| 1 | M | 47.3 | Very low | 55.8 | Low | 232 Ų | 232 | 157.1 Ų | 157.1 | 100% | 1.143 | 84% | 0.837 | S | S | * | * | | | | 0 | 144.8 | 0 | -68.1 | -161.8 | -152.2 | 0 | 0 | 107.6 | | |
| 2 | N | 55.6 | Low | 56.3 | Low | 157 Ų | 157 | 155.1 Ų | 155.1 | 84% | 0.84 | 84% | 0.836 | S | S | * | * | | | trans | 143.7 | 81.5 | 151.2 | -62 | -12.6 | 0 | 0 | 0 | 109.8 | | |
| 3 | E | 59 | Low | 56.9 | Low | 189 Ų | 189 | 160.2 Ų | 160.2 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 135.3 | 165 | -66.2 | -73.5 | 135.7 | 0 | 0 | 109.1 | | |
| 4 | P | 57.4 | Low | 57.3 | Low | 119 Ų | 119 | 157.4 Ų | 157.4 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 137.4 | 165.6 | 31.5 | -28.2 | 0 | 0 | 0 | 111.4 | | |
| 5 | A | 59.5 | Low | 58.1 | Low | 97 Ų | 97 | 155.1 Ų | 155.1 | 80% | 0.802 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 141.5 | -170 | 0 | 0 | 0 | 0 | 0 | 114.5 | H7 | A5-H7 PolarHBondContact O-N 3Å; A5-H7 VanDerWaalsContact O-N 3.07Å |
| 6 | K | 54.4 | Low | 59 | Low | 204 Ų | 204 | 155.7 Ų | 155.7 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | | | trans | -55.5 | 105.1 | 172.2 | -63.4 | 162.2 | -177.9 | 174.8 | 0 | 110.1 | R8 | K6-R8 PolarHBondContact O-N 2.82Š|
| 7 | H | 55.6 | Low | 59.4 | Low | 156 Ų | 156 | 152.4 Ų | 152.4 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | | | trans | -75.2 | 84.2 | 164.1 | 67.8 | -74.9 | 0 | 0 | 0 | 107.6 | A5 L9 | A5-H7 PolarHBondContact O-N 3Å; A5-H7 VanDerWaalsContact O-N 3.07Å; H7-L9 VanDerWaalsContact C-N 3.26Å; H7-L9 PolarHBondContact O-N 3.27Å |
| 8 | R | 60.6 | Low | 60 | Low | 239 Ų | 239 | 151.4 Ų | 151.4 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | | | trans | -71.8 | 88.3 | 173 | -164.1 | -178 | -177.4 | -168.6 | 0.4 | 106.8 | K6 G10 | K6-R8 PolarHBondContact O-N 2.82Å; R8-G10 VanDerWaalsContact C-N 3.32Å; R8-G10 PolarHBondContact O-N 3.14Å |
| 9 | L | 60.9 | Low | 60.7 | Low | 144 Ų | 144 | 150.4 Ų | 150.4 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | | | trans | -59.9 | 98.9 | 169 | -67.2 | 165.8 | 0 | 0 | 0 | 106.8 | H7 C11 | H7-L9 VanDerWaalsContact C-N 3.26Å; H7-L9 PolarHBondContact O-N 3.27Å; L9-C11 PolarHBondContact O-N 3.17Å; L9-C11 VanDerWaalsContact O-N 3.16Å |
| 10 | G | 49.5 | Very low | 61.4 | Low | 61 Ų | 61 | 153.6 Ų | 153.6 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | | | trans | -65.2 | 112.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | R8 T12 | R8-G10 VanDerWaalsContact C-N 3.32Å; R8-G10 PolarHBondContact O-N 3.14Å; G10-T12 VanDerWaalsContact C-N 3.35Å; G10-T12 PolarHBondContact O-N 3.3Å |
| 11 | C | 53.9 | Low | 62.1 | Low | 130 Ų | 130 | 153.6 Ų | 153.6 | 88% | 0.878 | 80% | 0.802 | S | S | * | * | | | trans | -57.1 | 103.7 | 162.7 | -75.8 | 0 | 0 | 0 | 0 | 107.4 | L9 R13 | L9-C11 PolarHBondContact O-N 3.17Å; L9-C11 VanDerWaalsContact O-N 3.16Å; C11-R13 VanDerWaalsContact C-N 3.33Å; C11-R13 PolarHBondContact O-N 2.73Å |
| 12 | T | 61.4 | Low | 63.7 | Low | 133 Ų | 133 | 153.9 Ų | 153.9 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | | | trans | -65.3 | 100.7 | 167.4 | 45.1 | 0 | 0 | 0 | 0 | 106.7 | G10 T14 | G10-T12 VanDerWaalsContact C-N 3.35Å; G10-T12 PolarHBondContact O-N 3.3Å; T12-T14 PolarHBondContact O-N 2.99Å; T12-T14 VanDerWaalsContact O-N 3.09Å |
| 13 | R | 64.3 | Low | 64.9 | Low | 222 Ų | 222 | 155.1 Ų | 155.1 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | trans | -50.9 | 112.4 | 173.3 | -170.2 | 177.7 | -177.9 | -169 | -1 | 107.8 | C11 | C11-R13 VanDerWaalsContact C-N 3.33Å; C11-R13 PolarHBondContact O-N 2.73Å |
| 14 | T | 62.6 | Low | 65.8 | Low | 120 Ų | 120 | 148.9 Ų | 148.9 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 137.1 | 169.3 | 43.9 | 0 | 0 | 0 | 0 | 108.2 | T12 E16 | T12-T14 PolarHBondContact O-N 2.99Å; T12-T14 VanDerWaalsContact O-N 3.09Å; T14-E16 PolarHBondContact O-N 3.26Å |
| 15 | P | 69.8 | Low | 66.4 | Low | 123 Ų | 123 | 151.3 Ų | 151.3 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 126.1 | 173.5 | -18.4 | 30 | 0 | 0 | 0 | 109 | | |
