| 1 | M | 48.5 | Very low | 69.4 | Low | 239 Ų | 239 | 132.4 Ų | 132.4 | 100% | 1.177 | 69% | 0.693 | S | S | * | * | | | | 0 | 140.2 | 0 | -68.8 | 154.2 | 76.6 | 0 | 0 | 107.2 | | |
| 2 | D | 68.8 | Low | 69.8 | Low | 149 Ų | 149 | 132.3 Ų | 132.3 | 80% | 0.797 | 68% | 0.683 | S | S | * | * | | | trans | -71.3 | 144.5 | -178.4 | -149 | -68.8 | 0 | 0 | 0 | 111 | H4 | D2-H4 PolarHBondContact OD1-N 2.91Å; D2-H4 VanDerWaalsContact OD1-N 3.07Å |
| 3 | K | 70.6 | Confident | 70.6 | Confident | 167 Ų | 167 | 135.6 Ų | 135.6 | 73% | 0.726 | 69% | 0.689 | S | S | * | * | | | trans | -114.3 | -4.2 | -169.7 | 46.2 | 166.8 | -174.9 | -67.5 | 0 | 113.4 | | |
| 4 | H | 71.9 | Confident | 70.6 | Confident | 132 Ų | 132 | 138.4 Ų | 138.4 | 61% | 0.611 | 70% | 0.699 | S | S | * | * | | | trans | -130.6 | 58.3 | -174 | -56.7 | -47.5 | 0 | 0 | 0 | 112.2 | D2 V6 | D2-H4 PolarHBondContact OD1-N 2.91Å; D2-H4 VanDerWaalsContact OD1-N 3.07Å; H4-V6 PolarHBondContact O-N 3.46Å |
| 5 | G | 71.4 | Confident | 70 | Confident | 65 Ų | 65 | 137.2 Ų | 137.2 | 67% | 0.67 | 70% | 0.701 | S | S | * | * | | | trans | -59.6 | 105.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | K7 | G5-K7 PolarHBondContact O-N 3.07Š|
| 6 | V | 70.5 | Confident | 69.6 | Low | 132 Ų | 132 | 139.8 Ų | 139.8 | 80% | 0.8 | 71% | 0.71 | S | S | * | * | | | trans | -63.7 | 122.7 | 179 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | H4 T8 | H4-V6 PolarHBondContact O-N 3.46Å; V6-T8 PolarHBondContact O-N 2.96Å |
| 7 | K | 71.3 | Confident | 68.8 | Low | 194 Ų | 194 | 142.1 Ų | 142.1 | 84% | 0.843 | 72% | 0.717 | S | S | * | * | | | trans | -102.9 | 78.2 | -173.2 | -79.1 | 155.6 | 61.1 | 177.8 | 0 | 110.1 | G5 | G5-K7 PolarHBondContact O-N 3.07Š|
| 8 | T | 72.5 | Confident | 68.1 | Low | 88 Ų | 88 | 144 Ų | 144 | 54% | 0.54 | 73% | 0.728 | S | S | . | * | | | trans | -52.5 | 130.4 | 170.2 | -34.9 | 0 | 0 | 0 | 0 | 109.4 | V6 | V6-T8 PolarHBondContact O-N 2.96Š|
| 9 | P | 70.8 | Confident | 67.4 | Low | 51 Ų | 51 | 148.5 Ų | 148.5 | 33% | 0.331 | 74% | 0.735 | S | S | . | * | | | trans | -78.2 | 136.2 | -178.4 | 34.9 | -36.9 | 0 | 0 | 0 | 110.3 | E61 | P9-E61 VanDerWaalsContact C-OE2 3.23Å; P9-E61 WeakPolarHBondContact CA-OE2 3.49Å; P9-E61 HydrophobicContact CB-CB 3.83Å; P9-E61 VanDerWaalsContact CB-CD 3.41Å; P9-E61 HydrophobicContact CB-CG 4.04Å; P9-E61 WeakPolarHBondContact CB-OE2 3.38Å; P9-E61 HydrophobicContact CG-CB 4.17Å |
| 10 | L | 73.3 | Confident | 66.9 | Low | 156 Ų | 156 | 145.4 Ų | 145.4 | 82% | 0.817 | 74% | 0.735 | S | S | * | * | | | trans | -104.4 | -27 | -156.5 | 175.7 | 62.7 | 0 | 0 | 0 | 114.9 | E61 | L10-E61 PolarHBondContact N-OE2 3.12Š|
| 11 | W | 74.1 | Confident | 66.5 | Low | 83 Ų | 83 | 147.6 Ų | 147.6 | 31% | 0.314 | 74% | 0.742 | S | S | . | * | | | trans | -112.9 | 89 | -162.8 | 38 | -90.4 | 0 | 0 | 0 | 113.4 | E61 R63 R65 | W11-E61 HydrophobicContact CD2-CG 4.07Å; W11-E61 HydrophobicContact CE3-CG 3.87Å; W11-E61 VanDerWaalsContact CH2-CD 3.4Å; W11-E61 HydrophobicContact CH2-CG 4.02Å; W11-E61 WeakPolarHBondContact CH2-OE1 3.24Å; W11-E61 HydrophobicContact CZ2-CG 4.39Å; W11-E61 WeakPolarHBondContact CZ2-OE1 3.07Å; W11-E61 HydrophobicContact CZ3-CG 3.71Å; W11-E61 PolarHBondContact N-OE2 2.83Å; W11-E61 PolarHBondContact NE1-OE2 3Å; W11-E61 WeakPolarHBondContact O-CG 3.22Å; W11-R63 HydrophobicContact CE3-CB 4.16Å; W11-R63 HydrophobicContact CE3-CG 4.16Å; W11-R63 HydrophobicContact CH2-CB 3.93Å; W11-R63 HydrophobicContact CH2-CG 3.41Å; W11-R63 VanDerWaalsContact CH2-CG 3.41Å; W11-R63 HydrophobicContact CZ2-CG 4.5Å; W11-R63 HydrophobicContact CZ3-CB 3.28Å; W11-R63 HydrophobicContact CZ3-CG 3.22Å; W11-R63 VanDerWaalsContact CZ3-N 3.34Å; W11-R65 HydrophobicContact CH2-CG 3.82Å; W11-R65 HydrophobicContact CZ2-CG 4.11Å; W11-R65 VanDerWaalsContact CZ2-NE 3.34Å |
| 12 | K | 73.9 | Confident | 66.6 | Low | 132 Ų | 132 | 144 Ų | 144 | 57% | 0.574 | 73% | 0.728 | S | S | * | * | | | trans | -62 | 159.4 | 158.3 | -60.7 | -134.9 | -167.5 | -137 | 0 | 110.5 | E59 G60 | K12-E59 WeakPolarHBondContact CE-O 3.44Å; K12-E59 PolarHBondContact NZ-O 3.34Å; K12-G60 VanDerWaalsContact CD-O 3.22Å; K12-G60 WeakPolarHBondContact CD-O 3.38Å; K12-G60 WeakPolarHBondContact CE-O 2.94Å; K12-G60 WeakPolarHBondContact CG-O 3.36Å; K12-G60 PolarHBondContact NZ-O 3.24Å |
| 13 | K | 80.2 | Confident | 65.7 | Low | 175 Ų | 175 | 140.6 Ų | 140.6 | 76% | 0.761 | 72% | 0.72 | S | S | * | * | | | trans | -139.2 | 135 | 161.7 | 175.7 | 175.3 | 176.9 | -172.9 | 0 | 110.1 | | |
| 14 | E | 71.4 | Confident | 64.9 | Low | 175 Ų | 175 | 142.7 Ų | 142.7 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | | | trans | -105.7 | 161 | 168.9 | -59.6 | -178.2 | 168.5 | 0 | 0 | 109.2 | | |
