high | 96.6 | Very high | 134 Ų | 134 | 86.7 Ų | 86.7 | 70% | 0.702 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -61.8 | -47.6 | 175.9 | -179.4 | 65.6 | 0 | 0 | 0 | 111.9 | R553 M554 V555 | R553-L557 WeakPolarHBondContact O-CB 3.43Å; R553-L557 PolarHBondContact O-N 3.21Å; M554-L557 PolarHBondContact O-N 2.9Å; V555-L557 VanDerWaalsContact C-N 3.32Å; V555-L557 PolarHBondContact O-N 3.07Å |
| 558 | H | 96.8 | Very high | 96.6 | Very high | 97 Ų | 97 | 89.1 Ų | 89.1 | 45% | 0.449 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.2 | -34.6 | 179.2 | -81.2 | -66.9 | 0 | 0 | 0 | 113.5 | M554 V555 V577 | M554-H558 PolarHBondContact O-CD2 3.33Å; M554-H558 VanDerWaalsContact O-CD2 3.27Å; M554-H558 PolarHBondContact O-N 2.99Å; M554-H558 VanDerWaalsContact O-N 3.16Å; V555-H558 PolarHBondContact O-N 3.37Å; H558-V577 HydrophobicContact CB-CB 4.44Å; H558-V577 HydrophobicContact CB-CG1 3.63Å; H558-V577 HydrophobicContact CB-CG2 3.85Å |
| 559 | L | 95.8 | Very high | 96.5 | Very high | 70 Ų | 70 | 90 Ų | 90 | 37% | 0.366 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -88.9 | -6.7 | 179.1 | -64.9 | -178 | 0 | 0 | 0 | 114.4 | V555 Q556 S561 Q573 V577 | V555-L559 HydrophobicContact CG1-CD1 3.95Å; V555-L559 HydrophobicContact CG1-CG 4.5Å; V555-L559 WeakPolarHBondContact O-CB 3.36Å; V555-L559 WeakPolarHBondContact O-CG 3.38Å; V555-L559 PolarHBondContact O-N 2.92Å; Q556-L559 PolarHBondContact O-N 2.91Å; L559-S561 VanDerWaalsContact C-N 3.26Å; L559-S561 PolarHBondContact O-N 3.45Å; L559-Q573 HydrophobicContact CD1-CB 3.67Å; L559-Q573 HydrophobicContact CD1-CG 3.72Å; L559-V577 HydrophobicContact CD1-CG2 4.14Å; L559-V577 HydrophobicContact CD2-CG2 3.67Å; L559-V577 HydrophobicContact CG-CG2 3.6Å |
| 560 | K | 95.1 | Very high | 96.5 | Very high | 188 Ų | 188 | 85 Ų | 85 | 82% | 0.817 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 45.6 | -177.4 | -55.5 | 180 | -178.8 | -178.8 | 0 | 112.2 | Q556 | Q556-K560 WeakPolarHBondContact O-CA 3.46Å; Q556-K560 PolarHBondContact O-N 3.38Å |
| 561 | S | 92.1 | Very high | 96.5 | Very high | 22 Ų | 22 | 85 Ų | 85 | 15% | 0.154 | 43% | 0.425 | C | S | . | . | | | trans | -136.9 | 92.5 | -163.1 | 164.5 | 0 | 0 | 0 | 0 | 112.3 | Q556 L559 K563 | Q556-S561 PolarHBondContact O-N 3.28Å; L559-S561 VanDerWaalsContact C-N 3.26Å; L559-S561 PolarHBondContact O-N 3.45Å; S561-K563 PolarHBondContact O-N 2.88Å |
| 562 | D | 92.8 | Very high | 96.5 | Very high | 137 Ų | 137 | 88 Ų | 88 | 73% | 0.733 | 44% | 0.437 | S | S | * | . | | | trans | -74.5 | 34.5 | -179.8 | -50.9 | -55.4 | 0 | 0 | 0 | 114.5 | Q556 | Q556-D562 PolarHBondContact NE2-OD1 3.31Š|
| 563 | K | 92.3 | Very high | 96.5 | Very high | 142 Ų | 142 | 89.2 Ų | 89.2 | 62% | 0.617 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -79.3 | 137.6 | 175.3 | -66.1 | 176.2 | -177.6 | 173.1 | 0 | 109.1 | S561 Q565 | S561-K563 PolarHBondContact O-N 2.88Å; K563-Q565 WeakPolarHBondContact O-CG 3.27Å; K563-Q565 PolarHBondContact O-N 3.43Å |
| 564 | P | 93.4 | Very high | 96.5 | Very high | 127 Ų | 127 | 83.1 Ų | 83.1 | 83% | 0.825 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 125.4 | 176.9 | 25.7 | -34.1 | 0 | 0 | 0 | 110.4 | | |
| 565 | Q | 95.1 | Very high | 96.5 | Very high | 46 Ų | 46 | 82.3 Ų | 82.3 | 22% | 0.215 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -99.9 | 130.4 | -175.1 | -58.6 | 173.6 | -46.8 | 0 | 0 | 111.9 | G552 K563 I570 | G552-Q565 VanDerWaalsContact C-OE1 3.29Å; G552-Q565 PolarHBondContact O-NE2 3.48Å; G552-Q565 PolarHBondContact O-OE1 3.43Å; K563-Q565 WeakPolarHBondContact O-CG 3.27Å; K563-Q565 PolarHBondContact O-N 3.43Å; Q565-I570 HydrophobicContact CB-CD1 4.05Å; Q565-I570 HydrophobicContact CB-CG1 3.57Å; Q565-I570 HydrophobicContact CG-CG1 4.27Å |
| 566 | T | 98.2 | Very high | 96.5 | Very high | 90 Ų | 90 | 84.7 Ų | 84.7 | 55% | 0.552 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -87.6 | 157.8 | 162.8 | 67.4 | 0 | 0 | 0 | 0 | 109.6 | L568 L569 I570 | T566-L568 PolarHBondContact O-N 2.69Å; T566-L568 VanDerWaalsContact O-N 3.15Å; T566-L569 WeakPolarHBondContact O-CA 3.47Å; T566-L569 WeakPolarHBondContact O-CB 3.46Å; T566-L569 PolarHBondContact O-N 3.38Å; T566-L569 PolarHBondContact OG1-N 3.44Å; T566-I570 WeakPolarHBondContact O-CG1 3.33Å; T566-I570 PolarHBondContact O-N 2.98Å |