| 16 | E | 72 | Confident | 67 | Low | 165 Ų | 165 | 153 Ų | 153 | 77% | 0.771 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 125.6 | 174.5 | -172.1 | 175.4 | 166.9 | 0 | 0 | 108.6 | T14 D18 | T14-E16 PolarHBondContact O-N 3.26Å; E16-D18 PolarHBondContact O-N 2.87Å |
| 17 | P | 65.4 | Low | 67.7 | Low | 100 Ų | 100 | 149.8 Ų | 149.8 | 65% | 0.649 | 76% | 0.758 | S | S | * | * | | | trans | -71.5 | 113.4 | 177 | 28.2 | -32 | 0 | 0 | 0 | 109.1 | I19 | P17-I19 VanDerWaalsContact C-N 3.25Å; P17-I19 PolarHBondContact O-N 2.73Å |
| 18 | D | 70.3 | Confident | 68.1 | Low | 135 Ų | 135 | 148.2 Ų | 148.2 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | | | trans | -77 | 76.7 | 178.3 | -167.1 | 21.1 | 0 | 0 | 0 | 110.2 | E16 R20 | E16-D18 PolarHBondContact O-N 2.87Å; D18-R20 PolarHBondContact O-N 2.93Å; D18-R20 VanDerWaalsContact O-N 3.07Å |
| 19 | I | 73.1 | Confident | 68 | Low | 132 Ų | 132 | 144.6 Ų | 144.6 | 68% | 0.677 | 75% | 0.754 | S | S | * | * | | | trans | -78.9 | 86.3 | 175.6 | 51.2 | 160.9 | 0 | 0 | 0 | 110.1 | P17 L21 | P17-I19 VanDerWaalsContact C-N 3.25Å; P17-I19 PolarHBondContact O-N 2.73Å; I19-L21 PolarHBondContact O-N 3.37Å |
| 20 | R | 75.6 | Confident | 67.7 | Low | 213 Ų | 213 | 143.7 Ų | 143.7 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | | | trans | -74.1 | 91.6 | 174.7 | -67 | 175.6 | 60.8 | -141.6 | -1.9 | 110.4 | D18 R22 | D18-R20 PolarHBondContact O-N 2.93Å; D18-R20 VanDerWaalsContact O-N 3.07Å; R20-R22 PolarHBondContact O-N 3.38Å |
| 21 | L | 76.7 | Confident | 68.3 | Low | 155 Ų | 155 | 152.4 Ų | 152.4 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 122 | 172.1 | -60.9 | 178.8 | 0 | 0 | 0 | 109.9 | I19 | I19-L21 PolarHBondContact O-N 3.37Š|
| 22 | R | 80.1 | Confident | 68.4 | Low | 238 Ų | 238 | 149.6 Ų | 149.6 | 90% | 0.898 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 132.3 | 176.5 | 75 | -174.6 | -150.2 | -175.3 | 6.7 | 109.9 | R20 G24 | R20-R22 PolarHBondContact O-N 3.38Å; R22-G24 PolarHBondContact O-N 3.44Å |
| 23 | K | 81.8 | Confident | 68 | Low | 182 Ų | 182 | 149.2 Ų | 149.2 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 124.7 | 174.5 | -172.5 | 166.7 | 176.9 | -176.3 | 0 | 109.2 | | |
| 24 | G | 77.3 | Confident | 67.8 | Low | 59 Ų | 59 | 145.3 Ų | 145.3 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 159.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R22 Q26 | R22-G24 PolarHBondContact O-N 3.44Å; G24-Q26 PolarHBondContact O-N 3.04Å |
| 25 | H | 70.4 | Confident | 67.6 | Low | 169 Ų | 169 | 146.6 Ų | 146.6 | 78% | 0.782 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 119.7 | -177.6 | -171.9 | 63.2 | 0 | 0 | 0 | 110.9 | | |
| 26 | Q | 71.3 | Confident | 67.2 | Low | 132 Ų | 132 | 147.6 Ų | 147.6 | 62% | 0.617 | 76% | 0.761 | S | S | * | * | | | trans | -86.3 | 110 | 172.7 | -167.7 | -179.7 | 16.1 | 0 | 0 | 106.6 | G24 D28 | G24-Q26 PolarHBondContact O-N 3.04Å; Q26-D28 PolarHBondContact O-N 3.02Å; Q26-D28 VanDerWaalsContact O-N 3.14Å |
| 27 | L | 68.8 | Low | 66.3 | Low | 137 Ų | 137 | 146.8 Ų | 146.8 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | | | trans | -69 | 108.5 | 166.3 | -68.7 | 173.6 | 0 | 0 | 0 | 106.2 | D29 | L27-D29 PolarHBondContact O-N 2.89Å; L27-D29 VanDerWaalsContact O-N 3.17Å |
| 28 | D | 63.5 | Low | 66 | Low | 123 Ų | 123 | 152 Ų | 152 | 66% | 0.658 | 77% | 0.77 | S | S | * | * | | | trans | -66.4 | 110.8 | 171.3 | -77 | -41.1 | 0 | 0 | 0 | 107.8 | Q26 T30 | Q26-D28 PolarHBondContact O-N 3.02Å; Q26-D28 VanDerWaalsContact O-N 3.14Å; D28-T30 PolarHBondContact O-N 3.07Å |
| 29 | D | 60.1 | Low | 65 | Low | 163 Ų | 163 | 154.6 Ų | 154.6 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | | | trans | -64.9 | 72.4 | 165 | -75.9 | -48.7 | 0 | 0 | 0 | 109.1 | L27 R31 | L27-D29 PolarHBondContact O-N 2.89Å; L27-D29 VanDerWaalsContact O-N 3.17Å; D29-R31 PolarHBondContact O-N 3.36Å |
| 30 | T | 54.7 | Low | 63.7 | Low | 126 Ų | 126 | 151.6 Ų | 151.6 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | trans | -80.6 | 85.6 | 168.8 | -53.2 | 0 | 0 | 0 | 0 | 107.7 | D28 G32 | D28-T30 PolarHBondContact O-N 3.07Å; T30-G32 PolarHBondContact O-N 2.99Å |
| 31 | R | 60.7 | Low | 62.6 | Low | 243 Ų | 243 | 148.2 Ų | 148.2 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | | | trans | -37.8 | 119.2 | 158.9 | 172 | 179.8 | 160.7 | -146.9 | -3.2 | 111.3 | D29 | D29-R31 PolarHBondContact O-N 3.36Š|