| 15 | T | 61.5 | Low | 63.8 | Low | 120 Ų | 120 | 144.5 Ų | 144.5 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | | | trans | -145.1 | 103.4 | -169.7 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 16 | E | 62.7 | Low | 62.6 | Low | 179 Ų | 179 | 150.2 Ų | 150.2 | 84% | 0.836 | 75% | 0.751 | S | S | * | * | | | trans | -144.4 | 105.8 | 168.1 | -167.9 | 160.9 | 140.4 | 0 | 0 | 110.9 | | |
| 17 | E | 56.1 | Low | 61.7 | Low | 179 Ų | 179 | 153.3 Ų | 153.3 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | | | trans | -148 | 57.6 | 161.1 | -160.3 | 179.7 | 123.1 | 0 | 0 | 108 | | |
| 18 | L | 57 | Low | 60.5 | Low | 176 Ų | 176 | 147.6 Ų | 147.6 | 92% | 0.921 | 75% | 0.752 | S | S | * | * | | | trans | -122.7 | 38.1 | 174.9 | -92.7 | 173.3 | 0 | 0 | 0 | 111 | | |
| 19 | R | 55.1 | Low | 59.3 | Low | 229 Ų | 229 | 153.2 Ų | 153.2 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | | | trans | -144.4 | 60.2 | 172.1 | -161.5 | 179.6 | -178.7 | 171.9 | 0.4 | 111.4 | | |
| 20 | A | 57 | Low | 58.3 | Low | 87 Ų | 87 | 159.9 Ų | 159.9 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | | | trans | -117.8 | 38.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 21 | E | 58.5 | Low | 56.9 | Low | 191 Ų | 191 | 155.8 Ų | 155.8 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | | | trans | -160.2 | 105.7 | 166.5 | -119.5 | 173.7 | 74.2 | 0 | 0 | 109.6 | | |
| 22 | D | 51 | Low | 55.7 | Low | 165 Ų | 165 | 156.9 Ų | 156.9 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | S | Bend | trans | 163.7 | 154 | 141.8 | -170.1 | -142.6 | 0 | 0 | 0 | 109.3 | | |
| 23 | A | 49.8 | Very low | 54 | Low | 76 Ų | 76 | 159 Ų | 159 | 63% | 0.628 | 82% | 0.823 | S | S | * | * | | | trans | 67 | 46.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | Q25 | A23-Q25 PolarHBondContact O-N 3.33Å; A23-Q25 VanDerWaalsContact O-N 3.15Å |
| 24 | E | 53.6 | Low | 52 | Low | 211 Ų | 211 | 157.4 Ų | 157.4 | 99% | 0.986 | 82% | 0.823 | S | S | * | * | | | trans | -70.9 | 83.7 | 136.7 | -75 | -168 | 124.6 | 0 | 0 | 108.1 | | |
| 25 | Q | 47.3 | Very low | 50.9 | Low | 170 Ų | 170 | 157.4 Ų | 157.4 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | | | trans | -125.6 | 92.4 | -179.9 | -177.2 | 156.9 | 80.3 | 0 | 0 | 113.1 | A23 | A23-Q25 PolarHBondContact O-N 3.33Å; A23-Q25 VanDerWaalsContact O-N 3.15Å |
| 26 | E | 47.2 | Very low | 50.2 | Low | 186 Ų | 186 | 159.1 Ų | 159.1 | 87% | 0.869 | 83% | 0.828 | S | S | * | * | | | trans | 56.2 | 147 | 144.5 | -143.7 | 167.5 | -140.5 | 0 | 0 | 121.3 | | |
| 27 | E | 52.6 | Low | 49.4 | Very low | 197 Ų | 197 | 158.5 Ų | 158.5 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | | | trans | -66.8 | 138.8 | 172.6 | -60.3 | -178.8 | 129.7 | 0 | 0 | 111.3 | | |
| 28 | G | 46 | Very low | 49.3 | Very low | 73 Ų | 73 | 158.2 Ų | 158.2 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | | | trans | -144.9 | 78.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 29 | K | 45.5 | Very low | 49.1 | Very low | 207 Ų | 207 | 155.1 Ų | 155.1 | 90% | 0.9 | 81% | 0.814 | S | S | * | * | | | trans | 74.2 | 111.9 | 150 | -168.4 | 174.4 | -178.3 | -173.7 | 0 | 119.1 | | |
| 30 | E | 50.4 | Low | 48.6 | Very low | 191 Ų | 191 | 152.1 Ų | 152.1 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | | | trans | -67.7 | 154.5 | 154.2 | -56.4 | 175.8 | 120 | 0 | 0 | 111.8 | | |
| 31 | G | 43.3 | Very low | 48.5 | Very low | 69 Ų | 69 | 159.2 Ų | 159.2 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | | | trans | 131.9 | 158.9 | 154.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 32 | S | 49.7 | Very low | 48 | Very low | 107 Ų | 107 | 154.3 Ų | 154.3 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | | | trans | 77.1 | 126.9 | -172.6 | -134.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 33 | E | 38.4 | Very low | 48 | Very low | 175 Ų | 175 | 155.1 Ų | 155.1 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | cis | 63.2 | 129.3 | 37.6 | -55.5 | 177.2 | 114.8 | 0 | 0 | 111.7 | | |
| 34 | D | 38 | Very low | 48.1 | Very low | 142 Ų | 142 | 159.5 Ų | 159.5 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | | | cis | -153 | -164.1 | 0.5 | -160.9 | 11.2 | 0 | 0 | 0 | 110.5 | | |
| 35 | E | 47.7 | Very low | 47.5 | Very low | 176 Ų | 176 | 156.6 Ų | 156.6 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | | | trans | -48.2 | 137.5 | 172 | -58.1 | -178.7 | 141.6 | 0 | 0 | 114.8 | | |
| 36 | D | 47 | Very low | 47.9 | Very low | 156 Ų | 156 | 154.9 Ų | 154.9 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | | | trans | -136 | 96.3 | 164.4 | -154.4 | -93.8 | 0 | 0 | 0 | 110.8 | | |