| 567 | K | 98.5 | Very high | 96.5 | Very high | 94 Ų | 94 | 82.4 Ų | 82.4 | 41% | 0.409 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -48.9 | -44.1 | 177.4 | -70.1 | -172.7 | 175.3 | -174.6 | 0 | 113.1 | N545 F548 I570 L571 | N545-K567 WeakPolarHBondContact OD1-CE 3.31Å; N545-K567 PolarHBondContact OD1-NZ 3.23Å; F548-K567 HydrophobicContact CD1-CB 4.03Å; F548-K567 HydrophobicContact CD1-CG 3.91Å; F548-K567 HydrophobicContact CD2-CD 3.88Å; F548-K567 HydrophobicContact CD2-CG 4.11Å; F548-K567 HydrophobicContact CE1-CB 3.73Å; F548-K567 HydrophobicContact CE1-CG 4.06Å; F548-K567 WeakPolarHBondContact CE1-O 3.34Å; F548-K567 HydrophobicContact CE2-CB 4.46Å; F548-K567 HydrophobicContact CE2-CD 3.89Å; F548-K567 HydrophobicContact CE2-CG 4.26Å; F548-K567 HydrophobicContact CG-CD 4.22Å; F548-K567 HydrophobicContact CG-CG 3.94Å; F548-K567 HydrophobicContact CZ-CB 3.97Å; F548-K567 HydrophobicContact CZ-CD 4.23Å; F548-K567 HydrophobicContact CZ-CG 4.23Å; K567-I570 PolarHBondContact O-N 2.89Å; K567-L571 WeakPolarHBondContact O-CG 3.36Å; K567-L571 PolarHBondContact O-N 2.94Å; K567-L571 VanDerWaalsContact O-N 3.15Å |
| 568 | L | 98.1 | Very high | 96.6 | Very high | 111 Ų | 111 | 80.4 Ų | 80.4 | 58% | 0.581 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.5 | -41.8 | 177.8 | -177.9 | 61.1 | 0 | 0 | 0 | 112 | T566 L571 H572 | T566-L568 PolarHBondContact O-N 2.69Å; T566-L568 VanDerWaalsContact O-N 3.15Å; L568-L571 PolarHBondContact O-N 2.96Å; L568-H572 WeakPolarHBondContact CD1-NE2 3.4Å; L568-H572 PolarHBondContact O-CD2 3.17Å; L568-H572 PolarHBondContact O-N 2.83Å; L568-H572 VanDerWaalsContact O-N 3.12Å |
| 569 | L | 97.6 | Very high | 96.7 | Very high | 61 Ų | 61 | 80.3 Ų | 80.3 | 32% | 0.319 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66 | -38.1 | 176.6 | -173.3 | 59.1 | 0 | 0 | 0 | 111.9 | T566 L571 H572 Q573 | T566-L569 WeakPolarHBondContact O-CA 3.47Å; T566-L569 WeakPolarHBondContact O-CB 3.46Å; T566-L569 PolarHBondContact O-N 3.38Å; T566-L569 PolarHBondContact OG1-N 3.44Å; L569-L571 VanDerWaalsContact C-N 3.34Å; L569-L571 PolarHBondContact O-N 3.11Å; L569-H572 PolarHBondContact O-N 3.32Å; L569-Q573 HydrophobicContact CD1-CG 3.97Å; L569-Q573 HydrophobicContact CG-CG 4.19Å; L569-Q573 VanDerWaalsContact O-CB 3.25Å; L569-Q573 WeakPolarHBondContact O-CB 2.8Å; L569-Q573 VanDerWaalsContact O-CG 3.27Å; L569-Q573 WeakPolarHBondContact O-CG 3.36Å; L569-Q573 PolarHBondContact O-N 2.74Å |
| 570 | I | 98.3 | Very high | 96.7 | Very high | 12 Ų | 12 | 79.7 Ų | 79.7 | 6% | 0.062 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -58.5 | -45.6 | 174.1 | -61.9 | 173.6 | 0 | 0 | 0 | 110.3 | F548 L551 Q565 T566 K567 Q573 A574 | F548-I570 HydrophobicContact CD1-CB 4.26Å; F548-I570 HydrophobicContact CD1-CD1 4.1Å; F548-I570 HydrophobicContact CD1-CG2 4.2Å; F548-I570 HydrophobicContact CE1-CB 4.43Å; F548-I570 WeakPolarHBondContact O-CD1 3.35Å; L551-I570 HydrophobicContact CB-CG2 4.1Å; L551-I570 HydrophobicContact CD2-CG2 3.76Å; L551-I570 HydrophobicContact CG-CG2 3.63Å; Q565-I570 HydrophobicContact CB-CD1 4.05Å; Q565-I570 HydrophobicContact CB-CG1 3.57Å; Q565-I570 HydrophobicContact CG-CG1 4.27Å; T566-I570 WeakPolarHBondContact O-CG1 3.33Å; T566-I570 PolarHBondContact O-N 2.98Å; K567-I570 PolarHBondContact O-N 2.89Å; I570-Q573 PolarHBondContact O-N 3.48Å; I570-A574 VanDerWaalsContact O-CB 3.22Å; I570-A574 WeakPolarHBondContact O-CB 3.4Å; I570-A574 PolarHBondContact O-N 3.2Å |
| 571 | L | 98.5 | Very high | 96.8 | Very high | 87 Ų | 87 | 73.5 Ų | 73.5 | 46% | 0.455 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.1 | -49 | 178.5 | -64.6 | 178.1 | 0 | 0 | 0 | 112.4 | F548 K567 L568 L569 Q573 A574 V575 | F548-L571 HydrophobicContact CE1-CD2 3.91Å; F548-L571 HydrophobicContact CE1-CG 3.94Å; F548-L571 HydrophobicContact CZ-CD1 4.26Å; F548-L571 HydrophobicContact CZ-CD2 4.03Å; F548-L571 HydrophobicContact CZ-CG 4.14Å; K567-L571 WeakPolarHBondContact O-CG 3.36Å; K567-L571 PolarHBondContact O-N 2.94Å; K567-L571 VanDerWaalsContact O-N 3.15Å; L568-L571 PolarHBondContact O-N 2.96Å; L569-L571 VanDerWaalsContact C-N 3.34Å; L569-L571 PolarHBondContact O-N 3.11Å; L571-Q573 VanDerWaalsContact C-N 3.34Å; L571-Q573 PolarHBondContact O-N 2.83Å; L571-A574 PolarHBondContact O-N 3.49Å; L571-V575 WeakPolarHBondContact O-CG2 3.44Å; L571-V575 PolarHBondContact O-N 3.3Å; L571-V575 VanDerWaalsContact O-N 3.16Å |