| 32 | G | 55.8 | Low | 61.5 | Low | 72 Ų | 72 | 148 Ų | 148 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | | | trans | 138 | 101.6 | 149 | 0 | 0 | 0 | 0 | 0 | 116.4 | T30 | T30-G32 PolarHBondContact O-N 2.99Š|
| 33 | S | 54.1 | Low | 60.1 | Low | 125 Ų | 125 | 144.2 Ų | 144.2 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | | | trans | -162.1 | 131.9 | 135 | -161.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 34 | N | 59.6 | Low | 58.1 | Low | 140 Ų | 140 | 141.3 Ų | 141.3 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | | | trans | -85.5 | 141.6 | -175 | -66.8 | -41.4 | 0 | 0 | 0 | 112.1 | | |
| 35 | N | 58.4 | Low | 56.7 | Low | 146 Ų | 146 | 141.7 Ų | 141.7 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | | | trans | 59.1 | 155 | 151 | -56.6 | -35 | 0 | 0 | 0 | 117.1 | | |
| 36 | D | 60.8 | Low | 55.5 | Low | 144 Ų | 144 | 140.1 Ų | 140.1 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | | | cis | -167.3 | 158.6 | 16.5 | 24.7 | -72.6 | 0 | 0 | 0 | 111.5 | | |
| 37 | N | 54.5 | Low | 54 | Low | 148 Ų | 148 | 141.2 Ų | 141.2 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | trans | 86.9 | 141 | 147 | -137.9 | -6.5 | 0 | 0 | 0 | 122 | | |
| 38 | Y | 57.5 | Low | 53.1 | Low | 210 Ų | 210 | 140.6 Ų | 140.6 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | | | trans | -84.4 | 157.9 | -160.2 | -64.4 | -97.1 | 0 | 0 | 0 | 116.2 | | |
| 39 | Q | 50.3 | Low | 52.3 | Low | 190 Ų | 190 | 140.8 Ų | 140.8 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | | | | 129.3 | 123.6 | 128.6 | -157.9 | 87.1 | 8.3 | 0 | 0 | 115.9 | | |
| 40 | G | 45.8 | Very low | 51.7 | Low | 69 Ų | 69 | 139.4 Ų | 139.4 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | | | trans | 145 | 61.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 41 | D | 53.1 | Low | 50.8 | Low | 142 Ų | 142 | 139 Ų | 139 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | | | | 67.3 | 96.2 | 98.1 | -162.1 | 25.1 | 0 | 0 | 0 | 113.9 | | |
| 42 | L | 53 | Low | 50.1 | Low | 149 Ų | 149 | 131.8 Ų | 131.8 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | | | | 163.3 | 93.6 | 122.4 | -81.3 | 170 | 0 | 0 | 0 | 108.8 | | |
| 43 | E | 51.8 | Low | 50.2 | Low | 160 Ų | 160 | 133.2 Ų | 133.2 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | trans | -80.7 | 136.2 | 159.1 | -115 | -92.3 | 140.9 | 0 | 0 | 107.5 | S45 | E43-S45 VanDerWaalsContact OE2-CA 3.25Å; E43-S45 WeakPolarHBondContact OE2-CA 3.31Å; E43-S45 VanDerWaalsContact OE2-CB 3.31Å; E43-S45 WeakPolarHBondContact OE2-CB 3.25Å; E43-S45 PolarHBondContact OE2-N 2.83Å |
| 44 | P | 39.7 | Very low | 49.6 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | | | trans | -121.5 | 105.5 | 131.3 | -1.4 | 21.9 | 0 | 0 | 0 | 110.7 | | |
| 45 | S | 47.7 | Very low | 49.1 | Very low | 68 Ų | 68 | 139.8 Ų | 139.8 | 48% | 0.476 | 76% | 0.756 | S | S | . | * | | | trans | -36.4 | 162.3 | 151.7 | 59.1 | 0 | 0 | 0 | 0 | 114.8 | E43 | E43-S45 VanDerWaalsContact OE2-CA 3.25Å; E43-S45 WeakPolarHBondContact OE2-CA 3.31Å; E43-S45 VanDerWaalsContact OE2-CB 3.31Å; E43-S45 WeakPolarHBondContact OE2-CB 3.25Å; E43-S45 PolarHBondContact OE2-N 2.83Å |
| 46 | L | 43.9 | Very low | 48.6 | Very low | 135 Ų | 135 | 141 Ų | 141 | 71% | 0.707 | 76% | 0.757 | S | S | * | * | | | trans | 88.9 | 128.8 | 159.4 | -48.6 | -177.9 | 0 | 0 | 0 | 112.7 | | |
| 47 | E | 40.9 | Very low | 47.9 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | | | cis | -172.4 | 146.3 | 15 | -109.2 | 153.3 | -165.8 | 0 | 0 | 105 | P49 | E47-P49 VanDerWaalsContact O-CD 3.32Å; E47-P49 WeakPolarHBondContact O-CD 3.32Å |
| 48 | T | 48.6 | Very low | 47.1 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 76% | 0.761 | 76% | 0.757 | S | S | * | * | | | trans | -61.5 | 121.4 | 163.8 | 48.4 | 0 | 0 | 0 | 0 | 108.8 | V50 | T48-V50 VanDerWaalsContact C-N 3.32Å; T48-V50 PolarHBondContact O-N 3.19Å |
| 49 | P | 46.5 | Very low | 46.9 | Very low | 128 Ų | 128 | 135 Ų | 135 | 83% | 0.831 | 75% | 0.753 | S | S | * | * | | | trans | -77.2 | 92 | 171.4 | 30.4 | -29.4 | 0 | 0 | 0 | 107.9 | E47 | E47-P49 VanDerWaalsContact O-CD 3.32Å; E47-P49 WeakPolarHBondContact O-CD 3.32Å |
