| 1 | M | 45.2 | Very low | 43.9 | Very low | 239 Ų | 239 | 158.5 Ų | 158.5 | 100% | 1.177 | 83% | 0.828 | S | S | * | * | | | | 0 | 84.9 | 0 | -81.9 | 171.5 | 176.9 | 0 | 0 | 106.8 | | |
| 2 | E | 39.1 | Very low | 43.5 | Very low | 183 Ų | 183 | 166.3 Ų | 166.3 | 86% | 0.855 | 84% | 0.839 | S | S | * | * | | | trans | -76.9 | 119.4 | 178.3 | -62.3 | -173.4 | 130.9 | 0 | 0 | 108.1 | | |
| 3 | Q | 45.9 | Very low | 43.7 | Very low | 168 Ų | 168 | 162.5 Ų | 162.5 | 79% | 0.785 | 84% | 0.837 | S | S | * | * | | | trans | -97.4 | 101.2 | 172.2 | -68.1 | -78.6 | 36.2 | 0 | 0 | 107.6 | W5 | Q3-W5 PolarHBondContact O-N 3.37Š|
| 4 | V | 45.1 | Very low | 43.7 | Very low | 113 Ų | 113 | 164.5 Ų | 164.5 | 69% | 0.685 | 84% | 0.841 | S | S | * | * | | | trans | -66 | 112.2 | 170.8 | 166 | 0 | 0 | 0 | 0 | 108.6 | R6 | V4-R6 HydrophobicContact CG1-CG 3.98Å; V4-R6 PolarHBondContact O-N 2.95Å |
| 5 | W | 45.1 | Very low | 44.2 | Very low | 228 Ų | 228 | 165.6 Ų | 165.6 | 86% | 0.864 | 84% | 0.842 | S | S | * | * | | | trans | -81.7 | 93 | 165.1 | -70.5 | 89.1 | 0 | 0 | 0 | 108.7 | Q3 L7 | Q3-W5 PolarHBondContact O-N 3.37Å; W5-L7 PolarHBondContact O-N 3.23Å |
| 6 | R | 42.8 | Very low | 45.3 | Very low | 223 Ų | 223 | 162 Ų | 162 | 84% | 0.842 | 83% | 0.833 | S | S | * | * | | | trans | -76.5 | 98 | 159.7 | -79.8 | -167.3 | -163.5 | -169.6 | 5.1 | 108 | V4 | V4-R6 HydrophobicContact CG1-CG 3.98Å; V4-R6 PolarHBondContact O-N 2.95Å |
| 7 | L | 49.3 | Very low | 46.3 | Very low | 149 Ų | 149 | 159.1 Ų | 159.1 | 78% | 0.78 | 83% | 0.827 | S | S | * | * | | | trans | -89.4 | 107.6 | 159 | -77.6 | 163.5 | 0 | 0 | 0 | 107.8 | W5 L9 | W5-L7 PolarHBondContact O-N 3.23Å; L7-L9 PolarHBondContact O-N 3.06Å; L7-L9 VanDerWaalsContact O-N 3.11Å |
| 8 | T | 43.4 | Very low | 46.7 | Very low | 134 Ų | 134 | 156.8 Ų | 156.8 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | | | trans | -62.3 | 101.1 | 168.2 | -59.5 | 0 | 0 | 0 | 0 | 108.6 | G10 | T8-G10 PolarHBondContact O-N 3.2Š|
| 9 | L | 46.9 | Very low | 46.7 | Very low | 168 Ų | 168 | 155.1 Ų | 155.1 | 88% | 0.88 | 82% | 0.82 | S | S | * | * | | | trans | -74.2 | 108.8 | 165.8 | -79.7 | 161.7 | 0 | 0 | 0 | 107.8 | L7 G11 | L7-L9 PolarHBondContact O-N 3.06Å; L7-L9 VanDerWaalsContact O-N 3.11Å; L9-G11 PolarHBondContact O-N 3.25Å |
| 10 | G | 41.6 | Very low | 46.6 | Very low | 58 Ų | 58 | 156.4 Ų | 156.4 | 60% | 0.598 | 82% | 0.824 | S | S | * | * | | | trans | -59.2 | 126.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | T8 W12 | T8-G10 PolarHBondContact O-N 3.2Å; G10-W12 PolarHBondContact O-N 3.34Å |
| 11 | G | 38.4 | Very low | 46.6 | Very low | 80 Ų | 80 | 157.1 Ų | 157.1 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | | | trans | -61.5 | 119.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | L9 | L9-G11 PolarHBondContact O-N 3.25Š|
| 12 | W | 39.7 | Very low | 47 | Very low | 252 Ų | 252 | 151.1 Ų | 151.1 | 96% | 0.955 | 81% | 0.811 | S | S | * | * | | | trans | -91.6 | 109.6 | 161 | -73.9 | 25.5 | 0 | 0 | 0 | 105.6 | G10 E14 | G10-W12 PolarHBondContact O-N 3.34Å; W12-E14 PolarHBondContact O-N 2.91Å |
| 13 | S | 45.1 | Very low | 47.6 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | -71 | 110.7 | 173.4 | -161.9 | 0 | 0 | 0 | 0 | 107.6 | Q15 | S13-Q15 PolarHBondContact O-N 2.85Å; S13-Q15 VanDerWaalsContact O-N 3.14Å |
| 14 | E | 44.6 | Very low | 47.9 | Very low | 191 Ų | 191 | 141.7 Ų | 141.7 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | | | trans | -59.1 | 109.9 | 163.1 | -96.9 | 177 | 91.1 | 0 | 0 | 108.4 | W12 | W12-E14 PolarHBondContact O-N 2.91Š|
| 15 | Q | 50.2 | Low | 48.3 | Very low | 181 Ų | 181 | 143.8 Ų | 143.8 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 129.8 | 157.2 | -108 | -157.4 | -13.2 | 0 | 0 | 108.1 | S13 | S13-Q15 PolarHBondContact O-N 2.85Å; S13-Q15 VanDerWaalsContact O-N 3.14Å |
| 16 | P | 62.5 | Low | 48.8 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 148 | 170.9 | 27.8 | -31.9 | 0 | 0 | 0 | 110.7 | | |
| 17 | P | 61.5 | Low | 49.4 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 146.1 | 178.7 | 27.1 | -33.7 | 0 | 0 | 0 | 111.2 | T19 | P17-T19 PolarHBondContact O-N 3.04Š|
| 18 | P | 53.9 | Low | 49.9 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 123.1 | 174.5 | 27.1 | -32.4 | 0 | 0 | 0 | 109.8 | M20 | P18-M20 PolarHBondContact O-N 2.83Å; P18-M20 VanDerWaalsContact O-N 3.1Å |
| 19 | T | 47.4 | Very low | 51 | Low | 123 Ų | 123 | 131.3 Ų | 131.3 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | -64.7 | 106.2 | 166.2 | 46.6 | 0 | 0 | 0 | 0 | 108.2 | P17 E21 | P17-T19 PolarHBondContact O-N 3.04Å; T19-E21 PolarHBondContact O-N 3.18Å; T19-E21 VanDerWaalsContact O-N 3.16Å |
| 20 | M | 44.5 | Very low | 51.9 | Low | 181 Ų | 181 | 130.2 Ų | 130.2 | 89% | 0.892 | 76% | 0.761 | S | S | * | * | | | trans | -72 | 103.9 | 167.5 | 21.9 | 179.7 | 65.2 | 0 | 0 | 107.7 | P18 A22 | P18-M20 PolarHBondContact O-N 2.83Å; P18-M20 VanDerWaalsContact O-N 3.1Å; M20-A22 PolarHBondContact O-N 3.43Å |
| 21 | E | 47.2 | Very low | 53.6 | Low | 172 Ų | 172 | 131.8 Ų | 131.8 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | trans | -53.8 | 120.3 | 171 | -73.2 | -76.3 | 134.8 | 0 | 0 | 109.9 | T19 G23 | T19-E21 PolarHBondContact O-N 3.18Å; T19-E21 VanDerWaalsContact O-N 3.16Å; E21-G23 PolarHBondContact O-N 2.95Å |
| 22 | A | 52.9 | Low | 55.6 | Low | 113 Ų | 113 | 132.6 Ų | 132.6 | 93% | 0.934 | 74% | 0.744 | S | S | * | * | | | trans | -76.3 | 70.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | M20 | M20-A22 PolarHBondContact O-N 3.43Š|
| 23 | G | 50.6 | Low | 57.4 | Low | 74 Ų | 74 | 126.3 Ų | 126.3 | 76% | 0.763 | 73% | 0.725 | S | S | * | * | | | trans | -106.2 | 109.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | E21 | E21-G23 PolarHBondContact O-N 2.95Š|
| 24 | G | 53.6 | Low | 58.9 | Low | 80 Ų | 80 | 123.8 Ų | 123.8 | 83% | 0.825 | 71% | 0.705 | S | S | * | * | | | trans | 123.7 | 65.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 25 | K | 53.7 | Low | 60.1 | Low | 156 Ų | 156 | 117.3 Ų | 117.3 | 68% | 0.678 | 68% | 0.684 | S | S | * | * | | | trans | -127.1 | 24.8 | 171.8 | -162.2 | 154.7 | -179.4 | 175.3 | 0 | 114.1 | | |
| 26 | D | 55.5 | Low | 61.2 | Low | 138 Ų | 138 | 115.9 Ų | 115.9 | 74% | 0.738 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -115.1 | -12.9 | 177.9 | -83.1 | -94.4 | 0 | 0 | 0 | 113.8 | | |
| 27 | C | 54.3 | Low | 61.8 | Low | 105 Ų | 105 | 118 Ų | 118 | 71% | 0.709 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -80.6 | -34.5 | -178.4 | -169 | 0 | 0 | 0 | 0 | 113 | T31 | C27-T31 PolarHBondContact O-N 2.84Å; C27-T31 PolarHBondContact O-OG1 3.11Å |
| 28 | E | 61.2 | Low | 62.1 | Low | 119 Ų | 119 | 120 Ų | 120 | 56% | 0.556 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -73.1 | -35.7 | -179.4 | 70.1 | -178.7 | -166.6 | 0 | 0 | 112.3 | T31 L32 | E28-T31 PolarHBondContact O-N 3.12Å; E28-L32 VanDerWaalsContact O-CG 3.26Å; E28-L32 WeakPolarHBondContact O-CG 3.41Å; E28-L32 PolarHBondContact O-N 3.42Å |
| 29 | E | 66.2 | Low | 62.5 | Low | 111 Ų | 111 | 120.4 Ų | 120.4 | 52% | 0.519 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -69.6 | -40.5 | -177.5 | -178.4 | 153.6 | -172.1 | 0 | 0 | 111.8 | T31 L32 Q33 | E29-T31 VanDerWaalsContact C-N 3.28Å; E29-T31 PolarHBondContact O-N 3.19Å; E29-L32 PolarHBondContact O-N 2.94Å; E29-Q33 HydrophobicContact CG-CG 4.27Å; E29-Q33 WeakPolarHBondContact O-CB 3.38Å; E29-Q33 VanDerWaalsContact O-CG 3.29Å; E29-Q33 WeakPolarHBondContact O-CG 3.24Å; E29-Q33 PolarHBondContact O-N 3.27Å; E29-Q33 PolarHBondContact OE1-NE2 3.39Å |
| 30 | E | 65.6 | Low | 63.3 | Low | 145 Ų | 145 | 124.3 Ų | 124.3 | 68% | 0.678 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -65.3 | -34.9 | 176.1 | -157.7 | -177.1 | 141.6 | 0 | 0 | 111.8 | T34 | E30-T34 WeakPolarHBondContact O-CB 3.41Å; E30-T34 PolarHBondContact O-N 3.05Å; E30-T34 PolarHBondContact O-OG1 3.31Å |
| 31 | T | 77.1 | Confident | 63.9 | Low | 90 Ų | 90 | 120 Ų | 120 | 55% | 0.552 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.5 | -43.9 | 175.9 | -51.5 | 0 | 0 | 0 | 0 | 111.3 | C27 E28 E29 T34 A35 | C27-T31 PolarHBondContact O-N 2.84Å; C27-T31 PolarHBondContact O-OG1 3.11Å; E28-T31 PolarHBondContact O-N 3.12Å; E29-T31 VanDerWaalsContact C-N 3.28Å; E29-T31 PolarHBondContact O-N 3.19Å; T31-T34 PolarHBondContact O-N 3.29Å; T31-A35 PolarHBondContact O-N 3.02Å |
| 32 | L | 80.7 | Confident | 64.1 | Low | 98 Ų | 98 | 116.7 Ų | 116.7 | 51% | 0.513 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -66.5 | -43.3 | 176.3 | -69.6 | 172 | 0 | 0 | 0 | 111.5 | E28 E29 T34 A35 F36 | E28-L32 VanDerWaalsContact O-CG 3.26Å; E28-L32 WeakPolarHBondContact O-CG 3.41Å; E28-L32 PolarHBondContact O-N 3.42Å; E29-L32 PolarHBondContact O-N 2.94Å; L32-T34 VanDerWaalsContact C-N 3.27Å; L32-T34 PolarHBondContact O-N 2.88Å; L32-A35 PolarHBondContact O-N 2.87Å; L32-A35 VanDerWaalsContact O-N 3.17Å; L32-F36 VanDerWaalsContact O-CD2 3.3Å; L32-F36 WeakPolarHBondContact O-CD2 3.41Å; L32-F36 PolarHBondContact O-N 3.09Å |
| 33 | Q | 77.2 | Confident | 64.1 | Low | 119 Ų | 119 | 115.5 Ų | 115.5 | 56% | 0.556 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -63.1 | -35.1 | 176.3 | -72 | -164.9 | 18.4 | 0 | 0 | 111.9 | E29 K37 | E29-Q33 HydrophobicContact CG-CG 4.27Å; E29-Q33 WeakPolarHBondContact O-CB 3.38Å; E29-Q33 VanDerWaalsContact O-CG 3.29Å; E29-Q33 WeakPolarHBondContact O-CG 3.24Å; E29-Q33 PolarHBondContact O-N 3.27Å; E29-Q33 PolarHBondContact OE1-NE2 3.39Å; Q33-K37 WeakPolarHBondContact O-CB 3.4Å; Q33-K37 PolarHBondContact O-N 3.18Å; Q33-K37 VanDerWaalsContact O-N 3.09Å |
| 34 | T | 75.6 | Confident | 64.2 | Low | 65 Ų | 65 | 119.2 Ų | 119.2 | 40% | 0.399 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -69.5 | -40.1 | 173.6 | -54.4 | 0 | 0 | 0 | 0 | 111.8 | E30 T31 L32 K37 K38 | E30-T34 WeakPolarHBondContact O-CB 3.41Å; E30-T34 PolarHBondContact O-N 3.05Å; E30-T34 PolarHBondContact O-OG1 3.31Å; T31-T34 PolarHBondContact O-N 3.29Å; L32-T34 VanDerWaalsContact C-N 3.27Å; L32-T34 PolarHBondContact O-N 2.88Å; T34-K37 PolarHBondContact O-N 2.79Å; T34-K38 WeakPolarHBondContact O-CG 3.39Å; T34-K38 PolarHBondContact O-N 3.44Å |
| 35 | A | 70.4 | Confident | 64.1 | Low | 55 Ų | 55 | 119 Ų | 119 | 46% | 0.455 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.5 | -44.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | T31 L32 K37 K38 L39 | T31-A35 PolarHBondContact O-N 3.02Å; L32-A35 PolarHBondContact O-N 2.87Å; L32-A35 VanDerWaalsContact O-N 3.17Å; A35-K37 VanDerWaalsContact C-N 3.33Å; A35-K37 PolarHBondContact O-N 2.92Å; A35-K38 PolarHBondContact O-N 3.15Å; A35-L39 PolarHBondContact O-N 2.84Å |
| 36 | F | 73.5 | Confident | 64 | Low | 150 Ų | 150 | 118.6 Ų | 118.6 | 66% | 0.658 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.2 | -33.3 | 175.9 | -84.9 | -76.8 | 0 | 0 | 0 | 112.7 | L32 R40 | L32-F36 VanDerWaalsContact O-CD2 3.3Å; L32-F36 WeakPolarHBondContact O-CD2 3.41Å; L32-F36 PolarHBondContact O-N 3.09Å; F36-R40 PolarHBondContact O-N 3.03Å |
| 37 | K | 74.2 | Confident | 63.6 | Low | 154 Ų | 154 | 117.7 Ų | 117.7 | 67% | 0.67 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.7 | -34.4 | 174.4 | -165.4 | 160.5 | 66.1 | -172.9 | 0 | 112.3 | Q33 T34 A35 R40 | Q33-K37 WeakPolarHBondContact O-CB 3.4Å; Q33-K37 PolarHBondContact O-N 3.18Å; Q33-K37 VanDerWaalsContact O-N 3.09Å; T34-K37 PolarHBondContact O-N 2.79Å; A35-K37 VanDerWaalsContact C-N 3.33Å; A35-K37 PolarHBondContact O-N 2.92Å; K37-R40 PolarHBondContact O-N 3.36Å |
| 38 | K | 69.1 | Low | 63.4 | Low | 154 Ų | 154 | 115.9 Ų | 115.9 | 67% | 0.67 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.5 | -37.2 | 173.5 | -74.3 | -176.9 | 68.6 | 179 | 0 | 112.7 | T34 A35 R40 V41 | T34-K38 WeakPolarHBondContact O-CG 3.39Å; T34-K38 PolarHBondContact O-N 3.44Å; A35-K38 PolarHBondContact O-N 3.15Å; K38-R40 PolarHBondContact O-N 3.14Å; K38-V41 PolarHBondContact O-N 3.02Å |
| 39 | L | 63 | Low | 62.2 | Low | 126 Ų | 126 | 114.9 Ų | 114.9 | 66% | 0.66 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.8 | -27.7 | 178.5 | -164.6 | 73.3 | 0 | 0 | 0 | 112.7 | A35 V41 | A35-L39 PolarHBondContact O-N 2.84Å; L39-V41 VanDerWaalsContact C-N 3.28Å; L39-V41 PolarHBondContact O-N 3.37Å |
| 40 | R | 63 | Low | 61 | Low | 205 Ų | 205 | 118.3 Ų | 118.3 | 77% | 0.774 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -14.8 | -177.3 | -141.5 | 176.9 | -171.8 | 151.4 | 2.2 | 113.9 | F36 K37 K38 | F36-R40 PolarHBondContact O-N 3.03Å; K37-R40 PolarHBondContact O-N 3.36Å; K38-R40 PolarHBondContact O-N 3.14Å |