| 572 | H | 97.8 | Very high | 97 | Very high | 125 Ų | 125 | 76.8 Ų | 76.8 | 58% | 0.579 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62 | -41.4 | 178.1 | -72.3 | -60.9 | 0 | 0 | 0 | 112.5 | L568 L569 A576 | L568-H572 WeakPolarHBondContact CD1-NE2 3.4Å; L568-H572 PolarHBondContact O-CD2 3.17Å; L568-H572 PolarHBondContact O-N 2.83Å; L568-H572 VanDerWaalsContact O-N 3.12Å; L569-H572 PolarHBondContact O-N 3.32Å; H572-A576 PolarHBondContact O-N 3.1Å |
| 573 | Q | 97.7 | Very high | 97.1 | Very high | 26 Ų | 26 | 75.3 Ų | 75.3 | 12% | 0.121 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -70.7 | -35.6 | 178.1 | -73.5 | -178.8 | -12.6 | 0 | 0 | 112.3 | V555 L559 L569 I570 L571 A576 V577 | V555-Q573 HydrophobicContact CG1-CB 3.32Å; V555-Q573 HydrophobicContact CG1-CG 4.42Å; L559-Q573 HydrophobicContact CD1-CB 3.67Å; L559-Q573 HydrophobicContact CD1-CG 3.72Å; L569-Q573 HydrophobicContact CD1-CG 3.97Å; L569-Q573 HydrophobicContact CG-CG 4.19Å; L569-Q573 VanDerWaalsContact O-CB 3.25Å; L569-Q573 WeakPolarHBondContact O-CB 2.8Å; L569-Q573 VanDerWaalsContact O-CG 3.27Å; L569-Q573 WeakPolarHBondContact O-CG 3.36Å; L569-Q573 PolarHBondContact O-N 2.74Å; I570-Q573 PolarHBondContact O-N 3.48Å; L571-Q573 VanDerWaalsContact C-N 3.34Å; L571-Q573 PolarHBondContact O-N 2.83Å; Q573-A576 PolarHBondContact O-N 3.44Å; Q573-V577 WeakPolarHBondContact O-CG2 3.41Å; Q573-V577 PolarHBondContact O-N 3.4Å |
| 574 | A | 98.5 | Very high | 97.2 | Very high | 10 Ų | 10 | 71.4 Ų | 71.4 | 8% | 0.083 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L551 V555 I570 L571 A576 V577 I578 | L551-A574 HydrophobicContact CD1-CB 4.16Å; L551-A574 HydrophobicContact CD2-CB 4.38Å; L551-A574 HydrophobicContact CG-CB 4.46Å; V555-A574 HydrophobicContact CG2-CB 3.78Å; I570-A574 VanDerWaalsContact O-CB 3.22Å; I570-A574 WeakPolarHBondContact O-CB 3.4Å; I570-A574 PolarHBondContact O-N 3.2Å; L571-A574 PolarHBondContact O-N 3.49Å; A574-A576 VanDerWaalsContact C-N 3.34Å; A574-A576 PolarHBondContact O-N 3.46Å; A574-V577 PolarHBondContact O-N 2.73Å; A574-I578 VanDerWaalsContact O-CG1 3.29Å; A574-I578 WeakPolarHBondContact O-CG1 3.47Å; A574-I578 PolarHBondContact O-N 3.41Å |
| 575 | V | 98.4 | Very high | 97.3 | Very high | 85 Ų | 85 | 69 Ų | 69 | 52% | 0.515 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 175.6 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | L571 V577 I578 L579 | L571-V575 WeakPolarHBondContact O-CG2 3.44Å; L571-V575 PolarHBondContact O-N 3.3Å; L571-V575 VanDerWaalsContact O-N 3.16Å; V575-V577 PolarHBondContact O-N 3.03Å; V575-I578 PolarHBondContact O-N 3.45Å; V575-L579 HydrophobicContact CG1-CD1 3.84Å; V575-L579 HydrophobicContact CG1-CG 4.4Å; V575-L579 VanDerWaalsContact O-CG 3.31Å; V575-L579 WeakPolarHBondContact O-CG 3.36Å; V575-L579 PolarHBondContact O-N 3.19Å |
| 576 | A | 97.4 | Very high | 97.1 | Very high | 55 Ų | 55 | 74.1 Ų | 74.1 | 46% | 0.455 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.7 | -40 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | H572 Q573 A574 S580 | H572-A576 PolarHBondContact O-N 3.1Å; Q573-A576 PolarHBondContact O-N 3.44Å; A574-A576 VanDerWaalsContact C-N 3.34Å; A574-A576 PolarHBondContact O-N 3.46Å; A576-S580 WeakPolarHBondContact O-CB 3.47Å; A576-S580 PolarHBondContact O-N 2.56Å; A576-S580 VanDerWaalsContact O-N 3.12Å |
| 577 | V | 98.3 | Very high | 96.7 | Very high | 12 Ų | 12 | 74.8 Ų | 74.8 | 7% | 0.073 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.5 | -48.5 | 174.7 | 167.9 | 0 | 0 | 0 | 0 | 111 | V555 H558 L559 Q573 A574 V575 S580 L581 | V555-V577 HydrophobicContact CG1-CG2 4.35Å; H558-V577 HydrophobicContact CB-CB 4.44Å; H558-V577 HydrophobicContact CB-CG1 3.63Å; H558-V577 HydrophobicContact CB-CG2 3.85Å; L559-V577 HydrophobicContact CD1-CG2 4.14Å; L559-V577 HydrophobicContact CD2-CG2 3.67Å; L559-V577 HydrophobicContact CG-CG2 3.6Å; Q573-V577 WeakPolarHBondContact O-CG2 3.41Å; Q573-V577 PolarHBondContact O-N 3.4Å; A574-V577 PolarHBondContact O-N 2.73Å; V575-V577 PolarHBondContact O-N 3.03Å; V577-S580 PolarHBondContact O-N 3.39Å; V577-L581 HydrophobicContact CG1-CD1 3.71Å; V577-L581 HydrophobicContact CG1-CG 4.33Å; V577-L581 WeakPolarHBondContact O-CB 3.31Å; V577-L581 VanDerWaalsContact O-CG 3.31Å; V577-L581 WeakPolarHBondContact O-CG 3.04Å; V577-L581 PolarHBondContact O-N 3.02Å |