| 37 | E | 45.7 | Very low | 48.2 | Very low | 166 Ų | 166 | 149.9 Ų | 149.9 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | trans | 33.5 | 104.9 | 158.7 | -52.5 | -160.5 | 114.8 | 0 | 0 | 121.7 | N39 | E37-N39 PolarHBondContact O-N 3.09Š|
| 38 | D | 55.2 | Low | 47.8 | Very low | 172 Ų | 172 | 146.9 Ų | 146.9 | 92% | 0.92 | 80% | 0.797 | S | S | * | * | | | trans | -68 | 92.6 | 152.6 | 176.3 | 27.1 | 0 | 0 | 0 | 110.4 | | |
| 39 | N | 52.8 | Low | 48.2 | Very low | 111 Ų | 111 | 153.1 Ų | 153.1 | 59% | 0.594 | 81% | 0.807 | S | S | * | * | | | trans | -153.3 | 158.7 | 171.2 | -137.7 | -47.2 | 0 | 0 | 0 | 113.8 | E37 | E37-N39 PolarHBondContact O-N 3.09Š|
| 40 | Q | 43.3 | Very low | 48.4 | Very low | 166 Ų | 166 | 146.5 Ų | 146.5 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | | | trans | 67.4 | 51.7 | 168.7 | -49.7 | -64.8 | -73.4 | 0 | 0 | 118 | | |
| 41 | R | 55 | Low | 48.7 | Very low | 237 Ų | 237 | 146.3 Ų | 146.3 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | | | trans | -66.8 | 136.6 | 136.4 | -177.9 | -172.7 | -65 | -114.9 | 3.1 | 106.8 | | |
| 42 | P | 48.4 | Very low | 49.5 | Very low | 87 Ų | 87 | 151.4 Ų | 151.4 | 57% | 0.565 | 80% | 0.801 | S | S | * | * | | | cis | -131.2 | 149.5 | 31.8 | 39.8 | -24.4 | 0 | 0 | 0 | 116.9 | E44 | P42-E44 HydrophobicContact CB-CG 3.88Å; P42-E44 HydrophobicContact CG-CG 4.01Å |
| 43 | L | 50.8 | Low | 49.8 | Very low | 183 Ų | 183 | 150.8 Ų | 150.8 | 96% | 0.958 | 79% | 0.794 | S | S | * | * | | | trans | -94.9 | 84.2 | 156.9 | -163.3 | 79.4 | 0 | 0 | 0 | 109 | D45 | L43-D45 PolarHBondContact O-N 3.07Š|
| 44 | E | 51.6 | Low | 50.7 | Low | 167 Ų | 167 | 147.2 Ų | 147.2 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | | | trans | -82 | 102.6 | 168.4 | -57.1 | -168.9 | 139.7 | 0 | 0 | 109.1 | P42 | P42-E44 HydrophobicContact CB-CG 3.88Å; P42-E44 HydrophobicContact CG-CG 4.01Å |
| 45 | D | 42.1 | Very low | 51.7 | Low | 150 Ų | 150 | 151.5 Ų | 151.5 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | | | trans | -172.8 | 120.3 | 132.5 | -109 | -33.1 | 0 | 0 | 0 | 112.3 | L43 A47 | L43-D45 PolarHBondContact O-N 3.07Å; D45-A47 PolarHBondContact O-N 3.5Å |
| 46 | S | 54.7 | Low | 51.6 | Low | 134 Ų | 134 | 150.3 Ų | 150.3 | 94% | 0.937 | 80% | 0.797 | S | S | * | * | | | trans | -95.6 | 82.3 | 177.2 | -67 | 0 | 0 | 0 | 0 | 110.2 | | |
| 47 | A | 53.5 | Low | 52.6 | Low | 82 Ų | 82 | 147.7 Ų | 147.7 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | | | trans | -137.7 | 56.2 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | D45 | D45-A47 PolarHBondContact O-N 3.5Š|
| 48 | T | 44.3 | Very low | 53.1 | Low | 134 Ų | 134 | 147.3 Ų | 147.3 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | | | | -176.1 | 117.7 | 124.4 | -173.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 49 | E | 54.1 | Low | 52.8 | Low | 204 Ų | 204 | 145.6 Ų | 145.6 | 95% | 0.953 | 78% | 0.781 | S | S | * | * | | | trans | -81.5 | 112.9 | 158.9 | -176 | 178.2 | 102.7 | 0 | 0 | 106.9 | | |
| 50 | G | 51.3 | Low | 53.4 | Low | 67 Ų | 67 | 141.4 Ų | 141.4 | 69% | 0.691 | 77% | 0.765 | S | S | * | * | | | trans | -136.4 | 82.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E52 | G50-E52 PolarHBondContact O-N 2.84Š|
| 51 | E | 56 | Low | 54.7 | Low | 187 Ų | 187 | 135.4 Ų | 135.4 | 87% | 0.874 | 74% | 0.736 | S | S | * | * | | | trans | -66.3 | 110.7 | 175.3 | -176.2 | -175.6 | 108.5 | 0 | 0 | 110.8 | | |
| 52 | E | 60.3 | Low | 54.8 | Low | 177 Ų | 177 | 127 Ų | 127 | 83% | 0.827 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 125.1 | 164.1 | -165.4 | -173.3 | 143.4 | 0 | 0 | 110.1 | G50 | G50-E52 PolarHBondContact O-N 2.84Š|
| 53 | P | 55.7 | Low | 55.7 | Low | 93 Ų | 93 | 130.7 Ų | 130.7 | 60% | 0.604 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 148.2 | 179 | 30.7 | -35.6 | 0 | 0 | 0 | 112.4 | | |
| 54 | P | 56.8 | Low | 56.5 | Low | 101 Ų | 101 | 130.1 Ų | 130.1 | 66% | 0.656 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 131.2 | -165.9 | 30.9 | -36.7 | 0 | 0 | 0 | 116.3 | | |
| 55 | R | 60.3 | Low | 57.3 | Low | 231 Ų | 231 | 129.2 Ų | 129.2 | 87% | 0.872 | 71% | 0.708 | S | S | * | * | | | trans | 80.2 | 145.7 | 146.3 | 87.8 | -129.4 | 147.8 | 160.1 | -2.4 | 121.8 | | |