| 50 | V | 48.4 | Very low | 46.5 | Very low | 134 Ų | 134 | 134 Ų | 134 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | | | trans | -86.9 | 103.2 | 149.7 | 179.1 | 0 | 0 | 0 | 0 | 105.9 | T48 | T48-V50 VanDerWaalsContact C-N 3.32Å; T48-V50 PolarHBondContact O-N 3.19Å |
| 51 | C | 35.1 | Very low | 46.1 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 78% | 0.784 | 76% | 0.755 | S | S | * | * | | | trans | -149.4 | 98.3 | 161 | -136 | 0 | 0 | 0 | 0 | 106.5 | | |
| 52 | S | 46.1 | Very low | 45.8 | Very low | 93 Ų | 93 | 138.9 Ų | 138.9 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | | | | 88.8 | 116 | 84.8 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 53 | S | 59.6 | Low | 45.2 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | | | trans | -50.5 | 133.3 | 177.4 | 53.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 54 | Y | 40.5 | Very low | 45.1 | Very low | 185 Ų | 185 | 139.4 Ų | 139.4 | 73% | 0.725 | 77% | 0.771 | S | S | * | * | | | | -168.3 | 130.7 | 129.2 | 55.5 | -82.6 | 0 | 0 | 0 | 108.7 | | |
| 55 | Y | 49.8 | Very low | 45.3 | Very low | 218 Ų | 218 | 142 Ų | 142 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | | | trans | -75.5 | 120.6 | 173.4 | 16.3 | -97.1 | 0 | 0 | 0 | 108.4 | | |
| 56 | E | 47.3 | Very low | 45.1 | Very low | 171 Ų | 171 | 145.3 Ų | 145.3 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | | | trans | -131.7 | 118.6 | 160.7 | -138.1 | 177.9 | 170.3 | 0 | 0 | 108.8 | | |
| 57 | N | 45.3 | Very low | 45.4 | Very low | 161 Ų | 161 | 146.1 Ų | 146.1 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | | | trans | -74.6 | 129.5 | 176.9 | -69 | -89.8 | 0 | 0 | 0 | 108.9 | | |
| 58 | S | 39.3 | Very low | 46 | Very low | 102 Ų | 102 | 145.9 Ų | 145.9 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | | | trans | -157.2 | 140.8 | 142.6 | -157.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 59 | P | 53.3 | Low | 46.4 | Very low | 112 Ų | 112 | 145 Ų | 145 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -106.2 | 125.7 | -173.1 | 35.7 | -23.2 | 0 | 0 | 0 | 112.2 | | |
| 60 | E | 40.6 | Very low | 46.9 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | trans | -171.5 | 116.6 | 159.1 | 37.3 | -149.1 | 152.1 | 0 | 0 | 113.1 | | |
| 61 | E | 38.8 | Very low | 47.3 | Very low | 183 Ų | 183 | 148 Ų | 148 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | | | trans | 55.2 | 110.3 | 143.7 | -49.6 | -155.5 | 125.3 | 0 | 0 | 121.2 | | |
| 62 | P | 46.8 | Very low | 48.3 | Very low | 132 Ų | 132 | 149 Ų | 149 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | | | trans | -90.1 | 102.6 | 146 | 31 | -25.1 | 0 | 0 | 0 | 110.2 | | |
| 63 | E | 39.7 | Very low | 48.8 | Very low | 191 Ų | 191 | 150.4 Ų | 150.4 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | | | trans | -64 | 133.4 | 165.1 | -169.2 | 169.9 | -171.4 | 0 | 0 | 109.9 | H65 | E63-H65 PolarHBondContact O-N 3.37Š|
| 64 | C | 49 | Very low | 49.1 | Very low | 129 Ų | 129 | 148.6 Ų | 148.6 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | | | trans | -62.4 | 122.2 | -166.4 | -48.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 65 | H | 44.8 | Very low | 49.7 | Very low | 175 Ų | 175 | 147.7 Ų | 147.7 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | | | trans | -100.6 | 102.2 | 169.3 | -174.1 | -60.5 | 0 | 0 | 0 | 110.8 | E63 | E63-H65 PolarHBondContact O-N 3.37Š|
| 66 | D | 43.6 | Very low | 50.3 | Low | 136 Ų | 136 | 145 Ų | 145 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | trans | 46.6 | 96.6 | 145 | -140.7 | 12.8 | 0 | 0 | 0 | 118.1 | N68 | D66-N68 PolarHBondContact O-N 3.25Š|
| 67 | D | 50.6 | Low | 51.4 | Low | 152 Ų | 152 | 139.4 Ų | 139.4 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -53.9 | 110.7 | 162.6 | -70.6 | -61.5 | 0 | 0 | 0 | 111.1 | | |
| 68 | N | 52.9 | Low | 52.1 | Low | 150 Ų | 150 | 136.6 Ų | 136.6 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | | | trans | -174.3 | 7.9 | 135.3 | -115.8 | 94.1 | 0 | 0 | 0 | 117.2 | D66 Q70 | D66-N68 PolarHBondContact O-N 3.25Å; N68-Q70 VanDerWaalsContact C-N 3.26Å; N68-Q70 PolarHBondContact O-N 2.81Å |
