| 1 | M | 56.4 | Low | 59.8 | Low | 234 Ų | 234 | 143 Ų | 143 | 100% | 1.153 | 67% | 0.673 | S | S | * | * | | | | 0 | 30.5 | 0 | -76.1 | -153.7 | -159.3 | 0 | 0 | 114 | | |
| 2 | A | 62 | Low | 59.5 | Low | 60 Ų | 60 | 140.3 Ų | 140.3 | 50% | 0.496 | 66% | 0.659 | S | S | . | * | | | trans | -80.7 | -33.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K4 K5 H6 | A2-K4 PolarHBondContact O-N 2.86Å; A2-K5 PolarHBondContact O-N 3.37Å; A2-H6 PolarHBondContact O-CD2 2.99Å |
| 3 | W | 51.8 | Low | 59.4 | Low | 234 Ų | 234 | 137 Ų | 137 | 89% | 0.886 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -67.4 | -34 | -171.1 | -79 | 45.7 | 0 | 0 | 0 | 114.7 | K5 T7 | W3-K5 VanDerWaalsContact C-N 3.27Å; W3-K5 PolarHBondContact O-N 3.14Å; W3-T7 PolarHBondContact O-OG1 3.49Å |
| 4 | K | 60.3 | Low | 59.2 | Low | 174 Ų | 174 | 131 Ų | 131 | 76% | 0.757 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -66.9 | -25.7 | 176.1 | -83.1 | -175.8 | 174.9 | -179 | 0 | 113.2 | A2 | A2-K4 PolarHBondContact O-N 2.86Å |
| 5 | K | 61.6 | Low | 58.8 | Low | 153 Ų | 153 | 125.9 Ų | 125.9 | 67% | 0.665 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -76.2 | -35.5 | -177.4 | -165.7 | 172.4 | -179.2 | -179.1 | 0 | 111.6 | A2 W3 | A2-K5 PolarHBondContact O-N 3.37Å; W3-K5 VanDerWaalsContact C-N 3.27Å; W3-K5 PolarHBondContact O-N 3.14Å |
| 6 | H | 59.3 | Low | 58.5 | Low | 115 Ų | 115 | 127.4 Ų | 127.4 | 53% | 0.532 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -73.8 | -33.7 | -178.4 | -65.6 | -63.3 | 0 | 0 | 0 | 113.6 | A2 N8 Q9 L10 | A2-H6 PolarHBondContact O-CD2 2.99Å; H6-N8 PolarHBondContact O-N 2.9Å; H6-Q9 PolarHBondContact O-N 3.18Å; H6-L10 PolarHBondContact O-N 3.25Å |
| 7 | T | 59.9 | Low | 58.3 | Low | 79 Ų | 79 | 127.4 Ų | 127.4 | 49% | 0.485 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -70.3 | -33.3 | -178.9 | 3 | 0 | 0 | 0 | 0 | 113.2 | W3 Q9 L10 R11 | W3-T7 PolarHBondContact O-OG1 3.49Å; T7-Q9 VanDerWaalsContact C-N 3.32Å; T7-L10 PolarHBondContact O-N 3.05Å; T7-R11 PolarHBondContact O-N 3.46Å |
| 8 | N | 59.1 | Low | 57.9 | Low | 103 Ų | 103 | 123.3 Ų | 123.3 | 55% | 0.551 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70.6 | -28.9 | 176.5 | -73.7 | -17.2 | 0 | 0 | 0 | 112.4 | H6 H12 | H6-N8 PolarHBondContact O-N 2.9Å; N8-H12 PolarHBondContact O-N 3.36Å |
| 9 | Q | 63.7 | Low | 57.5 | Low | 111 Ų | 111 | 125.7 Ų | 125.7 | 52% | 0.519 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -69.3 | -40.9 | 175.9 | -68 | 178.4 | -49 | 0 | 0 | 111.4 | H6 T7 H12 V13 | H6-Q9 PolarHBondContact O-N 3.18Å; T7-Q9 VanDerWaalsContact C-N 3.32Å; Q9-H12 PolarHBondContact O-N 2.79Å; Q9-V13 WeakPolarHBondContact O-CG2 3.2Å; Q9-V13 PolarHBondContact O-N 2.83Å |
| 10 | L | 62.9 | Low | 57.2 | Low | 127 Ų | 127 | 122.5 Ų | 122.5 | 67% | 0.665 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66.6 | -37.8 | 177.3 | -65.4 | 174 | 0 | 0 | 0 | 112.6 | H6 T7 H12 V13 G14 | H6-L10 PolarHBondContact O-N 3.25Å; T7-L10 PolarHBondContact O-N 3.05Å; L10-H12 VanDerWaalsContact C-N 3.28Å; L10-H12 PolarHBondContact O-N 2.9Å; L10-V13 PolarHBondContact O-N 3.5Å; L10-G14 PolarHBondContact O-N 3.41Å |