| 41 | V | 58.3 | Low | 59.8 | Low | 90 Ų | 90 | 116.6 Ų | 116.6 | 55% | 0.545 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.6 | -20.5 | -175.7 | 175.4 | 0 | 0 | 0 | 0 | 113 | K38 L39 | K38-V41 PolarHBondContact O-N 3.02Å; L39-V41 VanDerWaalsContact C-N 3.28Å; L39-V41 PolarHBondContact O-N 3.37Å |
| 42 | D | 51.2 | Low | 58.2 | Low | 104 Ų | 104 | 118.5 Ų | 118.5 | 56% | 0.556 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -8 | -177.7 | -69 | -31.1 | 0 | 0 | 0 | 114.4 | | |
| 43 | A | 51.7 | Low | 56.1 | Low | 87 Ų | 87 | 119.1 Ų | 119.1 | 72% | 0.719 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -17.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 44 | E | 53 | Low | 54.1 | Low | 152 Ų | 152 | 121.1 Ų | 121.1 | 71% | 0.71 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | -17.6 | -174.7 | -63.5 | 155.4 | 150.8 | 0 | 0 | 112.3 | | |
| 45 | S | 52.1 | Low | 52.2 | Low | 75 Ų | 75 | 121.5 Ų | 121.5 | 52% | 0.524 | 70% | 0.7 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83 | -12.1 | 179.2 | 62.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 46 | L | 50.8 | Low | 50.8 | Low | 149 Ų | 149 | 126.6 Ų | 126.6 | 78% | 0.78 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 0.9 | 177 | -79.9 | 161.4 | 0 | 0 | 0 | 114.4 | G48 | L46-G48 VanDerWaalsContact C-N 3.31Å; L46-G48 PolarHBondContact O-N 3.32Å |
| 47 | S | 47.3 | Very low | 49 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -95.1 | 33.3 | 174.8 | -165.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 48 | G | 50.5 | Low | 47.5 | Very low | 67 Ų | 67 | 124.6 Ų | 124.6 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | | | trans | -158.8 | 42.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | L46 | L46-G48 VanDerWaalsContact C-N 3.31Å; L46-G48 PolarHBondContact O-N 3.32Å |
| 49 | A | 36.7 | Very low | 45.9 | Very low | 97 Ų | 97 | 129 Ų | 129 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | | | trans | -99.5 | 103.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 50 | E | 39.4 | Very low | 44.4 | Very low | 184 Ų | 184 | 127.5 Ų | 127.5 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | | | trans | -55.9 | 131.8 | -178.1 | -157.3 | 166.9 | 106.8 | 0 | 0 | 112.6 | V52 | E50-V52 PolarHBondContact O-N 3.3Š|
| 51 | S | 40.6 | Very low | 43.1 | Very low | 109 Ų | 109 | 125.1 Ų | 125.1 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | | | trans | -66.7 | 112 | 175.1 | 158.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 52 | V | 44.4 | Very low | 42 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 79% | 0.788 | 77% | 0.768 | S | S | * | * | | | trans | -95.4 | 110.8 | 164.8 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | E50 | E50-V52 PolarHBondContact O-N 3.3Š|
| 53 | S | 36.8 | Very low | 41.5 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | -149.2 | 102.3 | 161.2 | -67.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 54 | D | 35.4 | Very low | 40.6 | Very low | 160 Ų | 160 | 133.6 Ų | 133.6 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | | | trans | -73.4 | 127.2 | 168.2 | -161.3 | -53.2 | 0 | 0 | 0 | 108.9 | | |
| 55 | A | 35.9 | Very low | 39.6 | Very low | 73 Ų | 73 | 129.6 Ų | 129.6 | 60% | 0.603 | 79% | 0.786 | S | S | * | * | | | trans | 160.2 | 110.7 | 137.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 56 | L | 40 | Very low | 38.9 | Very low | 163 Ų | 163 | 133.5 Ų | 133.5 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | | | trans | 82.6 | 131 | 135.3 | -61.5 | 160.2 | 0 | 0 | 0 | 121.7 | | |
| 57 | T | 35.7 | Very low | 38.2 | Very low | 141 Ų | 141 | 134 Ų | 134 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | | | trans | 84.1 | 110.9 | 163.3 | 36.5 | 0 | 0 | 0 | 0 | 120.7 | | |
| 58 | P | 41.7 | Very low | 37.8 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | | | trans | -103.5 | 130.8 | 169 | 35 | -24.9 | 0 | 0 | 0 | 112.4 | | |
| 59 | R | 37.1 | Very low | 37.4 | Very low | 246 Ų | 246 | 134.5 Ų | 134.5 | 93% | 0.928 | 80% | 0.803 | S | S | * | * | | | trans | -144.3 | 111.3 | 150.3 | -82.1 | -159.7 | 178.5 | 99.2 | -0 | 112.6 | | |
| 60 | A | 31.8 | Very low | 37.2 | Very low | 95 Ų | 95 | 136.1 Ų | 136.1 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | 60.6 | 104 | 130.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 61 | L | 35.2 | Very low | 36.9 | Very low | 154 Ų | 154 | 130.4 Ų | 130.4 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | | | | 54.4 | 114.7 | 116.2 | -153.5 | 93.7 | 0 | 0 | 0 | 120.7 | | |
| 62 | A | 34.8 | Very low | 36.8 | Very low | 101 Ų | 101 | 130.1 Ų | 130.1 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | | -173.9 | 154.5 | 125.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 63 | R | 41.1 | Very low | 36.5 | Very low | 214 Ų | 214 | 133.7 Ų | 133.7 | 81% | 0.808 | 81% | 0.808 | S | S | * | * | | | trans | -102.3 | 168.2 | -160 | -48.8 | 177.3 | -179.1 | 114.3 | -1.6 | 113.5 | | |
| 64 | V | 32.6 | Very low | 36.7 | Very low | 145 Ų | 145 | 134.7 Ų | 134.7 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | | | trans | 78.1 | 132.5 | 145.7 | 168 | 0 | 0 | 0 | 0 | 118.5 | | |
| 65 | G | 31.3 | Very low | 36.9 | Very low | 67 Ų | 67 | 136.1 Ų | 136.1 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | | | trans | 132.1 | 92.4 | 138.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 66 | L | 39 | Very low | 37.3 | Very low | 157 Ų | 157 | 140.9 Ų | 140.9 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | | | trans | -0.4 | 125.1 | 149.3 | -166.6 | 75.5 | 0 | 0 | 0 | 118.2 | | |
| 67 | D | 34.9 | Very low | 36.9 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | | | | -152.6 | 138.8 | 129.4 | -140.6 | -23.9 | 0 | 0 | 0 | 112.1 | | |
| 68 | S | 40 | Very low | 37 | Very low | 100 Ų | 100 | 139 Ų | 139 | 70% | 0.699 | 82% | 0.815 | S | S | * | * | | | trans | -106.8 | 110.2 | -178.4 | -68.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 69 | A | 40.2 | Very low | 36.8 | Very low | 96 Ų | 96 | 138.9 Ų | 138.9 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | | | trans | -169.3 | 139.7 | 157.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 70 | S | 33.8 | Very low | 37.5 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 92% | 0.923 | 81% | 0.813 | S | S | * | * | | | trans | 75.1 | 123.9 | 161.8 | -153.3 | 0 | 0 | 0 | 0 | 115 | | |
| 71 | G | 33.7 | Very low | 38 | Very low | 64 Ų | 64 | 138.3 Ų | 138.3 | 66% | 0.66 | 81% | 0.81 | S | S | * | * | | | cis | 149.8 | 146.5 | 20.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 72 | A | 38.3 | Very low | 38.5 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | | | trans | 73.1 | 89.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 73 | K | 37.2 | Very low | 38.8 | Very low | 206 Ų | 206 | 142.9 Ų | 142.9 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | | | trans | -81.7 | 110.5 | 153.5 | 29 | 179.3 | 167.2 | 179 | 0 | 108 | K75 | K73-K75 PolarHBondContact O-N 3.39Š|
| 74 | T | 42 | Very low | 39.3 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -81 | 94.5 | 171.1 | 41.4 | 0 | 0 | 0 | 0 | 109.8 | L76 | T74-L76 PolarHBondContact O-N 3.02Š|
| 75 | K | 39 | Very low | 39.7 | Very low | 190 Ų | 190 | 138.4 Ų | 138.4 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | | | trans | -81.4 | 102.7 | 167.3 | -164.7 | -171.8 | -175.3 | -165.6 | 0 | 107.6 | K73 S77 | K73-K75 PolarHBondContact O-N 3.39Å; K75-S77 PolarHBondContact O-N 3.38Å |
| 76 | L | 44 | Very low | 40 | Very low | 173 Ų | 173 | 141.9 Ų | 141.9 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | | | trans | -76.9 | 96.6 | 171 | -67.9 | 165.9 | 0 | 0 | 0 | 108.3 | T74 | T74-L76 PolarHBondContact O-N 3.02Š|
| 77 | S | 32.6 | Very low | 40.4 | Very low | 96 Ų | 96 | 139.9 Ų | 139.9 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | | | trans | -100 | 121 | 169.9 | 62.7 | 0 | 0 | 0 | 0 | 110 | K75 S79 | K75-S77 PolarHBondContact O-N 3.38Å; S77-S79 PolarHBondContact O-N 3.48Å |
| 78 | N | 37.4 | Very low | 41.3 | Very low | 169 Ų | 169 | 143.2 Ų | 143.2 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | | | trans | -53.1 | 126.5 | 166.7 | -88.3 | -59.3 | 0 | 0 | 0 | 111.2 | | |
| 79 | S | 37.6 | Very low | 41.5 | Very low | 118 Ų | 118 | 148.5 Ų | 148.5 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | trans | -105.2 | 97.9 | 167.4 | 63.4 | 0 | 0 | 0 | 0 | 110.1 | S77 | S77-S79 PolarHBondContact O-N 3.48Š|
| 80 | K | 51.2 | Low | 42 | Very low | 192 Ų | 192 | 150.8 Ų | 150.8 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | | | trans | -94.1 | 101.5 | 166.6 | 173.6 | 171.2 | 178.6 | 173.7 | 0 | 107.2 | | |
| 81 | D | 42.9 | Very low | 42.9 | Very low | 137 Ų | 137 | 150.2 Ų | 150.2 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | | | trans | -158.8 | 119 | 164.1 | -89.8 | -55.4 | 0 | 0 | 0 | 112.1 | | |
| 82 | T | 44.8 | Very low | 43.7 | Very low | 99 Ų | 99 | 159.3 Ų | 159.3 | 61% | 0.607 | 83% | 0.828 | S | S | * | * | | | | 59.4 | 89.2 | 126.6 | -52.4 | 0 | 0 | 0 | 0 | 118.3 | H84 | T82-H84 HydrophobicContact CG2-CB 4.49Š|
| 83 | W | 41.5 | Very low | 43.9 | Very low | 253 Ų | 253 | 157.5 Ų | 157.5 | 96% | 0.958 | 82% | 0.819 | S | S | * | * | | | trans | -105.5 | 73.8 | 156.6 | -71.3 | 103.4 | 0 | 0 | 0 | 110.3 | | |
| 84 | H | 52.4 | Low | 44.2 | Very low | 155 Ų | 155 | 154.4 Ų | 154.4 | 72% | 0.718 | 82% | 0.818 | S | S | * | * | | | trans | -86.9 | 131.1 | 159.7 | -76.2 | -57.7 | 0 | 0 | 0 | 109.5 | T82 | T82-H84 HydrophobicContact CG2-CB 4.49Š|
| 85 | C | 39.2 | Very low | 43.9 | Very low | 110 Ų | 110 | 153.9 Ų | 153.9 | 74% | 0.743 | 82% | 0.82 | S | S | * | * | | | trans | 60.5 | 93.9 | 149.2 | -60.2 | 0 | 0 | 0 | 0 | 118.2 | | |
| 86 | C | 38.3 | Very low | 44.2 | Very low | 139 Ų | 139 | 150 Ų | 150 | 94% | 0.939 | 82% | 0.816 | S | S | * | * | | | trans | -124.4 | 74.9 | 147 | -91.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 87 | T | 48.1 | Very low | 44.6 | Very low | 115 Ų | 115 | 152.1 Ų | 152.1 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | | | trans | -87.6 | 136.1 | 157.2 | 48.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 88 | R | 52.7 | Low | 45 | Very low | 230 Ų | 230 | 153 Ų | 153 | 87% | 0.868 | 82% | 0.819 | S | S | * | * | | | trans | 84.4 | 106.9 | 168.8 | -51.1 | 177.4 | -140.4 | -108.4 | 0.4 | 117 | | |
| 89 | K | 45.1 | Very low | 45.2 | Very low | 212 Ų | 212 | 152.7 Ų | 152.7 | 92% | 0.922 | 81% | 0.811 | S | S | * | * | | | | -146.8 | 121.5 | 121.7 | -105.9 | 156.7 | 84.7 | -175.3 | 0 | 110.1 | | |
| 90 | T | 49.8 | Very low | 45.7 | Very low | 144 Ų | 144 | 156.2 Ų | 156.2 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | | | trans | -79.5 | 114.3 | 169.2 | 51.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 91 | S | 52.4 | Low | 45.8 | Very low | 120 Ų | 120 | 157.9 Ų | 157.9 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | | | trans | -102.8 | 114.9 | 163.5 | 53.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 92 | R | 50.6 | Low | 46.4 | Very low | 255 Ų | 255 | 161 Ų | 161 | 96% | 0.962 | 81% | 0.809 | S | S | * | * | | | trans | -69.3 | 119.8 | 172.9 | -169.8 | -177 | -63.6 | -108.6 | 0.7 | 107.6 | | |
| 93 | G | 42.4 | Very low | 47 | Very low | 64 Ų | 64 | 164.7 Ų | 164.7 | 66% | 0.66 | 81% | 0.812 | S | S | * | * | | | trans | -171.3 | 92.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 94 | T | 43.5 | Very low | 47.8 | Very low | 140 Ų | 140 | 158 Ų | 158 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | | | trans | 59.8 | 77.9 | 144.6 | -29.8 | 0 | 0 | 0 | 0 | 117.9 | S96 | T94-S96 PolarHBondContact O-N 3.19Š|
| 95 | S | 36.5 | Very low | 48 | Very low | 121 Ų | 121 | 157.1 Ų | 157.1 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | | | trans | -64 | 99.9 | 158.9 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | R97 | S95-R97 PolarHBondContact O-N 2.92Š|
| 96 | S | 44.7 | Very low | 49 | Very low | 108 Ų | 108 | 156.2 Ų | 156.2 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | | | trans | -71 | 104 | 162.7 | 175 | 0 | 0 | 0 | 0 | 108 | T94 S98 | T94-S96 PolarHBondContact O-N 3.19Å; S96-S98 VanDerWaalsContact C-N 3.28Å; S96-S98 PolarHBondContact O-N 3.34Å |
| 97 | R | 52.5 | Low | 50 | Low | 218 Ų | 218 | 154.9 Ų | 154.9 | 82% | 0.823 | 78% | 0.782 | S | S | * | * | | | trans | -61.2 | 86.8 | 173.3 | -177.3 | -177.5 | -178.9 | -113.2 | 7.4 | 109.4 | S95 Q99 | S95-R97 PolarHBondContact O-N 2.92Å; R97-Q99 PolarHBondContact O-N 3.02Å |