| 578 | I | 98.3 | Very high | 96.1 | Very high | 91 Ų | 91 | 77 Ų | 77 | 47% | 0.467 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.9 | -52.4 | 179.9 | -69.4 | 164.5 | 0 | 0 | 0 | 110.3 | A574 V575 S580 L581 E582 | A574-I578 VanDerWaalsContact O-CG1 3.29Å; A574-I578 WeakPolarHBondContact O-CG1 3.47Å; A574-I578 PolarHBondContact O-N 3.41Å; V575-I578 PolarHBondContact O-N 3.45Å; I578-S580 VanDerWaalsContact C-N 3.31Å; I578-S580 PolarHBondContact O-N 3.35Å; I578-L581 PolarHBondContact O-N 3.25Å; I578-L581 VanDerWaalsContact O-N 3.14Å; I578-E582 HydrophobicContact CG2-CG 4.19Å; I578-E582 WeakPolarHBondContact O-CB 3.28Å; I578-E582 WeakPolarHBondContact O-CG 3.28Å; I578-E582 PolarHBondContact O-N 2.81Å |
| 579 | L | 97.8 | Very high | 95.2 | Very high | 95 Ų | 95 | 77.6 Ų | 77.6 | 50% | 0.497 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.4 | -39.9 | -179.6 | -68.9 | 171.2 | 0 | 0 | 0 | 112.5 | V575 Q583 | V575-L579 HydrophobicContact CG1-CD1 3.84Å; V575-L579 HydrophobicContact CG1-CG 4.4Å; V575-L579 VanDerWaalsContact O-CG 3.31Å; V575-L579 WeakPolarHBondContact O-CG 3.36Å; V575-L579 PolarHBondContact O-N 3.19Å; L579-Q583 WeakPolarHBondContact O-CB 3.5Å; L579-Q583 PolarHBondContact O-N 3.05Å |
| 580 | S | 96.9 | Very high | 94.3 | Very high | 58 Ų | 58 | 82.1 Ų | 82.1 | 41% | 0.406 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66 | -42.8 | 175.7 | -174.4 | 0 | 0 | 0 | 0 | 112.5 | A576 V577 I578 Q583 Q584 | A576-S580 WeakPolarHBondContact O-CB 3.47Å; A576-S580 PolarHBondContact O-N 2.56Å; A576-S580 VanDerWaalsContact O-N 3.12Å; V577-S580 PolarHBondContact O-N 3.39Å; I578-S580 VanDerWaalsContact C-N 3.31Å; I578-S580 PolarHBondContact O-N 3.35Å; S580-Q583 PolarHBondContact O-N 3.16Å; S580-Q584 WeakPolarHBondContact O-CG 3.37Å; S580-Q584 PolarHBondContact O-N 2.84Å; S580-Q584 PolarHBondContact OG-NE2 3.07Å |
| 581 | L | 96.7 | Very high | 92.7 | Very high | 57 Ų | 57 | 85.7 Ų | 85.7 | 30% | 0.298 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.9 | -42.3 | 177.9 | -69.1 | 173.5 | 0 | 0 | 0 | 111.5 | V577 I578 Q583 Q584 V585 | V577-L581 HydrophobicContact CG1-CD1 3.71Å; V577-L581 HydrophobicContact CG1-CG 4.33Å; V577-L581 WeakPolarHBondContact O-CB 3.31Å; V577-L581 VanDerWaalsContact O-CG 3.31Å; V577-L581 WeakPolarHBondContact O-CG 3.04Å; V577-L581 PolarHBondContact O-N 3.02Å; I578-L581 PolarHBondContact O-N 3.25Å; I578-L581 VanDerWaalsContact O-N 3.14Å; L581-Q583 VanDerWaalsContact C-N 3.31Å; L581-Q583 PolarHBondContact O-N 2.66Å; L581-Q584 PolarHBondContact O-N 2.61Å; L581-V585 WeakPolarHBondContact O-CB 3.38Å; L581-V585 VanDerWaalsContact O-CG2 3.27Å; L581-V585 WeakPolarHBondContact O-CG2 3.35Å; L581-V585 PolarHBondContact O-N 3.06Å |
| 582 | E | 96.4 | Very high | 91 | Very high | 92 Ų | 92 | 85.7 Ų | 85.7 | 43% | 0.43 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.1 | -37.7 | 174 | -73 | -179.7 | 177 | 0 | 0 | 112.7 | I578 R586 | I578-E582 HydrophobicContact CG2-CG 4.19Å; I578-E582 WeakPolarHBondContact O-CB 3.28Å; I578-E582 WeakPolarHBondContact O-CG 3.28Å; I578-E582 PolarHBondContact O-N 2.81Å; E582-R586 VanDerWaalsContact CB-NH2 3.34Å; E582-R586 WeakPolarHBondContact O-CB 3.1Å; E582-R586 WeakPolarHBondContact O-CG 3.39Å; E582-R586 PolarHBondContact O-N 3.24Å; E582-R586 PolarHBondContact O-NE 3.38Å; E582-R586 IonicContact OE2-NH2 3.45Å; E582-R586 PolarHBondContact OE2-NH2 2.91Å; E582-R586 VanDerWaalsContact OE2-NH2 3.12Å |