| 11 | R | 60.5 | Low | 56.7 | Low | 183 Ų | 183 | 123 Ų | 123 | 69% | 0.691 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.8 | -33.8 | 175.5 | -165.4 | -179.1 | -56.6 | 174.2 | 3.7 | 112.3 | T7 G15 | T7-R11 PolarHBondContact O-N 3.46Å; R11-G15 PolarHBondContact O-N 2.97Å |
| 12 | H | 56 | Low | 56.5 | Low | 110 Ų | 110 | 119.1 Ų | 119.1 | 51% | 0.509 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -69.9 | -35.2 | 177.1 | -167 | 71.5 | 0 | 0 | 0 | 112.4 | N8 Q9 L10 K16 | N8-H12 PolarHBondContact O-N 3.36Å; Q9-H12 PolarHBondContact O-N 2.79Å; L10-H12 VanDerWaalsContact C-N 3.28Å; L10-H12 PolarHBondContact O-N 2.9Å; H12-K16 VanDerWaalsContact CE1-CE 3.43Å; H12-K16 WeakPolarHBondContact CE1-CE 3.4Å; H12-K16 PolarHBondContact CE1-NZ 3.09Å; H12-K16 VanDerWaalsContact NE2-CE 3.29Å; H12-K16 WeakPolarHBondContact NE2-CE 3.46Å; H12-K16 PolarHBondContact NE2-NZ 3.01Å; H12-K16 WeakPolarHBondContact O-CB 3.42Å; H12-K16 PolarHBondContact O-N 2.92Å |
| 13 | V | 59 | Low | 56 | Low | 98 Ų | 98 | 119.5 Ų | 119.5 | 59% | 0.594 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -74.2 | -41.3 | 177.1 | 178.7 | 0 | 0 | 0 | 0 | 111.1 | Q9 L10 | Q9-V13 WeakPolarHBondContact O-CG2 3.2Å; Q9-V13 PolarHBondContact O-N 2.83Å; L10-V13 PolarHBondContact O-N 3.5Å |
| 14 | G | 56.4 | Low | 56.1 | Low | 53 Ų | 53 | 117.4 Ų | 117.4 | 55% | 0.546 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -75.5 | -30.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L10 | L10-G14 PolarHBondContact O-N 3.41Å |
| 15 | G | 53.6 | Low | 55.7 | Low | 54 Ų | 54 | 113.1 Ų | 113.1 | 56% | 0.557 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -81.2 | -24.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R11 L17 G18 | R11-G15 PolarHBondContact O-N 2.97Å; G15-L17 VanDerWaalsContact C-N 3.35Å; G15-G18 PolarHBondContact O-N 3.14Å |
| 16 | K | 53.7 | Low | 55.5 | Low | 151 Ų | 151 | 112.9 Ų | 112.9 | 66% | 0.657 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -77.5 | -18 | 176.8 | -92.2 | 179.9 | 167.6 | 175 | 0 | 114 | H12 G18 | H12-K16 VanDerWaalsContact CE1-CE 3.43Å; H12-K16 WeakPolarHBondContact CE1-CE 3.4Å; H12-K16 PolarHBondContact CE1-NZ 3.09Å; H12-K16 VanDerWaalsContact NE2-CE 3.29Å; H12-K16 WeakPolarHBondContact NE2-CE 3.46Å; H12-K16 PolarHBondContact NE2-NZ 3.01Å; H12-K16 WeakPolarHBondContact O-CB 3.42Å; H12-K16 PolarHBondContact O-N 2.92Å; K16-G18 VanDerWaalsContact C-N 3.32Å |
| 17 | L | 54.3 | Low | 55.3 | Low | 127 Ų | 127 | 115.3 Ų | 115.3 | 67% | 0.665 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -4.6 | 174.3 | -71.9 | 163.9 | 0 | 0 | 0 | 112.9 | G15 | G15-L17 VanDerWaalsContact C-N 3.35Š|
| 18 | G | 51.1 | Low | 55.1 | Low | 54 Ų | 54 | 119 Ų | 119 | 56% | 0.557 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -93 | -3.4 | -167.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | G15 K16 | G15-G18 PolarHBondContact O-N 3.14Å; K16-G18 VanDerWaalsContact C-N 3.32Å |