| 98 | S | 41.7 | Very low | 50.6 | Low | 115 Ų | 115 | 156.2 Ų | 156.2 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -63.4 | 112.2 | 167.8 | -179.7 | 0 | 0 | 0 | 0 | 108.9 | S96 R100 | S96-S98 VanDerWaalsContact C-N 3.28Å; S96-S98 PolarHBondContact O-N 3.34Å; S98-R100 PolarHBondContact O-N 2.91Å |
| 99 | Q | 40.6 | Very low | 51.1 | Low | 161 Ų | 161 | 152.6 Ų | 152.6 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | | | trans | -63.9 | 110.5 | -176.2 | -178 | 172.3 | -3.9 | 0 | 0 | 110.7 | R97 R101 | R97-Q99 PolarHBondContact O-N 3.02Å; Q99-R101 PolarHBondContact O-N 2.75Å |
| 100 | R | 48.7 | Very low | 51.7 | Low | 193 Ų | 193 | 150 Ų | 150 | 73% | 0.728 | 77% | 0.772 | S | S | * | * | | | trans | -13.9 | 93.7 | 158.4 | -171.5 | -178.7 | -169.7 | -112.6 | 10.1 | 114 | S98 R102 | S98-R100 PolarHBondContact O-N 2.91Å; R100-R102 HydrophobicContact CG-CG 4.35Å |
| 101 | R | 52.8 | Low | 52.4 | Low | 226 Ų | 226 | 148.2 Ų | 148.2 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | | | trans | -111.4 | 87 | 152.2 | -78.4 | -171.1 | 163.4 | -117 | -3.5 | 108.5 | Q99 R103 | Q99-R101 PolarHBondContact O-N 2.75Å; R101-R103 VanDerWaalsContact C-N 3.27Å; R101-R103 PolarHBondContact O-N 3.44Å |
| 102 | R | 56 | Low | 53 | Low | 202 Ų | 202 | 147.8 Ų | 147.8 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | | | trans | -53.5 | 94.6 | 156.8 | -77.3 | -179.1 | 155.8 | -145.6 | -2.8 | 108.4 | R100 | R100-R102 HydrophobicContact CG-CG 4.35Š|
| 103 | R | 57.1 | Low | 53.3 | Low | 177 Ų | 177 | 147 Ų | 147 | 67% | 0.668 | 75% | 0.754 | S | S | * | * | | | trans | -124 | 77.9 | 155.5 | -98.3 | -168.5 | 170.5 | -116.2 | 3.7 | 107.2 | R101 K105 | R101-R103 VanDerWaalsContact C-N 3.27Å; R101-R103 PolarHBondContact O-N 3.44Å; R103-K105 HydrophobicContact CB-CD 4.44Å; R103-K105 HydrophobicContact CG-CD 3.93Å; R103-K105 PolarHBondContact O-N 3.48Å |
| 104 | S | 58 | Low | 54.2 | Low | 112 Ų | 112 | 151.8 Ų | 151.8 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | | | trans | -63.5 | 87.5 | 146.8 | 52.7 | 0 | 0 | 0 | 0 | 106.7 | | |
| 105 | K | 56.8 | Low | 55 | Low | 137 Ų | 137 | 150.8 Ų | 150.8 | 60% | 0.596 | 75% | 0.751 | S | S | * | * | | | trans | -125.5 | 62.2 | 162.1 | -98.7 | 103.3 | 169.1 | -168.5 | 0 | 106.8 | R103 | R103-K105 HydrophobicContact CB-CD 4.44Å; R103-K105 HydrophobicContact CG-CD 3.93Å; R103-K105 PolarHBondContact O-N 3.48Å |
| 106 | S | 60.8 | Low | 55.6 | Low | 92 Ų | 92 | 154.3 Ų | 154.3 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | | | trans | -58.1 | 126.2 | 142.4 | 30.3 | 0 | 0 | 0 | 0 | 106.2 | I108 | S106-I108 PolarHBondContact O-N 2.81Š|
| 107 | P | 58.8 | Low | 55.5 | Low | 110 Ų | 110 | 154.9 Ų | 154.9 | 71% | 0.714 | 75% | 0.75 | S | S | * | * | | | trans | -57.3 | 125.1 | 164.1 | 24.2 | -29.7 | 0 | 0 | 0 | 106.2 | L109 | P107-L109 PolarHBondContact O-N 2.84Š|
| 108 | I | 60.2 | Low | 55 | Low | 144 Ų | 144 | 149.5 Ų | 149.5 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | | | trans | -68.6 | 87.8 | 173.7 | -57.5 | 168.2 | 0 | 0 | 0 | 105 | S106 H110 | S106-I108 PolarHBondContact O-N 2.81Å; I108-H110 VanDerWaalsContact C-N 3.35Å; I108-H110 PolarHBondContact O-N 3.28Å |
| 109 | L | 65 | Low | 55.2 | Low | 153 Ų | 153 | 150 Ų | 150 | 80% | 0.801 | 75% | 0.749 | S | S | * | * | | | trans | -60.9 | 108 | 159.6 | -98.6 | 135.1 | 0 | 0 | 0 | 104.9 | P107 P111 | P107-L109 PolarHBondContact O-N 2.84Å; L109-P111 WeakPolarHBondContact O-CD 3.33Å |
| 110 | H | 57.3 | Low | 55.3 | Low | 159 Ų | 159 | 146.5 Ų | 146.5 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 123.5 | 165.2 | -81 | -89.2 | 0 | 0 | 0 | 106.7 | I108 | I108-H110 VanDerWaalsContact C-N 3.35Å; I108-H110 PolarHBondContact O-N 3.28Å |
| 111 | P | 63.6 | Low | 54.9 | Low | 105 Ų | 105 | 142.2 Ų | 142.2 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 134.2 | 171.3 | 22.8 | -30 | 0 | 0 | 0 | 107.6 | L109 R113 | L109-P111 WeakPolarHBondContact O-CD 3.33Å; P111-R113 PolarHBondContact O-N 3.25Å; P111-R113 VanDerWaalsContact O-N 3.15Å |
| 112 | P | 65.8 | Low | 54.1 | Low | 112 Ų | 112 | 137 Ų | 137 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 125.5 | 179.2 | 17.9 | -28.1 | 0 | 0 | 0 | 108.6 | F114 | P112-F114 VanDerWaalsContact C-N 3.27Å; P112-F114 PolarHBondContact O-N 2.68Å |
| 113 | R | 56.1 | Low | 53.1 | Low | 237 Ų | 237 | 131.1 Ų | 131.1 | 89% | 0.894 | 75% | 0.746 | S | S | * | * | | | trans | -69.3 | 93.8 | 172.1 | -68.4 | -149.7 | 132.9 | 168.4 | -1.5 | 107.1 | P111 T115 | P111-R113 PolarHBondContact O-N 3.25Å; P111-R113 VanDerWaalsContact O-N 3.15Å; R113-T115 VanDerWaalsContact C-N 3.26Å; R113-T115 PolarHBondContact O-N 3.38Å |
| 114 | F | 61.8 | Low | 52.3 | Low | 165 Ų | 165 | 130.9 Ų | 130.9 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | | | trans | -62.5 | 98.6 | 159.5 | 51.3 | -90.1 | 0 | 0 | 0 | 106.1 | P112 Y116 | P112-F114 VanDerWaalsContact C-N 3.27Å; P112-F114 PolarHBondContact O-N 2.68Å; F114-Y116 AromaticContact CD2-CD2 3.58Å; F114-Y116 HydrophobicContact CD2-CD2 3.58Å; F114-Y116 AromaticContact CD2-CE2 3.61Å; F114-Y116 HydrophobicContact CD2-CE2 3.61Å; F114-Y116 AromaticContact CE2-CD2 3.92Å; F114-Y116 HydrophobicContact CE2-CD2 3.92Å; F114-Y116 AromaticContact CE2-CE2 3.77Å; F114-Y116 HydrophobicContact CE2-CE2 3.77Å; F114-Y116 PolarHBondContact O-N 3.35Å; F114-Y116 VanDerWaalsContact O-N 3.09Å |
| 115 | T | 60.3 | Low | 51.4 | Low | 119 Ų | 119 | 130.1 Ų | 130.1 | 73% | 0.73 | 76% | 0.757 | S | S | * | * | | | trans | -68.3 | 102.4 | 161.8 | 45 | 0 | 0 | 0 | 0 | 105.7 | R113 C117 | R113-T115 VanDerWaalsContact C-N 3.26Å; R113-T115 PolarHBondContact O-N 3.38Å; T115-C117 PolarHBondContact O-N 3.11Å |
| 116 | Y | 49.5 | Very low | 51.1 | Low | 195 Ų | 195 | 129.3 Ų | 129.3 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | | | trans | -57.5 | 111.2 | 159.7 | -93.8 | -89.1 | 0 | 0 | 0 | 106.5 | F114 S118 | F114-Y116 AromaticContact CD2-CD2 3.58Å; F114-Y116 HydrophobicContact CD2-CD2 3.58Å; F114-Y116 AromaticContact CD2-CE2 3.61Å; F114-Y116 HydrophobicContact CD2-CE2 3.61Å; F114-Y116 AromaticContact CE2-CD2 3.92Å; F114-Y116 HydrophobicContact CE2-CD2 3.92Å; F114-Y116 AromaticContact CE2-CE2 3.77Å; F114-Y116 HydrophobicContact CE2-CE2 3.77Å; F114-Y116 PolarHBondContact O-N 3.35Å; F114-Y116 VanDerWaalsContact O-N 3.09Å; Y116-S118 PolarHBondContact O-N 3.11Å |
| 117 | C | 42.6 | Very low | 50.7 | Low | 121 Ų | 121 | 131.1 Ų | 131.1 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | -64.7 | 89.3 | 162.9 | -66.5 | 0 | 0 | 0 | 0 | 107 | T115 S119 | T115-C117 PolarHBondContact O-N 3.11Å; C117-S119 VanDerWaalsContact C-N 3.35Å; C117-S119 PolarHBondContact O-N 3.04Å |
| 118 | S | 42 | Very low | 49.7 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | trans | -65.4 | 103.3 | 158.3 | -64.7 | 0 | 0 | 0 | 0 | 106.5 | Y116 A120 | Y116-S118 PolarHBondContact O-N 3.11Å; S118-A120 VanDerWaalsContact C-N 3.29Å; S118-A120 PolarHBondContact O-N 3.06Å |
| 119 | S | 45.2 | Very low | 48.6 | Very low | 125 Ų | 125 | 126.9 Ų | 126.9 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | | | trans | -63.4 | 96.9 | 163.7 | -170.6 | 0 | 0 | 0 | 0 | 107.4 | C117 | C117-S119 VanDerWaalsContact C-N 3.35Å; C117-S119 PolarHBondContact O-N 3.04Å |
| 120 | A | 42.5 | Very low | 47.3 | Very low | 88 Ų | 88 | 123 Ų | 123 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | -134.3 | 86.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | S118 S122 | S118-A120 VanDerWaalsContact C-N 3.29Å; S118-A120 PolarHBondContact O-N 3.06Å; A120-S122 PolarHBondContact O-N 3.26Å |
| 121 | A | 40.4 | Very low | 46.5 | Very low | 103 Ų | 103 | 123.5 Ų | 123.5 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | trans | -69.3 | 111.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 122 | S | 35.8 | Very low | 45.4 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | | 166 | 137.2 | 121 | -163.1 | 0 | 0 | 0 | 0 | 112.5 | A120 | A120-S122 PolarHBondContact O-N 3.26Š|
| 123 | A | 36.4 | Very low | 44.3 | Very low | 78 Ų | 78 | 130.6 Ų | 130.6 | 65% | 0.645 | 80% | 0.803 | S | S | * | * | | | trans | 83.1 | 101.3 | 151.9 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 124 | L | 38.8 | Very low | 43.4 | Very low | 172 Ų | 172 | 128.1 Ų | 128.1 | 90% | 0.901 | 80% | 0.802 | S | S | * | * | | | | 66.8 | 119.9 | 129.4 | -76.6 | 114.7 | 0 | 0 | 0 | 122.2 | | |
| 125 | A | 39.9 | Very low | 42.1 | Very low | 95 Ų | 95 | 132.2 Ų | 132.2 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | | | trans | 98.3 | 154.3 | 139.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 126 | P | 50 | Low | 41.1 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | | | | -115.6 | -176.7 | -126.3 | 42 | -25.6 | 0 | 0 | 0 | 114.5 | | |
| 127 | P | 53.4 | Low | 40.3 | Very low | 130 Ų | 130 | 129.1 Ų | 129.1 | 84% | 0.844 | 82% | 0.815 | S | S | * | * | | | trans | -90.2 | 138 | -151.4 | 36 | -32.4 | 0 | 0 | 0 | 113.7 | | |
| 128 | G | 38.1 | Very low | 39.7 | Very low | 85 Ų | 85 | 130 Ų | 130 | 88% | 0.876 | 82% | 0.816 | S | S | * | * | | | trans | -116.8 | 96.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 129 | G | 35.2 | Very low | 39.3 | Very low | 81 Ų | 81 | 130 Ų | 130 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | | | trans | -87.1 | 141.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 130 | G | 39.3 | Very low | 38.9 | Very low | 70 Ų | 70 | 131.1 Ų | 131.1 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | | | trans | 89.7 | 158.6 | 133.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 131 | L | 40.8 | Very low | 39 | Very low | 170 Ų | 170 | 132.6 Ų | 132.6 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | | | trans | 85 | 95.2 | 169.9 | -52.4 | 168 | 0 | 0 | 0 | 113.7 | | |
| 132 | K | 38.6 | Very low | 38.6 | Very low | 190 Ų | 190 | 132 Ų | 132 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | | | | 68.6 | 134.6 | 61.1 | -150.3 | -176.7 | -172.1 | -174.8 | 0 | 112.9 | | |
| 133 | Q | 44.5 | Very low | 38.5 | Very low | 176 Ų | 176 | 130.5 Ų | 130.5 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | | | trans | 105.7 | 107 | 169.6 | -56.9 | -170.2 | 26.5 | 0 | 0 | 112.7 | | |
| 134 | Q | 36.3 | Very low | 38.4 | Very low | 186 Ų | 186 | 134.2 Ų | 134.2 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | | | | 56.3 | 91.5 | 54.8 | -165 | -174.5 | 1.2 | 0 | 0 | 112.8 | | |
| 135 | R | 35 | Very low | 38.2 | Very low | 251 Ų | 251 | 133.5 Ų | 133.5 | 95% | 0.947 | 81% | 0.811 | S | S | * | * | | | | -159.8 | 139.2 | 127.3 | -136.3 | 175.7 | -167.3 | -150.6 | 1.9 | 112.9 | | |
| 136 | L | 38.6 | Very low | 38.2 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | | | trans | -95.9 | 143.8 | -178.8 | -177.2 | 77.8 | 0 | 0 | 0 | 109.2 | | |
| 137 | A | 33 | Very low | 37.9 | Very low | 84 Ų | 84 | 134.7 Ų | 134.7 | 69% | 0.694 | 81% | 0.807 | S | S | * | * | | | trans | 147.9 | 113.8 | 149.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 138 | V | 30.8 | Very low | 37 | Very low | 138 Ų | 138 | 134.6 Ų | 134.6 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | | | | 69.9 | 126.7 | 89.6 | 167.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 139 | S | 33.1 | Very low | 36.8 | Very low | 106 Ų | 106 | 139.1 Ų | 139.1 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | | | cis | -165 | 164.5 | -2.9 | -86.2 | 0 | 0 | 0 | 0 | 107.7 | | |
| 140 | D | 36.1 | Very low | 36.6 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | trans | -38.8 | 161.3 | 159.4 | -117.3 | -36.9 | 0 | 0 | 0 | 114.1 | | |
| 141 | P | 45.7 | Very low | 36.3 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | | -157.1 | 159.5 | 58.9 | 40.2 | -17.5 | 0 | 0 | 0 | 119.8 | | |
| 142 | A | 30.6 | Very low | 35.9 | Very low | 91 Ų | 91 | 146.7 Ų | 146.7 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | | | trans | 82.2 | 147.3 | 132.7 | 0 | 0 | 0 | 0 | 0 | 123.7 | | |
| 143 | A | 34.7 | Very low | 35.6 | Very low | 84 Ų | 84 | 149 Ų | 149 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | | | trans | 85 | 100.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 144 | D | 34.6 | Very low | 35.1 | Very low | 156 Ų | 156 | 146 Ų | 146 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | | | | 88.1 | 104.5 | 85.5 | -83.4 | -56.2 | 0 | 0 | 0 | 110.7 | | |
| 145 | D | 34.3 | Very low | 35.1 | Very low | 158 Ų | 158 | 143 Ų | 143 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | | | | -175.2 | 132.3 | 128.5 | -128.1 | -92.8 | 0 | 0 | 0 | 110.6 | | |
| 146 | V | 39.4 | Very low | 35 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | | | trans | -136 | 136.8 | 172.3 | -175.9 | 0 | 0 | 0 | 0 | 102.9 | | |