| 583 | Q | 95.5 | Very high | 89.2 | Confident | 106 Ų | 106 | 88 Ų | 88 | 50% | 0.495 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.4 | -50.8 | 174.1 | 177.7 | 173.3 | -9 | 0 | 0 | 110.3 | L579 S580 L581 V585 R586 E587 | L579-Q583 WeakPolarHBondContact O-CB 3.5Å; L579-Q583 PolarHBondContact O-N 3.05Å; S580-Q583 PolarHBondContact O-N 3.16Å; L581-Q583 VanDerWaalsContact C-N 3.31Å; L581-Q583 PolarHBondContact O-N 2.66Å; Q583-V585 VanDerWaalsContact C-N 3.27Å; Q583-V585 PolarHBondContact O-N 2.98Å; Q583-R586 WeakPolarHBondContact O-CB 3.23Å; Q583-R586 PolarHBondContact O-N 3.3Å; Q583-R586 VanDerWaalsContact O-N 3.11Å; Q583-E587 HydrophobicContact CG-CG 4.4Å; Q583-E587 VanDerWaalsContact CG-OE1 3.24Å; Q583-E587 WeakPolarHBondContact CG-OE1 3.41Å; Q583-E587 PolarHBondContact NE2-OE1 3.43Å; Q583-E587 WeakPolarHBondContact O-CG 3.44Å; Q583-E587 PolarHBondContact O-N 3.23Å |
| 584 | Q | 93.6 | Very high | 87.4 | Confident | 60 Ų | 60 | 88.9 Ų | 88.9 | 28% | 0.28 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.5 | -35.1 | 177.7 | -67.3 | 173.8 | 48.3 | 0 | 0 | 112.8 | S580 L581 R588 | S580-Q584 WeakPolarHBondContact O-CG 3.37Å; S580-Q584 PolarHBondContact O-N 2.84Å; S580-Q584 PolarHBondContact OG-NE2 3.07Å; L581-Q584 PolarHBondContact O-N 2.61Å; Q584-R588 WeakPolarHBondContact O-CB 3.36Å; Q584-R588 VanDerWaalsContact O-CG 3.25Å; Q584-R588 WeakPolarHBondContact O-CG 3.29Å; Q584-R588 PolarHBondContact O-N 3.49Å |
| 585 | V | 95 | Very high | 85.5 | Confident | 77 Ų | 77 | 89.8 Ų | 89.8 | 47% | 0.467 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68 | -42.7 | 175.1 | 167.6 | 0 | 0 | 0 | 0 | 110.7 | L581 Q583 N589 | L581-V585 WeakPolarHBondContact O-CB 3.38Å; L581-V585 VanDerWaalsContact O-CG2 3.27Å; L581-V585 WeakPolarHBondContact O-CG2 3.35Å; L581-V585 PolarHBondContact O-N 3.06Å; Q583-V585 VanDerWaalsContact C-N 3.27Å; Q583-V585 PolarHBondContact O-N 2.98Å; V585-N589 WeakPolarHBondContact O-CB 3.42Å; V585-N589 PolarHBondContact O-N 2.72Å; V585-N589 VanDerWaalsContact O-N 3.13Å; V585-N589 PolarHBondContact O-ND2 3.48Å |
| 586 | R | 92.3 | Very high | 83.6 | Confident | 152 Ų | 152 | 89.3 Ų | 89.3 | 57% | 0.574 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.5 | -48.3 | 173.5 | -78.3 | 174.6 | -85.2 | -165.2 | -10.7 | 111.6 | E582 Q583 N589 L590 | E582-R586 VanDerWaalsContact CB-NH2 3.34Å; E582-R586 WeakPolarHBondContact O-CB 3.1Å; E582-R586 WeakPolarHBondContact O-CG 3.39Å; E582-R586 PolarHBondContact O-N 3.24Å; E582-R586 PolarHBondContact O-NE 3.38Å; E582-R586 IonicContact OE2-NH2 3.45Å; E582-R586 PolarHBondContact OE2-NH2 2.91Å; E582-R586 VanDerWaalsContact OE2-NH2 3.12Å; Q583-R586 WeakPolarHBondContact O-CB 3.23Å; Q583-R586 PolarHBondContact O-N 3.3Å; Q583-R586 VanDerWaalsContact O-N 3.11Å; R586-N589 PolarHBondContact O-N 2.72Å; R586-L590 WeakPolarHBondContact O-CB 3.31Å; R586-L590 PolarHBondContact O-N 3.34Å |
| 587 | E | 89.9 | Confident | 81.7 | Confident | 105 Ų | 105 | 92.6 Ų | 92.6 | 49% | 0.491 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | -179.7 | -71.4 | 170.5 | -177.3 | 0 | 0 | 112.8 | Q583 N589 L590 N591 | Q583-E587 HydrophobicContact CG-CG 4.4Å; Q583-E587 VanDerWaalsContact CG-OE1 3.24Å; Q583-E587 WeakPolarHBondContact CG-OE1 3.41Å; Q583-E587 PolarHBondContact NE2-OE1 3.43Å; Q583-E587 WeakPolarHBondContact O-CG 3.44Å; Q583-E587 PolarHBondContact O-N 3.23Å; E587-N589 VanDerWaalsContact C-N 3.34Å; E587-N589 PolarHBondContact O-N 3.11Å; E587-L590 PolarHBondContact O-N 3.31Å; E587-N591 PolarHBondContact O-N 2.99Å |
| 588 | R | 85.4 | Confident | 79.7 | Confident | 141 Ų | 141 | 97 Ų | 97 | 53% | 0.532 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.3 | -36.7 | 178 | -73.4 | 179 | -169.4 | 115 | 8.2 | 112.7 | Q584 | Q584-R588 WeakPolarHBondContact O-CB 3.36Å; Q584-R588 VanDerWaalsContact O-CG 3.25Å; Q584-R588 WeakPolarHBondContact O-CG 3.29Å; Q584-R588 PolarHBondContact O-N 3.49Å |
| 589 | N | 79.7 | Confident | 77.7 | Confident | 123 Ų | 123 | 100.6 Ų | 100.6 | 66% | 0.658 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -74.2 | -28.5 | 176.8 | -77.7 | -63.6 | 0 | 0 | 0 | 112.9 | V585 R586 E587 N591 | V585-N589 WeakPolarHBondContact O-CB 3.42Å; V585-N589 PolarHBondContact O-N 2.72Å; V585-N589 VanDerWaalsContact O-N 3.13Å; V585-N589 PolarHBondContact O-ND2 3.48Å; R586-N589 PolarHBondContact O-N 2.72Å; E587-N589 VanDerWaalsContact C-N 3.34Å; E587-N589 PolarHBondContact O-N 3.11Å; N589-N591 VanDerWaalsContact C-N 3.33Å; N589-N591 PolarHBondContact O-N 3.23Å |