| 19 | N | 50.4 | Low | 54.9 | Low | 168 Ų | 168 | 117.7 Ų | 117.7 | 90% | 0.898 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -142.5 | 14.1 | -166.9 | -102.1 | 18.6 | 0 | 0 | 0 | 116.2 | | |
| 20 | G | 51.7 | Low | 54.3 | Low | 62 Ų | 62 | 118.2 Ų | 118.2 | 64% | 0.639 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -149.3 | -24.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 21 | D | 47.8 | Very low | 54 | Low | 132 Ų | 132 | 120.1 Ų | 120.1 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | | | trans | -111.9 | 46 | -173.3 | -74.8 | -36.2 | 0 | 0 | 0 | 112.9 | A23 | D21-A23 PolarHBondContact O-N 3.48Š|
| 22 | V | 52.1 | Low | 54.2 | Low | 154 Ų | 154 | 115.5 Ų | 115.5 | 93% | 0.933 | 71% | 0.709 | S | S | * | * | | | trans | -78 | 43.6 | 166 | -165 | 0 | 0 | 0 | 0 | 109.9 | | |
| 23 | A | 50.6 | Low | 54.7 | Low | 67 Ų | 67 | 116.7 Ų | 116.7 | 55% | 0.554 | 72% | 0.724 | S | S | * | * | | | trans | -135.4 | 121.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | D21 | D21-A23 PolarHBondContact O-N 3.48Š|
| 24 | Q | 53.8 | Low | 55.2 | Low | 191 Ų | 191 | 119.8 Ų | 119.8 | 89% | 0.893 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 92.1 | 109.9 | 167.2 | -52.7 | 177.2 | 10.3 | 0 | 0 | 114.6 | L26 | Q24-L26 PolarHBondContact O-N 3.42Š|
| 25 | G | 52.6 | Low | 56.1 | Low | 84 Ų | 84 | 125.6 Ų | 125.6 | 87% | 0.866 | 75% | 0.745 | S | S | * | * | | | trans | -55.8 | 107.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | E27 | G25-E27 VanDerWaalsContact C-N 3.31Å; G25-E27 PolarHBondContact O-N 3.15Å |
| 26 | L | 57.4 | Low | 57 | Low | 148 Ų | 148 | 128.8 Ų | 128.8 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | | | trans | -72.7 | 94.6 | 167 | -165.6 | 79 | 0 | 0 | 0 | 106.6 | Q24 I28 | Q24-L26 PolarHBondContact O-N 3.42Å; L26-I28 VanDerWaalsContact C-N 3.26Å; L26-I28 HydrophobicContact CD2-CG2 4.01Å; L26-I28 HydrophobicContact CG-CG2 4.39Å; L26-I28 PolarHBondContact O-N 2.95Å |
| 27 | E | 53.9 | Low | 58.1 | Low | 165 Ų | 165 | 125.7 Ų | 125.7 | 77% | 0.771 | 76% | 0.756 | S | S | * | * | | | trans | -56.1 | 93.6 | 165 | -153.6 | -164.5 | 146.4 | 0 | 0 | 107.7 | G25 S29 | G25-E27 VanDerWaalsContact C-N 3.31Å; G25-E27 PolarHBondContact O-N 3.15Å; E27-S29 WeakPolarHBondContact CG-OG 3.48Å; E27-S29 PolarHBondContact O-N 2.98Å; E27-S29 PolarHBondContact OE1-OG 3.21Å |
| 28 | I | 56.1 | Low | 59.1 | Low | 158 Ų | 158 | 127 Ų | 127 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | | | trans | -77.3 | 62.8 | 175.5 | 35 | 171.8 | 0 | 0 | 0 | 108.9 | L26 S30 | L26-I28 VanDerWaalsContact C-N 3.26Å; L26-I28 HydrophobicContact CD2-CG2 4.01Å; L26-I28 HydrophobicContact CG-CG2 4.39Å; L26-I28 PolarHBondContact O-N 2.95Å; I28-S30 PolarHBondContact O-N 2.95Å |
| 29 | S | 55.5 | Low | 60.2 | Low | 75 Ų | 75 | 135.2 Ų | 135.2 | 52% | 0.524 | 78% | 0.776 | S | S | . | * | | | trans | -86.1 | 105.4 | 175 | -67.7 | 0 | 0 | 0 | 0 | 109.5 | E27 | E27-S29 WeakPolarHBondContact CG-OG 3.48Å; E27-S29 PolarHBondContact O-N 2.98Å; E27-S29 PolarHBondContact OE1-OG 3.21Å |