| 147 | P | 44.6 | Very low | 35.5 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | | | | -158.4 | 178.7 | 59.6 | 36.3 | -11.9 | 0 | 0 | 0 | 116.9 | | |
| 148 | V | 34.7 | Very low | 36.1 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 78% | 0.782 | 79% | 0.79 | S | S | * | * | | | trans | 167.5 | 101.5 | 145.3 | 150.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 149 | Q | 32.8 | Very low | 36.1 | Very low | 179 Ų | 179 | 132.9 Ų | 132.9 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | | | | 53.6 | 127.6 | 101.2 | -63.1 | -83.2 | -9.1 | 0 | 0 | 113 | | |
| 150 | A | 32.2 | Very low | 36.3 | Very low | 81 Ų | 81 | 134 Ų | 134 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | | | cis | -164.7 | 162 | 20.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 151 | E | 32.3 | Very low | 36.2 | Very low | 170 Ų | 170 | 130.7 Ų | 130.7 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | | | trans | 76 | 104.8 | 143.3 | -131.2 | -169.3 | 123.6 | 0 | 0 | 122.8 | | |
| 152 | R | 31.8 | Very low | 35.9 | Very low | 229 Ų | 229 | 130.2 Ų | 130.2 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | | 176.3 | 137.9 | 102.2 | -101.1 | -163 | 167 | -149.1 | 0.5 | 113.1 | | |
| 153 | R | 32.2 | Very low | 36.8 | Very low | 238 Ų | 238 | 132 Ų | 132 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | | | trans | -76.2 | 162 | 167 | -61.9 | 175.5 | 167.1 | 174.2 | -4.6 | 109 | | |
| 154 | S | 35.3 | Very low | 37.1 | Very low | 115 Ų | 115 | 135 Ų | 135 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | | | cis | -177.3 | 172.7 | 28 | -134.4 | 0 | 0 | 0 | 0 | 110 | | |
| 155 | S | 35.2 | Very low | 37.6 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | | | trans | 89.1 | 130.4 | 160.1 | -164.9 | 0 | 0 | 0 | 0 | 116.9 | | |
| 156 | A | 33.1 | Very low | 37.7 | Very low | 93 Ų | 93 | 136.9 Ų | 136.9 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | | | cis | -152.4 | 175.3 | 17.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 157 | V | 49.9 | Very low | 37.8 | Very low | 139 Ų | 139 | 133.4 Ų | 133.4 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | | | trans | -90.4 | -166.6 | -159.4 | -141.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 158 | P | 44.5 | Very low | 37.4 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | | | | -119.4 | 171.7 | -125.9 | 40.7 | -19.5 | 0 | 0 | 0 | 114.5 | | |
| 159 | G | 31.9 | Very low | 37.7 | Very low | 83 Ų | 83 | 133.9 Ų | 133.9 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | | | trans | -132.1 | 91.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 160 | C | 35.4 | Very low | 38.3 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | | | trans | -81.5 | 130.8 | 166.9 | -73.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 161 | G | 34.2 | Very low | 38.5 | Very low | 81 Ų | 81 | 132.7 Ų | 132.7 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | | | trans | -115.1 | 112 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 162 | S | 40.1 | Very low | 38.8 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 155 | 168.5 | -82.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 163 | P | 48.5 | Very low | 39 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 137.6 | 172.2 | 33.7 | -30.6 | 0 | 0 | 0 | 110.7 | | |
| 164 | V | 41.7 | Very low | 39.4 | Very low | 148 Ų | 148 | 126.7 Ų | 126.7 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -94 | 130.1 | 177.6 | 175.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 165 | L | 46.3 | Very low | 39.8 | Very low | 159 Ų | 159 | 131.1 Ų | 131.1 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | | | trans | -128.1 | 128.1 | 173.6 | -135.4 | 166.6 | 0 | 0 | 0 | 105.9 | | |
| 166 | F | 35.6 | Very low | 39.7 | Very low | 193 Ų | 193 | 132.4 Ų | 132.4 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | | | trans | 170.8 | 130.2 | 155.9 | -119.8 | -102.9 | 0 | 0 | 0 | 106.1 | | |
| 167 | G | 42.1 | Very low | 39.7 | Very low | 61 Ų | 61 | 131.3 Ų | 131.3 | 63% | 0.629 | 81% | 0.805 | S | S | * | * | | | cis | 95.5 | 117.6 | 37.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 168 | V | 35.1 | Very low | 38.7 | Very low | 136 Ų | 136 | 128.3 Ų | 128.3 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | | | trans | 158.3 | 122.8 | 144.7 | 164.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 169 | S | 41.1 | Very low | 38.2 | Very low | 108 Ų | 108 | 130 Ų | 130 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | | | trans | -77.7 | 166.5 | 164.9 | -49.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 170 | P | 45.8 | Very low | 38.2 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | | | | -138.4 | 151.7 | 125.3 | 32.2 | -16.7 | 0 | 0 | 0 | 115.3 | | |
| 171 | S | 36.9 | Very low | 38.8 | Very low | 107 Ų | 107 | 129.1 Ų | 129.1 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | trans | -68.7 | 143.9 | 171.6 | 172.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 172 | Y | 37.4 | Very low | 38.8 | Very low | 220 Ų | 220 | 129.8 Ų | 129.8 | 86% | 0.863 | 79% | 0.791 | S | S | * | * | | | | -148.2 | 135.5 | 127.3 | 63.7 | -89.7 | 0 | 0 | 0 | 110.8 | | |
| 173 | E | 37.2 | Very low | 39.2 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 73% | 0.729 | 80% | 0.795 | S | S | * | * | | | trans | -116.1 | 127 | 174 | 173.4 | 170.2 | -163.5 | 0 | 0 | 107 | | |
| 174 | T | 39.5 | Very low | 38.4 | Very low | 134 Ų | 134 | 132.9 Ų | 132.9 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | | | trans | -144.7 | 125.7 | 158 | -53.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 175 | R | 45.1 | Very low | 38.1 | Very low | 208 Ų | 208 | 132 Ų | 132 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | -107.2 | 168.5 | 173.8 | -72.7 | -150.4 | 177.6 | -157.1 | 0.9 | 111.7 | | |
| 176 | V | 32 | Very low | 37.4 | Very low | 150 Ų | 150 | 128.2 Ų | 128.2 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | | | trans | 85.4 | 131 | 167.5 | -166.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 177 | G | 32.5 | Very low | 37.2 | Very low | 70 Ų | 70 | 125.3 Ų | 125.3 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | cis | 140.5 | 130.3 | 9.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 178 | G | 30.8 | Very low | 36.7 | Very low | 75 Ų | 75 | 127 Ų | 127 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | trans | 98.2 | 127.2 | 152.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 179 | V | 32.8 | Very low | 36.4 | Very low | 148 Ų | 148 | 125.5 Ų | 125.5 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | | | trans | 69.3 | 133.8 | 137.1 | -165.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 180 | G | 32.7 | Very low | 36.3 | Very low | 63 Ų | 63 | 125.1 Ų | 125.1 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | | | trans | -64.7 | -168.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 181 | P | 47.9 | Very low | 36 | Very low | 129 Ų | 129 | 124.6 Ų | 124.6 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | cis | -139 | -174.3 | 36.2 | 37.1 | -15.4 | 0 | 0 | 0 | 115.6 | | |
| 182 | S | 33.8 | Very low | 36.2 | Very low | 95 Ų | 95 | 125.3 Ų | 125.3 | 66% | 0.664 | 79% | 0.79 | S | S | * | * | | | trans | -23.2 | 155.8 | 157.9 | -158.1 | 0 | 0 | 0 | 0 | 117.3 | | |
| 183 | P | 49.4 | Very low | 36 | Very low | 131 Ų | 131 | 124.7 Ų | 124.7 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | | | | -136 | 160.7 | 96.4 | 33.8 | -19 | 0 | 0 | 0 | 116.1 | | |
| 184 | E | 31.4 | Very low | 35.9 | Very low | 171 Ų | 171 | 128.1 Ų | 128.1 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | | | trans | -88.2 | 177.9 | -173.6 | -166.7 | -173.9 | 150 | 0 | 0 | 112.7 | | |
| 185 | V | 34.5 | Very low | 35.6 | Very low | 130 Ų | 130 | 129 Ų | 129 | 79% | 0.788 | 79% | 0.788 | S | S | * | * | | | trans | 97.1 | 127.6 | 162.5 | -172.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 186 | A | 31.9 | Very low | 35 | Very low | 78 Ų | 78 | 121.5 Ų | 121.5 | 65% | 0.645 | 78% | 0.775 | S | S | * | * | | | cis | -157.7 | 136.1 | 15.7 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 187 | T | 31.1 | Very low | 35 | Very low | 132 Ų | 132 | 117.8 Ų | 117.8 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | | | | 89.8 | 105 | 96.3 | -56.7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 188 | A | 31.3 | Very low | 35 | Very low | 96 Ų | 96 | 123.3 Ų | 123.3 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | | | trans | 36.2 | 129.6 | 135.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 189 | A | 29.4 | Very low | 35.2 | Very low | 106 Ų | 106 | 125.8 Ų | 125.8 | 88% | 0.876 | 78% | 0.779 | S | S | * | * | | | | -172.6 | 132.2 | 113.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 190 | A | 37.9 | Very low | 35.2 | Very low | 99 Ų | 99 | 122.2 Ų | 122.2 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -95 | 169.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 191 | P | 41.6 | Very low | 35.4 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 170.1 | -138.4 | 38 | -38.6 | 0 | 0 | 0 | 115.4 | | |
| 192 | P | 40.4 | Very low | 34.8 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 130.6 | 167.9 | 33.5 | -28.1 | 0 | 0 | 0 | 112.7 | | |
| 193 | R | 32.9 | Very low | 34.8 | Very low | 206 Ų | 206 | 136.9 Ų | 136.9 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 133.8 | 160.9 | 172.2 | -178.1 | -179.4 | 170.3 | -1 | 110.2 | E195 | R193-E195 IonicContact CZ-OE1 3.64Å; R193-E195 IonicContact NE-OE1 3.67Å; R193-E195 IonicContact NH2-OE1 2.79Å; R193-E195 PolarHBondContact NH2-OE1 2.75Å |
| 194 | W | 35.5 | Very low | 34.1 | Very low | 228 Ų | 228 | 137.6 Ų | 137.6 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | | | trans | -121.3 | 125.2 | 158.5 | 60.8 | -80.1 | 0 | 0 | 0 | 109.1 | | |
| 195 | E | 32.1 | Very low | 34.3 | Very low | 153 Ų | 153 | 134 Ų | 134 | 72% | 0.715 | 79% | 0.794 | S | S | * | * | | | trans | -83.7 | 141.7 | 162.5 | -66.2 | -152.9 | 178.3 | 0 | 0 | 108.7 | R193 | R193-E195 IonicContact CZ-OE1 3.64Å; R193-E195 IonicContact NE-OE1 3.67Å; R193-E195 IonicContact NH2-OE1 2.79Å; R193-E195 PolarHBondContact NH2-OE1 2.75Å |
| 196 | G | 32.3 | Very low | 34.3 | Very low | 50 Ų | 50 | 133.5 Ų | 133.5 | 52% | 0.515 | 80% | 0.797 | S | S | . | * | | | trans | -156.6 | 91.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 197 | G | 31.7 | Very low | 34.4 | Very low | 72 Ų | 72 | 137.6 Ų | 137.6 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | | | trans | -78 | 139.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 198 | H | 33.2 | Very low | 34.4 | Very low | 186 Ų | 186 | 134.9 Ų | 134.9 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | | | trans | -137.6 | 119.2 | 162.1 | -70.8 | -96.3 | 0 | 0 | 0 | 109.4 | | |
| 199 | S | 35.2 | Very low | 34.5 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | | | trans | -68.2 | 146.1 | 170.4 | 52.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 200 | G | 32.5 | Very low | 35.1 | Very low | 73 Ų | 73 | 136.4 Ų | 136.4 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | | | trans | -175.4 | 87.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 201 | E | 37.9 | Very low | 35.1 | Very low | 199 Ų | 199 | 135.8 Ų | 135.8 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | | | trans | -77.8 | 123.9 | 169.1 | -62 | 169.9 | 95.2 | 0 | 0 | 109 | | |
| 202 | E | 34.2 | Very low | 35.1 | Very low | 196 Ų | 196 | 135.9 Ų | 135.9 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | | | trans | -145.8 | 126.4 | 151.5 | 51.4 | -170.6 | 98.5 | 0 | 0 | 111.5 | | |
| 203 | K | 35.4 | Very low | 35.1 | Very low | 201 Ų | 201 | 137.9 Ų | 137.9 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | | | trans | -110.6 | 113.4 | -171.9 | 172.3 | -176.9 | -179.2 | 175.6 | 0 | 106.7 | | |
| 204 | V | 33.3 | Very low | 36 | Very low | 146 Ų | 146 | 139.5 Ų | 139.5 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | | | trans | -134.1 | 118.6 | 161.2 | 162.9 | 0 | 0 | 0 | 0 | 109 | | |
| 205 | S | 35.8 | Very low | 36.9 | Very low | 94 Ų | 94 | 132.8 Ų | 132.8 | 66% | 0.657 | 80% | 0.803 | S | S | * | * | | | trans | -99.7 | 140.2 | 169.8 | 175.7 | 0 | 0 | 0 | 0 | 108 | | |
| 206 | S | 35.2 | Very low | 37.8 | Very low | 121 Ų | 121 | 131.3 Ų | 131.3 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | trans | -164 | 130.2 | 145.7 | -78.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 207 | D | 33.8 | Very low | 38.4 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | | | trans | -58.8 | 156.7 | 178 | -65.8 | -66.6 | 0 | 0 | 0 | 114.6 | | |