| 56 | V | 44.3 | Very low | 59 | Low | 152 Ų | 152 | 133.4 Ų | 133.4 | 92% | 0.921 | 71% | 0.713 | S | S | * | * | | | trans | -148.8 | 141.7 | 156 | -164.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 57 | A | 68.8 | Low | 59.9 | Low | 100 Ų | 100 | 132 Ų | 132 | 83% | 0.826 | 70% | 0.703 | S | S | * | * | | | trans | -166.7 | 145.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 58 | E | 56.3 | Low | 61 | Low | 159 Ų | 159 | 135 Ų | 135 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | | | trans | -170.5 | -161.8 | 139.5 | -129.6 | -157 | 101.7 | 0 | 0 | 108.5 | | |
| 59 | E | 48.9 | Very low | 62.6 | Low | 135 Ų | 135 | 133.4 Ų | 133.4 | 63% | 0.631 | 71% | 0.707 | S | S | * | * | | | cis | -157 | 160.4 | 10.2 | -163.5 | -123 | 104.4 | 0 | 0 | 110.8 | K12 | K12-E59 WeakPolarHBondContact CE-O 3.44Å; K12-E59 PolarHBondContact NZ-O 3.34Å |
| 60 | G | 64.8 | Low | 63.8 | Low | 24 Ų | 24 | 133 Ų | 133 | 25% | 0.247 | 70% | 0.698 | C | S | . | * | | | trans | 105.2 | 103.1 | 142.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | K12 | K12-G60 VanDerWaalsContact CD-O 3.22Å; K12-G60 WeakPolarHBondContact CD-O 3.38Å; K12-G60 WeakPolarHBondContact CE-O 2.94Å; K12-G60 WeakPolarHBondContact CG-O 3.36Å; K12-G60 PolarHBondContact NZ-O 3.24Å |
| 61 | E | 71.7 | Confident | 65.2 | Low | 39 Ų | 39 | 134.9 Ų | 134.9 | 18% | 0.182 | 70% | 0.699 | C | S | . | * | | | trans | -79.5 | 159.1 | 177.8 | 155 | -169.4 | 129.7 | 0 | 0 | 116.1 | P9 L10 W11 R65 | P9-E61 VanDerWaalsContact C-OE2 3.23Å; P9-E61 WeakPolarHBondContact CA-OE2 3.49Å; P9-E61 HydrophobicContact CB-CB 3.83Å; P9-E61 VanDerWaalsContact CB-CD 3.41Å; P9-E61 HydrophobicContact CB-CG 4.04Å; P9-E61 WeakPolarHBondContact CB-OE2 3.38Å; P9-E61 HydrophobicContact CG-CB 4.17Å; L10-E61 PolarHBondContact N-OE2 3.12Å; W11-E61 HydrophobicContact CD2-CG 4.07Å; W11-E61 HydrophobicContact CE3-CG 3.87Å; W11-E61 VanDerWaalsContact CH2-CD 3.4Å; W11-E61 HydrophobicContact CH2-CG 4.02Å; W11-E61 WeakPolarHBondContact CH2-OE1 3.24Å; W11-E61 HydrophobicContact CZ2-CG 4.39Å; W11-E61 WeakPolarHBondContact CZ2-OE1 3.07Å; W11-E61 HydrophobicContact CZ3-CG 3.71Å; W11-E61 PolarHBondContact N-OE2 2.83Å; W11-E61 PolarHBondContact NE1-OE2 3Å; W11-E61 WeakPolarHBondContact O-CG 3.22Å; E61-R65 IonicContact OE1-CZ 3.1Å; E61-R65 IonicContact OE1-NE 2.84Å; E61-R65 PolarHBondContact OE1-NE 3.48Å; E61-R65 IonicContact OE1-NH2 2.63Å; E61-R65 PolarHBondContact OE1-NH2 3.1Å; E61-R65 IonicContact OE2-NH2 3.27Å; E61-R65 PolarHBondContact OE2-NH2 3Å |
| 62 | G | 57 | Low | 66.4 | Low | 60 Ų | 60 | 130.6 Ų | 130.6 | 62% | 0.619 | 69% | 0.688 | S | S | * | * | | | trans | -163.7 | 123.2 | 155.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 63 | R | 66.6 | Low | 67.5 | Low | 166 Ų | 166 | 130 Ų | 130 | 63% | 0.626 | 69% | 0.689 | S | S | * | * | | | trans | -144.4 | 159.2 | 157.8 | 100.3 | -161.6 | -168.2 | -102.1 | 8.7 | 108.3 | W11 R65 | W11-R63 HydrophobicContact CE3-CB 4.16Å; W11-R63 HydrophobicContact CE3-CG 4.16Å; W11-R63 HydrophobicContact CH2-CB 3.93Å; W11-R63 HydrophobicContact CH2-CG 3.41Å; W11-R63 VanDerWaalsContact CH2-CG 3.41Å; W11-R63 HydrophobicContact CZ2-CG 4.5Å; W11-R63 HydrophobicContact CZ3-CB 3.28Å; W11-R63 HydrophobicContact CZ3-CG 3.22Å; W11-R63 VanDerWaalsContact CZ3-N 3.34Å; R63-R65 PolarHBondContact O-N 2.91Å |
| 64 | E | 66.9 | Low | 68.7 | Low | 171 Ų | 171 | 136.7 Ų | 136.7 | 80% | 0.799 | 70% | 0.702 | S | S | * | * | | | trans | -66.5 | 93.8 | 179.5 | -151.7 | 177.3 | 158.4 | 0 | 0 | 112.5 | R66 | E64-R66 PolarHBondContact O-N 2.97Š|
| 65 | R | 69.8 | Low | 69.7 | Low | 147 Ų | 147 | 141.3 Ų | 141.3 | 56% | 0.555 | 72% | 0.715 | S | S | * | * | | | trans | -77.2 | 85.8 | 176.1 | -67.3 | 177 | 172.4 | -141.6 | -1.6 | 109.3 | W11 E61 R63 S67 | W11-R65 HydrophobicContact CH2-CG 3.82Å; W11-R65 HydrophobicContact CZ2-CG 4.11Å; W11-R65 VanDerWaalsContact CZ2-NE 3.34Å; E61-R65 IonicContact OE1-CZ 3.1Å; E61-R65 IonicContact OE1-NE 2.84Å; E61-R65 PolarHBondContact OE1-NE 3.48Å; E61-R65 IonicContact OE1-NH2 2.63Å; E61-R65 PolarHBondContact OE1-NH2 3.1Å; E61-R65 IonicContact OE2-NH2 3.27Å; E61-R65 PolarHBondContact OE2-NH2 3Å; R63-R65 PolarHBondContact O-N 2.91Å; R65-S67 PolarHBondContact O-N 3.07Å; R65-S67 VanDerWaalsContact O-N 3.09Å |
| 66 | R | 76.6 | Confident | 70.8 | Confident | 239 Ų | 239 | 138.9 Ų | 138.9 | 90% | 0.902 | 71% | 0.714 | S | S | * | * | | | trans | -0.6 | 92.8 | 173.4 | -71.9 | -177.2 | 178.9 | 158.8 | -0.6 | 114 | E64 V68 | E64-R66 PolarHBondContact O-N 2.97Å; R66-V68 PolarHBondContact O-N 3.08Å |
| 67 | S | 73.1 | Confident | 71.7 | Confident | 104 Ų | 104 | 136.7 Ų | 136.7 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 126.1 | -168 | -53.7 | 0 | 0 | 0 | 0 | 113.2 | R65 | R65-S67 PolarHBondContact O-N 3.07Å; R65-S67 VanDerWaalsContact O-N 3.09Å |