| 30 | S | 51.8 | Low | 61.4 | Low | 122 Ų | 122 | 133.6 Ų | 133.6 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | | | trans | 49.4 | 76.4 | 156.7 | -68.8 | 0 | 0 | 0 | 0 | 118.3 | I28 | I28-S30 PolarHBondContact O-N 2.95Š|
| 31 | L | 56.8 | Low | 62.6 | Low | 166 Ų | 166 | 139.2 Ų | 139.2 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | | | trans | -83.8 | 113.8 | 145.8 | -95.5 | 151.4 | 0 | 0 | 0 | 107.4 | V33 | L31-V33 PolarHBondContact O-N 3.25Å; L31-V33 VanDerWaalsContact O-N 3.11Å |
| 32 | A | 62.8 | Low | 63.8 | Low | 86 Ų | 86 | 143.4 Ų | 143.4 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | | | trans | -55.3 | 116.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | E34 | A32-E34 VanDerWaalsContact C-N 3.32Å; A32-E34 PolarHBondContact O-N 3.09Å |
| 33 | V | 67.8 | Low | 64.7 | Low | 135 Ų | 135 | 145.1 Ų | 145.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -75.1 | 90.3 | 175.9 | -179.8 | 0 | 0 | 0 | 0 | 106.8 | L31 E35 | L31-V33 PolarHBondContact O-N 3.25Å; L31-V33 VanDerWaalsContact O-N 3.11Å; V33-E35 VanDerWaalsContact C-N 3.33Å; V33-E35 PolarHBondContact O-N 3.16Å |
| 34 | E | 70 | Confident | 65.8 | Low | 164 Ų | 164 | 146 Ų | 146 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | | | trans | -67.7 | 95.8 | 164.8 | -75.7 | -67.6 | 159.1 | 0 | 0 | 107.8 | A32 T36 | A32-E34 VanDerWaalsContact C-N 3.32Å; A32-E34 PolarHBondContact O-N 3.09Å; E34-T36 PolarHBondContact O-N 3.01Å |
| 35 | E | 75.1 | Confident | 66.4 | Low | 175 Ų | 175 | 141.3 Ų | 141.3 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | -68.8 | 96.7 | 175.2 | -169.8 | 179.1 | 174.5 | 0 | 0 | 109.1 | V33 A37 | V33-E35 VanDerWaalsContact C-N 3.33Å; V33-E35 PolarHBondContact O-N 3.16Å; E35-A37 PolarHBondContact O-N 3.02Å; E35-A37 VanDerWaalsContact O-N 3.16Å |
| 36 | T | 71.5 | Confident | 66.9 | Low | 121 Ų | 121 | 141.8 Ų | 141.8 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | | | trans | -78.7 | 99.1 | 173.9 | 40.5 | 0 | 0 | 0 | 0 | 109.6 | E34 I38 | E34-T36 PolarHBondContact O-N 3.01Å; T36-I38 PolarHBondContact O-N 3Å |
| 37 | A | 77.9 | Confident | 67.1 | Low | 85 Ų | 85 | 137.2 Ų | 137.2 | 70% | 0.702 | 74% | 0.736 | S | S | * | * | | | trans | -65.3 | 101.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | E35 R39 | E35-A37 PolarHBondContact O-N 3.02Å; E35-A37 VanDerWaalsContact O-N 3.16Å; A37-R39 PolarHBondContact O-N 2.99Å; A37-R39 VanDerWaalsContact O-N 3.09Å |
| 38 | I | 75.6 | Confident | 67.5 | Low | 155 Ų | 155 | 136.5 Ų | 136.5 | 80% | 0.795 | 74% | 0.737 | S | S | * | * | | | trans | -70.4 | 104.4 | 170.9 | -59.9 | 172.1 | 0 | 0 | 0 | 107.8 | T36 L40 | T36-I38 PolarHBondContact O-N 3Å; I38-L40 PolarHBondContact O-N 3.11Å |
| 39 | R | 73.5 | Confident | 67.8 | Low | 226 Ų | 226 | 136 Ų | 136 | 85% | 0.853 | 73% | 0.734 | S | S | * | * | | | trans | -72.2 | 111.6 | 170 | -70.3 | -175.1 | 177.6 | -176.9 | 0.3 | 109.1 | A37 E41 | A37-R39 PolarHBondContact O-N 2.99Å; A37-R39 VanDerWaalsContact O-N 3.09Å; R39-E41 PolarHBondContact O-N 3.49Å |