| 208 | G | 31.5 | Very low | 39.4 | Very low | 75 Ų | 75 | 132.8 Ų | 132.8 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | trans | 144.3 | 116.7 | 140.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 209 | A | 33 | Very low | 40.6 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | | | trans | 79 | 99.2 | 151.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 210 | S | 41.2 | Very low | 41.4 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | | | trans | -61.7 | 122.2 | 156.5 | 41.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 211 | A | 39.1 | Very low | 42.8 | Very low | 87 Ų | 87 | 134.6 Ų | 134.6 | 72% | 0.719 | 77% | 0.77 | S | S | * | * | | | trans | -131.8 | 136.5 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109 | L213 | A211-L213 PolarHBondContact O-N 2.84Š|
| 212 | P | 40.3 | Very low | 43.6 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | | | trans | -72.7 | 130.2 | -176.5 | -7.7 | 23.8 | 0 | 0 | 0 | 110.6 | R214 | P212-R214 PolarHBondContact O-N 3.14Š|
| 213 | L | 40 | Very low | 44.3 | Very low | 164 Ų | 164 | 123.1 Ų | 123.1 | 86% | 0.859 | 73% | 0.726 | S | S | * | * | | | trans | -51.4 | 106.2 | 170.5 | -76.6 | 156.9 | 0 | 0 | 0 | 110.5 | A211 | A211-L213 PolarHBondContact O-N 2.84Š|
| 214 | R | 52.7 | Low | 45.3 | Very low | 241 Ų | 241 | 116.7 Ų | 116.7 | 91% | 0.909 | 71% | 0.706 | S | S | * | * | | | trans | -100.6 | 87.9 | 158.5 | -62.5 | -163.5 | 100.2 | 168 | 9.5 | 107.6 | P212 | P212-R214 PolarHBondContact O-N 3.14Š|
| 215 | S | 53.5 | Low | 46.2 | Very low | 87 Ų | 87 | 115.7 Ų | 115.7 | 61% | 0.608 | 69% | 0.692 | S | S | * | * | | | trans | -146.9 | 52.7 | 179.8 | -59.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 216 | D | 52.7 | Low | 46.8 | Very low | 121 Ų | 121 | 116.5 Ų | 116.5 | 65% | 0.647 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -127.5 | 4.1 | 169.8 | -153.1 | 12.1 | 0 | 0 | 0 | 112.9 | F220 | D216-F220 VanDerWaalsContact O-CD2 3.27Å; D216-F220 WeakPolarHBondContact O-CD2 3.21Å; D216-F220 VanDerWaalsContact O-CE2 3.28Å; D216-F220 WeakPolarHBondContact O-CE2 3.09Å |
| 217 | A | 45.1 | Very low | 47.2 | Very low | 84 Ų | 84 | 118.5 Ų | 118.5 | 69% | 0.694 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -105.9 | -11 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 218 | A | 52.5 | Low | 47.7 | Very low | 70 Ų | 70 | 114.9 Ų | 114.9 | 58% | 0.579 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -80.5 | -33.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | F220 R221 A222 | A218-F220 PolarHBondContact O-N 3.1Å; A218-R221 PolarHBondContact O-N 2.92Å; A218-A222 PolarHBondContact O-N 3.38Å |
| 219 | D | 57.4 | Low | 48.5 | Very low | 102 Ų | 102 | 115.2 Ų | 115.2 | 55% | 0.545 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -67.7 | -35.2 | -177.2 | -75.6 | -9.7 | 0 | 0 | 0 | 112.8 | R221 A222 L223 | D219-R221 VanDerWaalsContact C-N 3.32Å; D219-R221 PolarHBondContact O-N 2.74Å; D219-A222 PolarHBondContact O-N 3.37Å; D219-L223 VanDerWaalsContact O-CG 3.3Å; D219-L223 WeakPolarHBondContact O-CG 3.39Å; D219-L223 PolarHBondContact O-N 3.23Å |
| 220 | F | 52.2 | Low | 49.2 | Very low | 144 Ų | 144 | 118.7 Ų | 118.7 | 63% | 0.632 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -66.9 | -32.3 | 176.6 | -67.2 | -78.5 | 0 | 0 | 0 | 113.2 | D216 A218 S224 | D216-F220 VanDerWaalsContact O-CD2 3.27Å; D216-F220 WeakPolarHBondContact O-CD2 3.21Å; D216-F220 VanDerWaalsContact O-CE2 3.28Å; D216-F220 WeakPolarHBondContact O-CE2 3.09Å; A218-F220 PolarHBondContact O-N 3.1Å; F220-S224 PolarHBondContact O-N 3.27Å; F220-S224 PolarHBondContact O-OG 3.3Å |
| 221 | R | 61.8 | Low | 49.6 | Very low | 178 Ų | 178 | 115.5 Ų | 115.5 | 67% | 0.672 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73.1 | -41.3 | 176 | -163.5 | -174.2 | -65.9 | -169.7 | -0.4 | 110.7 | A218 D219 L223 S224 E225 | A218-R221 PolarHBondContact O-N 2.92Å; D219-R221 VanDerWaalsContact C-N 3.32Å; D219-R221 PolarHBondContact O-N 2.74Å; R221-L223 VanDerWaalsContact C-N 3.34Å; R221-L223 PolarHBondContact O-N 3.16Å; R221-S224 WeakPolarHBondContact CA-OG 3.12Å; R221-S224 PolarHBondContact O-N 3.31Å; R221-S224 PolarHBondContact O-OG 3.32Å; R221-E225 WeakPolarHBondContact O-CG 3.38Å; R221-E225 PolarHBondContact O-N 3.16Å |
| 222 | A | 55.7 | Low | 49.9 | Very low | 44 Ų | 44 | 116.4 Ų | 116.4 | 36% | 0.364 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -61 | -40.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A218 D219 E225 L226 | A218-A222 PolarHBondContact O-N 3.38Å; D219-A222 PolarHBondContact O-N 3.37Å; A222-E225 PolarHBondContact O-N 2.82Å; A222-L226 PolarHBondContact O-N 3.05Å; A222-L226 VanDerWaalsContact O-N 3.08Å |
| 223 | L | 48.8 | Very low | 50.7 | Low | 110 Ų | 110 | 118.8 Ų | 118.8 | 58% | 0.576 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.1 | -33 | 176.2 | -66.8 | 174 | 0 | 0 | 0 | 112.7 | D219 R221 H227 | D219-L223 VanDerWaalsContact O-CG 3.3Å; D219-L223 WeakPolarHBondContact O-CG 3.39Å; D219-L223 PolarHBondContact O-N 3.23Å; R221-L223 VanDerWaalsContact C-N 3.34Å; R221-L223 PolarHBondContact O-N 3.16Å; L223-H227 PolarHBondContact O-N 3.23Å |
| 224 | S | 56.2 | Low | 51.7 | Low | 65 Ų | 65 | 116.2 Ų | 116.2 | 46% | 0.455 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -70.1 | -33.4 | 175.4 | 70.3 | 0 | 0 | 0 | 0 | 112.8 | F220 R221 C228 | F220-S224 PolarHBondContact O-N 3.27Å; F220-S224 PolarHBondContact O-OG 3.3Å; R221-S224 WeakPolarHBondContact CA-OG 3.12Å; R221-S224 PolarHBondContact O-N 3.31Å; R221-S224 PolarHBondContact O-OG 3.32Å; S224-C228 PolarHBondContact O-N 3.3Å; S224-C228 PolarHBondContact O-SG 2.81Å |
| 225 | E | 51.3 | Low | 51.7 | Low | 125 Ų | 125 | 110.3 Ų | 110.3 | 58% | 0.584 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -74.2 | -38 | 176.4 | -72.3 | 172.1 | -171 | 0 | 0 | 112 | R221 A222 H227 C228 A229 | R221-E225 WeakPolarHBondContact O-CG 3.38Å; R221-E225 PolarHBondContact O-N 3.16Å; A222-E225 PolarHBondContact O-N 2.82Å; E225-H227 VanDerWaalsContact C-N 3.34Å; E225-H227 PolarHBondContact O-N 2.06Å; E225-C228 PolarHBondContact O-N 3.28Å; E225-C228 VanDerWaalsContact O-N 3.15Å; E225-A229 PolarHBondContact O-N 2.81Å |
| 226 | L | 48.9 | Very low | 51.6 | Low | 111 Ų | 111 | 109.7 Ų | 109.7 | 58% | 0.581 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -61.9 | -38.8 | 173.8 | -102.1 | 132.8 | 0 | 0 | 0 | 112.6 | A222 C228 A229 E230 | A222-L226 PolarHBondContact O-N 3.05Å; A222-L226 VanDerWaalsContact O-N 3.08Å; L226-C228 PolarHBondContact O-N 3.19Å; L226-A229 PolarHBondContact O-N 3.29Å; L226-E230 PolarHBondContact O-N 3.49Å |
| 227 | H | 43.2 | Very low | 51.4 | Low | 163 Ų | 163 | 108 Ų | 108 | 76% | 0.755 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73.2 | -13.7 | 176.9 | -111.6 | -76.2 | 0 | 0 | 0 | 114.2 | L223 E225 | L223-H227 PolarHBondContact O-N 3.23Å; E225-H227 VanDerWaalsContact C-N 3.34Å; E225-H227 PolarHBondContact O-N 2.06Å |
| 228 | C | 43.7 | Very low | 51.7 | Low | 89 Ų | 89 | 107.6 Ų | 107.6 | 60% | 0.601 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -86.4 | -24.3 | 172.2 | -64.3 | 0 | 0 | 0 | 0 | 112.4 | S224 E225 L226 T232 | S224-C228 PolarHBondContact O-N 3.3Å; S224-C228 PolarHBondContact O-SG 2.81Å; E225-C228 PolarHBondContact O-N 3.28Å; E225-C228 VanDerWaalsContact O-N 3.15Å; L226-C228 PolarHBondContact O-N 3.19Å; C228-T232 PolarHBondContact O-OG1 3.34Å |
| 229 | A | 50.2 | Low | 51.3 | Low | 82 Ų | 82 | 109.2 Ų | 109.2 | 68% | 0.678 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -85.7 | -34.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E225 L226 | E225-A229 PolarHBondContact O-N 2.81Å; L226-A229 PolarHBondContact O-N 3.29Å |
| 230 | E | 46.3 | Very low | 50.8 | Low | 176 Ų | 176 | 110.3 Ų | 110.3 | 82% | 0.822 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -96.1 | 4.6 | -173.4 | -153.7 | 85.8 | -167.6 | 0 | 0 | 113.9 | L226 | L226-E230 PolarHBondContact O-N 3.49Š|
| 231 | G | 49.4 | Very low | 50.3 | Low | 62 Ų | 62 | 110.3 Ų | 110.3 | 64% | 0.639 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -124.8 | 2.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 232 | T | 46.6 | Very low | 49.4 | Very low | 107 Ų | 107 | 106.5 Ų | 106.5 | 66% | 0.656 | 67% | 0.667 | S | S | * | * | | | trans | -102 | 113.6 | -172.8 | -51 | 0 | 0 | 0 | 0 | 109.7 | C228 | C228-T232 PolarHBondContact O-OG1 3.34Š|
| 233 | Q | 56.8 | Low | 48.8 | Very low | 169 Ų | 169 | 109 Ų | 109 | 79% | 0.79 | 69% | 0.688 | S | S | * | * | | | trans | -38.3 | 149.6 | 158.6 | -77.7 | -103.4 | -51.9 | 0 | 0 | 111 | | |
| 234 | P | 60.2 | Low | 48.7 | Very low | 111 Ų | 111 | 110.7 Ų | 110.7 | 72% | 0.721 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -54 | 131.2 | -175.1 | 23.1 | -33.4 | 0 | 0 | 0 | 110.6 | C236 | P234-C236 PolarHBondContact O-N 3.22Š|
| 235 | P | 53.9 | Low | 47.9 | Very low | 117 Ų | 117 | 111 Ų | 111 | 76% | 0.76 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 141.1 | 174 | 25.4 | -31.8 | 0 | 0 | 0 | 108.8 | G237 | P235-G237 PolarHBondContact O-N 3.08Š|
| 236 | C | 51.7 | Low | 47.3 | Very low | 74 Ų | 74 | 110.8 Ų | 110.8 | 50% | 0.5 | 73% | 0.729 | S | S | . | * | P | Polyproline II helix | trans | -58.7 | 127.5 | 173.1 | 62.7 | 0 | 0 | 0 | 0 | 109.1 | P234 C238 | P234-C236 PolarHBondContact O-N 3.22Å; C236-C238 PolarHBondContact O-N 2.69Å |
| 237 | G | 47.1 | Very low | 47.4 | Very low | 84 Ų | 84 | 114.4 Ų | 114.4 | 87% | 0.866 | 74% | 0.743 | S | S | * | * | | | trans | -72.6 | 42.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | P235 S239 | P235-G237 PolarHBondContact O-N 3.08Å; G237-S239 PolarHBondContact O-N 2.72Å |
| 238 | C | 52.9 | Low | 47.4 | Very low | 76 Ų | 76 | 114.5 Ų | 114.5 | 51% | 0.514 | 75% | 0.749 | S | S | . | * | | | trans | -86.3 | 96 | 175.4 | -59.5 | 0 | 0 | 0 | 0 | 108.6 | C236 C240 | C236-C238 PolarHBondContact O-N 2.69Å; C238-C240 PolarHBondContact O-N 2.75Å; C238-C240 VanDerWaalsContact O-N 3.12Å |
| 239 | S | 43.8 | Very low | 47.6 | Very low | 105 Ų | 105 | 113.7 Ų | 113.7 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | | | trans | -71.8 | 96.6 | 166.8 | 47.5 | 0 | 0 | 0 | 0 | 109.1 | G237 D241 | G237-S239 PolarHBondContact O-N 2.72Å; S239-D241 VanDerWaalsContact C-N 3.34Å; S239-D241 PolarHBondContact O-N 3.05Å |
| 240 | C | 46.6 | Very low | 47 | Very low | 124 Ų | 124 | 113.5 Ų | 113.5 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | | | trans | -85.6 | 83.1 | 161.7 | 50.3 | 0 | 0 | 0 | 0 | 108.4 | C238 A242 | C238-C240 PolarHBondContact O-N 2.75Å; C238-C240 VanDerWaalsContact O-N 3.12Å; C240-A242 PolarHBondContact O-N 3.01Å; C240-A242 VanDerWaalsContact O-N 3.08Å |
| 241 | D | 40.5 | Very low | 46.9 | Very low | 145 Ų | 145 | 114 Ų | 114 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | | | trans | -62.6 | 104.5 | 161.2 | -79 | -58 | 0 | 0 | 0 | 107.7 | S239 A243 | S239-D241 VanDerWaalsContact C-N 3.34Å; S239-D241 PolarHBondContact O-N 3.05Å; D241-A243 VanDerWaalsContact C-N 3.3Å; D241-A243 PolarHBondContact O-N 3.49Å |
| 242 | A | 43.3 | Very low | 46.7 | Very low | 97 Ų | 97 | 119.9 Ų | 119.9 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | | | trans | -71.9 | 93.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | C240 T244 | C240-A242 PolarHBondContact O-N 3.01Å; C240-A242 VanDerWaalsContact O-N 3.08Å; A242-T244 PolarHBondContact O-N 3.03Å |
| 243 | A | 42.8 | Very low | 46.5 | Very low | 97 Ų | 97 | 124 Ų | 124 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | | | trans | -56.9 | 125.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | D241 | D241-A243 VanDerWaalsContact C-N 3.3Å; D241-A243 PolarHBondContact O-N 3.49Å |
| 244 | T | 46.7 | Very low | 46.1 | Very low | 146 Ų | 146 | 120.5 Ų | 120.5 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | | | trans | -70.7 | 122.7 | 174.6 | -38.6 | 0 | 0 | 0 | 0 | 110.8 | A242 | A242-T244 PolarHBondContact O-N 3.03Š|
| 245 | G | 40.2 | Very low | 45.3 | Very low | 71 Ų | 71 | 119 Ų | 119 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | | | trans | 87.4 | 113.8 | 146.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 246 | S | 39.5 | Very low | 45.5 | Very low | 121 Ų | 121 | 119.3 Ų | 119.3 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | | | | 173.8 | 138.5 | 115.9 | -172.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 247 | Q | 50.8 | Low | 45.5 | Very low | 187 Ų | 187 | 118.7 Ų | 118.7 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | | | trans | -52.7 | 134.6 | 162.4 | -80.8 | 171.7 | -15.8 | 0 | 0 | 110.4 | | |