| 69 | S | 56.3 | Low | 53.5 | Low | 106 Ų | 106 | 134.9 Ų | 134.9 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | | | trans | -73.8 | 90.8 | 158 | 51.1 | 0 | 0 | 0 | 0 | 107.3 | E71 | S69-E71 PolarHBondContact O-N 3.17Š|
| 70 | Q | 57 | Low | 54.5 | Low | 174 Ų | 174 | 132.8 Ų | 132.8 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | | | trans | -55.5 | 91.6 | 165.2 | 179.3 | -177.2 | -16.8 | 0 | 0 | 106.9 | N68 D72 | N68-Q70 VanDerWaalsContact C-N 3.26Å; N68-Q70 PolarHBondContact O-N 2.81Å; Q70-D72 PolarHBondContact O-N 2.74Å |
| 71 | E | 57.3 | Low | 56 | Low | 150 Ų | 150 | 131.7 Ų | 131.7 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | | | trans | -67.8 | 87.4 | 169.2 | 48.3 | -175.4 | -167.6 | 0 | 0 | 106.7 | S69 E73 | S69-E71 PolarHBondContact O-N 3.17Å; E71-E73 WeakPolarHBondContact CA-OE2 2.94Å; E71-E73 HydrophobicContact CB-CB 4.2Å; E71-E73 WeakPolarHBondContact CB-OE2 2.99Å; E71-E73 PolarHBondContact O-N 3.48Å |
| 72 | D | 55.8 | Low | 57.4 | Low | 138 Ų | 138 | 126.5 Ų | 126.5 | 74% | 0.738 | 70% | 0.697 | S | S | * | * | | | trans | -70.5 | 29.3 | 156.5 | -164 | 31.2 | 0 | 0 | 0 | 110.2 | Q70 G74 | Q70-D72 PolarHBondContact O-N 2.74Å; D72-G74 PolarHBondContact O-N 3.31Å |
| 73 | E | 56.2 | Low | 58.9 | Low | 123 Ų | 123 | 125.9 Ų | 125.9 | 58% | 0.575 | 68% | 0.683 | S | S | * | * | | | trans | -66.7 | 22.2 | 155.4 | -79.7 | 74.5 | -167.5 | 0 | 0 | 112 | E71 F75 M76 | E71-E73 WeakPolarHBondContact CA-OE2 2.94Å; E71-E73 HydrophobicContact CB-CB 4.2Å; E71-E73 WeakPolarHBondContact CB-OE2 2.99Å; E71-E73 PolarHBondContact O-N 3.48Å; E73-F75 PolarHBondContact O-N 2.94Å; E73-M76 HydrophobicContact CG-CE 4.34Å; E73-M76 PolarHBondContact O-N 3.09Å |
| 74 | G | 65.8 | Low | 60.5 | Low | 64 Ų | 64 | 119 Ų | 119 | 66% | 0.66 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 44.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114 | D72 | D72-G74 PolarHBondContact O-N 3.31Š|
| 75 | F | 54.4 | Low | 61.8 | Low | 165 Ų | 165 | 118.2 Ų | 118.2 | 72% | 0.724 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.9 | 7 | 162.2 | -159.6 | -104.3 | 0 | 0 | 0 | 113.9 | E73 P80 | E73-F75 PolarHBondContact O-N 2.94Å; F75-P80 HydrophobicContact CE1-CG 3.9Å; F75-P80 HydrophobicContact CE2-CG 4.46Å; F75-P80 HydrophobicContact CZ-CG 3.53Å |
| 76 | M | 62.3 | Low | 63.1 | Low | 162 Ų | 162 | 113.2 Ų | 113.2 | 80% | 0.798 | 62% | 0.619 | S | S | * | * | | | trans | -99.9 | 23.3 | 173.8 | -69.9 | -164.1 | -46 | 0 | 0 | 113.1 | E73 M78 | E73-M76 HydrophobicContact CG-CE 4.34Å; E73-M76 PolarHBondContact O-N 3.09Å; M76-M78 PolarHBondContact O-N 2.99Å |
| 77 | G | 69.9 | Low | 64.6 | Low | 54 Ų | 54 | 109.8 Ų | 109.8 | 56% | 0.557 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -63.9 | 126 | 153 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 78 | M | 61.1 | Low | 65.3 | Low | 101 Ų | 101 | 109.1 Ų | 109.1 | 50% | 0.498 | 60% | 0.603 | S | S | . | * | S | Bend | trans | 6.6 | 116.2 | 172.8 | -65.2 | 168.1 | 68.6 | 0 | 0 | 114.7 | M76 L82 | M76-M78 PolarHBondContact O-N 2.99Å; M78-L82 HydrophobicContact CB-CD2 4.36Å; M78-L82 HydrophobicContact CE-CD2 3.64Å; M78-L82 HydrophobicContact CE-CG 3.95Å; M78-L82 HydrophobicContact CG-CD2 4.47Å |
| 79 | S | 68.3 | Low | 65.8 | Low | 67 Ų | 67 | 107.6 Ų | 107.6 | 47% | 0.469 | 59% | 0.591 | S | S | . | * | | | trans | -36.6 | 133.7 | -174.4 | 68.9 | 0 | 0 | 0 | 0 | 111.8 | L81 L82 Q83 | S79-L81 CarbonylContact O-C 3.56Å; S79-L81 PolarHBondContact O-N 3.04Å; S79-L82 WeakPolarHBondContact O-CA 3.47Å; S79-L82 WeakPolarHBondContact O-CB 3.49Å; S79-L82 PolarHBondContact O-N 3.44Å; S79-L82 PolarHBondContact OG-N 3.14Å; S79-Q83 PolarHBondContact O-N 3.34Å |
| 80 | P | 73.6 | Confident | 66.2 | Low | 68 Ų | 68 | 111.6 Ų | 111.6 | 44% | 0.442 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -48.3 | -25.3 | -179.2 | -31.2 | 34.2 | 0 | 0 | 0 | 114.2 | F75 A84 | F75-P80 HydrophobicContact CE1-CG 3.9Å; F75-P80 HydrophobicContact CE2-CG 4.46Å; F75-P80 HydrophobicContact CZ-CG 3.53Å; P80-A84 PolarHBondContact O-N 3.37Å; P80-A84 VanDerWaalsContact O-N 3.17Å |