| 40 | L | 75 | Confident | 68 | Low | 135 Ų | 135 | 135.4 Ų | 135.4 | 71% | 0.707 | 74% | 0.74 | S | S | * | * | | | trans | -80.2 | 94.2 | 173.9 | -154.3 | 101.4 | 0 | 0 | 0 | 109.1 | I38 R42 | I38-L40 PolarHBondContact O-N 3.11Å; L40-R42 HydrophobicContact CD2-CG 3.9Å; L40-R42 PolarHBondContact O-N 3.49Å |
| 41 | E | 77.9 | Confident | 68.4 | Low | 180 Ų | 180 | 140.9 Ų | 140.9 | 84% | 0.841 | 74% | 0.741 | S | S | * | * | | | trans | -63.2 | 95.8 | 167.3 | -74.5 | -89.8 | 148.3 | 0 | 0 | 108.8 | R39 R43 | R39-E41 PolarHBondContact O-N 3.49Å; E41-R43 PolarHBondContact O-N 3.33Å |
| 42 | R | 72.2 | Confident | 68.5 | Low | 219 Ų | 219 | 140.3 Ų | 140.3 | 83% | 0.826 | 73% | 0.734 | S | S | * | * | | | trans | -73.5 | 88.4 | 173.1 | -72 | -170.2 | 178.1 | -165 | 1.1 | 109.2 | L40 | L40-R42 HydrophobicContact CD2-CG 3.9Å; L40-R42 PolarHBondContact O-N 3.49Å |
| 43 | R | 72 | Confident | 68.4 | Low | 190 Ų | 190 | 144.7 Ų | 144.7 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | | | trans | -65.9 | 125.2 | 163.7 | -169.3 | 172.6 | 177.8 | 172.6 | -6.2 | 108 | E41 A45 S47 | E41-R43 PolarHBondContact O-N 3.33Å; R43-A45 PolarHBondContact O-N 3.19Å; R43-S47 VanDerWaalsContact CZ-OG 3.3Å; R43-S47 VanDerWaalsContact NE-CB 3.26Å; R43-S47 PolarHBondContact NE-OG 2.87Å; R43-S47 PolarHBondContact NH2-O 3.41Å; R43-S47 PolarHBondContact NH2-OG 3.18Å |
| 44 | P | 73.4 | Confident | 68.2 | Low | 85 Ų | 85 | 143 Ų | 143 | 55% | 0.552 | 73% | 0.729 | S | S | * | * | | | trans | -61.9 | 138.3 | 177.6 | 24.4 | -32.3 | 0 | 0 | 0 | 109.8 | S46 S47 | P44-S46 PolarHBondContact O-N 3.38Å; P44-S47 WeakPolarHBondContact O-CB 3.29Å; P44-S47 PolarHBondContact O-N 3.03Å |
| 45 | A | 65.5 | Low | 67.9 | Low | 93 Ų | 93 | 144.2 Ų | 144.2 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -55.9 | -19.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R43 S47 | R43-A45 PolarHBondContact O-N 3.19Å; A45-S47 PolarHBondContact O-N 3.38Å |
| 46 | S | 64 | Low | 67.2 | Low | 95 Ų | 95 | 145 Ų | 145 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -70.1 | -5.8 | 175 | 55.9 | 0 | 0 | 0 | 0 | 114.9 | P44 I48 | P44-S46 PolarHBondContact O-N 3.38Å; S46-I48 VanDerWaalsContact C-N 3.34Å |
| 47 | S | 60.2 | Low | 66.7 | Low | 51 Ų | 51 | 142.8 Ų | 142.8 | 36% | 0.357 | 73% | 0.725 | S | S | . | * | G | 310 helix | trans | -88.7 | 2.2 | -178.8 | -162.6 | 0 | 0 | 0 | 0 | 114.1 | R43 P44 A45 I49 | R43-S47 VanDerWaalsContact CZ-OG 3.3Å; R43-S47 VanDerWaalsContact NE-CB 3.26Å; R43-S47 PolarHBondContact NE-OG 2.87Å; R43-S47 PolarHBondContact NH2-O 3.41Å; R43-S47 PolarHBondContact NH2-OG 3.18Å; P44-S47 WeakPolarHBondContact O-CB 3.29Å; P44-S47 PolarHBondContact O-N 3.03Å; A45-S47 PolarHBondContact O-N 3.38Å; S47-I49 VanDerWaalsContact C-N 3.26Å; S47-I49 PolarHBondContact O-N 2.9Å |
| 48 | I | 63.8 | Low | 66.1 | Low | 151 Ų | 151 | 144.5 Ų | 144.5 | 77% | 0.774 | 73% | 0.729 | S | S | * | * | | | trans | -89.1 | 66.5 | 172.5 | -50.1 | 170.4 | 0 | 0 | 0 | 108.3 | S46 | S46-I48 VanDerWaalsContact C-N 3.34Š|