| 68 | V | 77.6 | Confident | 71.9 | Confident | 144 Ų | 144 | 137 Ų | 137 | 87% | 0.873 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 116.5 | 174.4 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | R66 | R66-V68 PolarHBondContact O-N 3.08Š|
| 69 | S | 77.3 | Confident | 72.3 | Confident | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 131.2 | 176 | 45.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 70 | Y | 79.5 | Confident | 73.1 | Confident | 196 Ų | 196 | 136.8 Ų | 136.8 | 77% | 0.769 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 120.5 | 170.6 | 179.8 | -105.7 | 0 | 0 | 0 | 109.8 | P72 | Y70-P72 HydrophobicContact CD1-CG 4.05Å; Y70-P72 HydrophobicContact CE1-CB 4.19Å; Y70-P72 HydrophobicContact CE1-CG 3.8Å |
| 71 | C | 80.3 | Confident | 73 | Confident | 106 Ų | 106 | 144.4 Ų | 144.4 | 72% | 0.716 | 74% | 0.737 | S | S | * | * | | | trans | -106 | 106.5 | 175.1 | -67.3 | 0 | 0 | 0 | 0 | 109.2 | L73 | C71-L73 PolarHBondContact O-N 3.39Š|
| 72 | P | 82 | Confident | 72.4 | Confident | 97 Ų | 97 | 151.5 Ų | 151.5 | 63% | 0.63 | 77% | 0.77 | S | S | * | * | | | trans | -62 | 135.5 | 177 | -19.2 | 30.4 | 0 | 0 | 0 | 111.3 | Y70 | Y70-P72 HydrophobicContact CD1-CG 4.05Å; Y70-P72 HydrophobicContact CE1-CB 4.19Å; Y70-P72 HydrophobicContact CE1-CG 3.8Å |
| 73 | L | 83.4 | Confident | 72.6 | Confident | 165 Ų | 165 | 153 Ų | 153 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | | | trans | -66.5 | 136.7 | 173.5 | -176.7 | 61.8 | 0 | 0 | 0 | 109.9 | C71 Q75 | C71-L73 PolarHBondContact O-N 3.39Å; L73-Q75 PolarHBondContact O-N 2.95Å |
| 74 | R | 80.7 | Confident | 72.4 | Confident | 232 Ų | 232 | 152.5 Ų | 152.5 | 88% | 0.875 | 78% | 0.782 | S | S | * | * | | | trans | -72.5 | 114.3 | 175.9 | -54.7 | -173.9 | 87.9 | -141.7 | 5.2 | 108.4 | E76 | R74-E76 PolarHBondContact O-N 3.19Š|
| 75 | Q | 78.8 | Confident | 72 | Confident | 199 Ų | 199 | 149.4 Ų | 149.4 | 93% | 0.93 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 117.2 | 175.4 | -171.9 | 174.3 | 4.6 | 0 | 0 | 109.5 | L73 | L73-Q75 PolarHBondContact O-N 2.95Š|
| 76 | E | 82.4 | Confident | 71.3 | Confident | 180 Ų | 180 | 149 Ų | 149 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 145.8 | 176.4 | 65.1 | -165.3 | 125.6 | 0 | 0 | 111.9 | R74 S78 | R74-E76 PolarHBondContact O-N 3.19Å; E76-S78 PolarHBondContact O-N 3.42Å |
| 77 | S | 63.1 | Low | 70.1 | Confident | 105 Ų | 105 | 141.2 Ų | 141.2 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 124.7 | 174.3 | -57.2 | 0 | 0 | 0 | 0 | 109.4 | T79 | S77-T79 VanDerWaalsContact C-N 3.35Å; S77-T79 PolarHBondContact O-N 3.2Å |
| 78 | S | 73.6 | Confident | 68.9 | Low | 106 Ų | 106 | 139.3 Ų | 139.3 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | | | trans | -70.6 | 88.3 | 179.6 | -167.4 | 0 | 0 | 0 | 0 | 111.4 | E76 Q80 | E76-S78 PolarHBondContact O-N 3.42Å; S78-Q80 PolarHBondContact O-N 3.24Å |
| 79 | T | 65.3 | Low | 67.4 | Low | 117 Ų | 117 | 136.9 Ų | 136.9 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | | | trans | -80.7 | 74.5 | 168.8 | 57.2 | 0 | 0 | 0 | 0 | 109.4 | S77 Q81 | S77-T79 VanDerWaalsContact C-N 3.35Å; S77-T79 PolarHBondContact O-N 3.2Å; T79-Q81 PolarHBondContact O-N 3.41Å; T79-Q81 VanDerWaalsContact O-N 3.09Å |
| 80 | Q | 65.6 | Low | 66.2 | Low | 174 Ų | 174 | 139.2 Ų | 139.2 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | trans | -60.8 | 112.3 | 159.6 | -74.2 | -172.7 | -21 | 0 | 0 | 107.3 | S78 E82 | S78-Q80 PolarHBondContact O-N 3.24Å; Q80-E82 VanDerWaalsContact C-N 3.3Å; Q80-E82 PolarHBondContact O-N 3.21Å |
| 81 | Q | 61.2 | Low | 65 | Low | 184 Ų | 184 | 141.2 Ų | 141.2 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | -73.5 | 89.5 | 173.9 | -72.3 | 178.7 | 70.3 | 0 | 0 | 108.2 | T79 A83 | T79-Q81 PolarHBondContact O-N 3.41Å; T79-Q81 VanDerWaalsContact O-N 3.09Å; Q81-A83 PolarHBondContact O-N 3.45Å |
| 82 | E | 59.4 | Low | 63.6 | Low | 187 Ų | 187 | 141.5 Ų | 141.5 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | | | trans | -56.4 | 124.9 | 158.3 | -173 | 165.6 | -160.5 | 0 | 0 | 107.4 | Q80 E84 | Q80-E82 VanDerWaalsContact C-N 3.3Å; Q80-E82 PolarHBondContact O-N 3.21Å; E82-E84 PolarHBondContact O-N 3.33Å |
| 83 | A | 61.3 | Low | 61.8 | Low | 92 Ų | 92 | 140.6 Ų | 140.6 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | | | trans | -69.8 | 109.5 | -165.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q81 P85 | Q81-A83 PolarHBondContact O-N 3.45Å; A83-P85 WeakPolarHBondContact O-CD 3.36Å |
| 84 | E | 63.3 | Low | 60.1 | Low | 155 Ų | 155 | 140.2 Ų | 140.2 | 72% | 0.724 | 81% | 0.812 | S | S | * | * | | | trans | -57.6 | 123.2 | 176.2 | -169.7 | -167 | 133 | 0 | 0 | 110 | E82 | E82-E84 PolarHBondContact O-N 3.33Š|