| 248 | D | 41.8 | Very low | 46.1 | Very low | 164 Ų | 164 | 117.9 Ų | 117.9 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | | | | -174.9 | 157.4 | 100.9 | -163 | 28.5 | 0 | 0 | 0 | 110 | | |
| 249 | G | 47.8 | Very low | 46 | Very low | 72 Ų | 72 | 118.1 Ų | 118.1 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | | | trans | -65.7 | 149.9 | -169 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 250 | G | 37.7 | Very low | 46.9 | Very low | 78 Ų | 78 | 116.6 Ų | 116.6 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | 162.9 | 126.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 251 | E | 44.3 | Very low | 47.2 | Very low | 187 Ų | 187 | 120.7 Ų | 120.7 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | trans | -76.3 | 156.2 | -170.7 | -52 | 168.4 | 140.1 | 0 | 0 | 111.8 | | |
| 252 | H | 45.5 | Very low | 48 | Very low | 186 Ų | 186 | 122.5 Ų | 122.5 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | | | trans | 73.4 | 103.9 | 173.2 | -78.8 | -117.2 | 0 | 0 | 0 | 118.7 | | |
| 253 | E | 41.8 | Very low | 48.4 | Very low | 193 Ų | 193 | 126.6 Ų | 126.6 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | | | | -166.8 | 139 | 112.2 | -120.9 | -175.7 | 120.3 | 0 | 0 | 110.9 | G255 | E253-G255 PolarHBondContact O-N 3.48Š|
| 254 | A | 48.8 | Very low | 48.9 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | | | trans | -62.9 | 117.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | S256 | A254-S256 PolarHBondContact O-N 3.14Š|
| 255 | G | 42.9 | Very low | 49.3 | Very low | 79 Ų | 79 | 123.4 Ų | 123.4 | 81% | 0.814 | 77% | 0.772 | S | S | * | * | | | trans | -55.7 | 109.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | E253 G257 | E253-G255 PolarHBondContact O-N 3.48Å; G255-G257 PolarHBondContact O-N 3.03Å |
| 256 | S | 58.2 | Low | 49.8 | Very low | 124 Ų | 124 | 122.2 Ų | 122.2 | 87% | 0.867 | 76% | 0.76 | S | S | * | * | | | trans | -68.2 | 78.4 | 170.6 | 171.5 | 0 | 0 | 0 | 0 | 108.8 | A254 | A254-S256 PolarHBondContact O-N 3.14Š|
| 257 | G | 52.8 | Low | 50.5 | Low | 60 Ų | 60 | 126.6 Ų | 126.6 | 62% | 0.619 | 76% | 0.758 | S | S | * | * | | | trans | -61.1 | 143.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | G255 G259 | G255-G257 PolarHBondContact O-N 3.03Å; G257-G259 PolarHBondContact O-N 3.36Å |
| 258 | C | 58.9 | Low | 50.8 | Low | 68 Ų | 68 | 125.5 Ų | 125.5 | 46% | 0.459 | 76% | 0.759 | S | S | . | * | | | trans | -47 | 114.7 | 175.2 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | C260 | C258-C260 WeakPolarHBondContact CB-SG 3.32Å; C258-C260 PolarHBondContact O-N 2.74Å; C258-C260 PolarHBondContact O-SG 2.94Å; C258-C260 WeakPolarHBondContact SG-CB 3.01Å; C258-C260 CovalentContact SG-SG 2.06Å; C258-C260 PolarHBondContact SG-SG 3.11Å |
| 259 | G | 51.5 | Low | 51.1 | Low | 80 Ų | 80 | 122.8 Ų | 122.8 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | | | trans | -74.7 | 32.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G257 R261 | G257-G259 PolarHBondContact O-N 3.36Å; G259-R261 PolarHBondContact O-N 3.25Å |
| 260 | C | 62.3 | Low | 51.3 | Low | 74 Ų | 74 | 123.2 Ų | 123.2 | 50% | 0.5 | 74% | 0.741 | S | S | . | * | | | trans | -74.6 | 68.3 | -179.6 | 33.2 | 0 | 0 | 0 | 0 | 110.7 | C258 Q262 | C258-C260 WeakPolarHBondContact CB-SG 3.32Å; C258-C260 PolarHBondContact O-N 2.74Å; C258-C260 PolarHBondContact O-SG 2.94Å; C258-C260 WeakPolarHBondContact SG-CB 3.01Å; C258-C260 CovalentContact SG-SG 2.06Å; C258-C260 PolarHBondContact SG-SG 3.11Å; C260-Q262 PolarHBondContact O-N 2.93Å |
| 261 | R | 53.7 | Low | 52.6 | Low | 209 Ų | 209 | 128.7 Ų | 128.7 | 79% | 0.789 | 75% | 0.745 | S | S | * | * | | | trans | -72.1 | 108.4 | 169.7 | -170.5 | 174.8 | -179 | -102.7 | 1.7 | 108.1 | G259 Q263 | G259-R261 PolarHBondContact O-N 3.25Å; R261-Q263 PolarHBondContact O-N 3.21Å |
| 262 | Q | 56 | Low | 53.7 | Low | 184 Ų | 184 | 125.5 Ų | 125.5 | 86% | 0.86 | 74% | 0.738 | S | S | * | * | | | trans | -53 | 103.4 | 175.3 | -62.7 | -153 | 64.5 | 0 | 0 | 110.6 | C260 G264 | C260-Q262 PolarHBondContact O-N 2.93Å; Q262-G264 VanDerWaalsContact C-N 3.25Å; Q262-G264 PolarHBondContact O-N 3.45Å |
| 263 | Q | 51.6 | Low | 54.4 | Low | 182 Ų | 182 | 125.9 Ų | 125.9 | 85% | 0.85 | 73% | 0.734 | S | S | * | * | | | trans | -89.5 | 67.7 | 166.4 | -66.9 | -146.9 | 60.2 | 0 | 0 | 108.9 | R261 | R261-Q263 PolarHBondContact O-N 3.21Š|
| 264 | G | 54.9 | Low | 55.4 | Low | 50 Ų | 50 | 120.9 Ų | 120.9 | 52% | 0.515 | 72% | 0.72 | S | S | . | * | S | Bend | trans | -103 | 150.6 | 154.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q262 G266 | Q262-G264 VanDerWaalsContact C-N 3.25Å; Q262-G264 PolarHBondContact O-N 3.45Å; G264-G266 PolarHBondContact O-N 2.95Å |
| 265 | P | 53.8 | Low | 55.6 | Low | 126 Ų | 126 | 122.5 Ų | 122.5 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | | | trans | -63.1 | 91.5 | 168 | 19.3 | -18.6 | 0 | 0 | 0 | 108 | W267 | P265-W267 PolarHBondContact O-N 2.79Š|
| 266 | G | 51.2 | Low | 56.6 | Low | 46 Ų | 46 | 123.8 Ų | 123.8 | 47% | 0.474 | 70% | 0.702 | S | S | . | * | | | trans | -65.8 | 126.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | G264 N268 | G264-G266 PolarHBondContact O-N 2.95Å; G266-N268 PolarHBondContact O-N 3.44Å |
| 267 | W | 54.2 | Low | 56.5 | Low | 213 Ų | 213 | 120.8 Ų | 120.8 | 81% | 0.807 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -68.7 | 25.3 | 172.6 | -67 | 63.7 | 0 | 0 | 0 | 112.2 | P265 S269 V270 | P265-W267 PolarHBondContact O-N 2.79Å; W267-S269 PolarHBondContact O-N 2.94Å; W267-V270 HydrophobicContact CE3-CG2 3.85Å; W267-V270 HydrophobicContact CZ3-CG2 4.5Å; W267-V270 PolarHBondContact O-N 3.12Å |
| 268 | N | 57.1 | Low | 56.6 | Low | 165 Ų | 165 | 123.7 Ų | 123.7 | 88% | 0.882 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -1.5 | -179.2 | -62.9 | -15.7 | 0 | 0 | 0 | 112.7 | G266 | G266-N268 PolarHBondContact O-N 3.44Š|
| 269 | S | 48.1 | Very low | 56.6 | Low | 107 Ų | 107 | 130.2 Ų | 130.2 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | 2.5 | 175.2 | 63.1 | 0 | 0 | 0 | 0 | 113.6 | W267 E271 | W267-S269 PolarHBondContact O-N 2.94Å; S269-E271 PolarHBondContact O-N 2.94Å |
| 270 | V | 53.1 | Low | 56.7 | Low | 81 Ų | 81 | 131.5 Ų | 131.5 | 49% | 0.491 | 70% | 0.702 | S | S | . | * | | | trans | -87 | 97 | 172.2 | -179.1 | 0 | 0 | 0 | 0 | 107.7 | W267 V272 | W267-V270 HydrophobicContact CE3-CG2 3.85Å; W267-V270 HydrophobicContact CZ3-CG2 4.5Å; W267-V270 PolarHBondContact O-N 3.12Å; V270-V272 VanDerWaalsContact C-N 3.34Å; V270-V272 HydrophobicContact CG1-CG2 4.33Å; V270-V272 PolarHBondContact O-N 3.31Å |
| 271 | E | 64.4 | Low | 56.2 | Low | 192 Ų | 192 | 134.1 Ų | 134.1 | 90% | 0.897 | 72% | 0.715 | S | S | * | * | | | trans | -64 | 98.5 | 164.8 | -75.5 | -175.3 | 169.8 | 0 | 0 | 108.3 | S269 Y273 | S269-E271 PolarHBondContact O-N 2.94Å; E271-Y273 PolarHBondContact O-N 3.08Å; E271-Y273 VanDerWaalsContact O-N 3.08Å |
| 272 | V | 66.7 | Low | 55.9 | Low | 121 Ų | 121 | 133.6 Ų | 133.6 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | | | trans | -68.3 | 105.5 | 169.8 | -179.8 | 0 | 0 | 0 | 0 | 107 | V270 S274 | V270-V272 VanDerWaalsContact C-N 3.34Å; V270-V272 HydrophobicContact CG1-CG2 4.33Å; V270-V272 PolarHBondContact O-N 3.31Å; V272-S274 PolarHBondContact O-N 3.22Å |
| 273 | Y | 59.8 | Low | 55.5 | Low | 194 Ų | 194 | 133.6 Ų | 133.6 | 76% | 0.761 | 72% | 0.722 | S | S | * | * | | | trans | -59.4 | 100.3 | 173.6 | -177.9 | -102 | 0 | 0 | 0 | 109.3 | E271 F275 | E271-Y273 PolarHBondContact O-N 3.08Å; E271-Y273 VanDerWaalsContact O-N 3.08Å; Y273-F275 HydrophobicContact CD1-CB 4.31Å; Y273-F275 HydrophobicContact CE1-CB 4.04Å; Y273-F275 AromaticContact CE1-CD2 3.87Å; Y273-F275 HydrophobicContact CE1-CD2 3.87Å; Y273-F275 HydrophobicContact CE1-CG 4.44Å; Y273-F275 PolarHBondContact O-N 2.88Å |
| 274 | S | 64.5 | Low | 55.1 | Low | 88 Ų | 88 | 131.4 Ų | 131.4 | 62% | 0.615 | 72% | 0.721 | S | S | * | * | | | trans | -81.3 | 100 | 176.7 | 58.9 | 0 | 0 | 0 | 0 | 109.1 | V272 T276 | V272-S274 PolarHBondContact O-N 3.22Å; S274-T276 VanDerWaalsContact C-N 3.3Å; S274-T276 PolarHBondContact O-N 3.11Å |
| 275 | F | 52.9 | Low | 54.8 | Low | 129 Ų | 129 | 138.3 Ų | 138.3 | 57% | 0.566 | 74% | 0.74 | S | S | * | * | | | trans | -76 | 82.9 | 174.5 | -173.2 | -106.8 | 0 | 0 | 0 | 110.2 | Y273 L278 | Y273-F275 HydrophobicContact CD1-CB 4.31Å; Y273-F275 HydrophobicContact CE1-CB 4.04Å; Y273-F275 AromaticContact CE1-CD2 3.87Å; Y273-F275 HydrophobicContact CE1-CD2 3.87Å; Y273-F275 HydrophobicContact CE1-CG 4.44Å; Y273-F275 PolarHBondContact O-N 2.88Å; F275-L278 HydrophobicContact CE1-CB 4.4Å; F275-L278 HydrophobicContact CE1-CD1 3.35Å; F275-L278 HydrophobicContact CE1-CG 3.46Å; F275-L278 VanDerWaalsContact CE1-CG 3.46Å; F275-L278 HydrophobicContact CZ-CD1 3.6Å; F275-L278 HydrophobicContact CZ-CD2 4.01Å; F275-L278 HydrophobicContact CZ-CG 3.41Å; F275-L278 VanDerWaalsContact CZ-CG 3.41Å |
| 276 | T | 62.8 | Low | 54.3 | Low | 107 Ų | 107 | 135.9 Ų | 135.9 | 66% | 0.656 | 74% | 0.737 | S | S | * | * | | | trans | -101.2 | 13.1 | 173.3 | 50.4 | 0 | 0 | 0 | 0 | 113.1 | S274 | S274-T276 VanDerWaalsContact C-N 3.3Å; S274-T276 PolarHBondContact O-N 3.11Å |
| 277 | G | 56.4 | Low | 54 | Low | 61 Ų | 61 | 145 Ų | 145 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | | | trans | -98.7 | 23 | -166.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 278 | L | 55 | Low | 53.3 | Low | 120 Ų | 120 | 141.4 Ų | 141.4 | 63% | 0.628 | 76% | 0.759 | S | S | * | * | | | trans | -108.9 | 71.5 | 175.4 | -75 | -179.3 | 0 | 0 | 0 | 113.1 | F275 | F275-L278 HydrophobicContact CE1-CB 4.4Å; F275-L278 HydrophobicContact CE1-CD1 3.35Å; F275-L278 HydrophobicContact CE1-CG 3.46Å; F275-L278 VanDerWaalsContact CE1-CG 3.46Å; F275-L278 HydrophobicContact CZ-CD1 3.6Å; F275-L278 HydrophobicContact CZ-CD2 4.01Å; F275-L278 HydrophobicContact CZ-CG 3.41Å; F275-L278 VanDerWaalsContact CZ-CG 3.41Å |
| 279 | R | 58.7 | Low | 52.8 | Low | 206 Ų | 206 | 141.5 Ų | 141.5 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -155.3 | 38.1 | 164.5 | 25.7 | -161.4 | 155.6 | -89.3 | 4.8 | 114.2 | | |
| 280 | S | 53.2 | Low | 52.2 | Low | 107 Ų | 107 | 142.5 Ų | 142.5 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -142.7 | 22.8 | 176.6 | -48.4 | 0 | 0 | 0 | 0 | 115.5 | | |
| 281 | V | 53 | Low | 51.2 | Low | 128 Ų | 128 | 144.5 Ų | 144.5 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -111.1 | -7.4 | 176.5 | -170 | 0 | 0 | 0 | 0 | 113.5 | | |
| 282 | Q | 47.1 | Very low | 50.1 | Low | 199 Ų | 199 | 141 Ų | 141 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -92 | 6.2 | 177.9 | -70.3 | -176 | -64.2 | 0 | 0 | 114.8 | | |
| 283 | Q | 46.8 | Very low | 48.5 | Very low | 183 Ų | 183 | 141.1 Ų | 141.1 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -116.7 | 34.5 | -176.1 | -154.4 | -178.6 | -47.4 | 0 | 0 | 113.5 | | |
| 284 | V | 43.7 | Very low | 47.5 | Very low | 136 Ų | 136 | 136.4 Ų | 136.4 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -124.5 | -1.2 | 169.8 | 172.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 285 | E | 49.2 | Very low | 46.5 | Very low | 196 Ų | 196 | 137.7 Ų | 137.7 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -110.3 | 14.5 | 179.7 | -72.7 | -176.2 | 137.9 | 0 | 0 | 114.6 | | |
| 286 | G | 43 | Very low | 45.4 | Very low | 74 Ų | 74 | 137.2 Ų | 137.2 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -124.9 | 14.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 287 | R | 44.7 | Very low | 43.9 | Very low | 238 Ų | 238 | 136.8 Ų | 136.8 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | | | trans | -140.1 | 51.9 | -172.6 | -137.3 | 179.4 | -167.6 | -169.8 | 3.5 | 114.6 | | |
| 288 | T | 40.1 | Very low | 42.8 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 85% | 0.847 | 82% | 0.822 | S | S | * | * | | | trans | -139 | 52.5 | 160 | 57.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 289 | L | 44.7 | Very low | 42 | Very low | 167 Ų | 167 | 138.3 Ų | 138.3 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -137.2 | 121.3 | 158.4 | -67.7 | 175.5 | 0 | 0 | 0 | 108.1 | | |
| 290 | S | 36 | Very low | 41.3 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 90% | 0.895 | 83% | 0.828 | S | S | * | * | | | trans | 86.9 | 83.8 | 176.6 | -56.2 | 0 | 0 | 0 | 0 | 118.3 | | |
| 291 | S | 31.9 | Very low | 40.3 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | | | | -154.7 | 117 | 123.4 | 63.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 292 | S | 41.9 | Very low | 39.7 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 84% | 0.839 | 83% | 0.833 | S | S | * | * | | | trans | -65.7 | 128.1 | 175.7 | 51 | 0 | 0 | 0 | 0 | 112.9 | | |