| 49 | I | 60.7 | Low | 65.4 | Low | 148 Ų | 148 | 146.7 Ų | 146.7 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | | | trans | -111.1 | 60.8 | 160.1 | -48.8 | 177.9 | 0 | 0 | 0 | 106.1 | S47 R51 | S47-I49 VanDerWaalsContact C-N 3.26Å; S47-I49 PolarHBondContact O-N 2.9Å; I49-R51 PolarHBondContact O-N 2.85Å |
| 50 | G | 61.1 | Low | 64.4 | Low | 62 Ų | 62 | 141 Ų | 141 | 64% | 0.639 | 72% | 0.724 | S | S | * | * | | | trans | -72.6 | 120 | 159.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | H52 | G50-H52 PolarHBondContact O-N 2.99Š|
| 51 | R | 60.7 | Low | 63.3 | Low | 236 Ų | 236 | 139.2 Ų | 139.2 | 89% | 0.891 | 72% | 0.723 | S | S | * | * | | | trans | -59.9 | 92.3 | 170.6 | -66.8 | -178.7 | 178.6 | -175.7 | -0.4 | 107.6 | I49 E53 | I49-R51 PolarHBondContact O-N 2.85Å; R51-E53 VanDerWaalsContact C-N 3.33Å; R51-E53 PolarHBondContact O-N 3.28Å; R51-E53 VanDerWaalsContact O-N 3.14Å |
| 52 | H | 58.9 | Low | 62.3 | Low | 155 Ų | 155 | 140.2 Ų | 140.2 | 72% | 0.718 | 72% | 0.72 | S | S | * | * | | | trans | -76.8 | 95.7 | 166 | -168 | -68.9 | 0 | 0 | 0 | 105.4 | G50 V54 | G50-H52 PolarHBondContact O-N 2.99Å; H52-V54 WeakPolarHBondContact ND1-CG2 3.43Å; H52-V54 PolarHBondContact ND1-N 3.48Å; H52-V54 PolarHBondContact O-N 3.41Å |
| 53 | E | 59.1 | Low | 61.5 | Low | 178 Ų | 178 | 139.5 Ų | 139.5 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | | | trans | -62.2 | 92.4 | 162.2 | -74.5 | -177.9 | 177.3 | 0 | 0 | 106.4 | R51 E55 | R51-E53 VanDerWaalsContact C-N 3.33Å; R51-E53 PolarHBondContact O-N 3.28Å; R51-E53 VanDerWaalsContact O-N 3.14Å; E53-E55 VanDerWaalsContact C-N 3.33Å; E53-E55 PolarHBondContact O-N 3.27Å |
| 54 | V | 64 | Low | 60.7 | Low | 98 Ų | 98 | 136 Ų | 136 | 59% | 0.594 | 73% | 0.725 | S | S | * | * | | | trans | -69.9 | 99.3 | 167.9 | 179.1 | 0 | 0 | 0 | 0 | 105.3 | H52 K56 | H52-V54 WeakPolarHBondContact ND1-CG2 3.43Å; H52-V54 PolarHBondContact ND1-N 3.48Å; H52-V54 PolarHBondContact O-N 3.41Å; V54-K56 VanDerWaalsContact C-N 3.3Å; V54-K56 HydrophobicContact CG1-CG 4.49Å; V54-K56 PolarHBondContact O-N 3.23Å |
| 55 | E | 63.5 | Low | 59.7 | Low | 190 Ų | 190 | 135.9 Ų | 135.9 | 89% | 0.888 | 74% | 0.74 | S | S | * | * | | | trans | -58.4 | 100.9 | 161.3 | -165.2 | -179.6 | -172.8 | 0 | 0 | 106.8 | E53 S57 | E53-E55 VanDerWaalsContact C-N 3.33Å; E53-E55 PolarHBondContact O-N 3.27Å; E55-S57 PolarHBondContact O-N 3.23Å |
| 56 | K | 61.4 | Low | 59 | Low | 191 Ų | 191 | 136.3 Ų | 136.3 | 83% | 0.83 | 73% | 0.733 | S | S | * | * | | | trans | -67.7 | 99.8 | 179.1 | -83 | -176.8 | 174.8 | -178.5 | 0 | 108 | V54 | V54-K56 VanDerWaalsContact C-N 3.3Å; V54-K56 HydrophobicContact CG1-CG 4.49Å; V54-K56 PolarHBondContact O-N 3.23Å |
| 57 | S | 59.6 | Low | 58.4 | Low | 75 Ų | 75 | 136.1 Ų | 136.1 | 52% | 0.524 | 73% | 0.732 | S | S | . | * | | | trans | -55.6 | 129.4 | 162.3 | 174.2 | 0 | 0 | 0 | 0 | 109.1 | E55 Y59 S60 | E55-S57 PolarHBondContact O-N 3.23Å; S57-Y59 PolarHBondContact O-N 2.93Å; S57-S60 PolarHBondContact O-N 3.26Å |