| 85 | P | 57.9 | Low | 58.8 | Low | 106 Ų | 106 | 134.9 Ų | 134.9 | 69% | 0.688 | 81% | 0.807 | S | S | * | * | | | trans | -68.4 | 131.6 | 174.4 | 28.3 | -33.2 | 0 | 0 | 0 | 109.4 | A83 G87 | A83-P85 WeakPolarHBondContact O-CD 3.36Å; P85-G87 PolarHBondContact O-N 3.46Å |
| 86 | P | 54.2 | Low | 57.4 | Low | 138 Ų | 138 | 129.5 Ų | 129.5 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -71.2 | 96.8 | -169.6 | 27.6 | -35.6 | 0 | 0 | 0 | 112.5 | | |
| 87 | G | 51.5 | Low | 55.8 | Low | 76 Ų | 76 | 127.3 Ų | 127.3 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | | | trans | 166.7 | 70.4 | 174 | 0 | 0 | 0 | 0 | 0 | 116.1 | P85 | P85-G87 PolarHBondContact O-N 3.46Š|
| 88 | G | 48.3 | Very low | 55.6 | Low | 64 Ų | 64 | 128.7 Ų | 128.7 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | | | trans | -123.3 | 10.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 89 | A | 45.5 | Very low | 54.5 | Low | 93 Ų | 93 | 128 Ų | 128 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | 49.7 | 98.3 | 175 | 0 | 0 | 0 | 0 | 0 | 117.5 | R91 | A89-R91 PolarHBondContact O-N 2.98Š|
| 90 | V | 52.6 | Low | 54.3 | Low | 151 Ų | 151 | 125.9 Ų | 125.9 | 92% | 0.915 | 80% | 0.795 | S | S | * | * | | | trans | -48.8 | 134.8 | 168.6 | -76.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 91 | R | 55.6 | Low | 54 | Low | 239 Ų | 239 | 123.7 Ų | 123.7 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | | | trans | -108.8 | 113.8 | 155.3 | -72.5 | -164 | 175.6 | -79.9 | -1.2 | 109 | A89 | A89-R91 PolarHBondContact O-N 2.98Š|
| 92 | A | 50.2 | Low | 54.2 | Low | 112 Ų | 112 | 126.9 Ų | 126.9 | 93% | 0.926 | 80% | 0.8 | S | S | * | * | | | trans | -66.9 | 134.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 93 | G | 44 | Very low | 54.1 | Low | 78 Ų | 78 | 120.4 Ų | 120.4 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -174.6 | 48 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 94 | D | 47.4 | Very low | 53.9 | Low | 157 Ų | 157 | 123.5 Ų | 123.5 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | | | trans | -65.9 | 166.6 | 172.9 | -108.2 | -39.5 | 0 | 0 | 0 | 112.4 | | |
| 95 | P | 54.3 | Low | 53.6 | Low | 119 Ų | 119 | 121.4 Ų | 121.4 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | cis | -130.4 | 177.5 | -3.4 | 37.5 | -19.4 | 0 | 0 | 0 | 116.1 | | |
| 96 | A | 48.2 | Very low | 53.6 | Low | 86 Ų | 86 | 123.8 Ų | 123.8 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | | | trans | -49.5 | 148.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 97 | T | 49 | Very low | 53.6 | Low | 134 Ų | 134 | 124.8 Ų | 124.8 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | | | trans | -146.2 | 124.7 | 136.1 | -77 | 0 | 0 | 0 | 0 | 109.7 | A99 | T97-A99 VanDerWaalsContact C-N 3.35Å; T97-A99 PolarHBondContact O-N 3.14Å |
| 98 | T | 59 | Low | 53.9 | Low | 135 Ų | 135 | 130.2 Ų | 130.2 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | | | trans | -71.7 | 85.7 | 177.3 | -53.9 | 0 | 0 | 0 | 0 | 110.6 | A100 | T98-A100 PolarHBondContact O-N 3.12Š|
| 99 | A | 49.7 | Very low | 54.5 | Low | 92 Ų | 92 | 130.2 Ų | 130.2 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | | | trans | -72.2 | 91.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110 | T97 | T97-A99 VanDerWaalsContact C-N 3.35Å; T97-A99 PolarHBondContact O-N 3.14Å |
| 100 | A | 61.9 | Low | 55.2 | Low | 72 Ų | 72 | 130.3 Ų | 130.3 | 60% | 0.595 | 77% | 0.774 | S | S | * | * | | | trans | -55.2 | 146.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T98 R102 | T98-A100 PolarHBondContact O-N 3.12Å; A100-R102 PolarHBondContact O-N 3.38Å |
| 101 | P | 58.8 | Low | 55.3 | Low | 128 Ų | 128 | 129.3 Ų | 129.3 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | | | trans | -67.4 | 92 | -173.3 | 26.6 | -35.2 | 0 | 0 | 0 | 112.6 | G103 | P101-G103 PolarHBondContact O-N 3.19Å; P101-G103 VanDerWaalsContact O-N 3.12Å |
| 102 | R | 66.6 | Low | 55.4 | Low | 251 Ų | 251 | 122 Ų | 122 | 95% | 0.947 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 101.6 | 167.6 | -73.1 | 176.2 | 163.4 | 143.9 | -5.5 | 109.2 | A100 | A100-R102 PolarHBondContact O-N 3.38Š|
| 103 | G | 57.7 | Low | 56 | Low | 51 Ų | 51 | 122.4 Ų | 122.4 | 53% | 0.526 | 72% | 0.724 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -172.2 | -36.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | P101 C105 | P101-G103 PolarHBondContact O-N 3.19Å; P101-G103 VanDerWaalsContact O-N 3.12Å; G103-C105 PolarHBondContact O-N 3.36Å |
| 104 | L | 55.5 | Low | 56.7 | Low | 156 Ų | 156 | 124.4 Ų | 124.4 | 82% | 0.817 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 1.4 | -172.4 | -63 | 179.3 | 0 | 0 | 0 | 115.5 | | |