| 293 | S | 33 | Very low | 39.1 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | | | trans | -175.8 | 117.7 | 131.9 | 40.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 294 | A | 38.6 | Very low | 38.5 | Very low | 95 Ų | 95 | 126 Ų | 126 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | | | trans | -84.7 | 168.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 295 | P | 44.1 | Very low | 38 | Very low | 115 Ų | 115 | 123.1 Ų | 123.1 | 75% | 0.747 | 83% | 0.826 | S | S | * | * | | | cis | -146.4 | 159.2 | 50 | 37.3 | -15.2 | 0 | 0 | 0 | 118.7 | | |
| 296 | S | 29 | Very low | 37.4 | Very low | 118 Ų | 118 | 119 Ų | 119 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | | | trans | 68.1 | 115.9 | 142.1 | -62.3 | 0 | 0 | 0 | 0 | 121.8 | | |
| 297 | A | 31.4 | Very low | 37.6 | Very low | 98 Ų | 98 | 120.4 Ų | 120.4 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | | | | -174 | 118.1 | 112.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 298 | A | 33.3 | Very low | 37.2 | Very low | 98 Ų | 98 | 114.2 Ų | 114.2 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | | | trans | 55.6 | 108.5 | 144.8 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 299 | S | 38.5 | Very low | 37.3 | Very low | 116 Ų | 116 | 112.2 Ų | 112.2 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | | | trans | -70.4 | 158.5 | 144 | -53.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 300 | P | 45.2 | Very low | 37 | Very low | 110 Ų | 110 | 109.1 Ų | 109.1 | 71% | 0.714 | 81% | 0.811 | S | S | * | * | | | | -140.9 | 145.7 | 109.7 | 15.3 | 7.3 | 0 | 0 | 0 | 116.3 | | |
| 301 | L | 31.9 | Very low | 37.3 | Very low | 152 Ų | 152 | 107 Ų | 107 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | | | trans | 69.4 | 109 | 141.4 | -77.3 | 87 | 0 | 0 | 0 | 120.8 | | |
| 302 | A | 39.4 | Very low | 38.2 | Very low | 101 Ų | 101 | 107.5 Ų | 107.5 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | | | trans | -52.2 | 137.4 | 145.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 303 | S | 35.4 | Very low | 38.2 | Very low | 115 Ų | 115 | 108.8 Ų | 108.8 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -134.3 | 123.3 | 159.6 | -74.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 304 | G | 34.4 | Very low | 39.2 | Very low | 86 Ų | 86 | 108 Ų | 108 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | | | trans | -71.1 | 163.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 305 | G | 32.7 | Very low | 39.6 | Very low | 75 Ų | 75 | 109 Ų | 109 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | trans | 167.7 | 104 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 306 | S | 37.2 | Very low | 39.9 | Very low | 110 Ų | 110 | 106.4 Ų | 106.4 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | 75.1 | 114.4 | 140.1 | -150.5 | 0 | 0 | 0 | 0 | 119.7 | | |
| 307 | A | 46.1 | Very low | 41.3 | Very low | 103 Ų | 103 | 105.4 Ų | 105.4 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | | | trans | -71.6 | 124.5 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 308 | C | 36.3 | Very low | 42.9 | Very low | 108 Ų | 108 | 106.3 Ų | 106.3 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | | | trans | -159.7 | 117.4 | 158.9 | 49.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 309 | A | 43.3 | Very low | 44.5 | Very low | 96 Ų | 96 | 108.2 Ų | 108.2 | 79% | 0.793 | 77% | 0.766 | S | S | * | * | | | trans | 28.1 | 97.9 | 151.1 | 0 | 0 | 0 | 0 | 0 | 118 | S311 | A309-S311 PolarHBondContact O-N 3.13Å; A309-S311 VanDerWaalsContact O-N 3.11Å |
| 310 | A | 37.2 | Very low | 46.3 | Very low | 102 Ų | 102 | 105.9 Ų | 105.9 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | | | trans | -76.4 | 93.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 311 | S | 43.1 | Very low | 47.6 | Very low | 85 Ų | 85 | 105.6 Ų | 105.6 | 59% | 0.594 | 75% | 0.75 | S | S | * | * | | | trans | -57 | 152.6 | 145.8 | -61.1 | 0 | 0 | 0 | 0 | 108.8 | A309 L313 | A309-S311 PolarHBondContact O-N 3.13Å; A309-S311 VanDerWaalsContact O-N 3.11Å; S311-L313 PolarHBondContact O-N 2.82Å |
| 312 | P | 50.8 | Low | 49.6 | Very low | 131 Ų | 131 | 101.9 Ų | 101.9 | 85% | 0.851 | 74% | 0.736 | S | S | * | * | | | trans | -70.8 | 85.7 | 175.1 | 30.5 | -31.4 | 0 | 0 | 0 | 107.7 | A314 | P312-A314 PolarHBondContact O-N 3.18Å; P312-A314 VanDerWaalsContact O-N 3.14Å |
| 313 | L | 41 | Very low | 51.2 | Low | 148 Ų | 148 | 101.3 Ų | 101.3 | 78% | 0.775 | 72% | 0.716 | S | S | * | * | | | trans | -59.5 | 118.8 | 163 | -75.8 | 110.6 | 0 | 0 | 0 | 105.7 | S311 S315 | S311-L313 PolarHBondContact O-N 2.82Å; L313-S315 PolarHBondContact O-N 3.48Å |
| 314 | A | 53.8 | Low | 53.2 | Low | 107 Ų | 107 | 100.9 Ų | 100.9 | 88% | 0.884 | 70% | 0.702 | S | S | * | * | | | trans | -60 | 73.5 | 161 | 0 | 0 | 0 | 0 | 0 | 108.5 | P312 G316 | P312-A314 PolarHBondContact O-N 3.18Å; P312-A314 VanDerWaalsContact O-N 3.14Å; A314-G316 PolarHBondContact O-N 3.35Å; A314-G316 VanDerWaalsContact O-N 3.08Å |
| 315 | S | 48.5 | Very low | 54.9 | Low | 116 Ų | 116 | 99.6 Ų | 99.6 | 81% | 0.811 | 68% | 0.683 | S | S | * | * | | | trans | -81.9 | 58.9 | 159.3 | -175 | 0 | 0 | 0 | 0 | 106.8 | L313 S317 | L313-S315 PolarHBondContact O-N 3.48Å; S315-S317 PolarHBondContact O-N 3.15Å; S315-S317 VanDerWaalsContact O-N 3.11Å |
| 316 | G | 49.3 | Very low | 56.7 | Low | 60 Ų | 60 | 105.1 Ų | 105.1 | 62% | 0.619 | 68% | 0.68 | S | S | * | * | | | trans | -74.3 | 98.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | A314 | A314-G316 PolarHBondContact O-N 3.35Å; A314-G316 VanDerWaalsContact O-N 3.08Å |
| 317 | S | 59.1 | Low | 58.1 | Low | 97 Ų | 97 | 101.7 Ų | 101.7 | 68% | 0.678 | 66% | 0.659 | S | S | * | * | | | trans | -43 | 132.6 | 142.6 | -178.8 | 0 | 0 | 0 | 0 | 106.8 | S315 R319 | S315-S317 PolarHBondContact O-N 3.15Å; S315-S317 VanDerWaalsContact O-N 3.11Å; S317-R319 VanDerWaalsContact C-N 3.32Å; S317-R319 PolarHBondContact O-N 3.45Å |
| 318 | P | 63.5 | Low | 59 | Low | 117 Ų | 117 | 104.7 Ų | 104.7 | 76% | 0.76 | 65% | 0.649 | S | S | * | * | | | trans | -57 | 103.1 | -178.2 | 23.1 | -31.8 | 0 | 0 | 0 | 107.2 | S320 | P318-S320 PolarHBondContact O-N 3.24Å; P318-S320 VanDerWaalsContact O-N 3.13Å |
| 319 | R | 67.4 | Low | 60.3 | Low | 137 Ų | 137 | 104.1 Ų | 104.1 | 52% | 0.517 | 64% | 0.642 | S | S | . | * | | | trans | -47.4 | 125.8 | 179.8 | -77.4 | -168.5 | 158.1 | 177.3 | 4 | 106.8 | S317 E323 Q324 | S317-R319 VanDerWaalsContact C-N 3.32Å; S317-R319 PolarHBondContact O-N 3.45Å; R319-E323 HydrophobicContact CB-CB 4.15Å; R319-E323 HydrophobicContact CB-CG 4.29Å; R319-E323 WeakPolarHBondContact CD-OE1 3.44Å; R319-E323 HydrophobicContact CG-CG 4.24Å; R319-E323 IonicContact CZ-OE1 3.58Å; R319-E323 IonicContact NE-OE1 2.94Å; R319-E323 PolarHBondContact NE-OE1 3.26Å; R319-E323 IonicContact NH2-OE1 3.88Å; R319-Q324 HydrophobicContact CB-CG 3.8Å |
| 320 | S | 76.8 | Confident | 61.6 | Low | 67 Ų | 67 | 106.3 Ų | 106.3 | 47% | 0.469 | 64% | 0.64 | S | S | . | * | | | trans | -50.9 | 147.9 | 177.3 | 171.1 | 0 | 0 | 0 | 0 | 109 | P318 S322 E323 Q324 | P318-S320 PolarHBondContact O-N 3.24Å; P318-S320 VanDerWaalsContact O-N 3.13Å; S320-S322 PolarHBondContact O-N 3.08Å; S320-S322 PolarHBondContact OG-N 3.18Å; S320-S322 PolarHBondContact OG-OG 3.22Å; S320-E323 WeakPolarHBondContact O-CA 3.3Å; S320-E323 WeakPolarHBondContact O-CB 3.21Å; S320-E323 PolarHBondContact O-N 3.32Å; S320-Q324 PolarHBondContact O-N 3.33Å |
| 321 | C | 73.3 | Confident | 63.7 | Low | 104 Ų | 104 | 106.8 Ų | 106.8 | 70% | 0.703 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -47.8 | -36.1 | 175.7 | -178.7 | 0 | 0 | 0 | 0 | 111.7 | E323 A325 | C321-E323 PolarHBondContact O-N 2.94Å; C321-A325 WeakPolarHBondContact O-CB 3.36Å; C321-A325 PolarHBondContact O-N 3.44Å |
| 322 | S | 73.4 | Confident | 65.7 | Low | 74 Ų | 74 | 107.8 Ų | 107.8 | 52% | 0.517 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66 | -30.4 | 174.4 | 54.1 | 0 | 0 | 0 | 0 | 115 | S320 R326 | S320-S322 PolarHBondContact O-N 3.08Å; S320-S322 PolarHBondContact OG-N 3.18Å; S320-S322 PolarHBondContact OG-OG 3.22Å; S322-R326 WeakPolarHBondContact O-CG 3.1Å |
| 323 | E | 73.3 | Confident | 67.6 | Low | 89 Ų | 89 | 104.4 Ų | 104.4 | 42% | 0.416 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -83.5 | -35.7 | 178.8 | -168.5 | -175.5 | 164.6 | 0 | 0 | 111.4 | R319 S320 C321 R326 A327 | R319-E323 HydrophobicContact CB-CB 4.15Å; R319-E323 HydrophobicContact CB-CG 4.29Å; R319-E323 WeakPolarHBondContact CD-OE1 3.44Å; R319-E323 HydrophobicContact CG-CG 4.24Å; R319-E323 IonicContact CZ-OE1 3.58Å; R319-E323 IonicContact NE-OE1 2.94Å; R319-E323 PolarHBondContact NE-OE1 3.26Å; R319-E323 IonicContact NH2-OE1 3.88Å; S320-E323 WeakPolarHBondContact O-CA 3.3Å; S320-E323 WeakPolarHBondContact O-CB 3.21Å; S320-E323 PolarHBondContact O-N 3.32Å; C321-E323 PolarHBondContact O-N 2.94Å; E323-R326 PolarHBondContact O-N 2.84Å; E323-A327 PolarHBondContact O-N 3.2Å; E323-A327 VanDerWaalsContact O-N 3.16Å |
| 324 | Q | 76.8 | Confident | 69.7 | Low | 106 Ų | 106 | 103 Ų | 103 | 50% | 0.495 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.2 | -40.2 | 171.2 | -67 | -177.1 | -24.3 | 0 | 0 | 111.6 | R319 S320 R326 A327 Y328 | R319-Q324 HydrophobicContact CB-CG 3.8Å; S320-Q324 PolarHBondContact O-N 3.33Å; Q324-R326 VanDerWaalsContact C-N 3.25Å; Q324-R326 PolarHBondContact O-N 3.38Å; Q324-A327 PolarHBondContact O-N 2.8Å; Q324-Y328 WeakPolarHBondContact O-CD2 3.19Å |
| 325 | A | 70.4 | Confident | 71.5 | Confident | 59 Ų | 59 | 103.8 Ų | 103.8 | 49% | 0.488 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60.2 | -34.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | C321 V329 | C321-A325 WeakPolarHBondContact O-CB 3.36Å; C321-A325 PolarHBondContact O-N 3.44Å; A325-V329 WeakPolarHBondContact O-CG2 3.14Å |
| 326 | R | 70.1 | Confident | 73.5 | Confident | 191 Ų | 191 | 102.1 Ų | 102.1 | 72% | 0.721 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -78.2 | -31 | 178 | -68.6 | 177.9 | 180 | -160.5 | -1.1 | 113 | S322 E323 Q324 Y328 V329 | S322-R326 WeakPolarHBondContact O-CG 3.1Å; E323-R326 PolarHBondContact O-N 2.84Å; Q324-R326 VanDerWaalsContact C-N 3.25Å; Q324-R326 PolarHBondContact O-N 3.38Å; R326-Y328 VanDerWaalsContact C-N 3.29Å; R326-Y328 PolarHBondContact O-N 3.08Å; R326-V329 PolarHBondContact O-N 2.97Å |
| 327 | A | 67.4 | Low | 75.5 | Confident | 39 Ų | 39 | 103.5 Ų | 103.5 | 32% | 0.322 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.6 | -29 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | E323 Q324 | E323-A327 PolarHBondContact O-N 3.2Å; E323-A327 VanDerWaalsContact O-N 3.16Å; Q324-A327 PolarHBondContact O-N 2.8Å |
| 328 | Y | 64.5 | Low | 76.9 | Confident | 166 Ų | 166 | 101.9 Ų | 101.9 | 65% | 0.651 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -7.2 | 177.9 | -73.5 | -77.1 | 0 | 0 | 0 | 114.1 | Q324 R326 | Q324-Y328 WeakPolarHBondContact O-CD2 3.19Å; R326-Y328 VanDerWaalsContact C-N 3.29Å; R326-Y328 PolarHBondContact O-N 3.08Å |
| 329 | V | 64.3 | Low | 78.2 | Confident | 96 Ų | 96 | 98 Ų | 98 | 58% | 0.582 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -29.7 | 177.5 | 167.5 | 0 | 0 | 0 | 0 | 110.8 | A325 R326 D331 | A325-V329 WeakPolarHBondContact O-CG2 3.14Å; R326-V329 PolarHBondContact O-N 2.97Å; V329-D331 VanDerWaalsContact C-N 3.31Å |
| 330 | D | 70.8 | Confident | 79.2 | Confident | 141 Ų | 141 | 98 Ų | 98 | 75% | 0.754 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -13.8 | 178.1 | -64 | -30.3 | 0 | 0 | 0 | 113.3 | I332 | D330-I332 VanDerWaalsContact C-N 3.35Š|
| 331 | D | 79.3 | Confident | 79.7 | Confident | 113 Ų | 113 | 99.2 Ų | 99.2 | 60% | 0.604 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -12.6 | 176.4 | -70 | -27.9 | 0 | 0 | 0 | 112.7 | V329 | V329-D331 VanDerWaalsContact C-N 3.31Š|
| 332 | I | 85.8 | Confident | 80.2 | Confident | 105 Ų | 105 | 102 Ų | 102 | 54% | 0.538 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -98.4 | 102.6 | 176.4 | -57 | 177 | 0 | 0 | 0 | 107.7 | D330 D336 L337 | D330-I332 VanDerWaalsContact C-N 3.35Å; I332-D336 HydrophobicContact CG2-CB 4.33Å; I332-L337 HydrophobicContact CG2-CB 4.34Å |
| 333 | T | 90.1 | Very high | 80.6 | Confident | 60 Ų | 60 | 107.2 Ų | 107.2 | 37% | 0.368 | 54% | 0.538 | S | S | . | . | | | trans | -69.3 | 157 | 176.5 | 67.4 | 0 | 0 | 0 | 0 | 110.8 | E335 D336 L337 | T333-E335 WeakPolarHBondContact CB-OE2 3.42Å; T333-E335 PolarHBondContact O-N 2.69Å; T333-D336 PolarHBondContact N-OD2 3.19Å; T333-D336 PolarHBondContact O-N 3.18Å; T333-D336 VanDerWaalsContact O-N 3.11Å; T333-D336 PolarHBondContact OG1-N 2.94Å; T333-D336 VanDerWaalsContact OG1-N 3.11Å; T333-D336 PolarHBondContact OG1-OD2 3.44Å; T333-L337 PolarHBondContact O-N 3Å |