| 58 | P | 66.7 | Low | 58.3 | Low | 121 Ų | 121 | 139.3 Ų | 139.3 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 3.3 | -175.4 | 25.7 | -33.3 | 0 | 0 | 0 | 114.5 | | |
| 59 | Y | 59.9 | Low | 57.9 | Low | 202 Ų | 202 | 139.9 Ų | 139.9 | 79% | 0.792 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | 6.5 | -178.2 | -71.6 | -78.7 | 0 | 0 | 0 | 114.8 | S57 S61 | S57-Y59 PolarHBondContact O-N 2.93Å; Y59-S61 PolarHBondContact O-N 3.03Å |
| 60 | S | 52 | Low | 57.4 | Low | 106 Ų | 106 | 141.4 Ų | 141.4 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | | | trans | -99.2 | 84.3 | -178.6 | -163.5 | 0 | 0 | 0 | 0 | 112 | S57 | S57-S60 PolarHBondContact O-N 3.26Š|
| 61 | S | 52.5 | Low | 57.1 | Low | 98 Ų | 98 | 141.8 Ų | 141.8 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | | | trans | -114.8 | 83.2 | 165.7 | 62.3 | 0 | 0 | 0 | 0 | 109.3 | Y59 | Y59-S61 PolarHBondContact O-N 3.03Š|
| 62 | Y | 56.3 | Low | 56.7 | Low | 200 Ų | 200 | 135.1 Ų | 135.1 | 78% | 0.784 | 73% | 0.732 | S | S | * | * | | | trans | -139.4 | 102 | 156.9 | -62.6 | -72.7 | 0 | 0 | 0 | 108.2 | V64 | Y62-V64 PolarHBondContact O-N 3.01Š|
| 63 | E | 56.4 | Low | 56.3 | Low | 205 Ų | 205 | 135.2 Ų | 135.2 | 96% | 0.958 | 73% | 0.732 | S | S | * | * | | | trans | -60.4 | 98.9 | 163.4 | -66.5 | -179.7 | 161 | 0 | 0 | 108.1 | | |
| 64 | V | 54.5 | Low | 55.9 | Low | 115 Ų | 115 | 134.4 Ų | 134.4 | 70% | 0.697 | 73% | 0.729 | S | S | * | * | | | trans | -105.4 | 73.4 | 167.2 | -173.8 | 0 | 0 | 0 | 0 | 107.3 | Y62 V66 | Y62-V64 PolarHBondContact O-N 3.01Å; V64-V66 HydrophobicContact CG1-CB 4.13Å; V64-V66 HydrophobicContact CG1-CG2 3.51Å; V64-V66 PolarHBondContact O-N 3.4Å; V64-V66 VanDerWaalsContact O-N 3.09Å |
| 65 | G | 52.7 | Low | 55.3 | Low | 83 Ų | 83 | 135 Ų | 135 | 86% | 0.856 | 73% | 0.733 | S | S | * | * | | | trans | -74.5 | 77.6 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 66 | V | 50.5 | Low | 54.9 | Low | 103 Ų | 103 | 132 Ų | 132 | 62% | 0.624 | 72% | 0.722 | S | S | * | * | | | trans | -106.2 | 98.3 | 169.6 | 179.1 | 0 | 0 | 0 | 0 | 107.8 | V64 T68 | V64-V66 HydrophobicContact CG1-CB 4.13Å; V64-V66 HydrophobicContact CG1-CG2 3.51Å; V64-V66 PolarHBondContact O-N 3.4Å; V64-V66 VanDerWaalsContact O-N 3.09Å; V66-T68 PolarHBondContact O-N 3.47Å; V66-T68 VanDerWaalsContact O-N 3.14Å |
| 67 | S | 51.8 | Low | 54.5 | Low | 91 Ų | 91 | 133.4 Ų | 133.4 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | | | trans | -55.4 | 113.8 | 163.7 | 173.3 | 0 | 0 | 0 | 0 | 108.6 | E69 | S67-E69 PolarHBondContact O-N 2.96Å; S67-E69 VanDerWaalsContact O-N 3.15Å |
| 68 | T | 57.3 | Low | 54.3 | Low | 117 Ų | 117 | 134.9 Ų | 134.9 | 72% | 0.718 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -74 | 6.3 | -178 | 40.6 | 0 | 0 | 0 | 0 | 113.6 | V66 K70 | V66-T68 PolarHBondContact O-N 3.47Å; V66-T68 VanDerWaalsContact O-N 3.14Å; T68-K70 PolarHBondContact O-N 2.89Å |