| 81 | L | 71.8 | Confident | 66.2 | Low | 145 Ų | 145 | 109 Ų | 109 | 76% | 0.759 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.1 | -41.3 | 172.8 | -64.5 | 174.3 | 0 | 0 | 0 | 113.9 | S79 A84 H85 | S79-L81 CarbonylContact O-C 3.56Å; S79-L81 PolarHBondContact O-N 3.04Å; L81-A84 PolarHBondContact O-N 2.89Å; L81-H85 PolarHBondContact O-N 2.94Å |
| 82 | L | 69.1 | Low | 66.3 | Low | 75 Ų | 75 | 109.7 Ų | 109.7 | 39% | 0.393 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70.5 | -33.8 | 177.4 | -166.3 | 63 | 0 | 0 | 0 | 111.4 | M78 S79 H85 H86 | M78-L82 HydrophobicContact CB-CD2 4.36Å; M78-L82 HydrophobicContact CE-CD2 3.64Å; M78-L82 HydrophobicContact CE-CG 3.95Å; M78-L82 HydrophobicContact CG-CD2 4.47Å; S79-L82 WeakPolarHBondContact O-CA 3.47Å; S79-L82 WeakPolarHBondContact O-CB 3.49Å; S79-L82 PolarHBondContact O-N 3.44Å; S79-L82 PolarHBondContact OG-N 3.14Å; L82-H85 WeakPolarHBondContact O-CB 3.47Å; L82-H85 PolarHBondContact O-N 3.22Å; L82-H86 PolarHBondContact O-CD2 3.26Å; L82-H86 PolarHBondContact O-N 3.08Å; L82-H86 VanDerWaalsContact O-N 3.08Å |
| 83 | Q | 77.1 | Confident | 66.3 | Low | 118 Ų | 118 | 110.7 Ų | 110.7 | 55% | 0.551 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.2 | -42.2 | 171.1 | -69.1 | -177.9 | -15.2 | 0 | 0 | 112.1 | S79 H85 H86 A87 | S79-Q83 PolarHBondContact O-N 3.34Å; Q83-H85 VanDerWaalsContact C-N 3.34Å; Q83-H86 PolarHBondContact O-N 2.91Å; Q83-A87 WeakPolarHBondContact O-CB 3.5Å; Q83-A87 PolarHBondContact O-N 3.16Å |
| 84 | A | 73.6 | Confident | 66.2 | Low | 48 Ų | 48 | 112.2 Ų | 112.2 | 40% | 0.397 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.1 | -38.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P80 L81 A87 M88 | P80-A84 PolarHBondContact O-N 3.37Å; P80-A84 VanDerWaalsContact O-N 3.17Å; L81-A84 PolarHBondContact O-N 2.89Å; A84-A87 PolarHBondContact O-N 3.38Å; A84-M88 WeakPolarHBondContact O-CB 3.37Å; A84-M88 WeakPolarHBondContact O-CG 3.49Å; A84-M88 PolarHBondContact O-N 3.4Å |
| 85 | H | 75.8 | Confident | 65.7 | Low | 112 Ų | 112 | 113 Ų | 113 | 52% | 0.519 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.1 | -49.1 | 175.2 | -170.5 | -83.1 | 0 | 0 | 0 | 111.6 | L81 L82 Q83 A87 M88 E89 | L81-H85 PolarHBondContact O-N 2.94Å; L82-H85 WeakPolarHBondContact O-CB 3.47Å; L82-H85 PolarHBondContact O-N 3.22Å; Q83-H85 VanDerWaalsContact C-N 3.34Å; H85-A87 VanDerWaalsContact C-N 3.3Å; H85-A87 PolarHBondContact O-N 2.89Å; H85-M88 PolarHBondContact O-N 2.95Å; H85-E89 WeakPolarHBondContact O-CB 3.39Å; H85-E89 PolarHBondContact O-N 3.02Å |
| 86 | H | 73.3 | Confident | 65.7 | Low | 69 Ų | 69 | 108.8 Ų | 108.8 | 32% | 0.319 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.3 | -31.7 | 176.1 | -72.8 | -57.3 | 0 | 0 | 0 | 113.7 | L82 Q83 E89 | L82-H86 PolarHBondContact O-CD2 3.26Å; L82-H86 PolarHBondContact O-N 3.08Å; L82-H86 VanDerWaalsContact O-N 3.08Å; Q83-H86 PolarHBondContact O-N 2.91Å; H86-E89 IonicContact ND1-OE2 3.4Å; H86-E89 PolarHBondContact ND1-OE2 3.19Å |
| 87 | A | 73.9 | Confident | 65.5 | Low | 65 Ų | 65 | 108.3 Ų | 108.3 | 54% | 0.537 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69.1 | -38.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q83 A84 H85 | Q83-A87 WeakPolarHBondContact O-CB 3.5Å; Q83-A87 PolarHBondContact O-N 3.16Å; A84-A87 PolarHBondContact O-N 3.38Å; H85-A87 VanDerWaalsContact C-N 3.3Å; H85-A87 PolarHBondContact O-N 2.89Å |
| 88 | M | 65.2 | Low | 65 | Low | 138 Ų | 138 | 113.2 Ų | 113.2 | 68% | 0.68 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -74.3 | -35.9 | 177.3 | -73 | 173 | 48.6 | 0 | 0 | 112.9 | A84 H85 R90 M91 | A84-M88 WeakPolarHBondContact O-CB 3.37Å; A84-M88 WeakPolarHBondContact O-CG 3.49Å; A84-M88 PolarHBondContact O-N 3.4Å; H85-M88 PolarHBondContact O-N 2.95Å; M88-R90 PolarHBondContact O-N 2.91Å; M88-M91 WeakPolarHBondContact O-CB 3.45Å; M88-M91 PolarHBondContact O-N 3.07Å |
| 89 | E | 64.5 | Low | 65.3 | Low | 117 Ų | 117 | 112.4 Ų | 112.4 | 55% | 0.547 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -59.4 | -28.7 | 179.4 | -173.1 | 174.8 | -152.5 | 0 | 0 | 112.9 | H85 H86 | H85-E89 WeakPolarHBondContact O-CB 3.39Å; H85-E89 PolarHBondContact O-N 3.02Å; H86-E89 IonicContact ND1-OE2 3.4Å; H86-E89 PolarHBondContact ND1-OE2 3.19Å |