| 334 | I | 86.8 | Confident | 81 | Confident | 118 Ų | 118 | 110.5 Ų | 110.5 | 61% | 0.605 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.2 | -29.8 | 173.8 | -170.5 | 76 | 0 | 0 | 0 | 110.5 | S338 | I334-S338 WeakPolarHBondContact O-CB 3.43Å; I334-S338 PolarHBondContact O-N 3.38Å; I334-S338 PolarHBondContact O-OG 3.05Å |
| 335 | E | 90.6 | Very high | 81.4 | Confident | 124 Ų | 124 | 110.1 Ų | 110.1 | 58% | 0.579 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.5 | -42.3 | 173.6 | -67.8 | 72.1 | -159.3 | 0 | 0 | 112.3 | T333 S338 G339 | T333-E335 WeakPolarHBondContact CB-OE2 3.42Å; T333-E335 PolarHBondContact O-N 2.69Å; E335-S338 VanDerWaalsContact CA-OG 3.3Å; E335-S338 WeakPolarHBondContact CA-OG 3.43Å; E335-S338 PolarHBondContact O-OG 3.48Å; E335-S338 VanDerWaalsContact O-OG 3.06Å; E335-G339 PolarHBondContact O-N 3.33Å |
| 336 | D | 91.6 | Very high | 81.9 | Confident | 81 Ų | 81 | 116.8 Ų | 116.8 | 43% | 0.433 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.9 | -45.8 | 175.9 | -64.3 | -48.6 | 0 | 0 | 0 | 110.5 | I332 T333 G339 Y340 | I332-D336 HydrophobicContact CG2-CB 4.33Å; T333-D336 PolarHBondContact N-OD2 3.19Å; T333-D336 PolarHBondContact O-N 3.18Å; T333-D336 VanDerWaalsContact O-N 3.11Å; T333-D336 PolarHBondContact OG1-N 2.94Å; T333-D336 VanDerWaalsContact OG1-N 3.11Å; T333-D336 PolarHBondContact OG1-OD2 3.44Å; D336-G339 PolarHBondContact O-N 3.45Å; D336-Y340 WeakPolarHBondContact O-CD2 3.46Å; D336-Y340 PolarHBondContact O-N 3.17Å |
| 337 | L | 91.2 | Very high | 82.3 | Confident | 90 Ų | 90 | 114.2 Ų | 114.2 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.5 | -44.3 | 178.2 | -174.7 | 62.7 | 0 | 0 | 0 | 111.9 | I332 T333 Y340 M341 | I332-L337 HydrophobicContact CG2-CB 4.34Å; T333-L337 PolarHBondContact O-N 3Å; L337-Y340 PolarHBondContact O-N 3.39Å; L337-M341 WeakPolarHBondContact O-CG 3.45Å; L337-M341 PolarHBondContact O-N 3.44Å |
| 338 | S | 87.9 | Confident | 82.9 | Confident | 63 Ų | 63 | 116 Ų | 116 | 44% | 0.441 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.6 | -37.5 | 177.3 | 57.5 | 0 | 0 | 0 | 0 | 112.3 | I334 E335 M341 E342 | I334-S338 WeakPolarHBondContact O-CB 3.43Å; I334-S338 PolarHBondContact O-N 3.38Å; I334-S338 PolarHBondContact O-OG 3.05Å; E335-S338 VanDerWaalsContact CA-OG 3.3Å; E335-S338 WeakPolarHBondContact CA-OG 3.43Å; E335-S338 PolarHBondContact O-OG 3.48Å; E335-S338 VanDerWaalsContact O-OG 3.06Å; S338-M341 CarbonylContact O-C 3.59Å; S338-M341 PolarHBondContact O-N 2.93Å; S338-E342 PolarHBondContact O-N 3.17Å |
| 339 | G | 91.2 | Very high | 83.6 | Confident | 35 Ų | 35 | 118.1 Ų | 118.1 | 36% | 0.361 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.6 | -39.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E335 D336 E342 Y343 | E335-G339 PolarHBondContact O-N 3.33Å; D336-G339 PolarHBondContact O-N 3.45Å; G339-E342 PolarHBondContact O-N 2.94Å; G339-Y343 WeakPolarHBondContact O-CB 3.3Å; G339-Y343 PolarHBondContact O-N 3.37Å |
| 340 | Y | 88.2 | Confident | 84.5 | Confident | 138 Ų | 138 | 121.3 Ų | 121.3 | 54% | 0.541 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.6 | -43.8 | 170.4 | -80.2 | -62.1 | 0 | 0 | 0 | 111.4 | D336 L337 Y343 Y344 | D336-Y340 WeakPolarHBondContact O-CD2 3.46Å; D336-Y340 PolarHBondContact O-N 3.17Å; L337-Y340 PolarHBondContact O-N 3.39Å; Y340-Y343 PolarHBondContact O-N 3.29Å; Y340-Y344 HydrophobicContact CD1-CD2 4.5Å; Y340-Y344 AromaticContact CD1-CE2 3.85Å; Y340-Y344 HydrophobicContact CD1-CE2 3.85Å; Y340-Y344 WeakPolarHBondContact O-CD2 3.3Å; Y340-Y344 PolarHBondContact O-N 3.27Å |
| 341 | M | 87.8 | Confident | 85.1 | Confident | 91 Ų | 91 | 119.7 Ų | 119.7 | 45% | 0.448 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.1 | -40.8 | 177.6 | -68.4 | -61.7 | 98.4 | 0 | 0 | 112.3 | L337 S338 Y343 Y344 L345 | L337-M341 WeakPolarHBondContact O-CG 3.45Å; L337-M341 PolarHBondContact O-N 3.44Å; S338-M341 CarbonylContact O-C 3.59Å; S338-M341 PolarHBondContact O-N 2.93Å; M341-Y343 VanDerWaalsContact C-N 3.34Å; M341-Y343 PolarHBondContact O-N 3.36Å; M341-Y344 PolarHBondContact O-N 2.82Å; M341-L345 HydrophobicContact CB-CD1 4.33Å; M341-L345 WeakPolarHBondContact O-CA 3.26Å; M341-L345 WeakPolarHBondContact O-CB 3.29Å; M341-L345 WeakPolarHBondContact O-CG 3.39Å; M341-L345 PolarHBondContact O-N 3.46Å; M341-L345 HydrophobicContact SD-CD1 4.17Å |
| 342 | E | 83.6 | Confident | 85.6 | Confident | 163 Ų | 163 | 117.9 Ų | 117.9 | 76% | 0.762 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.9 | -32.9 | 177.2 | -172.1 | 172.1 | -160.8 | 0 | 0 | 112.3 | S338 G339 | S338-E342 PolarHBondContact O-N 3.17Å; G339-E342 PolarHBondContact O-N 2.94Å |
| 343 | Y | 81.1 | Confident | 85.9 | Confident | 184 Ų | 184 | 119.5 Ų | 119.5 | 72% | 0.722 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -72 | -39 | 175.8 | -177.1 | -102.7 | 0 | 0 | 0 | 113 | G339 Y340 M341 | G339-Y343 WeakPolarHBondContact O-CB 3.3Å; G339-Y343 PolarHBondContact O-N 3.37Å; Y340-Y343 PolarHBondContact O-N 3.29Å; M341-Y343 VanDerWaalsContact C-N 3.34Å; M341-Y343 PolarHBondContact O-N 3.36Å |
| 344 | Y | 82.2 | Confident | 86 | Confident | 158 Ų | 158 | 124 Ų | 124 | 62% | 0.62 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -90.2 | -30.5 | -177.8 | -71.2 | -64 | 0 | 0 | 0 | 113.7 | Y340 M341 Y346 | Y340-Y344 HydrophobicContact CD1-CD2 4.5Å; Y340-Y344 AromaticContact CD1-CE2 3.85Å; Y340-Y344 HydrophobicContact CD1-CE2 3.85Å; Y340-Y344 WeakPolarHBondContact O-CD2 3.3Å; Y340-Y344 PolarHBondContact O-N 3.27Å; M341-Y344 PolarHBondContact O-N 2.82Å; Y344-Y346 PolarHBondContact O-N 3.09Å |
| 345 | L | 84.7 | Confident | 86 | Confident | 97 Ų | 97 | 119.5 Ų | 119.5 | 51% | 0.508 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -96.5 | 87.4 | 174.3 | -55 | 174.7 | 0 | 0 | 0 | 107.9 | M341 I347 | M341-L345 HydrophobicContact CB-CD1 4.33Å; M341-L345 WeakPolarHBondContact O-CA 3.26Å; M341-L345 WeakPolarHBondContact O-CB 3.29Å; M341-L345 WeakPolarHBondContact O-CG 3.39Å; M341-L345 PolarHBondContact O-N 3.46Å; M341-L345 HydrophobicContact SD-CD1 4.17Å; L345-I347 HydrophobicContact CB-CG1 4.25Å; L345-I347 PolarHBondContact O-N 3.33Å |
| 346 | Y | 80.9 | Confident | 85.9 | Confident | 200 Ų | 200 | 117.5 Ų | 117.5 | 78% | 0.784 | 57% | 0.569 | S | S | * | * | | | trans | -66.7 | 90.7 | 166.1 | -178.7 | -104.8 | 0 | 0 | 0 | 108.6 | Y344 P348 | Y344-Y346 PolarHBondContact O-N 3.09Å; Y346-P348 HydrophobicContact CD1-CG 4.13Å; Y346-P348 HydrophobicContact CE1-CB 4.3Å; Y346-P348 HydrophobicContact CE1-CG 3.84Å; Y346-P348 WeakPolarHBondContact O-CD 3.46Å |
| 347 | I | 77.5 | Confident | 86.1 | Confident | 136 Ų | 136 | 119.5 Ų | 119.5 | 70% | 0.697 | 58% | 0.577 | S | S | * | * | | | trans | -89.6 | 108.6 | 171 | -59 | 174.9 | 0 | 0 | 0 | 106.3 | L345 K349 | L345-I347 HydrophobicContact CB-CG1 4.25Å; L345-I347 PolarHBondContact O-N 3.33Å; I347-K349 PolarHBondContact O-N 2.95Å |
| 348 | P | 80.6 | Confident | 86 | Confident | 77 Ų | 77 | 122.4 Ų | 122.4 | 50% | 0.5 | 59% | 0.59 | S | S | . | * | | | trans | -60 | 115.8 | 179.9 | -20.1 | 32.2 | 0 | 0 | 0 | 109.8 | Y346 K350 | Y346-P348 HydrophobicContact CD1-CG 4.13Å; Y346-P348 HydrophobicContact CE1-CB 4.3Å; Y346-P348 HydrophobicContact CE1-CG 3.84Å; Y346-P348 WeakPolarHBondContact O-CD 3.46Å; P348-K350 PolarHBondContact O-N 2.72Å |
| 349 | K | 79.2 | Confident | 85.6 | Confident | 211 Ų | 211 | 128.5 Ų | 128.5 | 92% | 0.917 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -69.2 | -24 | 179.6 | -162.7 | 167.7 | 179.2 | 147 | 0 | 112.4 | I347 | I347-K349 PolarHBondContact O-N 2.95Š|
| 350 | K | 84.5 | Confident | 84.8 | Confident | 163 Ų | 163 | 135 Ų | 135 | 71% | 0.709 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -97.2 | 126.5 | 167.1 | -71.3 | -141.9 | 173.6 | -169.9 | 0 | 108.9 | P348 | P348-K350 PolarHBondContact O-N 2.72Š|
| 351 | M | 82.3 | Confident | 84.6 | Confident | 106 Ų | 106 | 134.8 Ų | 134.8 | 52% | 0.522 | 64% | 0.642 | S | S | . | * | P | Polyproline II helix | trans | -58.7 | 146.4 | 164.4 | -63 | -144.2 | -62.8 | 0 | 0 | 108.2 | A355 E356 Y359 | M351-A355 HydrophobicContact CB-CB 3.94Å; M351-A355 HydrophobicContact CE-CB 4.43Å; M351-A355 HydrophobicContact SD-CB 4.41Å; M351-E356 HydrophobicContact CB-CG 4.34Å; M351-Y359 HydrophobicContact CE-CD2 4Å |
| 352 | S | 89.8 | Confident | 84.4 | Confident | 75 Ų | 75 | 137.1 Ų | 137.1 | 52% | 0.524 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 151.2 | 176 | 71.3 | 0 | 0 | 0 | 0 | 110 | M354 A355 E356 | S352-M354 PolarHBondContact O-N 3.34Å; S352-M354 VanDerWaalsContact O-N 3.12Å; S352-A355 WeakPolarHBondContact O-CA 3.49Å; S352-A355 WeakPolarHBondContact O-CB 3.28Å; S352-A355 PolarHBondContact O-N 3.32Å; S352-A355 PolarHBondContact OG-N 3.49Å; S352-E356 PolarHBondContact O-N 2.97Å |
| 353 | H | 91.3 | Very high | 84.5 | Confident | 140 Ų | 140 | 135.7 Ų | 135.7 | 65% | 0.648 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -53 | -34.5 | 174.6 | 177.4 | -82.9 | 0 | 0 | 0 | 112.3 | E356 M357 | H353-E356 PolarHBondContact O-N 3.01Å; H353-M357 WeakPolarHBondContact O-CG 3.27Å; H353-M357 PolarHBondContact O-N 3.4Å |
| 354 | M | 92.6 | Very high | 84.7 | Confident | 154 Ų | 154 | 132.8 Ų | 132.8 | 76% | 0.759 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -63 | -40.7 | 173.4 | -74 | -171.2 | 73 | 0 | 0 | 112.4 | S352 M358 | S352-M354 PolarHBondContact O-N 3.34Å; S352-M354 VanDerWaalsContact O-N 3.12Å; M354-M358 WeakPolarHBondContact O-CG 3.39Å; M354-M358 PolarHBondContact O-N 3.05Å |
| 355 | A | 87.9 | Confident | 84.8 | Confident | 24 Ų | 24 | 131.3 Ų | 131.3 | 20% | 0.198 | 64% | 0.643 | C | S | . | * | H | α-helix | trans | -69.6 | -40.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | M351 S352 M357 M358 Y359 | M351-A355 HydrophobicContact CB-CB 3.94Å; M351-A355 HydrophobicContact CE-CB 4.43Å; M351-A355 HydrophobicContact SD-CB 4.41Å; S352-A355 WeakPolarHBondContact O-CA 3.49Å; S352-A355 WeakPolarHBondContact O-CB 3.28Å; S352-A355 PolarHBondContact O-N 3.32Å; S352-A355 PolarHBondContact OG-N 3.49Å; A355-M357 VanDerWaalsContact C-N 3.28Å; A355-M357 PolarHBondContact O-N 3.38Å; A355-M358 PolarHBondContact O-N 3.26Å; A355-M358 VanDerWaalsContact O-N 3.14Å; A355-Y359 WeakPolarHBondContact O-CD2 3.36Å; A355-Y359 PolarHBondContact O-N 3.45Å |
| 356 | E | 88.1 | Confident | 84.8 | Confident | 81 Ų | 81 | 133.5 Ų | 133.5 | 38% | 0.379 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -55.4 | -44.8 | 175.4 | -67.3 | 179.2 | 171.9 | 0 | 0 | 111.3 | M351 S352 H353 M358 Y359 T360 | M351-E356 HydrophobicContact CB-CG 4.34Å; S352-E356 PolarHBondContact O-N 2.97Å; H353-E356 PolarHBondContact O-N 3.01Å; E356-M358 VanDerWaalsContact C-N 3.29Å; E356-M358 PolarHBondContact O-N 3.47Å; E356-Y359 PolarHBondContact O-N 3.44Å; E356-T360 VanDerWaalsContact O-CG2 3.24Å; E356-T360 WeakPolarHBondContact O-CG2 3.4Å; E356-T360 PolarHBondContact O-N 3.33Å |
| 357 | M | 94.4 | Very high | 85.1 | Confident | 123 Ų | 123 | 128.8 Ų | 128.8 | 61% | 0.606 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -68.8 | -19.5 | 179.6 | -69 | -63.7 | -55.3 | 0 | 0 | 115.4 | H353 A355 | H353-M357 WeakPolarHBondContact O-CG 3.27Å; H353-M357 PolarHBondContact O-N 3.4Å; A355-M357 VanDerWaalsContact C-N 3.28Å; A355-M357 PolarHBondContact O-N 3.38Å |
| 358 | M | 90.8 | Very high | 85.7 | Confident | 152 Ų | 152 | 128.2 Ų | 128.2 | 75% | 0.749 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -87.3 | -19.8 | 178.6 | -72.7 | -61.3 | -51.3 | 0 | 0 | 112.8 | M354 A355 E356 | M354-M358 WeakPolarHBondContact O-CG 3.39Å; M354-M358 PolarHBondContact O-N 3.05Å; A355-M358 PolarHBondContact O-N 3.26Å; A355-M358 VanDerWaalsContact O-N 3.14Å; E356-M358 VanDerWaalsContact C-N 3.29Å; E356-M358 PolarHBondContact O-N 3.47Å |
| 359 | Y | 79.8 | Confident | 86.1 | Confident | 190 Ų | 190 | 132.5 Ų | 132.5 | 75% | 0.745 | 65% | 0.65 | S | S | * | * | | | trans | -115.9 | 10.9 | -172.1 | -70 | -72 | 0 | 0 | 0 | 113.7 | M351 A355 E356 | M351-Y359 HydrophobicContact CE-CD2 4Å; A355-Y359 WeakPolarHBondContact O-CD2 3.36Å; A355-Y359 PolarHBondContact O-N 3.45Å; E356-Y359 PolarHBondContact O-N 3.44Å |
| 360 | T | 72.4 | Confident | 86.7 | Confident | 171 Ų | 171 | 125.4 Ų | 125.4 | 100% | 1.049 | 63% | 0.626 | S | S | * | * | | | trans | -94.2 | 0 | 174.5 | 51 | 0 | 0 | 0 | 0 | 113.6 | E356 | E356-T360 VanDerWaalsContact O-CG2 3.24Å; E356-T360 WeakPolarHBondContact O-CG2 3.4Å; E356-T360 PolarHBondContact O-N 3.33Å |