| 590 | L | 77.9 | Confident | 75.7 | Confident | 156 Ų | 156 | 105.2 Ų | 105.2 | 82% | 0.817 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -72.1 | -23.8 | 179.4 | -169.2 | 61.1 | 0 | 0 | 0 | 113.1 | R586 E587 | R586-L590 WeakPolarHBondContact O-CB 3.31Å; R586-L590 PolarHBondContact O-N 3.34Å; E587-L590 PolarHBondContact O-N 3.31Å |
| 591 | N | 64.4 | Low | 73.5 | Confident | 86 Ų | 86 | 107.8 Ų | 107.8 | 46% | 0.46 | 52% | 0.52 | S | S | . | . | | | trans | -138.9 | 80.2 | 175.5 | -167.7 | -16 | 0 | 0 | 0 | 113.3 | E587 N589 K593 A594 A595 | E587-N591 PolarHBondContact O-N 2.99Å; N589-N591 VanDerWaalsContact C-N 3.33Å; N589-N591 PolarHBondContact O-N 3.23Å; N591-K593 PolarHBondContact O-N 3.04Å; N591-K593 PolarHBondContact OD1-N 2.92Å; N591-A594 HydrophobicContact CB-CB 4.17Å; N591-A594 PolarHBondContact O-N 3.04Å; N591-A594 PolarHBondContact OD1-N 3.22Å; N591-A595 PolarHBondContact O-N 3.18Å |
| 592 | P | 64.1 | Low | 71.4 | Confident | 88 Ų | 88 | 110 Ų | 110 | 57% | 0.571 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.1 | -22.2 | -179.2 | 24.7 | -34.4 | 0 | 0 | 0 | 113.8 | C596 | P592-C596 PolarHBondContact O-N 3.08Å |
| 593 | K | 58.2 | Low | 69.1 | Low | 172 Ų | 172 | 112.5 Ų | 112.5 | 75% | 0.748 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -73.4 | -42 | 176.8 | -70.3 | -174.7 | 177.7 | -180 | 0 | 111.7 | N591 C596 L597 | N591-K593 PolarHBondContact O-N 3.04Å; N591-K593 PolarHBondContact OD1-N 2.92Å; K593-C596 PolarHBondContact O-N 2.83Å; K593-L597 PolarHBondContact O-N 3.24Å |
| 594 | A | 60.8 | Low | 66.8 | Low | 45 Ų | 45 | 115.7 Ų | 115.7 | 37% | 0.372 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.9 | -39.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | N591 C596 L597 K598 | N591-A594 HydrophobicContact CB-CB 4.17Å; N591-A594 PolarHBondContact O-N 3.04Å; N591-A594 PolarHBondContact OD1-N 3.22Å; A594-C596 VanDerWaalsContact C-N 3.26Å; A594-C596 PolarHBondContact O-N 2.91Å; A594-L597 PolarHBondContact O-N 2.96Å; A594-L597 VanDerWaalsContact O-N 3.17Å; A594-K598 PolarHBondContact O-N 3.33Å |
| 595 | A | 57.9 | Low | 64.6 | Low | 30 Ų | 30 | 118.1 Ų | 118.1 | 25% | 0.248 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -65.3 | -23.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | N591 R599 | N591-A595 PolarHBondContact O-N 3.18Å; A595-R599 PolarHBondContact O-NE 3.36Å; A595-R599 VanDerWaalsContact O-NE 3.15Å |
| 596 | C | 59.7 | Low | 61.8 | Low | 74 Ų | 74 | 119.7 Ų | 119.7 | 50% | 0.5 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -83.8 | -35.8 | 170 | -84.2 | 0 | 0 | 0 | 0 | 113.1 | P592 K593 A594 R599 R600 | P592-C596 PolarHBondContact O-N 3.08Å; K593-C596 PolarHBondContact O-N 2.83Å; A594-C596 VanDerWaalsContact C-N 3.26Å; A594-C596 PolarHBondContact O-N 2.91Å; C596-R599 PolarHBondContact SG-NH2 2.94Å; C596-R599 VanDerWaalsContact SG-NH2 3.44Å; C596-R600 PolarHBondContact O-N 3.31Å |
| 597 | L | 55.9 | Low | 59.4 | Low | 124 Ų | 124 | 116.7 Ų | 116.7 | 65% | 0.649 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.6 | -47.5 | 175.7 | -83.6 | 160.4 | 0 | 0 | 0 | 111.7 | K593 A594 R599 R600 E601 | K593-L597 PolarHBondContact O-N 3.24Å; A594-L597 PolarHBondContact O-N 2.96Å; A594-L597 VanDerWaalsContact O-N 3.17Å; L597-R599 VanDerWaalsContact C-N 3.32Å; L597-R599 PolarHBondContact O-N 3.07Å; L597-R600 WeakPolarHBondContact O-CB 3.45Å; L597-R600 PolarHBondContact O-N 3.07Å; L597-E601 PolarHBondContact O-N 3.18Å |
| 598 | K | 56.6 | Low | 56.9 | Low | 106 Ų | 106 | 119.6 Ų | 119.6 | 46% | 0.461 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.1 | -32.7 | -178.1 | -161.2 | 174 | -163.4 | -67.6 | 0 | 113.8 | A594 R600 E601 E602 | A594-K598 PolarHBondContact O-N 3.33Å; K598-R600 VanDerWaalsContact C-N 3.31Å; K598-R600 PolarHBondContact O-N 3.25Å; K598-E601 WeakPolarHBondContact O-CB 3.06Å; K598-E601 PolarHBondContact O-N 3.45Å; K598-E602 IonicContact NZ-OE1 2.69Å; K598-E602 PolarHBondContact NZ-OE1 2.88Å; K598-E602 WeakPolarHBondContact O-CG 3.15Å; K598-E602 PolarHBondContact O-N 3.32Å |
| 599 | R | 57.9 | Low | 55.1 | Low | 165 Ų | 165 | 117.5 Ų | 117.5 | 62% | 0.623 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.2 | -29.3 | 173.7 | -76.3 | -174.7 | -71 | 174 | 3.2 | 113.1 | A595 C596 L597 E603 | A595-R599 PolarHBondContact O-NE 3.36Å; A595-R599 VanDerWaalsContact O-NE 3.15Å; C596-R599 PolarHBondContact SG-NH2 2.94Å; C596-R599 VanDerWaalsContact SG-NH2 3.44Å; L597-R599 VanDerWaalsContact C-N 3.32Å; L597-R599 PolarHBondContact O-N 3.07Å; R599-E603 PolarHBondContact O-N 2.89Å |
| 600 | R | 54.4 | Low | 53.3 | Low | 192 Ų | 192 | 116.8 Ų | 116.8 | 73% | 0.725 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -81.5 | -22.1 | 176.1 | -157.7 | 179.5 | -166.2 | -165.3 | 3.9 | 113.3 | C596 L597 K598 | C596-R600 PolarHBondContact O-N 3.31Å; L597-R600 WeakPolarHBondContact O-CB 3.45Å; L597-R600 PolarHBondContact O-N 3.07Å; K598-R600 VanDerWaalsContact C-N 3.31Å; K598-R600 PolarHBondContact O-N 3.25Å |
| 601 | E | 51.7 | Low | 51.7 | Low | 112 Ų | 112 | 115.3 Ų | 115.3 | 52% | 0.523 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -71.8 | -51.6 | 170.2 | 169.7 | -163.6 | 135.7 | 0 | 0 | 110.5 | L597 K598 E603 K604 V605 | L597-E601 PolarHBondContact O-N 3.18Å; K598-E601 WeakPolarHBondContact O-CB 3.06Å; K598-E601 PolarHBondContact O-N 3.45Å; E601-E603 VanDerWaalsContact C-N 3.35Å; E601-E603 PolarHBondContact O-N 3.24Å; E601-K604 PolarHBondContact O-N 3.32Å; E601-K604 VanDerWaalsContact O-N 3.08Å; E601-V605 PolarHBondContact O-N 3.33Å |
| 602 | E | 51.8 | Low | 50.5 | Low | 103 Ų | 103 | 119.4 Ų | 119.4 | 48% | 0.481 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -63.8 | -35.9 | -178.6 | -71.1 | 172 | -155.8 | 0 | 0 | 113 | K598 K604 V605 S606 | K598-E602 IonicContact NZ-OE1 2.69Å; K598-E602 PolarHBondContact NZ-OE1 2.88Å; K598-E602 WeakPolarHBondContact O-CG 3.15Å; K598-E602 PolarHBondContact O-N 3.32Å; E602-K604 PolarHBondContact O-N 3.48Å; E602-V605 PolarHBondContact O-N 3.38Å; E602-S606 PolarHBondContact O-N 3.07Å |
| 603 | E | 48.2 | Very low | 49.2 | Very low | 146 Ų | 146 | 120.7 Ų | 120.7 | 68% | 0.682 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -58.8 | -33.4 | 173.3 | -171.6 | 179.9 | -172.2 | 0 | 0 | 112.8 | R599 E601 | R599-E603 PolarHBondContact O-N 2.89Å; E601-E603 VanDerWaalsContact C-N 3.35Å; E601-E603 PolarHBondContact O-N 3.24Å |
| 604 | K | 46.5 | Very low | 48.5 | Very low | 172 Ų | 172 | 121.2 Ų | 121.2 | 75% | 0.748 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -80.6 | -17.2 | -179.7 | -98.7 | -164.4 | 168.8 | -160.6 | 0 | 114.8 | E601 E602 S607 | E601-K604 PolarHBondContact O-N 3.32Å; E601-K604 VanDerWaalsContact O-N 3.08Å; E602-K604 PolarHBondContact O-N 3.48Å; K604-S607 PolarHBondContact O-OG 2.7Å |
| 605 | V | 48.1 | Very low | 47.3 | Very low | 111 Ų | 111 | 123.9 Ų | 123.9 | 67% | 0.673 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -91.5 | -22.4 | 179.3 | 179.1 | 0 | 0 | 0 | 0 | 111.2 | E601 E602 S607 | E601-V605 PolarHBondContact O-N 3.33Å; E602-V605 PolarHBondContact O-N 3.38Å; V605-S607 VanDerWaalsContact C-N 3.25Å; V605-S607 PolarHBondContact O-N 3.27Å |
| 606 | S | 36.5 | Very low | 46.2 | Very low | 111 Ų | 111 | 125.4 Ų | 125.4 | 78% | 0.776 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 2 | 177.2 | -166.8 | 0 | 0 | 0 | 0 | 114.7 | E602 | E602-S606 PolarHBondContact O-N 3.07Š|
| 607 | S | 42.2 | Very low | 46 | Very low | 88 Ų | 88 | 128 Ų | 128 | 62% | 0.615 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | 19.5 | -175 | 71.3 | 0 | 0 | 0 | 0 | 114.4 | K604 V605 P609 | K604-S607 PolarHBondContact O-OG 2.7Å; V605-S607 VanDerWaalsContact C-N 3.25Å; V605-S607 PolarHBondContact O-N 3.27Å; S607-P609 WeakPolarHBondContact O-CD 3.49Å |
| 608 | E | 37.4 | Very low | 45.1 | Very low | 166 Ų | 166 | 131.1 Ų | 131.1 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | | | trans | -89.8 | 114.8 | 173.5 | -169.5 | 172.7 | 165.2 | 0 | 0 | 110.2 | | |
| 609 | P | 48.3 | Very low | 44.8 | Very low | 98 Ų | 98 | 132 Ų | 132 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | | | trans | -73.1 | 151.1 | 174.5 | 31.3 | -34.3 | 0 | 0 | 0 | 110.8 | S607 | S607-P609 WeakPolarHBondContact O-CD 3.49Š|
| 610 | P | 41.2 | Very low | 43.8 | Very low | 107 Ų | 107 | 127.4 Ų | 127.4 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | | | trans | -63.1 | 142.5 | -177.7 | 26.6 | -35 | 0 | 0 | 0 | 111.9 | L612 | P610-L612 PolarHBondContact O-N 3.27Š|
| 611 | P | 43.4 | Very low | 43.3 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | trans | -70.9 | 106 | -174.5 | 27.9 | -34.9 | 0 | 0 | 0 | 111.4 | | |
| 612 | L | 39 | Very low | 42.6 | Very low | 172 Ų | 172 | 125.8 Ų | 125.8 | 90% | 0.901 | 76% | 0.76 | S | S | * | * | | | trans | -72.5 | 137.2 | 170.1 | -71.9 | 178.2 | 0 | 0 | 0 | 110.9 | P610 | P610-L612 PolarHBondContact O-N 3.27Š|
| 613 | S | 38.3 | Very low | 41.8 | Very low | 114 Ų | 114 | 128.9 Ų | 128.9 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | | | trans | -76 | 138.6 | -170.2 | 52.3 | 0 | 0 | 0 | 0 | 114.2 | A615 | S613-A615 PolarHBondContact O-N 2.68Š|
| 614 | L | 42.8 | Very low | 41.6 | Very low | 183 Ų | 183 | 126.4 Ų | 126.4 | 96% | 0.958 | 79% | 0.785 | S | S | * | * | | | trans | -33 | 106.1 | 171.5 | -180 | 70 | 0 | 0 | 0 | 116.9 | | |
| 615 | A | 36 | Very low | 41.5 | Very low | 101 Ų | 101 | 123.6 Ų | 123.6 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | | | trans | -172.4 | 141.5 | 149.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | S613 | S613-A615 PolarHBondContact O-N 2.68Š|
| 616 | G | 33.8 | Very low | 41.2 | Very low | 62 Ų | 62 | 126.3 Ų | 126.3 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | | | cis | -162.9 | 179.3 | -5.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 617 | P | 55.1 | Low | 41.6 | Very low | 128 Ų | 128 | 129 Ų | 129 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | | | trans | -82.9 | 134.8 | -169.6 | 32.1 | -34.5 | 0 | 0 | 0 | 113.6 | | |
| 618 | H | 37.2 | Very low | 41.8 | Very low | 190 Ų | 190 | 133.9 Ų | 133.9 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | | | trans | -135.8 | 139.6 | 163.5 | -95.2 | -88.2 | 0 | 0 | 0 | 111.3 | | |
| 619 | P | 51.3 | Low | 42.3 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | | | trans | -106.2 | 164.3 | -172.9 | 39.9 | -35.5 | 0 | 0 | 0 | 114.4 | | |
| 620 | G | 35.8 | Very low | 42.2 | Very low | 69 Ų | 69 | 132.3 Ų | 132.3 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | | | trans | 110.4 | 151.5 | 148.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 621 | M | 44.2 | Very low | 42.1 | Very low | 201 Ų | 201 | 139.4 Ų | 139.4 | 99% | 0.99 | 84% | 0.836 | S | S | * | * | | | trans | 65.9 | 136.1 | 177.3 | -55.8 | 165.3 | 64.1 | 0 | 0 | 114.6 | | |
| 622 | G | 36.7 | Very low | 42 | Very low | 69 Ų | 69 | 140.1 Ų | 140.1 | 71% | 0.711 | 84% | 0.836 | S | S | * | * | | | cis | -179.6 | 168.1 | -3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 623 | D | 36.6 | Very low | 42.2 | Very low | 169 Ų | 169 | 138.4 Ų | 138.4 | 90% | 0.904 | 83% | 0.833 | S | S | * | * | | | trans | -42 | 135.5 | -173.3 | -66.4 | -81.1 | 0 | 0 | 0 | 117.3 | | |
| 624 | A | 42.4 | Very low | 42.4 | Very low | 94 Ų | 94 | 139.7 Ų | 139.7 | 78% | 0.777 | 84% | 0.835 | S | S | * | * | | | | -167.9 | 110.4 | 116.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 625 | S | 45.3 | Very low | 42.4 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 78% | 0.783 | 83% | 0.828 | S | S | * | * | | | trans | 28.1 | 109.9 | 135.8 | -52.9 | 0 | 0 | 0 | 0 | 120.3 | | |
| 626 | N | 42.7 | Very low | 42.8 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 90% | 0.904 | 83% | 0.827 | S | S | * | * | | | | -151.5 | 123.9 | 122.5 | -111 | -44.4 | 0 | 0 | 0 | 111.4 | | |
| 627 | H | 44 | Very low | 43.4 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 77% | 0.773 | 84% | 0.84 | S | S | * | * | | | trans | -116.4 | 103.5 | -176.4 | 178.3 | 89 | 0 | 0 | 0 | 109.2 | | |
| 628 | M | 46.2 | Very low | 42.5 | Very low | 190 Ų | 190 | 145.8 Ų | 145.8 | 94% | 0.936 | 84% | 0.841 | S | S | * | * | | | trans | -128.9 | 99.7 | 167.5 | -77 | -175.9 | 67.5 | 0 | 0 | 108.5 | | |
| 629 | G | 48.4 | Very low | 42.9 | Very low | 45 Ų | 45 | 142.4 Ų | 142.4 | 46% | 0.464 | 84% | 0.838 | S | S | . | * | | | trans | -166.2 | 104.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 630 | Q | 45.5 | Very low | 42.2 | Very low | 187 Ų | 187 | 143.9 Ų | 143.9 | 87% | 0.874 | 84% | 0.84 | S | S | * | * | | | trans | 71.8 | 145.7 | 178.5 | -48.3 | 170.6 | 29.2 | 0 | 0 | 112.8 | | |
| 631 | M | 39.1 | Very low | 42.8 | Very low | 255 Ų | 255 | 150.7 Ų | 150.7 | 100% | 1.256 | 85% | 0.852 | S | S | * | * | | | cis | -118.2 | 0 | 8.6 | -62.4 | 177.3 | -178.5 | 0 | 0 | 112.2 | | |