| 69 | E | 55.9 | Low | 53.7 | Low | 163 Ų | 163 | 134 Ų | 134 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -80.5 | -12.7 | -171.7 | -141.1 | 172.7 | -172.1 | 0 | 0 | 114.4 | S67 | S67-E69 PolarHBondContact O-N 2.96Å; S67-E69 VanDerWaalsContact O-N 3.15Å |
| 70 | K | 51.7 | Low | 53.6 | Low | 181 Ų | 181 | 131 Ų | 131 | 79% | 0.787 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -104.5 | -7.8 | 179.7 | -73.6 | -170.9 | 178 | -178.7 | 0 | 115.9 | T68 V72 | T68-K70 PolarHBondContact O-N 2.89Å; K70-V72 VanDerWaalsContact C-N 3.34Å; K70-V72 PolarHBondContact O-N 3.45Å |
| 71 | A | 52.8 | Low | 53.5 | Low | 69 Ų | 69 | 137.1 Ų | 137.1 | 57% | 0.57 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -76 | -21.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 72 | V | 53.2 | Low | 53.5 | Low | 97 Ų | 97 | 141.7 Ų | 141.7 | 59% | 0.588 | 77% | 0.767 | S | S | * | * | H | α-helix | trans | -78.6 | -21.9 | -173.7 | -176.3 | 0 | 0 | 0 | 0 | 112.9 | K70 | K70-V72 VanDerWaalsContact C-N 3.34Å; K70-V72 PolarHBondContact O-N 3.45Å |
| 73 | H | 50.5 | Low | 53.3 | Low | 156 Ų | 156 | 138.8 Ų | 138.8 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | H | α-helix | trans | -89.5 | -14.8 | -176.9 | -91.8 | -84.3 | 0 | 0 | 0 | 115.5 | | |
| 74 | Q | 50.4 | Low | 53.2 | Low | 162 Ų | 162 | 135.3 Ų | 135.3 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | H | α-helix | trans | -89.4 | -27.5 | 179.4 | -82.4 | -175.6 | -3.1 | 0 | 0 | 113.7 | L76 | Q74-L76 VanDerWaalsContact C-N 3.35Å |
| 75 | T | 51.2 | Low | 53.1 | Low | 111 Ų | 111 | 136.4 Ų | 136.4 | 68% | 0.681 | 76% | 0.759 | S | S | * | * | H | α-helix | trans | -77.7 | -20.8 | 180 | -44.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 76 | L | 55.2 | Low | 53.1 | Low | 127 Ų | 127 | 139.5 Ų | 139.5 | 67% | 0.665 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -6.4 | -178.8 | -72.2 | 168.9 | 0 | 0 | 0 | 114.7 | Q74 | Q74-L76 VanDerWaalsContact C-N 3.35Š|
| 77 | R | 53.6 | Low | 53.3 | Low | 220 Ų | 220 | 141.8 Ų | 141.8 | 83% | 0.83 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -94.9 | -12.4 | -176.9 | -137.2 | 174.5 | -173.6 | 166.7 | 1.3 | 114.3 | | |
| 78 | S | 55.2 | Low | 53.4 | Low | 105 Ų | 105 | 145.2 Ų | 145.2 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -99.7 | 4.4 | -172.2 | -49.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 79 | S | 55.2 | Low | 53.1 | Low | 102 Ų | 102 | 147.2 Ų | 147.2 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -116 | 9.6 | -175.1 | -61.6 | 0 | 0 | 0 | 0 | 115 | | |
| 80 | N | 56.1 | Low | 52.9 | Low | 139 Ų | 139 | 146 Ų | 146 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -113.7 | 24 | -178.2 | -76 | -17.3 | 0 | 0 | 0 | 114.6 | | |
| 81 | Y | 50.6 | Low | 53 | Low | 236 Ų | 236 | 143.1 Ų | 143.1 | 93% | 0.925 | 77% | 0.773 | S | S | * | * | | | trans | -127.1 | 93.4 | 168.6 | -84.7 | -89 | 0 | 0 | 0 | 109.1 | | |
| 82 | S | 52.2 | Low | 53 | Low | 193 Ų | 193 | 149.8 Ų | 149.8 | 100% | 1.35 | 79% | 0.792 | S | S | * | * | | | trans | -137 | 0 | 155.6 | -173 | 0 | 0 | 0 | 0 | 108.8 | | |