| 90 | R | 64.5 | Low | 65.3 | Low | 190 Ų | 190 | 115.4 Ų | 115.4 | 72% | 0.717 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -4.6 | 177.3 | -62.4 | -165.2 | -168.1 | 124.3 | 1.6 | 114.7 | M88 F94 | M88-R90 PolarHBondContact O-N 2.91Å; R90-F94 WeakPolarHBondContact O-CD2 3.34Å; R90-F94 WeakPolarHBondContact O-CE2 3.36Å |
| 91 | M | 57.6 | Low | 65 | Low | 120 Ų | 120 | 117.7 Ų | 117.7 | 59% | 0.591 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -11.6 | -175.4 | -170.1 | 171.7 | 157.4 | 0 | 0 | 113.3 | M88 E93 F94 V95 | M88-M91 WeakPolarHBondContact O-CB 3.45Å; M88-M91 PolarHBondContact O-N 3.07Å; M91-E93 PolarHBondContact O-N 3.19Å; M91-F94 PolarHBondContact O-N 3.43Å; M91-V95 HydrophobicContact CE-CG2 4.14Å |
| 92 | E | 58.1 | Low | 65.1 | Low | 165 Ų | 165 | 113.7 Ų | 113.7 | 77% | 0.771 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -12.2 | -175.6 | -68 | -171.4 | 171.3 | 0 | 0 | 114.4 | C96 | E92-C96 PolarHBondContact O-SG 3.44Š|
| 93 | E | 56.9 | Low | 65.3 | Low | 158 Ų | 158 | 114.2 Ų | 114.2 | 74% | 0.738 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -18.9 | 178.9 | -159.2 | 171.6 | -173.9 | 0 | 0 | 114.5 | M91 | M91-E93 PolarHBondContact O-N 3.19Š|
| 94 | F | 53.5 | Low | 65.3 | Low | 156 Ų | 156 | 113.6 Ų | 113.6 | 68% | 0.684 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -88.9 | -20.8 | -173 | -65 | -71.4 | 0 | 0 | 0 | 114.9 | R90 M91 | R90-F94 WeakPolarHBondContact O-CD2 3.34Å; R90-F94 WeakPolarHBondContact O-CE2 3.36Å; M91-F94 PolarHBondContact O-N 3.43Å |
| 95 | V | 54.4 | Low | 65.2 | Low | 81 Ų | 81 | 115.3 Ų | 115.3 | 49% | 0.491 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -85.4 | -25.5 | 175.3 | -174.9 | 0 | 0 | 0 | 0 | 111 | M91 V99 | M91-V95 HydrophobicContact CE-CG2 4.14Å; V95-V99 HydrophobicContact CG1-CG2 3.93Å; V95-V99 VanDerWaalsContact O-CB 3.27Å; V95-V99 WeakPolarHBondContact O-CB 3.21Å; V95-V99 WeakPolarHBondContact O-CG2 3.45Å; V95-V99 PolarHBondContact O-N 3.27Å |
| 96 | C | 55.5 | Low | 64.9 | Low | 75 Ų | 75 | 113.4 Ų | 113.4 | 51% | 0.507 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.4 | -38.5 | 180 | -67.5 | 0 | 0 | 0 | 0 | 112.3 | E92 L100 | E92-C96 PolarHBondContact O-SG 3.44Å; C96-L100 WeakPolarHBondContact O-CB 3.22Å; C96-L100 PolarHBondContact O-N 2.89Å |
| 97 | K | 58.6 | Low | 64.5 | Low | 153 Ų | 153 | 114.3 Ų | 114.3 | 67% | 0.665 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.1 | -49.8 | -176.2 | -168.9 | 175.9 | 178.3 | -178.9 | 0 | 112.6 | E101 | K97-E101 WeakPolarHBondContact O-CB 2.95Å; K97-E101 PolarHBondContact O-N 3.01Å |
| 98 | E | 57.8 | Low | 63.7 | Low | 156 Ų | 156 | 121.4 Ų | 121.4 | 73% | 0.729 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -74.4 | -35.5 | -177.3 | -60.2 | -152.6 | 159.3 | 0 | 0 | 112.8 | A102 | E98-A102 VanDerWaalsContact O-CB 3.27Å; E98-A102 WeakPolarHBondContact O-CB 3.27Å; E98-A102 PolarHBondContact O-N 3.03Å |
| 99 | V | 67.9 | Low | 63.4 | Low | 85 Ų | 85 | 122 Ų | 122 | 52% | 0.515 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -73.2 | -40.4 | 177.7 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | V95 V103 | V95-V99 HydrophobicContact CG1-CG2 3.93Å; V95-V99 VanDerWaalsContact O-CB 3.27Å; V95-V99 WeakPolarHBondContact O-CB 3.21Å; V95-V99 WeakPolarHBondContact O-CG2 3.45Å; V95-V99 PolarHBondContact O-N 3.27Å; V99-V103 WeakPolarHBondContact O-CB 3.15Å; V99-V103 VanDerWaalsContact O-CG2 3.22Å; V99-V103 WeakPolarHBondContact O-CG2 3.27Å; V99-V103 PolarHBondContact O-N 3.03Å |
| 100 | L | 67.8 | Low | 62.8 | Low | 130 Ų | 130 | 126.6 Ų | 126.6 | 68% | 0.681 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -71.5 | -36.5 | 178.7 | -152.3 | 99.1 | 0 | 0 | 0 | 111.3 | C96 V103 L104 | C96-L100 WeakPolarHBondContact O-CB 3.22Å; C96-L100 PolarHBondContact O-N 2.89Å; L100-V103 PolarHBondContact O-N 2.9Å; L100-L104 WeakPolarHBondContact O-CB 3.32Å; L100-L104 PolarHBondContact O-N 3.48Å |