| 105 | C | 56.8 | Low | 57.3 | Low | 112 Ų | 112 | 123.3 Ų | 123.3 | 76% | 0.757 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -24.3 | -175.9 | -57.7 | 0 | 0 | 0 | 0 | 114.4 | G103 | G103-C105 PolarHBondContact O-N 3.36Š|
| 106 | L | 58.3 | Low | 57.6 | Low | 156 Ų | 156 | 124.4 Ų | 124.4 | 82% | 0.817 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -83.2 | -14.5 | -169.9 | -64.5 | 178.9 | 0 | 0 | 0 | 114.9 | | |
| 107 | L | 55.2 | Low | 58.1 | Low | 159 Ų | 159 | 126.9 Ų | 126.9 | 83% | 0.832 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -91.1 | 0.5 | -178.1 | -69.7 | 168.1 | 0 | 0 | 0 | 114 | | |
| 108 | R | 57.1 | Low | 58.6 | Low | 189 Ų | 189 | 125.2 Ų | 125.2 | 71% | 0.713 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -103.1 | 17.6 | -178.1 | -150.2 | -168.7 | 178.1 | -171.8 | -1.6 | 114.1 | L112 | R108-L112 HydrophobicContact CG-CD1 4.16Š|
| 109 | A | 61 | Low | 58.6 | Low | 64 Ų | 64 | 122.1 Ų | 122.1 | 53% | 0.529 | 68% | 0.678 | S | S | . | * | S | Bend | trans | -77.7 | -55.6 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | L111 L112 Q113 | A109-L111 PolarHBondContact O-N 3.32Å; A109-L112 PolarHBondContact O-N 2.81Å; A109-Q113 PolarHBondContact O-N 3.09Å |
| 110 | P | 60.3 | Low | 59 | Low | 95 Ų | 95 | 124.5 Ų | 124.5 | 62% | 0.617 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -64.9 | -46.4 | -162.3 | 22.7 | -33.1 | 0 | 0 | 0 | 113.9 | L112 Q113 E114 | P110-L112 PolarHBondContact O-N 3.39Å; P110-Q113 WeakPolarHBondContact O-CB 2.95Å; P110-Q113 PolarHBondContact O-N 2.8Å; P110-E114 PolarHBondContact O-N 2.84Å |
| 111 | L | 55.2 | Low | 58.6 | Low | 130 Ų | 130 | 125.7 Ų | 125.7 | 68% | 0.681 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -68.9 | -16.2 | -179.2 | -79.6 | 165.6 | 0 | 0 | 0 | 114.5 | A109 M115 | A109-L111 PolarHBondContact O-N 3.32Å; L111-M115 VanDerWaalsContact O-CG 3.24Å; L111-M115 WeakPolarHBondContact O-CG 3.45Å |
| 112 | L | 57.9 | Low | 58.3 | Low | 86 Ų | 86 | 125.8 Ų | 125.8 | 45% | 0.45 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -93.8 | -20.7 | 174.3 | -72.9 | 176.3 | 0 | 0 | 0 | 112.6 | R108 A109 P110 Q116 | R108-L112 HydrophobicContact CG-CD1 4.16Å; A109-L112 PolarHBondContact O-N 2.81Å; P110-L112 PolarHBondContact O-N 3.39Å; L112-Q116 WeakPolarHBondContact O-CB 3.4Å; L112-Q116 PolarHBondContact O-N 2.8Å |
| 113 | Q | 61.4 | Low | 57.8 | Low | 120 Ų | 120 | 118.4 Ų | 118.4 | 56% | 0.561 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -65.3 | -54.6 | 172.4 | -170.9 | 71.8 | 43 | 0 | 0 | 110.3 | A109 P110 M115 Q116 E117 | A109-Q113 PolarHBondContact O-N 3.09Å; P110-Q113 WeakPolarHBondContact O-CB 2.95Å; P110-Q113 PolarHBondContact O-N 2.8Å; Q113-M115 PolarHBondContact O-N 2.68Å; Q113-Q116 PolarHBondContact O-N 3.27Å; Q113-Q116 VanDerWaalsContact O-N 3.08Å; Q113-E117 PolarHBondContact O-N 2.63Å |
| 114 | E | 58.7 | Low | 57.5 | Low | 121 Ų | 121 | 124.3 Ų | 124.3 | 57% | 0.565 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -56.2 | -46.7 | -179.6 | -174.6 | -165.4 | 113.1 | 0 | 0 | 112.6 | P110 Q116 E117 S118 | P110-E114 PolarHBondContact O-N 2.84Å; E114-Q116 VanDerWaalsContact C-N 3.26Å; E114-Q116 PolarHBondContact O-N 2.94Å; E114-E117 PolarHBondContact O-N 2.77Å; E114-S118 WeakPolarHBondContact O-CB 2.94Å; E114-S118 PolarHBondContact O-N 3.18Å; E114-S118 PolarHBondContact O-OG 3.05Å |
| 115 | M | 60.2 | Low | 57.5 | Low | 134 Ų | 134 | 123.7 Ų | 123.7 | 66% | 0.66 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -63.2 | -28.2 | 178 | -72.6 | -82.3 | -64.3 | 0 | 0 | 113.5 | L111 Q113 | L111-M115 VanDerWaalsContact O-CG 3.24Å; L111-M115 WeakPolarHBondContact O-CG 3.45Å; Q113-M115 PolarHBondContact O-N 2.68Å |
| 116 | Q | 60.8 | Low | 57.1 | Low | 142 Ų | 142 | 121.1 Ų | 121.1 | 66% | 0.664 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -87.1 | -36.1 | 178.9 | -170.5 | 172.7 | 116.7 | 0 | 0 | 111.9 | L112 Q113 E114 A119 | L112-Q116 WeakPolarHBondContact O-CB 3.4Å; L112-Q116 PolarHBondContact O-N 2.8Å; Q113-Q116 PolarHBondContact O-N 3.27Å; Q113-Q116 VanDerWaalsContact O-N 3.08Å; E114-Q116 VanDerWaalsContact C-N 3.26Å; E114-Q116 PolarHBondContact O-N 2.94Å; Q116-A119 PolarHBondContact O-N 3.3Å |
| 117 | E | 58 | Low | 56.8 | Low | 137 Ų | 137 | 118.3 Ų | 118.3 | 64% | 0.64 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -64.2 | -42.5 | 174.6 | -160.5 | 159 | 107.5 | 0 | 0 | 110.8 | Q113 E114 A119 Q120 | Q113-E117 PolarHBondContact O-N 2.63Å; E114-E117 PolarHBondContact O-N 2.77Å; E117-A119 PolarHBondContact O-N 3.07Å; E117-A119 VanDerWaalsContact O-N 3.12Å; E117-Q120 PolarHBondContact O-N 2.87Å; E117-Q120 VanDerWaalsContact O-N 3.14Å |