| 101 | E | 68.4 | Low | 62.7 | Low | 116 Ų | 116 | 123.5 Ų | 123.5 | 54% | 0.542 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -66.7 | -42.2 | 174.1 | -169.9 | 172.9 | 174.3 | 0 | 0 | 111.6 | K97 V103 L104 C105 | K97-E101 WeakPolarHBondContact O-CB 2.95Å; K97-E101 PolarHBondContact O-N 3.01Å; E101-V103 PolarHBondContact O-N 2.86Å; E101-L104 PolarHBondContact O-N 3.35Å; E101-C105 WeakPolarHBondContact O-CB 3.42Å; E101-C105 PolarHBondContact O-N 3.5Å |
| 102 | A | 73.4 | Confident | 63 | Low | 60 Ų | 60 | 123.6 Ų | 123.6 | 50% | 0.496 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -63.9 | -40.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E98 A106 | E98-A102 VanDerWaalsContact O-CB 3.27Å; E98-A102 WeakPolarHBondContact O-CB 3.27Å; E98-A102 PolarHBondContact O-N 3.03Å; A102-A106 WeakPolarHBondContact O-CB 3.3Å; A102-A106 PolarHBondContact O-N 3.01Å |
| 103 | V | 74.2 | Confident | 63.2 | Low | 86 Ų | 86 | 121.3 Ų | 121.3 | 52% | 0.521 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -68.9 | -38.2 | 176.1 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | V99 L100 E101 A106 T107 | V99-V103 WeakPolarHBondContact O-CB 3.15Å; V99-V103 VanDerWaalsContact O-CG2 3.22Å; V99-V103 WeakPolarHBondContact O-CG2 3.27Å; V99-V103 PolarHBondContact O-N 3.03Å; L100-V103 PolarHBondContact O-N 2.9Å; E101-V103 PolarHBondContact O-N 2.86Å; V103-A106 PolarHBondContact O-N 2.84Å; V103-T107 VanDerWaalsContact O-CG2 3.3Å; V103-T107 WeakPolarHBondContact O-CG2 3.42Å; V103-T107 PolarHBondContact O-N 3.17Å; V103-T107 PolarHBondContact O-OG1 3.45Å |
| 104 | L | 75.5 | Confident | 63.6 | Low | 106 Ų | 106 | 119.2 Ų | 119.2 | 56% | 0.555 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.1 | -44.5 | 174.9 | -156.5 | 76.3 | 0 | 0 | 0 | 111.1 | L100 E101 A106 T107 W108 | L100-L104 WeakPolarHBondContact O-CB 3.32Å; L100-L104 PolarHBondContact O-N 3.48Å; E101-L104 PolarHBondContact O-N 3.35Å; L104-A106 VanDerWaalsContact C-N 3.32Å; L104-A106 PolarHBondContact O-N 3.39Å; L104-T107 WeakPolarHBondContact CA-OG1 3.38Å; L104-T107 PolarHBondContact O-N 3.31Å; L104-T107 PolarHBondContact O-OG1 2.98Å; L104-W108 PolarHBondContact O-N 3.22Å |
| 105 | C | 71.6 | Confident | 64.2 | Low | 83 Ų | 83 | 116.9 Ų | 116.9 | 56% | 0.561 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -59 | -41.2 | 173.9 | -79.9 | 0 | 0 | 0 | 0 | 112.6 | E101 T107 | E101-C105 WeakPolarHBondContact O-CB 3.42Å; E101-C105 PolarHBondContact O-N 3.5Å; C105-T107 VanDerWaalsContact C-N 3.29Å; C105-T107 PolarHBondContact O-N 3.38Å |
| 106 | A | 70.9 | Confident | 64.9 | Low | 73 Ų | 73 | 119.3 Ų | 119.3 | 60% | 0.603 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -71.2 | -20.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A102 V103 L104 | A102-A106 WeakPolarHBondContact O-CB 3.3Å; A102-A106 PolarHBondContact O-N 3.01Å; V103-A106 PolarHBondContact O-N 2.84Å; L104-A106 VanDerWaalsContact C-N 3.32Å; L104-A106 PolarHBondContact O-N 3.39Å |
| 107 | T | 65.2 | Low | 65.6 | Low | 88 Ų | 88 | 122.4 Ų | 122.4 | 54% | 0.54 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -94 | -17 | -177.1 | 46.1 | 0 | 0 | 0 | 0 | 113.8 | V103 L104 C105 | V103-T107 VanDerWaalsContact O-CG2 3.3Å; V103-T107 WeakPolarHBondContact O-CG2 3.42Å; V103-T107 PolarHBondContact O-N 3.17Å; V103-T107 PolarHBondContact O-OG1 3.45Å; L104-T107 WeakPolarHBondContact CA-OG1 3.38Å; L104-T107 PolarHBondContact O-N 3.31Å; L104-T107 PolarHBondContact O-OG1 2.98Å; C105-T107 VanDerWaalsContact C-N 3.29Å; C105-T107 PolarHBondContact O-N 3.38Å |
| 108 | W | 57.2 | Low | 66.1 | Low | 214 Ų | 214 | 120.1 Ų | 120.1 | 81% | 0.811 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -94.4 | -6.7 | 176.4 | -77.8 | 73.2 | 0 | 0 | 0 | 114 | L104 N110 | L104-W108 PolarHBondContact O-N 3.22Å; W108-N110 VanDerWaalsContact C-N 3.35Å |
| 109 | D | 57.2 | Low | 66.8 | Low | 150 Ų | 150 | 117.1 Ų | 117.1 | 80% | 0.802 | 65% | 0.648 | S | S | * | * | | | trans | -96.1 | 22.6 | 178.3 | -135.2 | -11.7 | 0 | 0 | 0 | 112.6 | | |
| 110 | N | 52.2 | Low | 66.7 | Low | 214 Ų | 214 | 120 Ų | 120 | 100% | 1.144 | 66% | 0.66 | S | S | * | * | | | trans | -117.6 | 0 | 175.1 | -136.5 | -89.9 | 0 | 0 | 0 | 111.7 | W108 | W108-N110 VanDerWaalsContact C-N 3.35Š|