| 118 | S | 60 | Low | 56.4 | Low | 99 Ų | 99 | 118 Ų | 118 | 69% | 0.692 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -13.5 | 174.1 | -57.1 | 0 | 0 | 0 | 0 | 114.5 | E114 | E114-S118 WeakPolarHBondContact O-CB 2.94Å; E114-S118 PolarHBondContact O-N 3.18Å; E114-S118 PolarHBondContact O-OG 3.05Å |
| 119 | A | 59.1 | Low | 56.5 | Low | 71 Ų | 71 | 121.3 Ų | 121.3 | 59% | 0.587 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q116 E117 | Q116-A119 PolarHBondContact O-N 3.3Å; E117-A119 PolarHBondContact O-N 3.07Å; E117-A119 VanDerWaalsContact O-N 3.12Å |
| 120 | Q | 58.6 | Low | 56.2 | Low | 142 Ų | 142 | 123 Ų | 123 | 66% | 0.664 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -80.5 | 120.1 | 167 | -69.7 | -66.8 | -77.4 | 0 | 0 | 109.2 | E117 | E117-Q120 PolarHBondContact O-N 2.87Å; E117-Q120 VanDerWaalsContact O-N 3.14Å |
| 121 | P | 53.1 | Low | 55.6 | Low | 97 Ų | 97 | 122 Ų | 122 | 63% | 0.63 | 71% | 0.706 | S | S | * | * | | | trans | -64.3 | 148.5 | 166.6 | 29.5 | -33.9 | 0 | 0 | 0 | 109 | S123 | P121-S123 VanDerWaalsContact C-N 3.28Å; P121-S123 PolarHBondContact O-N 2.77Å |
| 122 | P | 52.9 | Low | 55.5 | Low | 130 Ų | 130 | 121.4 Ų | 121.4 | 84% | 0.844 | 71% | 0.713 | S | S | * | * | | | trans | -68.9 | 86.4 | 177.6 | 28.7 | -34.8 | 0 | 0 | 0 | 110.2 | L124 | P122-L124 PolarHBondContact O-N 3.24Š|
| 123 | S | 56.1 | Low | 55.4 | Low | 96 Ų | 96 | 123.4 Ų | 123.4 | 67% | 0.671 | 73% | 0.731 | S | S | * | * | | | trans | -60.6 | 124.3 | 167.5 | 55.9 | 0 | 0 | 0 | 0 | 108.1 | P121 C125 | P121-S123 VanDerWaalsContact C-N 3.28Å; P121-S123 PolarHBondContact O-N 2.77Å; S123-C125 PolarHBondContact O-N 3.42Å |
| 124 | L | 51.8 | Low | 54.8 | Low | 174 Ų | 174 | 121.4 Ų | 121.4 | 91% | 0.911 | 74% | 0.742 | S | S | * | * | | | trans | -50.3 | 106.9 | -170.5 | -77.6 | 143.9 | 0 | 0 | 0 | 112 | P122 G126 | P122-L124 PolarHBondContact O-N 3.24Å; L124-G126 PolarHBondContact O-N 3.44Å |
| 125 | C | 54 | Low | 54.6 | Low | 143 Ų | 143 | 122 Ų | 122 | 97% | 0.966 | 76% | 0.759 | S | S | * | * | | | trans | -71.8 | 67.9 | 171.3 | -75.9 | 0 | 0 | 0 | 0 | 110.9 | S123 | S123-C125 PolarHBondContact O-N 3.42Š|
| 126 | G | 50.3 | Low | 53.9 | Low | 58 Ų | 58 | 122.8 Ų | 122.8 | 60% | 0.598 | 80% | 0.802 | S | S | * | * | | | trans | -147.7 | 94.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L124 | L124-G126 PolarHBondContact O-N 3.44Š|
| 127 | A | 51.3 | Low | 53.6 | Low | 97 Ų | 97 | 121.9 Ų | 121.9 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | | | trans | 61.3 | 141.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 128 | L | 47.3 | Very low | 53.3 | Low | 152 Ų | 152 | 121.1 Ų | 121.1 | 80% | 0.796 | 82% | 0.818 | S | S | * | * | | | cis | -134.3 | 150.8 | 29 | -71.1 | 156.9 | 0 | 0 | 0 | 112.6 | S130 | L128-S130 PolarHBondContact O-N 3.04Š|
| 129 | R | 57.4 | Low | 53 | Low | 260 Ų | 260 | 122.3 Ų | 122.3 | 98% | 0.981 | 83% | 0.825 | S | S | * | * | | | trans | -78.5 | 107.5 | 153.5 | -82.3 | 176.2 | 162.1 | -107.9 | 1.5 | 108.1 | | |
| 130 | S | 55.1 | Low | 52.6 | Low | 99 Ų | 99 | 125.3 Ų | 125.3 | 69% | 0.692 | 84% | 0.839 | S | S | * | * | | | trans | -139.5 | 113.4 | 176.5 | 58.3 | 0 | 0 | 0 | 0 | 112.6 | L128 | L128-S130 PolarHBondContact O-N 3.04Š|
| 131 | G | 48.8 | Very low | 52.2 | Low | 75 Ų | 75 | 124.3 Ų | 124.3 | 77% | 0.773 | 85% | 0.85 | S | S | * | * | | | trans | 70.9 | 93.6 | 158.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 132 | S | 52.3 | Low | 52.2 | Low | 117 Ų | 117 | 126.1 Ų | 126.1 | 82% | 0.818 | 87% | 0.865 | S | S | * | * | | | trans | -69.7 | 134.5 | 146 | -57.7 | 0 | 0 | 0 | 0 | 108.5 | G134 | S132-G134 PolarHBondContact O-N 3.15Å; S132-G134 VanDerWaalsContact O-N 3.1Å |
| 133 | P | 56.5 | Low | 52.1 | Low | 128 Ų | 128 | 125.8 Ų | 125.8 | 83% | 0.831 | 87% | 0.866 | S | S | * | * | | | trans | -70.7 | 105.9 | 169.7 | 28.9 | -32.1 | 0 | 0 | 0 | 109.1 | | |
| 134 | G | 48.4 | Very low | 51.8 | Low | 77 Ų | 77 | 128.1 Ų | 128.1 | 79% | 0.794 | 88% | 0.882 | S | S | * | * | | | trans | -77.6 | 118.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | S132 | S132-G134 PolarHBondContact O-N 3.15Å; S132-G134 VanDerWaalsContact O-N 3.1Å |
| 135 | S | 54.5 | Low | 51.8 | Low | 133 Ų | 133 | 124.3 Ų | 124.3 | 93% | 0.93 | 88% | 0.879 | S | S | * | * | | | trans | -73.2 | 126 | 168.4 | -57.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 136 | G | 45.7 | Very low | 51.6 | Low | 152 Ų | 152 | 122.5 Ų | 122.5 | 100% | 1.567 | 87% | 0.871 | S | S | * | * | | | trans | -171.9 | 0 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |