| 1 | M | 33.4 | Very low | 31.4 | Very low | 227 Ų | 227 | 140.6 Ų | 140.6 | 100% | 1.118 | 77% | 0.774 | S | S | * | * | | | | 0 | 120.8 | 0 | -163 | 173.1 | 78 | 0 | 0 | 105.7 | | |
| 2 | I | 31 | Very low | 31.7 | Very low | 164 Ų | 164 | 147.7 Ų | 147.7 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | | | trans | 66.1 | 128.6 | -165.8 | -41.7 | 171.3 | 0 | 0 | 0 | 112.6 | | |
| 3 | A | 28.1 | Very low | 31.9 | Very low | 74 Ų | 74 | 146.8 Ų | 146.8 | 61% | 0.612 | 78% | 0.777 | S | S | * | * | | | cis | -153.3 | 137.1 | -30.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | D5 | A3-D5 PolarHBondContact O-N 2.63Š|
| 4 | E | 27.9 | Very low | 32.3 | Very low | 182 Ų | 182 | 143.9 Ų | 143.9 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | | | trans | -89.1 | 91.2 | 170.8 | -70.4 | -177.5 | 163.6 | 0 | 0 | 108.5 | S6 | E4-S6 PolarHBondContact O-N 3.09Š|
| 5 | D | 32.6 | Very low | 32.5 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -74.1 | 66.4 | 168.3 | -79.7 | -30.7 | 0 | 0 | 0 | 110 | A3 S7 | A3-D5 PolarHBondContact O-N 2.63Å; D5-S7 PolarHBondContact O-N 2.98Å |
| 6 | S | 27.7 | Very low | 32.8 | Very low | 85 Ų | 85 | 141.3 Ų | 141.3 | 59% | 0.594 | 77% | 0.771 | S | S | * | * | | | trans | -88.9 | 59.9 | 167.5 | 52.8 | 0 | 0 | 0 | 0 | 109.8 | E4 I8 | E4-S6 PolarHBondContact O-N 3.09Å; S6-I8 PolarHBondContact O-N 3.18Å |
| 7 | S | 32.8 | Very low | 33.1 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | -71.4 | 69.2 | 167.7 | 55.1 | 0 | 0 | 0 | 0 | 110.5 | D5 M9 | D5-S7 PolarHBondContact O-N 2.98Å; S7-M9 PolarHBondContact O-N 3.11Å |
| 8 | I | 32.6 | Very low | 33.2 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 77% | 0.774 | 76% | 0.763 | S | S | * | * | | | trans | -61.7 | 95.2 | 157.2 | -64.7 | 170.1 | 0 | 0 | 0 | 105.1 | S6 | S6-I8 PolarHBondContact O-N 3.18Š|
| 9 | M | 31.1 | Very low | 33.1 | Very low | 160 Ų | 160 | 139.3 Ų | 139.3 | 79% | 0.788 | 77% | 0.77 | S | S | * | * | | | trans | -57 | 122.5 | 171.2 | -154.2 | 171.1 | 79.4 | 0 | 0 | 106.1 | S7 I11 | S7-M9 PolarHBondContact O-N 3.11Å; M9-I11 PolarHBondContact O-N 3.13Å; M9-I11 VanDerWaalsContact O-N 3.15Å |
| 10 | P | 32 | Very low | 33.2 | Very low | 85 Ų | 85 | 137.3 Ų | 137.3 | 55% | 0.552 | 77% | 0.766 | S | S | * | * | | | trans | -57.8 | 128.1 | 177.1 | 23.2 | -31.5 | 0 | 0 | 0 | 107.1 | W12 | P10-W12 PolarHBondContact O-N 2.93Š|
| 11 | I | 35.8 | Very low | 33.1 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 80% | 0.795 | 78% | 0.775 | S | S | * | * | | | trans | -66.5 | 100 | 164.5 | -62.5 | 170.9 | 0 | 0 | 0 | 103.8 | M9 D13 | M9-I11 PolarHBondContact O-N 3.13Å; M9-I11 VanDerWaalsContact O-N 3.15Å; I11-D13 PolarHBondContact O-N 2.89Å |
| 12 | W | 35.7 | Very low | 33 | Very low | 225 Ų | 225 | 131.2 Ų | 131.2 | 85% | 0.852 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 116.8 | 164.6 | -76.7 | 44.9 | 0 | 0 | 0 | 104.9 | P10 | P10-W12 PolarHBondContact O-N 2.93Š|
| 13 | D | 33.6 | Very low | 33 | Very low | 137 Ų | 137 | 132.5 Ų | 132.5 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 134 | 168.5 | -68 | -50.2 | 0 | 0 | 0 | 107.7 | I11 | I11-D13 PolarHBondContact O-N 2.89Š|
| 14 | P | 37.6 | Very low | 33.1 | Very low | 105 Ų | 105 | 136.1 Ų | 136.1 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 133.7 | 175.4 | 25.1 | -33.1 | 0 | 0 | 0 | 107.5 | T16 | P14-T16 PolarHBondContact O-N 3.34Š|
| 15 | P | 35.8 | Very low | 33.1 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | | | trans | -57.5 | 115.5 | -174.6 | 22.9 | -33.2 | 0 | 0 | 0 | 108.9 | P17 | P15-P17 WeakPolarHBondContact O-CD 3.4Å; P15-P17 VanDerWaalsContact O-N 3.1Å |
| 16 | T | 36.9 | Very low | 32.9 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 118.9 | 174 | -41.4 | 0 | 0 | 0 | 0 | 107 | P14 | P14-T16 PolarHBondContact O-N 3.34Š|
| 17 | P | 37.8 | Very low | 33 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 133.7 | 178.2 | 23.7 | -32.2 | 0 | 0 | 0 | 107.9 | P15 L19 | P15-P17 WeakPolarHBondContact O-CD 3.4Å; P15-P17 VanDerWaalsContact O-N 3.1Å; P17-L19 PolarHBondContact O-N 3.13Å; P17-L19 VanDerWaalsContact O-N 3.15Å |
| 18 | P | 35.2 | Very low | 32.9 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 124 | -178.1 | 24.4 | -32.8 | 0 | 0 | 0 | 108.9 | S20 | P18-S20 PolarHBondContact O-N 2.84Š|
| 19 | L | 31.8 | Very low | 32.9 | Very low | 172 Ų | 172 | 135.4 Ų | 135.4 | 90% | 0.901 | 77% | 0.771 | S | S | * | * | | | trans | -67.7 | 84.8 | 168.5 | -70.4 | 165.5 | 0 | 0 | 0 | 107.8 | P17 | P17-L19 PolarHBondContact O-N 3.13Å; P17-L19 VanDerWaalsContact O-N 3.15Å |
| 20 | S | 33.8 | Very low | 32.9 | Very low | 99 Ų | 99 | 133.7 Ų | 133.7 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | | | trans | -85.2 | 111.1 | 170.5 | 57.5 | 0 | 0 | 0 | 0 | 109.1 | P18 G22 | P18-S20 PolarHBondContact O-N 2.84Å; S20-G22 PolarHBondContact O-N 3.15Å |
| 21 | D | 31.9 | Very low | 33 | Very low | 177 Ų | 177 | 136.4 Ų | 136.4 | 95% | 0.947 | 78% | 0.775 | S | S | * | * | | | trans | -61.5 | 95.4 | 165.5 | -60.4 | -52.3 | 0 | 0 | 0 | 109 | | |
| 22 | G | 31.8 | Very low | 33 | Very low | 61 Ų | 61 | 134.7 Ų | 134.7 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | | | trans | 179.7 | 137.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S20 | S20-G22 PolarHBondContact O-N 3.15Š|
| 23 | E | 31.3 | Very low | 32.9 | Very low | 190 Ų | 190 | 127.8 Ų | 127.8 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -66.9 | 135.1 | 175.2 | -58.9 | 166.9 | 135.6 | 0 | 0 | 110.3 | | |
| 24 | D | 28.7 | Very low | 32.9 | Very low | 150 Ų | 150 | 130.1 Ų | 130.1 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | | | trans | 137.1 | 61.3 | 161 | -74 | -21.8 | 0 | 0 | 0 | 115.1 | F26 | D24-F26 VanDerWaalsContact C-N 3.28Å; D24-F26 PolarHBondContact O-N 3.05Å; D24-F26 VanDerWaalsContact O-N 3.13Å |
| 25 | C | 29.3 | Very low | 32.5 | Very low | 130 Ų | 130 | 127.1 Ų | 127.1 | 88% | 0.878 | 75% | 0.746 | S | S | * | * | | | trans | -85.3 | 59.1 | 167.7 | -75.5 | 0 | 0 | 0 | 0 | 113 | | |
| 26 | F | 27.2 | Very low | 32.2 | Very low | 210 Ų | 210 | 127.3 Ų | 127.3 | 92% | 0.921 | 75% | 0.747 | S | S | * | * | | | trans | -120.6 | 59.3 | 164 | -79.8 | -75.6 | 0 | 0 | 0 | 111 | D24 | D24-F26 VanDerWaalsContact C-N 3.28Å; D24-F26 PolarHBondContact O-N 3.05Å; D24-F26 VanDerWaalsContact O-N 3.13Å |
| 27 | A | 31.4 | Very low | 31.7 | Very low | 88 Ų | 88 | 131.3 Ų | 131.3 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | trans | -107.6 | 104.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | V29 | A27-V29 PolarHBondContact O-N 2.87Š|
| 28 | T | 29.9 | Very low | 31.3 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | | | trans | -62.2 | 113.6 | 167.4 | 43.9 | 0 | 0 | 0 | 0 | 109 | D30 | T28-D30 PolarHBondContact O-N 2.83Š|
| 29 | V | 32.3 | Very low | 30.9 | Very low | 108 Ų | 108 | 138.8 Ų | 138.8 | 66% | 0.655 | 76% | 0.759 | S | S | * | * | | | trans | -71.7 | 116.8 | 167.8 | 179.7 | 0 | 0 | 0 | 0 | 107.2 | A27 D31 | A27-V29 PolarHBondContact O-N 2.87Å; V29-D31 PolarHBondContact O-N 3.32Å |
| 30 | D | 30.4 | Very low | 30.7 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 66% | 0.658 | 75% | 0.751 | S | S | * | * | | | trans | -61.1 | 120.6 | 172.6 | -77.4 | -43.2 | 0 | 0 | 0 | 109.6 | T28 D32 A33 | T28-D30 PolarHBondContact O-N 2.83Å; D30-D32 PolarHBondContact O-N 2.96Å; D30-A33 PolarHBondContact O-N 3.14Å; D30-A33 VanDerWaalsContact O-N 3.13Å |
| 31 | D | 35.8 | Very low | 30.4 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -59 | -19.3 | 179.8 | -82.8 | -43.3 | 0 | 0 | 0 | 112.7 | V29 A33 | V29-D31 PolarHBondContact O-N 3.32Å; D31-A33 VanDerWaalsContact C-N 3.3Å; D31-A33 PolarHBondContact O-N 2.95Å |
| 32 | D | 34.2 | Very low | 30 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 64% | 0.642 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -77.4 | -7.7 | 179.7 | -66.9 | -38.3 | 0 | 0 | 0 | 114.3 | D30 W34 Q288 | D30-D32 PolarHBondContact O-N 2.96Å; D32-W34 VanDerWaalsContact C-N 3.27Å; D32-W34 PolarHBondContact O-N 3.47Å; D32-Q288 PolarHBondContact OD1-NE2 2.93Å; D32-Q288 PolarHBondContact OD2-NE2 3.09Å |
| 33 | A | 35.5 | Very low | 29.8 | Very low | 80 Ų | 80 | 134.8 Ų | 134.8 | 66% | 0.661 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -72.7 | -18 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D30 D31 G35 | D30-A33 PolarHBondContact O-N 3.14Å; D30-A33 VanDerWaalsContact O-N 3.13Å; D31-A33 VanDerWaalsContact C-N 3.3Å; D31-A33 PolarHBondContact O-N 2.95Å; A33-G35 PolarHBondContact O-N 2.93Å |
| 34 | W | 32.9 | Very low | 29.7 | Very low | 185 Ų | 185 | 133.2 Ų | 133.2 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | | | trans | -95.2 | 78.8 | -178 | -68.7 | 85.6 | 0 | 0 | 0 | 111.8 | D32 L38 | D32-W34 VanDerWaalsContact C-N 3.27Å; D32-W34 PolarHBondContact O-N 3.47Å; W34-L38 HydrophobicContact CE3-CD1 3.9Å; W34-L38 HydrophobicContact CZ3-CD1 4.1Å |
| 35 | G | 28.7 | Very low | 29.6 | Very low | 43 Ų | 43 | 133.7 Ų | 133.7 | 44% | 0.443 | 74% | 0.736 | S | S | . | * | | | trans | -57 | 180 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114 | A33 Y37 | A33-G35 PolarHBondContact O-N 2.93Å; G35-Y37 PolarHBondContact O-N 3.3Å |
| 36 | P | 29.4 | Very low | 29.5 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -73 | 26.5 | -156.9 | 30.9 | -38.5 | 0 | 0 | 0 | 117 | | |
| 37 | Y | 27.2 | Very low | 29.5 | Very low | 208 Ų | 208 | 130.5 Ų | 130.5 | 82% | 0.816 | 73% | 0.725 | S | S | * | * | | | trans | -89.6 | 2.7 | -171.7 | -72.7 | -79.9 | 0 | 0 | 0 | 115.6 | G35 | G35-Y37 PolarHBondContact O-N 3.3Š|
| 38 | L | 29.2 | Very low | 29.2 | Very low | 133 Ų | 133 | 131.3 Ų | 131.3 | 70% | 0.696 | 72% | 0.724 | S | S | * | * | | | trans | -109.2 | 61 | 174.1 | -76.8 | 168.3 | 0 | 0 | 0 | 113 | W34 | W34-L38 HydrophobicContact CE3-CD1 3.9Å; W34-L38 HydrophobicContact CZ3-CD1 4.1Å |
| 39 | R | 25.9 | Very low | 29 | Very low | 237 Ų | 237 | 131.4 Ų | 131.4 | 89% | 0.894 | 72% | 0.724 | S | S | * | * | | | trans | -134 | 67.3 | 159.6 | -76.5 | -167.9 | 178.4 | -179.7 | 2.5 | 111.5 | P41 | R39-P41 WeakPolarHBondContact O-CD 3.35Š|
| 40 | T | 28.3 | Very low | 28.7 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 74% | 0.736 | 73% | 0.726 | S | S | * | * | | | trans | -88 | 116 | 164.8 | 38 | 0 | 0 | 0 | 0 | 110.1 | M42 | T40-M42 VanDerWaalsContact C-N 3.32Å; T40-M42 PolarHBondContact O-N 3.36Å |
| 41 | P | 27.3 | Very low | 28.5 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | | | trans | -89.2 | 54.2 | -170.6 | 36.9 | -37.3 | 0 | 0 | 0 | 112.6 | R39 | R39-P41 WeakPolarHBondContact O-CD 3.35Š|
| 42 | M | 24.2 | Very low | 28.2 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 55% | 0.547 | 74% | 0.741 | S | S | . | * | S | Bend | trans | -161.9 | 114.9 | 170.5 | -96.7 | -152.5 | -63.2 | 0 | 0 | 114.5 | T40 R452 | T40-M42 VanDerWaalsContact C-N 3.32Å; T40-M42 PolarHBondContact O-N 3.36Å; M42-R452 HydrophobicContact CE-CB 4.13Å; M42-R452 HydrophobicContact CE-CG 4.24Å; M42-R452 HydrophobicContact SD-CB 4.49Å; M42-R452 HydrophobicContact SD-CG 4.43Å |
| 43 | G | 27.8 | Very low | 27.9 | Very low | 68 Ų | 68 | 136.2 Ų | 136.2 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | | | trans | 89.2 | 128.4 | 151.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 44 | E | 28.1 | Very low | 27.5 | Very low | 156 Ų | 156 | 142.3 Ų | 142.3 | 73% | 0.729 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 132.6 | 158.3 | -63.7 | 162.3 | 147.9 | 0 | 0 | 109 | N167 | E44-N167 PolarHBondContact OE1-ND2 2.96Š|
| 45 | L | 26.6 | Very low | 27.2 | Very low | 161 Ų | 161 | 140.4 Ų | 140.4 | 84% | 0.843 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 138.4 | 156.5 | -87 | 164 | 0 | 0 | 0 | 107 | L47 | L45-L47 PolarHBondContact O-N 3.04Š|
| 46 | P | 26.9 | Very low | 27 | Very low | 107 Ų | 107 | 144.9 Ų | 144.9 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 134.4 | 174 | 29.8 | -32.7 | 0 | 0 | 0 | 108.1 | C48 | P46-C48 PolarHBondContact O-N 3.48Å; P46-C48 VanDerWaalsContact O-N 3.08Å |
| 47 | L | 28.4 | Very low | 26.8 | Very low | 165 Ų | 165 | 148.3 Ų | 148.3 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | | | trans | -63.9 | 112.7 | 163.6 | -81.3 | 163.5 | 0 | 0 | 0 | 107.3 | L45 V49 | L45-L47 PolarHBondContact O-N 3.04Å; L47-V49 PolarHBondContact O-N 2.95Å |
| 48 | C | 24.5 | Very low | 26.6 | Very low | 105 Ų | 105 | 146.7 Ų | 146.7 | 71% | 0.709 | 77% | 0.765 | S | S | * | * | | | trans | -56.5 | 109.1 | 161.6 | -67.2 | 0 | 0 | 0 | 0 | 107.2 | P46 D50 | P46-C48 PolarHBondContact O-N 3.48Å; P46-C48 VanDerWaalsContact O-N 3.08Å; C48-D50 PolarHBondContact O-N 3.06Å |
| 49 | V | 26.3 | Very low | 26.4 | Very low | 135 Ų | 135 | 147.8 Ų | 147.8 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | -80.4 | 97.4 | 161.3 | -179.5 | 0 | 0 | 0 | 0 | 104.5 | L47 | L47-V49 PolarHBondContact O-N 2.95Š|
| 50 | D | 26 | Very low | 26.4 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 68% | 0.684 | 76% | 0.763 | S | S | * | * | | | trans | -65.1 | 149.4 | 171.3 | -75.7 | -37.8 | 0 | 0 | 0 | 110.1 | C48 I52 | C48-D50 PolarHBondContact O-N 3.06Å; D50-I52 PolarHBondContact O-N 3.35Å |
| 51 | D | 25 | Very low | 26.2 | Very low | 169 Ų | 169 | 139.9 Ų | 139.9 | 90% | 0.904 | 77% | 0.768 | S | S | * | * | | | trans | -64.7 | 88.7 | -176.6 | -68.9 | -62.6 | 0 | 0 | 0 | 112 | E53 | D51-E53 PolarHBondContact O-N 3.04Š|
| 52 | I | 31.1 | Very low | 26 | Very low | 163 Ų | 163 | 137.1 Ų | 137.1 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | | | trans | -82.1 | 107.7 | 168 | -59.9 | 176 | 0 | 0 | 0 | 108.8 | D50 | D50-I52 PolarHBondContact O-N 3.35Š|
| 53 | E | 27.6 | Very low | 26.1 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 63% | 0.626 | 78% | 0.78 | S | S | * | * | | | trans | -8.8 | 119.5 | 172 | -61.6 | -178.2 | 127.2 | 0 | 0 | 117.4 | D51 K55 | D51-E53 PolarHBondContact O-N 3.04Å; E53-K55 VanDerWaalsContact CD-NZ 3.25Å; E53-K55 PolarHBondContact O-N 2.99Å; E53-K55 IonicContact OE1-NZ 2.63Å; E53-K55 PolarHBondContact OE1-NZ 3.18Å; E53-K55 WeakPolarHBondContact OE2-CE 3.43Å; E53-K55 IonicContact OE2-NZ 3.63Å; E53-K55 PolarHBondContact OE2-NZ 2.82Å |
| 54 | Q | 25.8 | Very low | 26.1 | Very low | 207 Ų | 207 | 142.5 Ų | 142.5 | 97% | 0.967 | 78% | 0.783 | S | S | * | * | | | trans | -60 | 102 | 150.5 | -71.2 | -178.5 | -58.5 | 0 | 0 | 109.3 | | |
| 55 | K | 26.9 | Very low | 25.9 | Very low | 146 Ų | 146 | 140 Ų | 140 | 64% | 0.635 | 78% | 0.782 | S | S | * | * | | | trans | -110.8 | 128.8 | 160.1 | -86.8 | 170.7 | 178 | 148.7 | 0 | 109.4 | E53 F57 | E53-K55 VanDerWaalsContact CD-NZ 3.25Å; E53-K55 PolarHBondContact O-N 2.99Å; E53-K55 IonicContact OE1-NZ 2.63Å; E53-K55 PolarHBondContact OE1-NZ 3.18Å; E53-K55 WeakPolarHBondContact OE2-CE 3.43Å; E53-K55 IonicContact OE2-NZ 3.63Å; E53-K55 PolarHBondContact OE2-NZ 2.82Å; K55-F57 PolarHBondContact O-N 3.17Å; K55-F57 VanDerWaalsContact O-N 3.11Å |
| 56 | D | 24.1 | Very low | 26 | Very low | 136 Ų | 136 | 138.7 Ų | 138.7 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | -58.5 | 109.1 | -172.5 | -68.5 | -72.1 | 0 | 0 | 0 | 113.2 | F58 | D56-F58 HydrophobicContact CB-CD2 4.24Š|
| 57 | F | 24.8 | Very low | 26 | Very low | 198 Ų | 198 | 140.1 Ų | 140.1 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | | | trans | -107.4 | 72.5 | 152.4 | -90.8 | -80.8 | 0 | 0 | 0 | 110.1 | K55 I59 | K55-F57 PolarHBondContact O-N 3.17Å; K55-F57 VanDerWaalsContact O-N 3.11Å; F57-I59 PolarHBondContact O-N 3.34Å; F57-I59 VanDerWaalsContact O-N 3.09Å |
| 58 | F | 23.6 | Very low | 25.8 | Very low | 174 Ų | 174 | 137.6 Ų | 137.6 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | | | trans | -65.8 | 100.7 | 158.8 | -89.2 | -91 | 0 | 0 | 0 | 109.6 | D56 | D56-F58 HydrophobicContact CB-CD2 4.24Š|
| 59 | I | 26.2 | Very low | 26 | Very low | 156 Ų | 156 | 138.6 Ų | 138.6 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | | | trans | -117.3 | 106 | 143.8 | -61.4 | -176.1 | 0 | 0 | 0 | 107.3 | F57 | F57-I59 PolarHBondContact O-N 3.34Å; F57-I59 VanDerWaalsContact O-N 3.09Å |
| 60 | A | 24.2 | Very low | 26.1 | Very low | 90 Ų | 90 | 138.8 Ų | 138.8 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | | | trans | -75.4 | 130.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 61 | A | 24.5 | Very low | 26.1 | Very low | 101 Ų | 101 | 140.5 Ų | 140.5 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | | | trans | -157.4 | 63.4 | 155.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 62 | G | 24 | Very low | 26.2 | Very low | 69 Ų | 69 | 139.3 Ų | 139.3 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | | | trans | 53.4 | 110.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 63 | L | 26.4 | Very low | 26.3 | Very low | 176 Ų | 176 | 140.1 Ų | 140.1 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | | | | -164.7 | 151.4 | 100.2 | -93.1 | 166.6 | 0 | 0 | 0 | 109.4 | | |
| 64 | P | 26.8 | Very low | 26.2 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | | | trans | -88.6 | 153.4 | -156.8 | 33.9 | -36.9 | 0 | 0 | 0 | 115.3 | | |
| 65 | S | 24.9 | Very low | 26.3 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | | | trans | -62.9 | 149.3 | 173.5 | -44.3 | 0 | 0 | 0 | 0 | 113 | T67 | S65-T67 PolarHBondContact O-N 3.37Å; S65-T67 VanDerWaalsContact O-N 3.13Å |
| 66 | P | 27.8 | Very low | 26.5 | Very low | 134 Ų | 134 | 136 Ų | 136 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | | | trans | -82.3 | 91.3 | -180 | 33.1 | -34.2 | 0 | 0 | 0 | 111.9 | | |
| 67 | T | 28.1 | Very low | 26.8 | Very low | 137 Ų | 137 | 135.4 Ų | 135.4 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -83 | 143 | 161.9 | 33.9 | 0 | 0 | 0 | 0 | 112.1 | S65 | S65-T67 PolarHBondContact O-N 3.37Å; S65-T67 VanDerWaalsContact O-N 3.13Å |
| 68 | S | 23.5 | Very low | 27 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -60 | 162.2 | -177.4 | -55.2 | 0 | 0 | 0 | 0 | 114.5 | | |
| 69 | P | 29.3 | Very low | 27.2 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 126.1 | -159.7 | 33 | -33.8 | 0 | 0 | 0 | 113.6 | | |
| 70 | V | 27.4 | Very low | 27.4 | Very low | 139 Ų | 139 | 128.2 Ų | 128.2 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | | | trans | -137 | 139.1 | 161 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 71 | Q | 26.4 | Very low | 27.5 | Very low | 164 Ų | 164 | 130.8 Ų | 130.8 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | | | trans | -55.1 | 162.9 | -172 | -69.6 | 155.9 | -55 | 0 | 0 | 118.6 | | |
| 72 | E | 26.7 | Very low | 27.5 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | | | trans | 64.1 | 118.9 | 149.5 | -77 | 179.4 | -148.9 | 0 | 0 | 118.3 | | |
| 73 | K | 32.9 | Very low | 27.5 | Very low | 179 Ų | 179 | 131.7 Ų | 131.7 | 78% | 0.778 | 80% | 0.803 | S | S | * | * | | | cis | -167.6 | 171.7 | 49.9 | -113.5 | 146.2 | 178.4 | 134.8 | 0 | 112.6 | | |
| 74 | Q | 26.3 | Very low | 27.5 | Very low | 187 Ų | 187 | 129.1 Ų | 129.1 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | trans | -69.8 | 171.1 | 177.2 | -54.2 | 161.2 | -52.4 | 0 | 0 | 111.2 | | |
| 75 | S | 28.4 | Very low | 27.5 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | | | cis | -166.9 | 165.2 | 27.2 | 50.3 | 0 | 0 | 0 | 0 | 114 | | |
| 76 | S | 29.5 | Very low | 27.5 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | 64.5 | 141.4 | 159.2 | 52.2 | 0 | 0 | 0 | 0 | 118.8 | | |
| 77 | S | 30.5 | Very low | 27.4 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | | | cis | -158.7 | 159 | 8.9 | 48.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 78 | G | 30.6 | Very low | 27.4 | Very low | 76 Ų | 76 | 132.3 Ų | 132.3 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | | | trans | 102.1 | 92.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 79 | E | 26.7 | Very low | 27.5 | Very low | 201 Ų | 201 | 136.4 Ų | 136.4 | 94% | 0.939 | 80% | 0.797 | S | S | * | * | | | cis | 73.7 | 84.7 | 47.8 | -160.5 | 174.6 | -144 | 0 | 0 | 114.5 | | |
| 80 | A | 29.9 | Very low | 27.4 | Very low | 101 Ų | 101 | 137.8 Ų | 137.8 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | -168.2 | 133.3 | 134.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 81 | V | 27.1 | Very low | 27.4 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | | | trans | -114.4 | 131.8 | -174.6 | 167.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 82 | A | 23.6 | Very low | 27.4 | Very low | 81 Ų | 81 | 133.4 Ų | 133.4 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | | | trans | 26.5 | 148.5 | 150.5 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 83 | S | 24 | Very low | 27.4 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | | | trans | 99.4 | 168.4 | 136.9 | 83.2 | 0 | 0 | 0 | 0 | 119.6 | | |
| 84 | V | 27.6 | Very low | 27.3 | Very low | 122 Ų | 122 | 131.1 Ų | 131.1 | 74% | 0.739 | 81% | 0.81 | S | S | * | * | | | trans | 77.7 | 99.3 | -176.5 | -167.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 85 | L | 25.9 | Very low | 27.5 | Very low | 143 Ų | 143 | 130.2 Ų | 130.2 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | | | | 87.3 | 147 | 59.8 | -93.2 | 86.8 | 0 | 0 | 0 | 115.1 | | |
| 86 | D | 24.8 | Very low | 27.4 | Very low | 152 Ų | 152 | 133.2 Ų | 133.2 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | | | trans | -0.3 | 138.9 | 154.1 | -63.8 | -55.2 | 0 | 0 | 0 | 119.6 | | |
| 87 | G | 26.1 | Very low | 27.4 | Very low | 71 Ų | 71 | 135.6 Ų | 135.6 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | | | trans | 132.5 | 55.6 | 154.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | R89 | G87-R89 PolarHBondContact O-N 3.48Š|
| 88 | L | 28.1 | Very low | 27.1 | Very low | 191 Ų | 191 | 137.8 Ų | 137.8 | 100% | 1 | 81% | 0.808 | S | S | * | * | | | trans | -75.4 | 83.6 | 158.2 | -91.5 | 173.7 | 0 | 0 | 0 | 109.8 | | |
| 89 | R | 25.6 | Very low | 26.9 | Very low | 198 Ų | 198 | 140.7 Ų | 140.7 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | | | trans | -132.1 | 125.6 | 165.7 | -176.1 | 172.3 | 176.8 | 174.3 | -2.3 | 109.2 | G87 | G87-R89 PolarHBondContact O-N 3.48Š|
| 90 | E | 26.7 | Very low | 26.8 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 74.2 | 154.8 | 165.2 | -73.3 | 155.2 | -159.1 | 0 | 0 | 119.4 | | |
| 91 | A | 29.1 | Very low | 26.5 | Very low | 99 Ų | 99 | 137.9 Ų | 137.9 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | 66.7 | 75 | 169.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 92 | A | 26.4 | Very low | 26.4 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | | | trans | -99.9 | 102.4 | 141.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 93 | D | 26.1 | Very low | 26.3 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | | | trans | -143.6 | 153.5 | 174.9 | -138.8 | -20.6 | 0 | 0 | 0 | 110.1 | | |
| 94 | S | 30.2 | Very low | 26.3 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | | | trans | 73.1 | 159.2 | -176.5 | 82.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 95 | K | 31.1 | Very low | 26 | Very low | 169 Ų | 169 | 145.1 Ų | 145.1 | 74% | 0.735 | 81% | 0.812 | S | S | * | * | | | trans | -123.8 | 163.6 | -154.1 | -70 | 177.3 | 165.7 | -167 | 0 | 113.5 | | |
| 96 | E | 26.9 | Very low | 25.9 | Very low | 163 Ų | 163 | 143.3 Ų | 143.3 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | | | trans | 50 | 104 | 141.4 | -70.3 | 158 | -157.1 | 0 | 0 | 118.4 | | |
| 97 | N | 28.6 | Very low | 25.8 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | | | | -151.4 | 156.3 | 119.5 | -135.1 | -28 | 0 | 0 | 0 | 113.7 | | |
| 98 | M | 23.4 | Very low | 25.6 | Very low | 168 Ų | 168 | 142 Ų | 142 | 83% | 0.828 | 82% | 0.815 | S | S | * | * | | | trans | -70.7 | 164.6 | -179.7 | -61.9 | 175.4 | 141.9 | 0 | 0 | 111 | | |
| 99 | V | 27.7 | Very low | 25.4 | Very low | 138 Ų | 138 | 140.9 Ų | 140.9 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | | | | -153.7 | 152.5 | 68.1 | 169.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 100 | S | 23.4 | Very low | 25.2 | Very low | 89 Ų | 89 | 143.1 Ų | 143.1 | 62% | 0.622 | 82% | 0.816 | S | S | * | * | | | trans | -69.1 | 149.5 | -175.9 | 51.3 | 0 | 0 | 0 | 0 | 117.1 | | |
| 101 | N | 24.2 | Very low | 25 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | | | | 173.2 | 89.1 | 114.5 | -89.2 | -11.8 | 0 | 0 | 0 | 113.6 | | |
| 102 | V | 24.9 | Very low | 24.6 | Very low | 149 Ų | 149 | 142.3 Ų | 142.3 | 90% | 0.903 | 82% | 0.822 | S | S | * | * | | | trans | -156.3 | 101.2 | 135.1 | -177.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 103 | Q | 21.7 | Very low | 24.4 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | | | trans | -146.1 | 113.9 | 164.7 | -89.3 | -164.9 | -7.3 | 0 | 0 | 110.8 | | |
| 104 | L | 23.3 | Very low | 24.2 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | | | trans | -142 | 101.7 | 145.2 | -71 | 177.8 | 0 | 0 | 0 | 104.3 | | |
| 105 | S | 22.7 | Very low | 23.8 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | | | | 69.7 | 124.4 | 88 | -60.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 106 | A | 23.6 | Very low | 23.4 | Very low | 104 Ų | 104 | 143.8 Ų | 143.8 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | | | cis | -151.4 | 178.3 | 13.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 107 | A | 22.9 | Very low | 23.2 | Very low | 87 Ų | 87 | 147 Ų | 147 | 72% | 0.719 | 82% | 0.821 | S | S | * | * | | | cis | -147.5 | 133.8 | -1 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 108 | S | 21 | Very low | 22.9 | Very low | 109 Ų | 109 | 145.2 Ų | 145.2 | 76% | 0.762 | 82% | 0.821 | S | S | * | * | | | | 52.9 | 89.7 | 80.5 | 178.3 | 0 | 0 | 0 | 0 | 116.6 | | |
| 109 | I | 24.3 | Very low | 22.9 | Very low | 168 Ų | 168 | 144.8 Ų | 144.8 | 86% | 0.862 | 82% | 0.82 | S | S | * | * | | | | -136.4 | 140.2 | 129.8 | -64.3 | -169.7 | 0 | 0 | 0 | 108.7 | | |
| 110 | R | 21.9 | Very low | 22.6 | Very low | 244 Ų | 244 | 142.9 Ų | 142.9 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | | | trans | -80.1 | 145.7 | -179.4 | -61.1 | 171.9 | -179.2 | 176.4 | -1.2 | 111.6 | | |
| 111 | G | 22 | Very low | 22.7 | Very low | 81 Ų | 81 | 143.9 Ų | 143.9 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | | | trans | -158.4 | 65.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | M113 | G111-M113 PolarHBondContact O-N 3.37Š|
| 112 | N | 20.2 | Very low | 22.7 | Very low | 156 Ų | 156 | 143 Ų | 143 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | | | trans | -87.3 | 104.5 | -176.2 | -161.3 | 30.6 | 0 | 0 | 0 | 110.2 | | |
| 113 | M | 22.2 | Very low | 22.8 | Very low | 180 Ų | 180 | 141.2 Ų | 141.2 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | | | trans | -168.1 | 124.4 | 156.2 | -116.3 | 175 | -82 | 0 | 0 | 113.5 | G111 | G111-M113 PolarHBondContact O-N 3.37Š|
| 114 | A | 21.5 | Very low | 22.9 | Very low | 87 Ų | 87 | 140.8 Ų | 140.8 | 72% | 0.719 | 79% | 0.793 | S | S | * | * | | | trans | 54.9 | 116.2 | 151.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 115 | D | 21.8 | Very low | 23.1 | Very low | 142 Ų | 142 | 138.5 Ų | 138.5 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | | | trans | 26.5 | 107 | 135.4 | -59.1 | -42.1 | 0 | 0 | 0 | 119.4 | | |
| 116 | H | 23.3 | Very low | 23.3 | Very low | 178 Ų | 178 | 141.4 Ų | 141.4 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | | 175.3 | 133.8 | 110.5 | -87.8 | -50.6 | 0 | 0 | 0 | 112.8 | | |
| 117 | R | 22.8 | Very low | 23.4 | Very low | 231 Ų | 231 | 139.3 Ų | 139.3 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | | | trans | 48.1 | 95.4 | 158.4 | -66.4 | -177.2 | 175.6 | 177.1 | -0.9 | 117.3 | I119 | R117-I119 PolarHBondContact O-N 2.99Š|
| 118 | S | 21.7 | Very low | 23.6 | Very low | 126 Ų | 126 | 142.2 Ų | 142.2 | 88% | 0.881 | 79% | 0.791 | S | S | * | * | | | trans | -59.9 | 97.6 | 161.7 | 42.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 119 | I | 23.3 | Very low | 23.7 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | | | trans | -87.6 | 101 | 155.2 | -60.8 | 175.7 | 0 | 0 | 0 | 106.2 | R117 S121 | R117-I119 PolarHBondContact O-N 2.99Å; I119-S121 PolarHBondContact O-N 3.26Å |
| 120 | S | 22.9 | Very low | 23.8 | Very low | 98 Ų | 98 | 146.5 Ų | 146.5 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | | | trans | -62.2 | 127.2 | 172.5 | 37.8 | 0 | 0 | 0 | 0 | 109.8 | I122 | S120-I122 PolarHBondContact O-N 3.08Š|
| 121 | S | 23.7 | Very low | 23.8 | Very low | 111 Ų | 111 | 141 Ų | 141 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | -68.6 | 115.6 | -177 | 51.2 | 0 | 0 | 0 | 0 | 111.3 | I119 F123 | I119-S121 PolarHBondContact O-N 3.26Å; S121-F123 VanDerWaalsContact C-N 3.3Å; S121-F123 PolarHBondContact O-N 3.44Å |
| 122 | I | 25.3 | Very low | 23.9 | Very low | 134 Ų | 134 | 142.8 Ų | 142.8 | 69% | 0.687 | 78% | 0.783 | S | S | * | * | | | trans | -83.9 | -2.2 | -178.4 | -69.2 | 171.6 | 0 | 0 | 0 | 112.7 | S120 | S120-I122 PolarHBondContact O-N 3.08Š|
| 123 | F | 26.1 | Very low | 24 | Very low | 112 Ų | 112 | 140 Ų | 140 | 49% | 0.491 | 78% | 0.782 | S | S | . | * | | | trans | -131.1 | 87.3 | -170.3 | -63.3 | -63.9 | 0 | 0 | 0 | 113.9 | S121 Y148 | S121-F123 VanDerWaalsContact C-N 3.3Å; S121-F123 PolarHBondContact O-N 3.44Å; F123-Y148 HydrophobicContact CE1-CD1 4.48Å; F123-Y148 AromaticContact CE1-CE1 3.65Å; F123-Y148 HydrophobicContact CE1-CE1 3.65Å; F123-Y148 HydrophobicContact CZ-CD1 4.49Å; F123-Y148 AromaticContact CZ-CE1 3.88Å; F123-Y148 HydrophobicContact CZ-CE1 3.88Å |
| 124 | E | 24.5 | Very low | 24.3 | Very low | 176 Ų | 176 | 134.8 Ų | 134.8 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | | | trans | -81.5 | 138.6 | 140.2 | -74.9 | -174.6 | 136.4 | 0 | 0 | 108.8 | | |
| 125 | P | 27.2 | Very low | 24.5 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | | | trans | -71.6 | 133.5 | 168.2 | 30.7 | -31.6 | 0 | 0 | 0 | 109.2 | G127 | P125-G127 PolarHBondContact O-N 2.98Š|
| 126 | L | 26.9 | Very low | 24.8 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | | | trans | -69.2 | 92.8 | 171.5 | -76 | 161 | 0 | 0 | 0 | 109.1 | | |
| 127 | G | 25.5 | Very low | 25.3 | Very low | 60 Ų | 60 | 129.8 Ų | 129.8 | 62% | 0.619 | 74% | 0.743 | S | S | * | * | | | trans | -67.9 | 148.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110 | P125 D129 | P125-G127 PolarHBondContact O-N 2.98Å; G127-D129 PolarHBondContact O-N 2.87Å |
| 128 | T | 27 | Very low | 25.8 | Very low | 148 Ų | 148 | 128.2 Ų | 128.2 | 91% | 0.908 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -75 | 12.3 | -173.1 | 39.3 | 0 | 0 | 0 | 0 | 115.1 | | |
| 129 | D | 24.6 | Very low | 26.3 | Very low | 140 Ų | 140 | 128.2 Ų | 128.2 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -132.3 | 136.5 | -179.2 | -93.3 | -52.8 | 0 | 0 | 0 | 112.6 | G127 | G127-D129 PolarHBondContact O-N 2.87Š|
| 130 | R | 24.9 | Very low | 26.9 | Very low | 226 Ų | 226 | 122.2 Ų | 122.2 | 85% | 0.853 | 70% | 0.704 | S | S | * | * | | | trans | 86.3 | 122 | 172.4 | -55.9 | 174.5 | -179.6 | -176.1 | -1.4 | 117.3 | V132 | R130-V132 VanDerWaalsContact C-N 3.33Å; R130-V132 PolarHBondContact O-N 3.28Å |
| 131 | S | 23.4 | Very low | 27.5 | Very low | 129 Ų | 129 | 122.8 Ų | 122.8 | 90% | 0.902 | 70% | 0.703 | S | S | * | * | | | trans | -60.6 | 83.8 | 164 | 54.7 | 0 | 0 | 0 | 0 | 112 | | |
| 132 | V | 24 | Very low | 28.2 | Very low | 118 Ų | 118 | 122.3 Ų | 122.3 | 72% | 0.715 | 69% | 0.692 | S | S | * | * | | | trans | -97.6 | 114.6 | 161.8 | -178.4 | 0 | 0 | 0 | 0 | 107.4 | R130 A134 | R130-V132 VanDerWaalsContact C-N 3.33Å; R130-V132 PolarHBondContact O-N 3.28Å; V132-A134 VanDerWaalsContact C-N 3.29Å; V132-A134 PolarHBondContact O-N 3.41Å |
| 133 | A | 22.8 | Very low | 28.7 | Very low | 99 Ų | 99 | 116.6 Ų | 116.6 | 82% | 0.818 | 66% | 0.663 | S | S | * | * | | | trans | -65.8 | 91 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 134 | A | 28.1 | Very low | 29.2 | Very low | 69 Ų | 69 | 115.5 Ų | 115.5 | 57% | 0.57 | 67% | 0.668 | S | S | * | * | | | trans | -56.1 | 131.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109 | V132 L136 | V132-A134 VanDerWaalsContact C-N 3.29Å; V132-A134 PolarHBondContact O-N 3.41Å; A134-L136 PolarHBondContact O-N 3.3Å; A134-L136 VanDerWaalsContact O-N 3.14Å |
| 135 | P | 25.4 | Very low | 30 | Very low | 122 Ų | 122 | 109.7 Ų | 109.7 | 79% | 0.792 | 65% | 0.645 | S | S | * | * | | | trans | -57.2 | 125.4 | 177.4 | 23.4 | -32.6 | 0 | 0 | 0 | 108.8 | P137 | P135-P137 WeakPolarHBondContact O-CD 3.45Š|
| 136 | L | 28 | Very low | 30.6 | Very low | 130 Ų | 130 | 104.4 Ų | 104.4 | 68% | 0.681 | 61% | 0.61 | S | S | * | * | | | trans | -46.9 | 112.3 | 179.8 | -88.7 | 151.1 | 0 | 0 | 0 | 109.2 | A134 K138 | A134-L136 PolarHBondContact O-N 3.3Å; A134-L136 VanDerWaalsContact O-N 3.14Å; L136-K138 PolarHBondContact O-N 2.92Å |
| 137 | P | 33.1 | Very low | 31.3 | Very low | 51 Ų | 51 | 96.8 Ų | 96.8 | 33% | 0.331 | 57% | 0.572 | S | S | . | * | | | trans | -66.3 | 131.2 | -176.4 | 25.5 | -32 | 0 | 0 | 0 | 108.7 | P135 V140 K181 | P135-P137 WeakPolarHBondContact O-CD 3.45Å; P137-V140 HydrophobicContact CB-CG2 4.08Å; P137-V140 HydrophobicContact CG-CG2 4.4Å; P137-K181 HydrophobicContact CG-CD 3.81Å |
| 138 | K | 33.8 | Very low | 32.2 | Very low | 198 Ų | 198 | 97 Ų | 97 | 86% | 0.861 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -51.1 | 143.6 | 170.1 | -69.3 | -178.7 | 175.1 | -178 | 0 | 109.6 | L136 V140 | L136-K138 PolarHBondContact O-N 2.92Å; K138-V140 PolarHBondContact O-N 3.19Å |
| 139 | D | 31.5 | Very low | 33 | Very low | 125 Ų | 125 | 92.2 Ų | 92.2 | 67% | 0.668 | 52% | 0.523 | S | S | * | . | | | trans | -38.2 | 103 | -166.7 | -59 | -57.3 | 0 | 0 | 0 | 113.7 | T141 | D139-T141 VanDerWaalsContact C-N 3.29Å; D139-T141 HydrophobicContact CB-CG2 4.21Å; D139-T141 PolarHBondContact O-N 3.43Å; D139-T141 PolarHBondContact O-OG1 3.46Å |
| 140 | V | 36.7 | Very low | 33.9 | Very low | 34 Ų | 34 | 85.6 Ų | 85.6 | 21% | 0.206 | 49% | 0.487 | C | S | . | . | | | trans | -75.6 | 87.3 | -179 | -174.1 | 0 | 0 | 0 | 0 | 108.2 | P137 K138 T145 V146 | P137-V140 HydrophobicContact CB-CG2 4.08Å; P137-V140 HydrophobicContact CG-CG2 4.4Å; K138-V140 PolarHBondContact O-N 3.19Å; V140-T145 VanDerWaalsContact CG1-OG1 3.29Å; V140-T145 WeakPolarHBondContact CG1-OG1 3.5Å; V140-V146 HydrophobicContact CG1-CG2 4.38Å |
| 141 | T | 36.2 | Very low | 34.8 | Very low | 110 Ų | 110 | 77.3 Ų | 77.3 | 68% | 0.675 | 46% | 0.46 | S | S | * | . | | | trans | -97.2 | -4.2 | -175.2 | 43.1 | 0 | 0 | 0 | 0 | 113.5 | D139 | D139-T141 VanDerWaalsContact C-N 3.29Å; D139-T141 HydrophobicContact CB-CG2 4.21Å; D139-T141 PolarHBondContact O-N 3.43Å; D139-T141 PolarHBondContact O-OG1 3.46Å |
| 142 | D | 37.8 | Very low | 35.8 | Very low | 101 Ų | 101 | 77 Ų | 77 | 54% | 0.54 | 44% | 0.439 | S | S | . | . | | | trans | -84.8 | 115.9 | -176.5 | -136.8 | -17.9 | 0 | 0 | 0 | 110.8 | C144 T145 V146 | D142-C144 PolarHBondContact O-N 2.84Å; D142-T145 PolarHBondContact O-N 3.09Å; D142-T145 PolarHBondContact O-OG1 2.88Å; D142-V146 PolarHBondContact O-N 2.96Å |
| 143 | D | 34.7 | Very low | 36.8 | Very low | 13 Ų | 13 | 74.3 Ų | 74.3 | 7% | 0.07 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -52.6 | -32.4 | -175 | -69.8 | -53.2 | 0 | 0 | 0 | 111.9 | C147 C190 R197 | D143-C147 WeakPolarHBondContact O-CB 3.17Å; D143-C147 PolarHBondContact O-N 3.4Å; D143-C147 PolarHBondContact O-SG 3.38Å; D143-C190 WeakPolarHBondContact CA-SG 3.22Å; D143-C190 PolarHBondContact O-SG 3.35Å; D143-R197 IonicContact OD2-CZ 3.77Å; D143-R197 IonicContact OD2-NH1 3.4Å; D143-R197 PolarHBondContact OD2-NH1 3.04Å |
| 144 | C | 36.7 | Very low | 37.8 | Very low | 90 Ų | 90 | 70.8 Ų | 70.8 | 61% | 0.608 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -68.6 | -39.9 | -179.4 | -66.8 | 0 | 0 | 0 | 0 | 113.7 | D142 Y148 | D142-C144 PolarHBondContact O-N 2.84Å; C144-Y148 WeakPolarHBondContact O-CB 3.32Å; C144-Y148 PolarHBondContact O-N 3.45Å |
| 145 | T | 41.1 | Very low | 38.4 | Very low | 54 Ų | 54 | 68.7 Ų | 68.7 | 33% | 0.331 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -76.2 | -33.2 | 177.5 | 32 | 0 | 0 | 0 | 0 | 111.6 | V140 D142 Y148 L149 | V140-T145 VanDerWaalsContact CG1-OG1 3.29Å; V140-T145 WeakPolarHBondContact CG1-OG1 3.5Å; D142-T145 PolarHBondContact O-N 3.09Å; D142-T145 PolarHBondContact O-OG1 2.88Å; T145-Y148 PolarHBondContact O-N 3.49Å; T145-L149 WeakPolarHBondContact O-CB 2.93Å; T145-L149 VanDerWaalsContact O-CG 3.28Å; T145-L149 WeakPolarHBondContact O-CG 3.21Å; T145-L149 PolarHBondContact O-N 2.83Å |
| 146 | V | 40.3 | Very low | 38.9 | Very low | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.006 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 172.1 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | V140 D142 L149 A150 M177 C183 C190 | V140-V146 HydrophobicContact CG1-CG2 4.38Å; D142-V146 PolarHBondContact O-N 2.96Å; V146-L149 PolarHBondContact O-N 3.36Å; V146-A150 WeakPolarHBondContact O-CB 3.25Å; V146-A150 PolarHBondContact O-N 3.39Å; V146-M177 HydrophobicContact CB-CE 4.39Å; V146-M177 HydrophobicContact CG1-CE 3.74Å; V146-C183 WeakPolarHBondContact CG2-SG 3.33Å; V146-C190 HydrophobicContact CB-CB 4.39Å; V146-C190 VanDerWaalsContact CB-SG 3.51Å; V146-C190 HydrophobicContact CG1-CB 3.68Å; V146-C190 WeakPolarHBondContact CG1-SG 3.19Å |
| 147 | C | 42.5 | Very low | 39.2 | Very low | 15 Ų | 15 | 66.9 Ų | 66.9 | 10% | 0.101 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 174.3 | -66.6 | 0 | 0 | 0 | 0 | 113 | D143 A150 D151 C190 L191 S194 | D143-C147 WeakPolarHBondContact O-CB 3.17Å; D143-C147 PolarHBondContact O-N 3.4Å; D143-C147 PolarHBondContact O-SG 3.38Å; C147-A150 PolarHBondContact O-N 3.48Å; C147-D151 PolarHBondContact O-N 3.46Å; C147-C190 PolarHBondContact SG-O 3.23Å; C147-C190 VanDerWaalsContact SG-O 3.33Å; C147-C190 PolarHBondContact SG-SG 2.84Å; C147-L191 HydrophobicContact CB-CD2 4.36Å; C147-S194 VanDerWaalsContact SG-CB 3.54Å |
| 148 | Y | 42.9 | Very low | 39 | Very low | 65 Ų | 65 | 71.6 Ų | 71.6 | 26% | 0.255 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.6 | -38.2 | 176.3 | 179.6 | -97.9 | 0 | 0 | 0 | 112.6 | F123 C144 T145 R152 Q244 | F123-Y148 HydrophobicContact CE1-CD1 4.48Å; F123-Y148 AromaticContact CE1-CE1 3.65Å; F123-Y148 HydrophobicContact CE1-CE1 3.65Å; F123-Y148 HydrophobicContact CZ-CD1 4.49Å; F123-Y148 AromaticContact CZ-CE1 3.88Å; F123-Y148 HydrophobicContact CZ-CE1 3.88Å; C144-Y148 WeakPolarHBondContact O-CB 3.32Å; C144-Y148 PolarHBondContact O-N 3.45Å; T145-Y148 PolarHBondContact O-N 3.49Å; Y148-R152 HydrophobicContact CE1-CG 4.41Å; Y148-R152 PolarHBondContact O-N 3.44Å; Y148-R152 PolarHBondContact OH-NE 3.03Å; Y148-R152 PolarHBondContact OH-NH2 3.18Å; Y148-Q244 PolarHBondContact OH-NE2 2.83Å |
| 149 | L | 44.2 | Very low | 38.8 | Very low | 47 Ų | 47 | 65.2 Ų | 65.2 | 25% | 0.246 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68 | -41.4 | 174 | -74.2 | 167 | 0 | 0 | 0 | 111.2 | T145 V146 R152 L153 M177 K181 | T145-L149 WeakPolarHBondContact O-CB 2.93Å; T145-L149 VanDerWaalsContact O-CG 3.28Å; T145-L149 WeakPolarHBondContact O-CG 3.21Å; T145-L149 PolarHBondContact O-N 2.83Å; V146-L149 PolarHBondContact O-N 3.36Å; L149-R152 PolarHBondContact O-N 3.35Å; L149-L153 WeakPolarHBondContact O-CB 3.36Å; L149-L153 VanDerWaalsContact O-CG 3.25Å; L149-L153 WeakPolarHBondContact O-CG 3.45Å; L149-L153 PolarHBondContact O-N 3.48Å; L149-M177 HydrophobicContact CB-CE 3.84Å; L149-M177 HydrophobicContact CD1-CE 4.49Å; L149-K181 HydrophobicContact CD1-CG 4.43Å |
| 150 | A | 44.2 | Very low | 38.8 | Very low | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.7 | -50.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V146 C147 R152 L153 L154 M177 P187 | V146-A150 WeakPolarHBondContact O-CB 3.25Å; V146-A150 PolarHBondContact O-N 3.39Å; C147-A150 PolarHBondContact O-N 3.48Å; A150-R152 PolarHBondContact O-N 2.85Å; A150-L153 PolarHBondContact O-N 3.06Å; A150-L153 VanDerWaalsContact O-N 3.16Å; A150-L154 WeakPolarHBondContact O-CB 3.29Å; A150-L154 WeakPolarHBondContact O-CG 3.38Å; A150-L154 PolarHBondContact O-N 3.22Å; A150-M177 HydrophobicContact CB-SD 4.17Å; A150-P187 HydrophobicContact CB-CB 4.17Å |
| 151 | D | 44 | Very low | 38.4 | Very low | 53 Ų | 53 | 63.9 Ų | 63.9 | 28% | 0.283 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -56.7 | -34.6 | 177.1 | -107.4 | 28.5 | 0 | 0 | 0 | 111.9 | C147 A155 R238 | C147-D151 PolarHBondContact O-N 3.46Å; D151-A155 WeakPolarHBondContact O-CB 3.47Å; D151-A155 PolarHBondContact O-N 2.95Å; D151-R238 IonicContact OD2-NH1 2.93Å; D151-R238 PolarHBondContact OD2-NH1 2.92Å |
| 152 | R | 43.2 | Very low | 38 | Very low | 122 Ų | 122 | 67.8 Ų | 67.8 | 46% | 0.46 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -77.1 | -40.2 | 174.9 | -82.9 | -159.4 | 171.3 | -148.6 | -2.5 | 114.2 | Y148 L149 A150 L154 A155 | Y148-R152 HydrophobicContact CE1-CG 4.41Å; Y148-R152 PolarHBondContact O-N 3.44Å; Y148-R152 PolarHBondContact OH-NE 3.03Å; Y148-R152 PolarHBondContact OH-NH2 3.18Å; L149-R152 PolarHBondContact O-N 3.35Å; A150-R152 PolarHBondContact O-N 2.85Å; R152-L154 PolarHBondContact O-N 3.22Å; R152-A155 CarbonylContact O-C 3.5Å; R152-A155 VanDerWaalsContact O-C 3.22Å; R152-A155 PolarHBondContact O-N 3.13Å; R152-A155 VanDerWaalsContact O-N 3.08Å |
| 153 | L | 45 | Very low | 37.8 | Very low | 62 Ų | 62 | 65.2 Ų | 65.2 | 33% | 0.325 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.4 | -29.5 | 176.8 | -70.7 | 170.1 | 0 | 0 | 0 | 111.9 | L149 A150 A155 Y176 M177 | L149-L153 WeakPolarHBondContact O-CB 3.36Å; L149-L153 VanDerWaalsContact O-CG 3.25Å; L149-L153 WeakPolarHBondContact O-CG 3.45Å; L149-L153 PolarHBondContact O-N 3.48Å; A150-L153 PolarHBondContact O-N 3.06Å; A150-L153 VanDerWaalsContact O-N 3.16Å; L153-A155 VanDerWaalsContact C-N 3.3Å; L153-Y176 HydrophobicContact CD1-CD1 3.97Å; L153-Y176 HydrophobicContact CD1-CE1 4.48Å; L153-Y176 HydrophobicContact CD2-CD1 3.64Å; L153-Y176 HydrophobicContact CD2-CE1 3.39Å; L153-Y176 HydrophobicContact CG-CD1 4.46Å; L153-M177 HydrophobicContact CD1-CG 3.4Å; L153-M177 HydrophobicContact CD1-SD 4.03Å |
| 154 | L | 43.5 | Very low | 37.7 | Very low | 25 Ų | 25 | 76 Ų | 76 | 13% | 0.131 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -10.1 | 173.1 | -65.6 | 176.7 | 0 | 0 | 0 | 113.8 | A150 R152 L168 W170 V173 | A150-L154 WeakPolarHBondContact O-CB 3.29Å; A150-L154 WeakPolarHBondContact O-CG 3.38Å; A150-L154 PolarHBondContact O-N 3.22Å; R152-L154 PolarHBondContact O-N 3.22Å; L154-L168 HydrophobicContact CD1-CD1 4.27Å; L154-L168 HydrophobicContact CD2-CB 4.38Å; L154-L168 HydrophobicContact CD2-CD1 3.6Å; L154-L168 HydrophobicContact CD2-CD2 3.61Å; L154-L168 HydrophobicContact CD2-CG 4.03Å; L154-L168 HydrophobicContact CG-CD1 4.39Å; L154-W170 HydrophobicContact CD1-CH2 3.57Å; L154-W170 HydrophobicContact CD1-CZ3 3.84Å; L154-V173 HydrophobicContact CD2-CG2 3.8Å |
| 155 | A | 40.8 | Very low | 37.3 | Very low | 24 Ų | 24 | 78.6 Ų | 78.6 | 20% | 0.198 | 42% | 0.421 | C | S | . | . | | | trans | -142.5 | 67.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D151 R152 L153 S157 Y158 | D151-A155 WeakPolarHBondContact O-CB 3.47Å; D151-A155 PolarHBondContact O-N 2.95Å; R152-A155 CarbonylContact O-C 3.5Å; R152-A155 VanDerWaalsContact O-C 3.22Å; R152-A155 PolarHBondContact O-N 3.13Å; R152-A155 VanDerWaalsContact O-N 3.08Å; L153-A155 VanDerWaalsContact C-N 3.3Å; A155-S157 PolarHBondContact O-N 3.17Å; A155-Y158 VanDerWaalsContact CB-O 3.24Å; A155-Y158 WeakPolarHBondContact CB-O 3.46Å |
| 156 | P | 37.2 | Very low | 36.9 | Very low | 118 Ų | 118 | 78.5 Ų | 78.5 | 77% | 0.766 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -64.2 | -30 | 165.7 | -18.8 | 32.7 | 0 | 0 | 0 | 112.4 | | |
| 157 | S | 32.8 | Very low | 36.8 | Very low | 97 Ų | 97 | 84.9 Ų | 84.9 | 68% | 0.678 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -141.4 | -3.1 | -170.5 | 49.9 | 0 | 0 | 0 | 0 | 115.4 | A155 | A155-S157 PolarHBondContact O-N 3.17Š|
| 158 | Y | 29.1 | Very low | 36.7 | Very low | 149 Ų | 149 | 86.5 Ų | 86.5 | 58% | 0.584 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -118.5 | 113.4 | -174.1 | -80.5 | -85.2 | 0 | 0 | 0 | 113 | A155 | A155-Y158 VanDerWaalsContact CB-O 3.24Å; A155-Y158 WeakPolarHBondContact CB-O 3.46Å |
| 159 | G | 29.4 | Very low | 36.9 | Very low | 64 Ų | 64 | 88.1 Ų | 88.1 | 66% | 0.66 | 48% | 0.48 | S | S | * | . | | | trans | -50.1 | 139.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G161 | G159-G161 PolarHBondContact O-N 2.91Š|
| 160 | V | 31.5 | Very low | 37.1 | Very low | 59 Ų | 59 | 88.5 Ų | 88.5 | 36% | 0.358 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 37.8 | -154.9 | -144 | 0 | 0 | 0 | 0 | 115.5 | R238 | V160-R238 PolarHBondContact O-NH2 3.21Š|
| 161 | G | 30 | Very low | 37.2 | Very low | 72 Ų | 72 | 93.6 Ų | 93.6 | 74% | 0.742 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | -15.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | G159 | G159-G161 PolarHBondContact O-N 2.91Š|
| 162 | R | 27.6 | Very low | 37.2 | Very low | 192 Ų | 192 | 98 Ų | 98 | 73% | 0.725 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -97.3 | -8.5 | -176 | -69.1 | -169.8 | 179.4 | -177 | 2.8 | 115.6 | R164 N165 | R162-R164 PolarHBondContact O-N 3.45Å; R162-N165 PolarHBondContact O-N 3.05Å |
| 163 | C | 32 | Very low | 37.5 | Very low | 48 Ų | 48 | 92.9 Ų | 92.9 | 32% | 0.324 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -3 | -172.4 | -44.4 | 0 | 0 | 0 | 0 | 115.5 | | |
| 164 | R | 32.8 | Very low | 37.6 | Very low | 240 Ų | 240 | 91.3 Ų | 91.3 | 91% | 0.906 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -20.6 | 174 | -85.1 | -173.6 | 168.3 | -176.4 | -5.1 | 114.2 | R162 | R162-R164 PolarHBondContact O-N 3.45Š|
| 165 | N | 29.6 | Very low | 37.8 | Very low | 144 Ų | 144 | 96.3 Ų | 96.3 | 77% | 0.77 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -121.9 | 6.1 | -174.2 | -72.4 | 7.8 | 0 | 0 | 0 | 114.4 | R162 | R162-N165 PolarHBondContact O-N 3.05Š|
| 166 | A | 31.6 | Very low | 38 | Very low | 52 Ų | 52 | 99.4 Ų | 99.4 | 43% | 0.43 | 53% | 0.526 | S | S | . | . | | | trans | -84.7 | 127.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | L168 | A166-L168 HydrophobicContact CB-CD1 4.16Å; A166-L168 HydrophobicContact CB-CD2 4.39Å; A166-L168 HydrophobicContact CB-CG 3.85Å; A166-L168 PolarHBondContact O-N 3.15Å |
| 167 | N | 37.9 | Very low | 38.7 | Very low | 135 Ų | 135 | 94 Ų | 94 | 72% | 0.722 | 49% | 0.49 | S | S | * | . | | | trans | -69.1 | 67.6 | 169.5 | -83.3 | -40.3 | 0 | 0 | 0 | 110.5 | E44 N169 | E44-N167 PolarHBondContact OE1-ND2 2.96Å; N167-N169 PolarHBondContact O-N 3.08Å |
| 168 | L | 42.1 | Very low | 39.4 | Very low | 48 Ų | 48 | 94 Ų | 94 | 25% | 0.251 | 48% | 0.482 | S | S | . | . | | | trans | -71.7 | 120.8 | -178.9 | -72.2 | 161.8 | 0 | 0 | 0 | 109.8 | L154 A166 W170 | L154-L168 HydrophobicContact CD1-CD1 4.27Å; L154-L168 HydrophobicContact CD2-CB 4.38Å; L154-L168 HydrophobicContact CD2-CD1 3.6Å; L154-L168 HydrophobicContact CD2-CD2 3.61Å; L154-L168 HydrophobicContact CD2-CG 4.03Å; L154-L168 HydrophobicContact CG-CD1 4.39Å; A166-L168 HydrophobicContact CB-CD1 4.16Å; A166-L168 HydrophobicContact CB-CD2 4.39Å; A166-L168 HydrophobicContact CB-CG 3.85Å; A166-L168 PolarHBondContact O-N 3.15Å; L168-W170 VanDerWaalsContact C-N 3.34Å; L168-W170 HydrophobicContact CD1-CZ2 4.36Å; L168-W170 PolarHBondContact O-N 3.16Å; L168-W170 PolarHBondContact O-NE1 3.42Å |
| 169 | N | 46.3 | Very low | 40.1 | Very low | 99 Ų | 99 | 90.9 Ų | 90.9 | 53% | 0.529 | 49% | 0.487 | S | S | . | . | | | trans | -72.1 | 92.2 | 170.9 | -173.3 | -5.2 | 0 | 0 | 0 | 109.3 | N167 D171 Y172 V173 | N167-N169 PolarHBondContact O-N 3.08Å; N169-D171 PolarHBondContact O-N 3.41Å; N169-D171 WeakPolarHBondContact OD1-CB 3.33Å; N169-D171 PolarHBondContact OD1-N 2.93Å; N169-D171 VanDerWaalsContact OD1-N 3.16Å; N169-Y172 WeakPolarHBondContact O-CB 3.47Å; N169-Y172 PolarHBondContact O-N 3.06Å; N169-V173 PolarHBondContact O-N 2.91Å |
| 170 | W | 48.8 | Very low | 40.9 | Very low | 56 Ų | 56 | 92.6 Ų | 92.6 | 21% | 0.212 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -61.1 | -23.4 | -179.5 | -68.9 | 96.3 | 0 | 0 | 0 | 113.5 | L154 L168 S174 P187 L191 | L154-W170 HydrophobicContact CD1-CH2 3.57Å; L154-W170 HydrophobicContact CD1-CZ3 3.84Å; L168-W170 VanDerWaalsContact C-N 3.34Å; L168-W170 HydrophobicContact CD1-CZ2 4.36Å; L168-W170 PolarHBondContact O-N 3.16Å; L168-W170 PolarHBondContact O-NE1 3.42Å; W170-S174 WeakPolarHBondContact O-CB 3.49Å; W170-S174 PolarHBondContact O-N 3.02Å; W170-S174 PolarHBondContact O-OG 2.87Å; W170-P187 HydrophobicContact CE3-CB 4.47Å; W170-P187 HydrophobicContact CZ3-CB 4.49Å; W170-L191 HydrophobicContact CH2-CD1 3.47Å; W170-L191 VanDerWaalsContact CH2-CD1 3.47Å; W170-L191 HydrophobicContact CZ3-CD1 3.5Å |
| 171 | D | 46.7 | Very low | 41.9 | Very low | 107 Ų | 107 | 92.9 Ų | 92.9 | 57% | 0.572 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -71.3 | -43.1 | 178.1 | -56.3 | -30.1 | 0 | 0 | 0 | 109.6 | N169 V173 S174 E175 | N169-D171 PolarHBondContact O-N 3.41Å; N169-D171 WeakPolarHBondContact OD1-CB 3.33Å; N169-D171 PolarHBondContact OD1-N 2.93Å; N169-D171 VanDerWaalsContact OD1-N 3.16Å; D171-V173 PolarHBondContact O-N 3.25Å; D171-S174 WeakPolarHBondContact O-CA 3.48Å; D171-S174 WeakPolarHBondContact O-CB 3.41Å; D171-S174 PolarHBondContact O-N 3.2Å; D171-S174 VanDerWaalsContact O-N 3.09Å; D171-E175 WeakPolarHBondContact O-CG 3.47Å; D171-E175 PolarHBondContact O-N 3.3Å |
| 172 | Y | 43.5 | Very low | 42.5 | Very low | 146 Ų | 146 | 96.2 Ų | 96.2 | 57% | 0.573 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -60.1 | -41.9 | 172.8 | -177.2 | -101.5 | 0 | 0 | 0 | 112.8 | N169 S174 E175 Y176 | N169-Y172 WeakPolarHBondContact O-CB 3.47Å; N169-Y172 PolarHBondContact O-N 3.06Å; Y172-S174 VanDerWaalsContact C-N 3.3Å; Y172-S174 PolarHBondContact O-N 2.9Å; Y172-E175 PolarHBondContact O-N 3.38Å; Y172-Y176 WeakPolarHBondContact O-CB 3.21Å; Y172-Y176 PolarHBondContact O-N 3.37Å |
| 173 | V | 49 | Very low | 43.2 | Very low | 13 Ų | 13 | 87.5 Ų | 87.5 | 8% | 0.079 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -65.7 | -36 | 175.6 | -175.3 | 0 | 0 | 0 | 0 | 111.1 | L154 N169 D171 M177 P187 | L154-V173 HydrophobicContact CD2-CG2 3.8Å; N169-V173 PolarHBondContact O-N 2.91Å; D171-V173 PolarHBondContact O-N 3.25Å; V173-M177 WeakPolarHBondContact O-CB 3.43Å; V173-M177 WeakPolarHBondContact O-CG 3.4Å; V173-M177 PolarHBondContact O-N 2.95Å; V173-P187 HydrophobicContact CG1-CB 4.39Å; V173-P187 HydrophobicContact CG1-CG 4.08Å |
| 174 | S | 48.1 | Very low | 43.8 | Very low | 29 Ų | 29 | 89.5 Ų | 89.5 | 20% | 0.203 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -66.5 | -47.7 | 175.8 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | W170 D171 Y172 Y176 M177 L178 P187 | W170-S174 WeakPolarHBondContact O-CB 3.49Å; W170-S174 PolarHBondContact O-N 3.02Å; W170-S174 PolarHBondContact O-OG 2.87Å; D171-S174 WeakPolarHBondContact O-CA 3.48Å; D171-S174 WeakPolarHBondContact O-CB 3.41Å; D171-S174 PolarHBondContact O-N 3.2Å; D171-S174 VanDerWaalsContact O-N 3.09Å; Y172-S174 VanDerWaalsContact C-N 3.3Å; Y172-S174 PolarHBondContact O-N 2.9Å; S174-Y176 PolarHBondContact O-N 2.66Å; S174-M177 PolarHBondContact O-N 3.02Å; S174-L178 WeakPolarHBondContact O-CB 3.35Å; S174-L178 PolarHBondContact O-N 3.05Å; S174-P187 VanDerWaalsContact OG-CD 3.25Å; S174-P187 WeakPolarHBondContact OG-CD 3.46Å |
| 175 | E | 46.1 | Very low | 44.5 | Very low | 131 Ų | 131 | 80 Ų | 80 | 61% | 0.612 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -61.5 | -42 | 176.8 | -72.9 | -178.5 | 162.5 | 0 | 0 | 111.7 | D171 Y172 L178 A179 | D171-E175 WeakPolarHBondContact O-CG 3.47Å; D171-E175 PolarHBondContact O-N 3.3Å; Y172-E175 PolarHBondContact O-N 3.38Å; E175-L178 PolarHBondContact O-N 2.98Å; E175-A179 VanDerWaalsContact O-CB 3.22Å; E175-A179 WeakPolarHBondContact O-CB 3.35Å; E175-A179 PolarHBondContact O-N 3.36Å |
| 176 | Y | 46.4 | Very low | 45.3 | Very low | 89 Ų | 89 | 74.8 Ų | 74.8 | 35% | 0.349 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 177.4 | -164.5 | -84.4 | 0 | 0 | 0 | 112.4 | L153 Y172 S174 A179 Q180 | L153-Y176 HydrophobicContact CD1-CD1 3.97Å; L153-Y176 HydrophobicContact CD1-CE1 4.48Å; L153-Y176 HydrophobicContact CD2-CD1 3.64Å; L153-Y176 HydrophobicContact CD2-CE1 3.39Å; L153-Y176 HydrophobicContact CG-CD1 4.46Å; Y172-Y176 WeakPolarHBondContact O-CB 3.21Å; Y172-Y176 PolarHBondContact O-N 3.37Å; S174-Y176 PolarHBondContact O-N 2.66Å; Y176-A179 PolarHBondContact O-N 2.95Å; Y176-Q180 HydrophobicContact CD1-CG 4.22Å; Y176-Q180 HydrophobicContact CE1-CG 3.92Å; Y176-Q180 WeakPolarHBondContact O-CB 3.39Å; Y176-Q180 PolarHBondContact O-N 3.2Å; Y176-Q180 PolarHBondContact OH-NE2 3.05Å; Y176-Q180 PolarHBondContact OH-OE1 3.16Å |
| 177 | M | 51.6 | Low | 46 | Very low | 3 Ų | 3 | 72.4 Ų | 72.4 | 2% | 0.015 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -68.6 | -36 | 174.7 | -74.1 | -164.4 | 66.3 | 0 | 0 | 112.9 | V146 L149 A150 L153 V173 S174 K181 C183 P187 | V146-M177 HydrophobicContact CB-CE 4.39Å; V146-M177 HydrophobicContact CG1-CE 3.74Å; L149-M177 HydrophobicContact CB-CE 3.84Å; L149-M177 HydrophobicContact CD1-CE 4.49Å; A150-M177 HydrophobicContact CB-SD 4.17Å; L153-M177 HydrophobicContact CD1-CG 3.4Å; L153-M177 HydrophobicContact CD1-SD 4.03Å; V173-M177 WeakPolarHBondContact O-CB 3.43Å; V173-M177 WeakPolarHBondContact O-CG 3.4Å; V173-M177 PolarHBondContact O-N 2.95Å; S174-M177 PolarHBondContact O-N 3.02Å; M177-K181 WeakPolarHBondContact O-CA 3.44Å; M177-K181 WeakPolarHBondContact O-CB 3.16Å; M177-K181 PolarHBondContact O-N 3.03Å; M177-C183 PolarHBondContact O-N 2.89Å; M177-P187 HydrophobicContact CG-CG 4.43Å; M177-P187 HydrophobicContact SD-CB 4.27Å; M177-P187 HydrophobicContact SD-CG 3.7Å |
| 178 | L | 47.9 | Very low | 46.2 | Very low | 97 Ų | 97 | 73.1 Ų | 73.1 | 51% | 0.508 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.1 | -49.4 | 172.8 | -168 | 81.5 | 0 | 0 | 0 | 110.6 | S174 E175 K182 | S174-L178 WeakPolarHBondContact O-CB 3.35Å; S174-L178 PolarHBondContact O-N 3.05Å; E175-L178 PolarHBondContact O-N 2.98Å; L178-K182 WeakPolarHBondContact O-CA 3.46Å; L178-K182 PolarHBondContact O-N 3.39Å |
| 179 | A | 44.2 | Very low | 46.3 | Very low | 84 Ų | 84 | 76.1 Ų | 76.1 | 69% | 0.694 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -66.2 | -45.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | E175 Y176 | E175-A179 VanDerWaalsContact O-CB 3.22Å; E175-A179 WeakPolarHBondContact O-CB 3.35Å; E175-A179 PolarHBondContact O-N 3.36Å; Y176-A179 PolarHBondContact O-N 2.95Å |
| 180 | Q | 46.2 | Very low | 46.1 | Very low | 101 Ų | 101 | 71.4 Ų | 71.4 | 47% | 0.472 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -89.1 | -24.3 | -174.9 | -67.5 | -153.2 | -15.8 | 0 | 0 | 115.2 | Y176 | Y176-Q180 HydrophobicContact CD1-CG 4.22Å; Y176-Q180 HydrophobicContact CE1-CG 3.92Å; Y176-Q180 WeakPolarHBondContact O-CB 3.39Å; Y176-Q180 PolarHBondContact O-N 3.2Å; Y176-Q180 PolarHBondContact OH-NE2 3.05Å; Y176-Q180 PolarHBondContact OH-OE1 3.16Å |
| 181 | K | 50.7 | Low | 45.8 | Very low | 65 Ų | 65 | 70.6 Ų | 70.6 | 28% | 0.283 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -127.8 | 2.6 | -173.1 | -59.8 | -65.3 | 174.5 | -166.8 | 0 | 114.2 | P137 L149 M177 C183 | P137-K181 HydrophobicContact CG-CD 3.81Å; L149-K181 HydrophobicContact CD1-CG 4.43Å; M177-K181 WeakPolarHBondContact O-CA 3.44Å; M177-K181 WeakPolarHBondContact O-CB 3.16Å; M177-K181 PolarHBondContact O-N 3.03Å; K181-C183 HydrophobicContact CB-CB 4.47Å; K181-C183 PolarHBondContact O-N 3.32Å |
| 182 | K | 44.2 | Very low | 45.4 | Very low | 141 Ų | 141 | 69.4 Ų | 69.4 | 61% | 0.613 | 36% | 0.355 | S | S | * | . | | | trans | 52 | 22.7 | -173.5 | -63.5 | -174.7 | 175.9 | -177.3 | 0 | 113.5 | L178 A184 | L178-K182 WeakPolarHBondContact O-CA 3.46Å; L178-K182 PolarHBondContact O-N 3.39Å; K182-A184 PolarHBondContact O-N 3.01Å |
| 183 | C | 41.9 | Very low | 44.8 | Very low | 10 Ų | 10 | 68.8 Ų | 68.8 | 7% | 0.068 | 35% | 0.352 | C | S | . | . | | | trans | -80.2 | 106.5 | -176.2 | -165.3 | 0 | 0 | 0 | 0 | 109.4 | V146 M177 K181 I185 | V146-C183 WeakPolarHBondContact CG2-SG 3.33Å; M177-C183 PolarHBondContact O-N 2.89Å; K181-C183 HydrophobicContact CB-CB 4.47Å; K181-C183 PolarHBondContact O-N 3.32Å; C183-I185 PolarHBondContact O-N 2.91Å |
| 184 | A | 45.3 | Very low | 44.1 | Very low | 90 Ų | 90 | 69.6 Ų | 69.6 | 74% | 0.744 | 36% | 0.358 | S | S | * | . | | | trans | -76.7 | -5.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K182 | K182-A184 PolarHBondContact O-N 3.01Š|
| 185 | I | 46 | Very low | 43.3 | Very low | 41 Ų | 41 | 74 Ų | 74 | 21% | 0.21 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -81.7 | 118.7 | 177.5 | -56 | 175.4 | 0 | 0 | 0 | 108 | C183 C190 | C183-I185 PolarHBondContact O-N 2.91Å; I185-C190 HydrophobicContact CG2-CB 3.97Å |
| 186 | S | 47.8 | Very low | 42.5 | Very low | 34 Ų | 34 | 72.3 Ų | 72.3 | 24% | 0.238 | 38% | 0.378 | C | S | . | . | | | trans | -60.9 | 132.9 | 176.2 | 66.8 | 0 | 0 | 0 | 0 | 110.3 | R188 Q189 C190 | S186-R188 PolarHBondContact O-N 3.29Å; S186-Q189 PolarHBondContact O-N 3.45Å; S186-Q189 VanDerWaalsContact OG-CB 3.26Å; S186-Q189 WeakPolarHBondContact OG-CB 3.28Å; S186-Q189 WeakPolarHBondContact OG-CG 3.39Å; S186-Q189 PolarHBondContact OG-N 3.17Å; S186-Q189 PolarHBondContact OG-OE1 3.35Å; S186-C190 PolarHBondContact O-N 2.95Å |
| 187 | P | 46.1 | Very low | 41.6 | Very low | 1 Ų | 1 | 76.5 Ų | 76.5 | 1% | 0.006 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -53 | -33.2 | 179.2 | -24.8 | 32.6 | 0 | 0 | 0 | 112.3 | A150 W170 V173 S174 M177 C190 L191 | A150-P187 HydrophobicContact CB-CB 4.17Å; W170-P187 HydrophobicContact CE3-CB 4.47Å; W170-P187 HydrophobicContact CZ3-CB 4.49Å; V173-P187 HydrophobicContact CG1-CB 4.39Å; V173-P187 HydrophobicContact CG1-CG 4.08Å; S174-P187 VanDerWaalsContact OG-CD 3.25Å; S174-P187 WeakPolarHBondContact OG-CD 3.46Å; M177-P187 HydrophobicContact CG-CG 4.43Å; M177-P187 HydrophobicContact SD-CB 4.27Å; M177-P187 HydrophobicContact SD-CG 3.7Å; P187-C190 PolarHBondContact O-N 3.03Å; P187-L191 WeakPolarHBondContact O-CB 3.14Å; P187-L191 WeakPolarHBondContact O-CG 3.26Å; P187-L191 PolarHBondContact O-N 2.89Å |
| 188 | R | 40.7 | Very low | 40.6 | Very low | 151 Ų | 151 | 84.8 Ų | 84.8 | 57% | 0.57 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -69.1 | -40.8 | 179 | -151.6 | 171.7 | -172.4 | 168.7 | 3 | 113.2 | S186 C190 T192 | S186-R188 PolarHBondContact O-N 3.29Å; R188-C190 VanDerWaalsContact C-N 3.34Å; R188-T192 PolarHBondContact O-N 3.48Å; R188-T192 PolarHBondContact O-OG1 3.44Å |
| 189 | Q | 44.5 | Very low | 39.6 | Very low | 111 Ų | 111 | 84.9 Ų | 84.9 | 52% | 0.519 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69 | -34 | 169.5 | -75.4 | 168.5 | -16.1 | 0 | 0 | 111.8 | S186 T192 R193 | S186-Q189 PolarHBondContact O-N 3.45Å; S186-Q189 VanDerWaalsContact OG-CB 3.26Å; S186-Q189 WeakPolarHBondContact OG-CB 3.28Å; S186-Q189 WeakPolarHBondContact OG-CG 3.39Å; S186-Q189 PolarHBondContact OG-N 3.17Å; S186-Q189 PolarHBondContact OG-OE1 3.35Å; Q189-T192 WeakPolarHBondContact CA-OG1 3.46Å; Q189-T192 PolarHBondContact O-OG1 3.04Å; Q189-T192 VanDerWaalsContact O-OG1 3.12Å; Q189-R193 WeakPolarHBondContact O-CB 3.47Å; Q189-R193 VanDerWaalsContact O-CG 3.28Å; Q189-R193 WeakPolarHBondContact O-CG 3.25Å; Q189-R193 PolarHBondContact O-N 2.76Å |
| 190 | C | 42.7 | Very low | 38.8 | Very low | 0 Ų | 0 | 84.9 Ų | 84.9 | 0% | 0 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -69.5 | -46.2 | 179.6 | -152.4 | 0 | 0 | 0 | 0 | 111.8 | D143 V146 C147 I185 S186 P187 R188 R193 S194 | D143-C190 WeakPolarHBondContact CA-SG 3.22Å; D143-C190 PolarHBondContact O-SG 3.35Å; V146-C190 HydrophobicContact CB-CB 4.39Å; V146-C190 VanDerWaalsContact CB-SG 3.51Å; V146-C190 HydrophobicContact CG1-CB 3.68Å; V146-C190 WeakPolarHBondContact CG1-SG 3.19Å; C147-C190 PolarHBondContact SG-O 3.23Å; C147-C190 VanDerWaalsContact SG-O 3.33Å; C147-C190 PolarHBondContact SG-SG 2.84Å; I185-C190 HydrophobicContact CG2-CB 3.97Å; S186-C190 PolarHBondContact O-N 2.95Å; P187-C190 PolarHBondContact O-N 3.03Å; R188-C190 VanDerWaalsContact C-N 3.34Å; C190-R193 PolarHBondContact O-N 3.01Å; C190-S194 WeakPolarHBondContact O-CB 3.19Å; C190-S194 PolarHBondContact O-N 3.25Å |
| 191 | L | 42.2 | Very low | 37.9 | Very low | 39 Ų | 39 | 89.5 Ų | 89.5 | 20% | 0.204 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -59.6 | -48.2 | 175.6 | -75.2 | 167.3 | 0 | 0 | 0 | 111.1 | C147 W170 P187 R193 S194 E195 | C147-L191 HydrophobicContact CB-CD2 4.36Å; W170-L191 HydrophobicContact CH2-CD1 3.47Å; W170-L191 VanDerWaalsContact CH2-CD1 3.47Å; W170-L191 HydrophobicContact CZ3-CD1 3.5Å; P187-L191 WeakPolarHBondContact O-CB 3.14Å; P187-L191 WeakPolarHBondContact O-CG 3.26Å; P187-L191 PolarHBondContact O-N 2.89Å; L191-R193 VanDerWaalsContact C-N 3.34Å; L191-R193 PolarHBondContact O-N 3.48Å; L191-S194 PolarHBondContact O-N 3.38Å; L191-S194 VanDerWaalsContact O-N 3.09Å; L191-S194 PolarHBondContact O-OG 3.39Å; L191-E195 PolarHBondContact O-N 3.46Å |
| 192 | T | 38.8 | Very low | 36.7 | Very low | 82 Ų | 82 | 89.5 Ų | 89.5 | 50% | 0.503 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.9 | -33.7 | 176.6 | 47.6 | 0 | 0 | 0 | 0 | 113.5 | R188 Q189 S196 | R188-T192 PolarHBondContact O-N 3.48Å; R188-T192 PolarHBondContact O-OG1 3.44Å; Q189-T192 WeakPolarHBondContact CA-OG1 3.46Å; Q189-T192 PolarHBondContact O-OG1 3.04Å; Q189-T192 VanDerWaalsContact O-OG1 3.12Å; T192-S196 PolarHBondContact O-N 3.35Å |
| 193 | R | 31.1 | Very low | 35.8 | Very low | 132 Ų | 132 | 88.3 Ų | 88.3 | 50% | 0.498 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.9 | -35.4 | 169.8 | -77.4 | 177.8 | 175.3 | -169.9 | 0.7 | 113.1 | Q189 C190 L191 E195 S196 R197 | Q189-R193 WeakPolarHBondContact O-CB 3.47Å; Q189-R193 VanDerWaalsContact O-CG 3.28Å; Q189-R193 WeakPolarHBondContact O-CG 3.25Å; Q189-R193 PolarHBondContact O-N 2.76Å; C190-R193 PolarHBondContact O-N 3.01Å; L191-R193 VanDerWaalsContact C-N 3.34Å; L191-R193 PolarHBondContact O-N 3.48Å; R193-E195 VanDerWaalsContact C-N 3.31Å; R193-S196 PolarHBondContact O-N 3.29Å; R193-S196 PolarHBondContact O-OG 3.41Å; R193-R197 WeakPolarHBondContact O-CB 3.43Å; R193-R197 PolarHBondContact O-N 3.29Å |
| 194 | S | 34.1 | Very low | 34.9 | Very low | 30 Ų | 30 | 92.9 Ų | 92.9 | 21% | 0.21 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -69.3 | -32.6 | 176.6 | 81 | 0 | 0 | 0 | 0 | 111.8 | C147 C190 L191 R197 R198 | C147-S194 VanDerWaalsContact SG-CB 3.54Å; C190-S194 WeakPolarHBondContact O-CB 3.19Å; C190-S194 PolarHBondContact O-N 3.25Å; L191-S194 PolarHBondContact O-N 3.38Å; L191-S194 VanDerWaalsContact O-N 3.09Å; L191-S194 PolarHBondContact O-OG 3.39Å; S194-R197 CarbonylContact O-C 3.22Å; S194-R197 PolarHBondContact O-N 3.46Å; S194-R198 PolarHBondContact O-N 3.15Å |
| 195 | E | 31.3 | Very low | 33.9 | Very low | 121 Ų | 121 | 97.7 Ų | 97.7 | 57% | 0.565 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.4 | -38.2 | 171.8 | -72 | -174 | 144.3 | 0 | 0 | 111.8 | L191 R193 R197 R198 | L191-E195 PolarHBondContact O-N 3.46Å; R193-E195 VanDerWaalsContact C-N 3.31Å; E195-R197 VanDerWaalsContact C-N 3.3Å; E195-R197 PolarHBondContact O-N 3.48Å; E195-R198 PolarHBondContact O-N 3.45Å |
| 196 | S | 29 | Very low | 32.9 | Very low | 96 Ų | 96 | 100 Ų | 100 | 67% | 0.671 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -71.8 | -21.8 | 172.4 | 74.4 | 0 | 0 | 0 | 0 | 114 | T192 R193 | T192-S196 PolarHBondContact O-N 3.35Å; R193-S196 PolarHBondContact O-N 3.29Å; R193-S196 PolarHBondContact O-OG 3.41Å |
| 197 | R | 28.4 | Very low | 31.8 | Very low | 177 Ų | 177 | 104.5 Ų | 104.5 | 67% | 0.668 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -1.5 | 173 | -74.3 | -173.1 | 172.9 | -175.9 | 0.7 | 114.6 | D143 R193 S194 E195 S199 | D143-R197 IonicContact OD2-CZ 3.77Å; D143-R197 IonicContact OD2-NH1 3.4Å; D143-R197 PolarHBondContact OD2-NH1 3.04Å; R193-R197 WeakPolarHBondContact O-CB 3.43Å; R193-R197 PolarHBondContact O-N 3.29Å; S194-R197 CarbonylContact O-C 3.22Å; S194-R197 PolarHBondContact O-N 3.46Å; E195-R197 VanDerWaalsContact C-N 3.3Å; E195-R197 PolarHBondContact O-N 3.48Å; R197-S199 PolarHBondContact O-N 3.35Å |
| 198 | R | 29.2 | Very low | 30.7 | Very low | 178 Ų | 178 | 112.8 Ų | 112.8 | 67% | 0.672 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -62.9 | 110.5 | 162.7 | -79.7 | -175.3 | -179.9 | -178.9 | 3.8 | 106.8 | S194 E195 V200 | S194-R198 PolarHBondContact O-N 3.15Å; E195-R198 PolarHBondContact O-N 3.45Å; R198-V200 PolarHBondContact O-N 3.03Å |
| 199 | S | 26.7 | Very low | 29.7 | Very low | 98 Ų | 98 | 110.9 Ų | 110.9 | 69% | 0.685 | 59% | 0.586 | S | S | * | * | | | trans | -42.3 | 121.3 | 156.9 | 165.8 | 0 | 0 | 0 | 0 | 107.3 | R197 R201 | R197-S199 PolarHBondContact O-N 3.35Å; S199-R201 PolarHBondContact O-N 3.35Å |
| 200 | V | 28.9 | Very low | 28.8 | Very low | 85 Ų | 85 | 110.6 Ų | 110.6 | 52% | 0.515 | 59% | 0.594 | S | S | . | * | | | trans | -61.6 | 90.8 | 167.7 | 178 | 0 | 0 | 0 | 0 | 105.2 | R198 G202 Q203 | R198-V200 PolarHBondContact O-N 3.03Å; V200-G202 PolarHBondContact O-N 2.85Å; V200-Q203 HydrophobicContact CB-CG 4.37Å; V200-Q203 HydrophobicContact CG1-CG 4.3Å; V200-Q203 PolarHBondContact O-N 2.93Å |
| 201 | R | 26.4 | Very low | 27.7 | Very low | 197 Ų | 197 | 118.3 Ų | 118.3 | 74% | 0.743 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 81.2 | -178.4 | -153 | 176.8 | -171.6 | -169 | -0.5 | 105.9 | S199 | S199-R201 PolarHBondContact O-N 3.35Š|
| 202 | G | 26.4 | Very low | 26.7 | Very low | 66 Ų | 66 | 122.5 Ų | 122.5 | 68% | 0.68 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 159 | -21.3 | -155.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V200 P204 | V200-G202 PolarHBondContact O-N 2.85Å; G202-P204 WeakPolarHBondContact O-CD 3.48Å |
| 203 | Q | 23.5 | Very low | 25.8 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 54% | 0.542 | 68% | 0.676 | S | S | . | * | | | trans | -75.7 | 117.5 | 153.1 | -81.2 | -164.3 | -22.1 | 0 | 0 | 108.3 | V200 I410 | V200-Q203 HydrophobicContact CB-CG 4.37Å; V200-Q203 HydrophobicContact CG1-CG 4.3Å; V200-Q203 PolarHBondContact O-N 2.93Å; Q203-I410 HydrophobicContact CG-CG2 4.49Å |
| 204 | P | 24.9 | Very low | 25.3 | Very low | 106 Ų | 106 | 123.2 Ų | 123.2 | 69% | 0.688 | 69% | 0.69 | S | S | * | * | | | trans | -60.9 | 157.5 | 159.5 | 29.4 | -33.9 | 0 | 0 | 0 | 108.4 | G202 A206 | G202-P204 WeakPolarHBondContact O-CD 3.48Å; P204-A206 PolarHBondContact O-N 2.86Å |
| 205 | K | 24.4 | Very low | 24.5 | Very low | 191 Ų | 191 | 126.4 Ų | 126.4 | 83% | 0.83 | 71% | 0.712 | S | S | * | * | | | trans | -67.5 | 84.6 | 163.6 | -78.5 | -174.4 | 167.7 | -165.6 | 0 | 108.5 | D207 | K205-D207 PolarHBondContact O-N 3.03Š|
| 206 | A | 23.9 | Very low | 24 | Very low | 89 Ų | 89 | 130.7 Ų | 130.7 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | | | trans | -79.2 | 56.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | P204 | P204-A206 PolarHBondContact O-N 2.86Š|
| 207 | D | 24 | Very low | 23.7 | Very low | 129 Ų | 129 | 131 Ų | 131 | 69% | 0.69 | 72% | 0.724 | S | S | * | * | | | trans | -74.3 | 125.8 | 150.8 | -72.8 | -46.8 | 0 | 0 | 0 | 105.5 | K205 | K205-D207 PolarHBondContact O-N 3.03Š|
| 208 | L | 23.8 | Very low | 23.4 | Very low | 175 Ų | 175 | 131.9 Ų | 131.9 | 92% | 0.916 | 73% | 0.733 | S | S | * | * | S | Bend | trans | 77.7 | 86.9 | 178.1 | -47 | 171.8 | 0 | 0 | 0 | 116.8 | | |
| 209 | S | 19.5 | Very low | 23.1 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | | | trans | -66 | 167.5 | 151.6 | 57.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 210 | P | 25.2 | Very low | 22.8 | Very low | 105 Ų | 105 | 134.3 Ų | 134.3 | 68% | 0.682 | 75% | 0.745 | S | S | * | * | | | cis | -131 | -171.3 | -11.7 | 34.7 | -14 | 0 | 0 | 0 | 113.6 | | |
| 211 | L | 20.5 | Very low | 22.6 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | | | trans | 69.8 | 136.9 | -176.3 | -51.8 | 117.9 | 0 | 0 | 0 | 111.9 | | |
| 212 | V | 21.2 | Very low | 22.3 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | | | cis | -136 | 139.8 | 41.8 | 169.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 213 | S | 18.5 | Very low | 22.1 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | -90.6 | 120 | 161 | 53.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 214 | S | 20.6 | Very low | 22 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | -148.3 | 135.8 | 157.1 | 57.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 215 | S | 18.8 | Very low | 21.8 | Very low | 97 Ų | 97 | 143.1 Ų | 143.1 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | | | trans | -100.6 | 178 | -175.8 | 40.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 216 | Y | 20.7 | Very low | 21.8 | Very low | 211 Ų | 211 | 137.5 Ų | 137.5 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | | | trans | 83.4 | 150.3 | 171 | -67.8 | -98.6 | 0 | 0 | 0 | 117.4 | | |
| 217 | P | 23.1 | Very low | 21.7 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 66% | 0.662 | 80% | 0.796 | S | S | * | * | | | cis | -139.2 | -177.6 | -33.6 | 35.7 | -17.7 | 0 | 0 | 0 | 115.5 | | |
| 218 | F | 21.2 | Very low | 21.6 | Very low | 196 Ų | 196 | 138.7 Ų | 138.7 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | | | trans | -47.1 | 142.1 | 158.3 | -105.4 | -111.6 | 0 | 0 | 0 | 112.5 | | |
| 219 | I | 22.2 | Very low | 21.5 | Very low | 148 Ų | 148 | 137 Ų | 137 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | | | trans | -126.1 | 115.8 | 156.9 | -65 | 178 | 0 | 0 | 0 | 106.8 | | |
| 220 | E | 21.1 | Very low | 21.6 | Very low | 179 Ų | 179 | 135.8 Ų | 135.8 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | | | trans | -72.1 | 130.6 | 162.3 | -69.3 | 171.8 | 139.5 | 0 | 0 | 108.3 | | |
| 221 | S | 24.2 | Very low | 21.4 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | | | trans | -137.3 | 87.8 | 160.7 | 66.1 | 0 | 0 | 0 | 0 | 108.9 | T223 | S221-T223 PolarHBondContact O-N 3.36Š|
| 222 | E | 19.7 | Very low | 21.5 | Very low | 188 Ų | 188 | 134.9 Ų | 134.9 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | | | trans | -57.8 | 127.4 | 156.4 | -64.4 | -176.6 | 138.6 | 0 | 0 | 108.4 | | |
| 223 | T | 23.2 | Very low | 21.4 | Very low | 132 Ų | 132 | 133 Ų | 133 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | | | trans | -158.9 | 122 | 147.8 | -3 | 0 | 0 | 0 | 0 | 109.1 | S221 | S221-T223 PolarHBondContact O-N 3.36Š|
| 224 | E | 21.1 | Very low | 21.7 | Very low | 188 Ų | 188 | 134.2 Ų | 134.2 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | | | trans | -67.1 | 130.2 | 174.6 | -56.7 | 171.7 | 122 | 0 | 0 | 110 | | |
| 225 | T | 21.8 | Very low | 21.7 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 88% | 0.877 | 75% | 0.75 | S | S | * | * | | | | -179.3 | 136.3 | 129.9 | 22.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 226 | G | 23.7 | Very low | 21.9 | Very low | 73 Ų | 73 | 135.2 Ų | 135.2 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | | | trans | -79.7 | 160.9 | -164 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 227 | T | 21.8 | Very low | 22.1 | Very low | 145 Ų | 145 | 128 Ų | 128 | 89% | 0.89 | 73% | 0.733 | S | S | * | * | | | trans | -159.6 | 147.7 | 144.6 | 12.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 228 | S | 20.8 | Very low | 22.4 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 69% | 0.685 | 72% | 0.722 | S | S | * | * | | | trans | -22.8 | 124.8 | 171.1 | -179.3 | 0 | 0 | 0 | 0 | 117.3 | T230 | S228-T230 PolarHBondContact O-N 2.78Å; S228-T230 VanDerWaalsContact O-N 3.14Å |
| 229 | T | 22 | Very low | 22.7 | Very low | 141 Ų | 141 | 124.3 Ų | 124.3 | 87% | 0.865 | 72% | 0.715 | S | S | * | * | | | trans | -81 | 81.9 | 167.5 | 39.8 | 0 | 0 | 0 | 0 | 111.8 | L231 | T229-L231 PolarHBondContact O-N 2.99Š|
| 230 | T | 21.8 | Very low | 23 | Very low | 84 Ų | 84 | 120.2 Ų | 120.2 | 52% | 0.515 | 70% | 0.699 | S | S | . | * | | | trans | -66.9 | 113.4 | 168.2 | 30.2 | 0 | 0 | 0 | 0 | 111.3 | S228 C232 A261 | S228-T230 PolarHBondContact O-N 2.78Å; S228-T230 VanDerWaalsContact O-N 3.14Å; T230-C232 PolarHBondContact O-N 3.33Å; T230-A261 HydrophobicContact CG2-CB 3.99Å |
| 231 | L | 21.1 | Very low | 23.3 | Very low | 156 Ų | 156 | 116.7 Ų | 116.7 | 82% | 0.817 | 68% | 0.681 | S | S | * | * | | | trans | -70.7 | 96.9 | 174.4 | -83 | 163.6 | 0 | 0 | 0 | 111.2 | T229 C233 | T229-L231 PolarHBondContact O-N 2.99Å; L231-C233 PolarHBondContact O-N 3.49Å; L231-C233 VanDerWaalsContact O-N 3.14Å |
| 232 | C | 21.9 | Very low | 23.6 | Very low | 91 Ų | 91 | 112.4 Ų | 112.4 | 62% | 0.615 | 65% | 0.652 | S | S | * | * | | | trans | -69.3 | 103.5 | 170.2 | -72 | 0 | 0 | 0 | 0 | 111.1 | T230 L234 | T230-C232 PolarHBondContact O-N 3.33Å; C232-L234 PolarHBondContact O-N 2.99Å |
| 233 | C | 21.1 | Very low | 24 | Very low | 88 Ų | 88 | 106.8 Ų | 106.8 | 60% | 0.595 | 64% | 0.638 | S | S | * | * | | | trans | -71.5 | 93.4 | 170.7 | -74.3 | 0 | 0 | 0 | 0 | 111.2 | L231 S235 | L231-C233 PolarHBondContact O-N 3.49Å; L231-C233 VanDerWaalsContact O-N 3.14Å; C233-S235 VanDerWaalsContact C-N 3.28Å; C233-S235 PolarHBondContact O-N 3.13Å |
| 234 | L | 22.9 | Very low | 24.5 | Very low | 143 Ų | 143 | 104.6 Ų | 104.6 | 75% | 0.749 | 62% | 0.619 | S | S | * | * | | | trans | -61.4 | 85.6 | 169.2 | -93.6 | 163.6 | 0 | 0 | 0 | 111.4 | C232 L236 | C232-L234 PolarHBondContact O-N 2.99Å; L234-L236 PolarHBondContact O-N 3.15Å |
| 235 | S | 21.9 | Very low | 24.9 | Very low | 69 Ų | 69 | 100.7 Ų | 100.7 | 48% | 0.483 | 60% | 0.597 | S | S | . | * | | | trans | -71.3 | 93 | 168.3 | -66.1 | 0 | 0 | 0 | 0 | 109 | C233 L237 | C233-S235 VanDerWaalsContact C-N 3.28Å; C233-S235 PolarHBondContact O-N 3.13Å; S235-L237 VanDerWaalsContact C-N 3.26Å; S235-L237 PolarHBondContact O-N 3.48Å |
| 236 | L | 23.5 | Very low | 25.2 | Very low | 162 Ų | 162 | 96.8 Ų | 96.8 | 85% | 0.848 | 59% | 0.585 | S | S | * | * | | | trans | -62.1 | 84.3 | 176.1 | -97.4 | 159.7 | 0 | 0 | 0 | 111.3 | L234 R238 | L234-L236 PolarHBondContact O-N 3.15Å; L236-R238 PolarHBondContact O-N 3.23Å |
| 237 | L | 24.4 | Very low | 25.3 | Very low | 58 Ų | 58 | 99.6 Ų | 99.6 | 30% | 0.304 | 58% | 0.577 | S | S | . | * | | | trans | -58.7 | 110.9 | 165.8 | -81 | 154.7 | 0 | 0 | 0 | 108.3 | S235 F241 M255 | S235-L237 VanDerWaalsContact C-N 3.26Å; S235-L237 PolarHBondContact O-N 3.48Å; L237-F241 HydrophobicContact CD2-CD2 4.04Å; L237-F241 HydrophobicContact CD2-CE2 3.76Å; L237-M255 HydrophobicContact CD1-CB 3.52Å; L237-M255 HydrophobicContact CD1-CE 3.54Å; L237-M255 HydrophobicContact CD1-CG 3.8Å; L237-M255 HydrophobicContact CD2-CE 4.27Å |
| 238 | R | 29.4 | Very low | 25.6 | Very low | 111 Ų | 111 | 98.2 Ų | 98.2 | 42% | 0.419 | 57% | 0.57 | S | S | . | * | | | trans | -54.2 | 146.7 | -179.8 | -76.5 | -177.6 | 169.4 | -153.9 | 1.2 | 110 | D151 V160 L236 C240 | D151-R238 IonicContact OD2-NH1 2.93Å; D151-R238 PolarHBondContact OD2-NH1 2.92Å; V160-R238 PolarHBondContact O-NH2 3.21Å; L236-R238 PolarHBondContact O-N 3.23Å; R238-C240 HydrophobicContact CB-CB 4.41Å; R238-C240 PolarHBondContact O-N 2.81Å |
| 239 | P | 26.2 | Very low | 25.9 | Very low | 111 Ų | 111 | 100.8 Ų | 100.8 | 72% | 0.721 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 24.7 | 176.5 | 30.4 | -37.4 | 0 | 0 | 0 | 114.5 | | |
| 240 | C | 28.5 | Very low | 26.1 | Very low | 61 Ų | 61 | 96.2 Ų | 96.2 | 41% | 0.412 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.1 | -10.6 | -176.6 | -55.9 | 0 | 0 | 0 | 0 | 113.1 | R238 G242 A243 Q244 | R238-C240 HydrophobicContact CB-CB 4.41Å; R238-C240 PolarHBondContact O-N 2.81Å; C240-G242 VanDerWaalsContact C-N 3.35Å; C240-G242 PolarHBondContact O-N 2.84Å; C240-A243 PolarHBondContact O-N 3.29Å; C240-A243 VanDerWaalsContact O-N 3.15Å; C240-Q244 PolarHBondContact O-N 2.8Å |
| 241 | F | 29.4 | Very low | 26.3 | Very low | 106 Ų | 106 | 100.5 Ų | 100.5 | 47% | 0.465 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -58.6 | -43.5 | -179.1 | -116.7 | -88.4 | 0 | 0 | 0 | 112.1 | L237 A243 Q244 Y245 | L237-F241 HydrophobicContact CD2-CD2 4.04Å; L237-F241 HydrophobicContact CD2-CE2 3.76Å; F241-A243 VanDerWaalsContact C-N 3.3Å; F241-A243 PolarHBondContact O-N 3.12Å; F241-Q244 PolarHBondContact O-N 3.44Å; F241-Y245 AromaticContact CD1-CE2 4Å; F241-Y245 HydrophobicContact CD1-CE2 4Å; F241-Y245 HydrophobicContact CE1-CE2 4.17Å; F241-Y245 VanDerWaalsContact O-CD2 3.28Å; F241-Y245 WeakPolarHBondContact O-CD2 3.41Å |
| 242 | G | 28.8 | Very low | 26.5 | Very low | 12 Ų | 12 | 98.9 Ų | 98.9 | 12% | 0.124 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -66.1 | -28.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | C240 Y245 G246 F247 | C240-G242 VanDerWaalsContact C-N 3.35Å; C240-G242 PolarHBondContact O-N 2.84Å; G242-Y245 PolarHBondContact O-N 2.71Å; G242-G246 PolarHBondContact O-N 3.24Å; G242-F247 PolarHBondContact O-N 2.96Å |
| 243 | A | 29.4 | Very low | 26.7 | Very low | 70 Ų | 70 | 102.9 Ų | 102.9 | 58% | 0.579 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -72.8 | -33.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | C240 F241 Y245 G246 | C240-A243 PolarHBondContact O-N 3.29Å; C240-A243 VanDerWaalsContact O-N 3.15Å; F241-A243 VanDerWaalsContact C-N 3.3Å; F241-A243 PolarHBondContact O-N 3.12Å; A243-Y245 VanDerWaalsContact C-N 3.26Å; A243-Y245 PolarHBondContact O-N 2.73Å; A243-G246 PolarHBondContact O-N 3.4Å |
| 244 | Q | 32.5 | Very low | 26.8 | Very low | 87 Ų | 87 | 101.9 Ų | 101.9 | 41% | 0.407 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -71.4 | -19 | 177.5 | -73.6 | -175.8 | -19.6 | 0 | 0 | 113.7 | Y148 C240 F241 | Y148-Q244 PolarHBondContact OH-NE2 2.83Å; C240-Q244 PolarHBondContact O-N 2.8Å; F241-Q244 PolarHBondContact O-N 3.44Å |
| 245 | Y | 31 | Very low | 27 | Very low | 105 Ų | 105 | 100 Ų | 100 | 41% | 0.412 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.9 | 10.7 | 178.2 | -61.5 | -74.1 | 0 | 0 | 0 | 113.8 | F241 G242 A243 | F241-Y245 AromaticContact CD1-CE2 4Å; F241-Y245 HydrophobicContact CD1-CE2 4Å; F241-Y245 HydrophobicContact CE1-CE2 4.17Å; F241-Y245 VanDerWaalsContact O-CD2 3.28Å; F241-Y245 WeakPolarHBondContact O-CD2 3.41Å; G242-Y245 PolarHBondContact O-N 2.71Å; A243-Y245 VanDerWaalsContact C-N 3.26Å; A243-Y245 PolarHBondContact O-N 2.73Å |
| 246 | G | 26.2 | Very low | 27.1 | Very low | 62 Ų | 62 | 103.1 Ų | 103.1 | 64% | 0.639 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75 | 26.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | G242 A243 P248 | G242-G246 PolarHBondContact O-N 3.24Å; A243-G246 PolarHBondContact O-N 3.4Å; G246-P248 WeakPolarHBondContact O-CD 3.45Å |
| 247 | F | 27.1 | Very low | 27.1 | Very low | 132 Ų | 132 | 98.5 Ų | 98.5 | 58% | 0.579 | 55% | 0.553 | S | S | * | * | | | trans | -90.7 | 105.2 | 177.3 | -70.8 | -79.9 | 0 | 0 | 0 | 112.3 | G242 N249 A250 | G242-F247 PolarHBondContact O-N 2.96Å; F247-N249 PolarHBondContact O-N 3.35Å; F247-A250 HydrophobicContact CB-CB 4.35Å |
| 248 | P | 28.5 | Very low | 27 | Very low | 115 Ų | 115 | 102.6 Ų | 102.6 | 75% | 0.747 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 123.5 | 165.3 | 30.1 | -32.8 | 0 | 0 | 0 | 108.8 | G246 | G246-P248 WeakPolarHBondContact O-CD 3.45Š|
| 249 | N | 26.7 | Very low | 26.6 | Very low | 152 Ų | 152 | 100.8 Ų | 100.8 | 81% | 0.813 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.4 | 36.4 | -179.3 | -53.4 | -41.8 | 0 | 0 | 0 | 118.4 | F247 K251 | F247-N249 PolarHBondContact O-N 3.35Å; N249-K251 PolarHBondContact O-N 2.73Å |
| 250 | A | 26.4 | Very low | 26.5 | Very low | 46 Ų | 46 | 101.1 Ų | 101.1 | 38% | 0.38 | 58% | 0.584 | S | S | . | * | | | trans | -70.8 | 71.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F247 V252 | F247-A250 HydrophobicContact CB-CB 4.35Å; A250-V252 VanDerWaalsContact C-N 3.27Å |
| 251 | K | 26.3 | Very low | 26.2 | Very low | 174 Ų | 174 | 101.4 Ų | 101.4 | 76% | 0.757 | 59% | 0.591 | S | S | * | * | | | trans | -76.6 | -11.2 | 171.9 | -90.4 | -172.7 | 178.5 | 178.8 | 0 | 113.6 | N249 | N249-K251 PolarHBondContact O-N 2.73Š|
| 252 | V | 24.3 | Very low | 25.9 | Very low | 122 Ų | 122 | 105.9 Ų | 105.9 | 74% | 0.739 | 61% | 0.61 | S | S | * | * | | | trans | -134.9 | 109.7 | -173.9 | -175.6 | 0 | 0 | 0 | 0 | 109 | A250 | A250-V252 VanDerWaalsContact C-N 3.27Š|
| 253 | F | 25.7 | Very low | 25.7 | Very low | 174 Ų | 174 | 114.6 Ų | 114.6 | 76% | 0.763 | 65% | 0.647 | S | S | * | * | | | trans | -174.7 | 84.8 | 154.5 | -96.3 | -62.3 | 0 | 0 | 0 | 107.9 | | |
| 254 | G | 24.2 | Very low | 25.4 | Very low | 68 Ų | 68 | 119.6 Ų | 119.6 | 70% | 0.701 | 66% | 0.659 | S | S | * | * | | | trans | -98.6 | 127.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 255 | M | 26.5 | Very low | 25 | Very low | 103 Ų | 103 | 120.2 Ų | 120.2 | 51% | 0.507 | 67% | 0.673 | S | S | . | * | | | trans | -86.6 | 126.4 | 164.4 | -56.8 | -169.5 | -64.7 | 0 | 0 | 108.2 | L237 C257 | L237-M255 HydrophobicContact CD1-CB 3.52Å; L237-M255 HydrophobicContact CD1-CE 3.54Å; L237-M255 HydrophobicContact CD1-CG 3.8Å; L237-M255 HydrophobicContact CD2-CE 4.27Å; M255-C257 PolarHBondContact O-N 2.83Å |
| 256 | L | 24.5 | Very low | 24.5 | Very low | 134 Ų | 134 | 120.8 Ų | 120.8 | 70% | 0.702 | 69% | 0.692 | S | S | * | * | | | trans | -78.4 | 106.8 | 166.8 | -82 | 153.9 | 0 | 0 | 0 | 108.3 | L258 | L256-L258 PolarHBondContact O-N 2.84Å; L256-L258 VanDerWaalsContact O-N 3.1Å |
| 257 | C | 23.6 | Very low | 24.5 | Very low | 66 Ų | 66 | 123.4 Ų | 123.4 | 45% | 0.446 | 70% | 0.698 | S | S | . | * | | | trans | -74.1 | 94.4 | 164.5 | -71.4 | 0 | 0 | 0 | 0 | 108.8 | M255 S259 | M255-C257 PolarHBondContact O-N 2.83Å; C257-S259 PolarHBondContact O-N 3.29Å |
| 258 | L | 21.7 | Very low | 24.2 | Very low | 143 Ų | 143 | 123.5 Ų | 123.5 | 75% | 0.749 | 71% | 0.709 | S | S | * | * | | | trans | -78.7 | 90.4 | 164.8 | -67.7 | 173.6 | 0 | 0 | 0 | 108.4 | L256 S260 | L256-L258 PolarHBondContact O-N 2.84Å; L256-L258 VanDerWaalsContact O-N 3.1Å; L258-S260 PolarHBondContact O-N 2.78Å; L258-S260 VanDerWaalsContact O-N 3.14Å |
| 259 | S | 22.1 | Very low | 23.8 | Very low | 74 Ų | 74 | 125.9 Ų | 125.9 | 52% | 0.517 | 72% | 0.715 | S | S | . | * | | | trans | -71.8 | 99.3 | 165.4 | 51.7 | 0 | 0 | 0 | 0 | 108.5 | C257 A261 | C257-S259 PolarHBondContact O-N 3.29Å; S259-A261 PolarHBondContact O-N 3.07Å |
| 260 | S | 23.1 | Very low | 24 | Very low | 118 Ų | 118 | 124.3 Ų | 124.3 | 83% | 0.825 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 116 | 173 | 42.9 | 0 | 0 | 0 | 0 | 109.9 | L258 | L258-S260 PolarHBondContact O-N 2.78Å; L258-S260 VanDerWaalsContact O-N 3.14Å |
| 261 | A | 22.1 | Very low | 23.9 | Very low | 67 Ų | 67 | 128.2 Ų | 128.2 | 55% | 0.554 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 148.5 | 160 | 0 | 0 | 0 | 0 | 0 | 108.7 | T230 S259 E263 | T230-A261 HydrophobicContact CG2-CB 3.99Å; S259-A261 PolarHBondContact O-N 3.07Å; A261-E263 PolarHBondContact O-N 3.29Å |
| 262 | K | 24.4 | Very low | 23.9 | Very low | 200 Ų | 200 | 127.3 Ų | 127.3 | 87% | 0.87 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 124.2 | -175.9 | -67.4 | 177 | 173.9 | -177.4 | 0 | 112.1 | | |
| 263 | E | 24.6 | Very low | 24 | Very low | 194 Ų | 194 | 127 Ų | 127 | 91% | 0.907 | 74% | 0.737 | S | S | * | * | | | trans | -91.2 | 98.7 | 169.6 | -166.1 | 170 | -136.9 | 0 | 0 | 108.5 | A261 S265 | A261-E263 PolarHBondContact O-N 3.29Å; E263-S265 PolarHBondContact O-N 2.97Å |
| 264 | E | 22.4 | Very low | 23.9 | Very low | 175 Ų | 175 | 123.8 Ų | 123.8 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | | | trans | -79 | 112.9 | 170.8 | -81.5 | -172.8 | 156.6 | 0 | 0 | 110.4 | | |
| 265 | S | 23 | Very low | 23.8 | Very low | 100 Ų | 100 | 128.4 Ų | 128.4 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 52.8 | 101.3 | 153.1 | 59.6 | 0 | 0 | 0 | 0 | 119.1 | E263 | E263-S265 PolarHBondContact O-N 2.97Š|
| 266 | S | 21.1 | Very low | 23.6 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | | 139.9 | 147.9 | 110.4 | 67.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 267 | P | 26.6 | Very low | 23.5 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | | | trans | -115.1 | 134 | -148.3 | 36.8 | -25 | 0 | 0 | 0 | 114.6 | | |
| 268 | T | 21 | Very low | 23.7 | Very low | 135 Ų | 135 | 133.7 Ų | 133.7 | 83% | 0.828 | 76% | 0.761 | S | S | * | * | | | trans | -156.6 | 136.4 | 154 | 6.6 | 0 | 0 | 0 | 0 | 113 | | |
| 269 | L | 20.6 | Very low | 23.8 | Very low | 165 Ų | 165 | 129.7 Ų | 129.7 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | | | trans | 84.5 | 113.5 | 165.8 | -57.7 | 164.8 | 0 | 0 | 0 | 119.1 | | |
| 270 | P | 30.8 | Very low | 23.9 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | | | trans | -87.1 | 153.4 | 155.2 | 37.2 | -32.2 | 0 | 0 | 0 | 110.5 | | |
| 271 | P | 23.5 | Very low | 24 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | | | | -150.7 | 151.5 | 90.2 | 38 | -19.7 | 0 | 0 | 0 | 117.1 | | |
| 272 | L | 25.8 | Very low | 24.3 | Very low | 155 Ų | 155 | 132.8 Ų | 132.8 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | | | trans | -85.4 | 170.3 | 153.5 | -71.2 | 156.4 | 0 | 0 | 0 | 108.7 | | |
| 273 | P | 27 | Very low | 24.3 | Very low | 115 Ų | 115 | 127.6 Ų | 127.6 | 75% | 0.747 | 75% | 0.752 | S | S | * | * | | | cis | -142.8 | 129.7 | 11.1 | 35.4 | -12.9 | 0 | 0 | 0 | 117.1 | | |
| 274 | S | 22.6 | Very low | 24.3 | Very low | 108 Ų | 108 | 121.3 Ų | 121.3 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -155.9 | 153.8 | 148.9 | 46.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 275 | D | 23.8 | Very low | 24.4 | Very low | 165 Ų | 165 | 119.7 Ų | 119.7 | 88% | 0.882 | 73% | 0.73 | S | S | * | * | | | trans | 68.7 | 63 | -176.7 | -54.4 | -20.4 | 0 | 0 | 0 | 116 | | |
| 276 | L | 21.4 | Very low | 24.6 | Very low | 141 Ų | 141 | 119.7 Ų | 119.7 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | | | trans | -78.4 | 143.4 | 170.2 | -143.2 | 73.2 | 0 | 0 | 0 | 111.4 | | |
| 277 | Y | 23.1 | Very low | 24.6 | Very low | 143 Ų | 143 | 122 Ų | 122 | 56% | 0.561 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 77.3 | 77.8 | 166.5 | -75.2 | -84.6 | 0 | 0 | 0 | 120.8 | Y303 | Y277-Y303 WeakPolarHBondContact CD1-OH 3.48Å; Y277-Y303 WeakPolarHBondContact CE1-OH 3.2Å |
| 278 | L | 26.1 | Very low | 24.6 | Very low | 129 Ų | 129 | 123 Ų | 123 | 68% | 0.675 | 72% | 0.722 | S | S | * | * | S | Bend | | -152.9 | 9.8 | 115.5 | -139.8 | 78.9 | 0 | 0 | 0 | 115.6 | | |
| 279 | G | 24 | Very low | 24.7 | Very low | 59 Ų | 59 | 126.8 Ų | 126.8 | 61% | 0.608 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -81.6 | -16.1 | -174 | 0 | 0 | 0 | 0 | 0 | 116.8 | V281 | G279-V281 PolarHBondContact O-N 2.74Š|
| 280 | T | 24.4 | Very low | 25 | Very low | 115 Ų | 115 | 124.9 Ų | 124.9 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 10 | -163.9 | 37.4 | 0 | 0 | 0 | 0 | 116.4 | | |
| 281 | V | 26.8 | Very low | 25 | Very low | 103 Ų | 103 | 125.6 Ų | 125.6 | 62% | 0.624 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | -12.2 | 175.8 | -174.9 | 0 | 0 | 0 | 0 | 112.8 | G279 | G279-V281 PolarHBondContact O-N 2.74Š|
| 282 | V | 27.8 | Very low | 25.3 | Very low | 106 Ų | 106 | 123.3 Ų | 123.3 | 64% | 0.642 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -129 | 21.6 | -172.6 | -156 | 0 | 0 | 0 | 0 | 112.7 | | |
| 283 | A | 24.6 | Very low | 25.6 | Very low | 92 Ų | 92 | 120.2 Ų | 120.2 | 76% | 0.76 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -102.4 | 18.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 284 | G | 23.8 | Very low | 25.8 | Very low | 61 Ų | 61 | 122.5 Ų | 122.5 | 63% | 0.629 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -134.7 | 20.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 285 | F | 25.4 | Very low | 26.4 | Very low | 142 Ų | 142 | 126.3 Ų | 126.3 | 62% | 0.623 | 69% | 0.687 | S | S | * | * | | | trans | -117.6 | 60 | -177.5 | -68.1 | -77.3 | 0 | 0 | 0 | 111.9 | | |
| 286 | S | 25.7 | Very low | 27.1 | Very low | 100 Ų | 100 | 122 Ų | 122 | 70% | 0.699 | 66% | 0.664 | S | S | * | * | | | trans | -73.1 | 136.6 | 147.4 | 50.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 287 | E | 22.7 | Very low | 28 | Very low | 164 Ų | 164 | 116.4 Ų | 116.4 | 77% | 0.766 | 64% | 0.64 | S | S | * | * | S | Bend | trans | 71 | 117.9 | 165.5 | -64.5 | 160.8 | -175.8 | 0 | 0 | 117.8 | R289 | E287-R289 VanDerWaalsContact C-N 3.32Å; E287-R289 PolarHBondContact O-N 2.91Å |
| 288 | Q | 25 | Very low | 28.9 | Very low | 140 Ų | 140 | 113.1 Ų | 113.1 | 65% | 0.654 | 64% | 0.636 | S | S | * | * | S | Bend | trans | 56.5 | -8.8 | 151 | -71.2 | 169 | -20.7 | 0 | 0 | 122.3 | D32 C290 | D32-Q288 PolarHBondContact OD1-NE2 2.93Å; D32-Q288 PolarHBondContact OD2-NE2 3.09Å; Q288-C290 PolarHBondContact O-N 3.33Å |
| 289 | R | 23.8 | Very low | 29.5 | Very low | 213 Ų | 213 | 116 Ų | 116 | 80% | 0.804 | 64% | 0.638 | S | S | * | * | | | trans | -88.5 | 107.3 | -177.4 | -68.3 | -170.3 | 176.4 | -175.7 | -0.4 | 114.2 | E287 I291 | E287-R289 VanDerWaalsContact C-N 3.32Å; E287-R289 PolarHBondContact O-N 2.91Å; R289-I291 PolarHBondContact O-N 3.4Å |
| 290 | C | 26.5 | Very low | 30.3 | Very low | 126 Ų | 126 | 116.4 Ų | 116.4 | 85% | 0.851 | 63% | 0.628 | S | S | * | * | | | trans | -47.5 | 134.9 | 166.4 | -71.5 | 0 | 0 | 0 | 0 | 111.5 | Q288 D292 | Q288-C290 PolarHBondContact O-N 3.33Å; C290-D292 PolarHBondContact O-N 3.17Å |
| 291 | I | 31.4 | Very low | 30.9 | Very low | 133 Ų | 133 | 119.6 Ų | 119.6 | 68% | 0.682 | 63% | 0.628 | S | S | * | * | | | trans | -68.7 | 106.8 | 178.9 | -61.4 | 173.3 | 0 | 0 | 0 | 108.6 | R289 S293 L296 | R289-I291 PolarHBondContact O-N 3.4Å; I291-S293 VanDerWaalsContact C-N 3.31Å; I291-S293 PolarHBondContact O-N 2.95Å; I291-L296 HydrophobicContact CG2-CD2 4.04Å |
| 292 | D | 29.6 | Very low | 31.6 | Very low | 79 Ų | 79 | 121.4 Ų | 121.4 | 42% | 0.422 | 63% | 0.629 | S | S | . | * | | | trans | -66.3 | 90.5 | 172.7 | -176.9 | 0.6 | 0 | 0 | 0 | 110 | C290 E294 R295 L296 | C290-D292 PolarHBondContact O-N 3.17Å; D292-E294 PolarHBondContact O-N 3.4Å; D292-E294 PolarHBondContact OD1-N 2.96Å; D292-R295 PolarHBondContact O-N 2.84Å; D292-R295 WeakPolarHBondContact OD2-CD 3.38Å; D292-R295 WeakPolarHBondContact OD2-CG 3.24Å; D292-R295 IonicContact OD2-NE 3.18Å; D292-L296 PolarHBondContact O-N 2.88Å |
| 293 | S | 32.1 | Very low | 32.1 | Very low | 90 Ų | 90 | 121.1 Ų | 121.1 | 63% | 0.629 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -62.4 | -25.2 | -173.8 | 69.2 | 0 | 0 | 0 | 0 | 113.1 | I291 R295 G297 | I291-S293 VanDerWaalsContact C-N 3.31Å; I291-S293 PolarHBondContact O-N 2.95Å; S293-R295 VanDerWaalsContact C-N 3.31Å; S293-R295 PolarHBondContact O-N 3.06Å; S293-G297 PolarHBondContact O-N 3.32Å |
| 294 | E | 32.1 | Very low | 32.7 | Very low | 163 Ų | 163 | 119.3 Ų | 119.3 | 76% | 0.762 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69 | -29.6 | 176 | -60 | -160.7 | 152.9 | 0 | 0 | 112.2 | D292 P298 | D292-E294 PolarHBondContact O-N 3.4Å; D292-E294 PolarHBondContact OD1-N 2.96Å; E294-P298 WeakPolarHBondContact O-CD 3.13Å; E294-P298 WeakPolarHBondContact O-CG 3.28Å |
| 295 | R | 34.9 | Very low | 33.4 | Very low | 189 Ų | 189 | 121.5 Ų | 121.5 | 71% | 0.713 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -89.1 | -30.6 | 176.9 | -72.2 | -175.1 | 171.9 | -177.9 | -4.1 | 113.7 | D292 S293 | D292-R295 PolarHBondContact O-N 2.84Å; D292-R295 WeakPolarHBondContact OD2-CD 3.38Å; D292-R295 WeakPolarHBondContact OD2-CG 3.24Å; D292-R295 IonicContact OD2-NE 3.18Å; S293-R295 VanDerWaalsContact C-N 3.31Å; S293-R295 PolarHBondContact O-N 3.06Å |
| 296 | L | 38.2 | Very low | 34.1 | Very low | 75 Ų | 75 | 122.8 Ų | 122.8 | 39% | 0.393 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -71.9 | -44.9 | 179.8 | -167.9 | 71.7 | 0 | 0 | 0 | 111.8 | I291 D292 R299 V300 | I291-L296 HydrophobicContact CG2-CD2 4.04Å; D292-L296 PolarHBondContact O-N 2.88Å; L296-R299 PolarHBondContact O-N 3.06Å; L296-V300 HydrophobicContact CD1-CG2 4.48Å; L296-V300 HydrophobicContact CG-CG2 4.25Å; L296-V300 WeakPolarHBondContact O-CG2 3.42Å; L296-V300 PolarHBondContact O-N 2.84Å |
| 297 | G | 40.9 | Very low | 34.4 | Very low | 22 Ų | 22 | 124.5 Ų | 124.5 | 23% | 0.227 | 60% | 0.597 | C | S | . | * | H | α-helix | trans | -53.8 | -54.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S293 R299 V300 R301 | S293-G297 PolarHBondContact O-N 3.32Å; G297-R299 VanDerWaalsContact C-N 3.34Å; G297-R299 PolarHBondContact O-N 2.76Å; G297-V300 PolarHBondContact O-N 3.39Å; G297-R301 WeakPolarHBondContact O-CB 3.33Å; G297-R301 PolarHBondContact O-N 2.68Å |
| 298 | P | 40.4 | Very low | 34.9 | Very low | 75 Ų | 75 | 123.3 Ų | 123.3 | 49% | 0.487 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.9 | -36 | 178.3 | -26 | 35.9 | 0 | 0 | 0 | 113.9 | E294 R301 Q302 | E294-P298 WeakPolarHBondContact O-CD 3.13Å; E294-P298 WeakPolarHBondContact O-CG 3.28Å; P298-R301 PolarHBondContact O-N 3.43Å; P298-Q302 WeakPolarHBondContact O-CB 3.28Å; P298-Q302 PolarHBondContact O-N 3.37Å |
| 299 | R | 39 | Very low | 35.3 | Very low | 188 Ų | 188 | 124 Ų | 124 | 71% | 0.709 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69 | -45.2 | 177.7 | -79.5 | -173.8 | 169.9 | -170 | -1.6 | 112.3 | L296 G297 R301 Q302 Y303 | L296-R299 PolarHBondContact O-N 3.06Å; G297-R299 VanDerWaalsContact C-N 3.34Å; G297-R299 PolarHBondContact O-N 2.76Å; R299-R301 VanDerWaalsContact C-N 3.28Å; R299-R301 PolarHBondContact O-N 3.01Å; R299-Q302 PolarHBondContact O-N 3.46Å; R299-Y303 WeakPolarHBondContact O-CB 3.37Å; R299-Y303 PolarHBondContact O-N 3.18Å |
| 300 | V | 41.8 | Very low | 35.4 | Very low | 68 Ų | 68 | 119.7 Ų | 119.7 | 41% | 0.412 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.5 | -39.3 | 174.5 | 175 | 0 | 0 | 0 | 0 | 110.5 | L296 G297 Y303 A304 | L296-V300 HydrophobicContact CD1-CG2 4.48Å; L296-V300 HydrophobicContact CG-CG2 4.25Å; L296-V300 WeakPolarHBondContact O-CG2 3.42Å; L296-V300 PolarHBondContact O-N 2.84Å; G297-V300 PolarHBondContact O-N 3.39Å; V300-Y303 PolarHBondContact O-N 3.1Å; V300-A304 WeakPolarHBondContact O-CB 3.46Å; V300-A304 PolarHBondContact O-N 3.38Å |
| 301 | R | 35.9 | Very low | 35.5 | Very low | 183 Ų | 183 | 117.5 Ų | 117.5 | 69% | 0.691 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.2 | -43.8 | 176.4 | -148 | 175.3 | -161.2 | 176.8 | 5.3 | 112.3 | G297 P298 R299 Y303 A304 L305 | G297-R301 WeakPolarHBondContact O-CB 3.33Å; G297-R301 PolarHBondContact O-N 2.68Å; P298-R301 PolarHBondContact O-N 3.43Å; R299-R301 VanDerWaalsContact C-N 3.28Å; R299-R301 PolarHBondContact O-N 3.01Å; R301-Y303 VanDerWaalsContact C-N 3.32Å; R301-Y303 PolarHBondContact O-N 2.99Å; R301-A304 PolarHBondContact O-N 3.35Å; R301-L305 HydrophobicContact CG-CD1 4.5Å; R301-L305 WeakPolarHBondContact O-CB 3.5Å; R301-L305 WeakPolarHBondContact O-CD1 3.35Å; R301-L305 WeakPolarHBondContact O-CG 3.43Å; R301-L305 PolarHBondContact O-N 3.36Å |
| 302 | Q | 41.8 | Very low | 35.5 | Very low | 141 Ų | 141 | 122.7 Ų | 122.7 | 66% | 0.659 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61 | -39.3 | 171.9 | -91.4 | -172.4 | -18.9 | 0 | 0 | 112 | P298 R299 L305 K306 | P298-Q302 WeakPolarHBondContact O-CB 3.28Å; P298-Q302 PolarHBondContact O-N 3.37Å; R299-Q302 PolarHBondContact O-N 3.46Å; Q302-L305 PolarHBondContact O-N 3.14Å; Q302-K306 WeakPolarHBondContact O-CB 3.45Å; Q302-K306 PolarHBondContact O-N 3.34Å |
| 303 | Y | 39.2 | Very low | 35.4 | Very low | 99 Ų | 99 | 122.4 Ų | 122.4 | 39% | 0.388 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.1 | -48.2 | 176.8 | -145.9 | -91.6 | 0 | 0 | 0 | 110.9 | Y277 R299 V300 R301 L305 K306 Y307 | Y277-Y303 WeakPolarHBondContact CD1-OH 3.48Å; Y277-Y303 WeakPolarHBondContact CE1-OH 3.2Å; R299-Y303 WeakPolarHBondContact O-CB 3.37Å; R299-Y303 PolarHBondContact O-N 3.18Å; V300-Y303 PolarHBondContact O-N 3.1Å; R301-Y303 VanDerWaalsContact C-N 3.32Å; R301-Y303 PolarHBondContact O-N 2.99Å; Y303-L305 VanDerWaalsContact C-N 3.3Å; Y303-L305 PolarHBondContact O-N 2.79Å; Y303-K306 PolarHBondContact O-N 3.05Å; Y303-Y307 AromaticContact CD1-CD2 3.57Å; Y303-Y307 HydrophobicContact CD1-CD2 3.57Å; Y303-Y307 AromaticContact CD1-CE2 3.78Å; Y303-Y307 HydrophobicContact CD1-CE2 3.78Å; Y303-Y307 HydrophobicContact CD2-CE2 4.39Å; Y303-Y307 AromaticContact CE1-CD2 3.51Å; Y303-Y307 HydrophobicContact CE1-CD2 3.51Å; Y303-Y307 AromaticContact CE1-CE2 3.3Å; Y303-Y307 HydrophobicContact CE1-CE2 3.3Å; Y303-Y307 AromaticContact CE2-CE2 3.98Å; Y303-Y307 HydrophobicContact CE2-CE2 3.98Å; Y303-Y307 HydrophobicContact CG-CD2 4.21Å; Y303-Y307 HydrophobicContact CG-CE2 4.3Å; Y303-Y307 AromaticContact CZ-CE2 3.41Å; Y303-Y307 VanDerWaalsContact CZ-CE2 3.41Å; Y303-Y307 WeakPolarHBondContact O-CD2 3.47Å; Y303-Y307 PolarHBondContact O-N 3.39Å |
| 304 | A | 36.6 | Very low | 35.2 | Very low | 54 Ų | 54 | 122.5 Ų | 122.5 | 45% | 0.446 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61 | -36.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | V300 R301 Q308 | V300-A304 WeakPolarHBondContact O-CB 3.46Å; V300-A304 PolarHBondContact O-N 3.38Å; R301-A304 PolarHBondContact O-N 3.35Å; A304-Q308 WeakPolarHBondContact O-CB 3.37Å; A304-Q308 PolarHBondContact O-N 2.98Å |
| 305 | L | 37.3 | Very low | 35.1 | Very low | 107 Ų | 107 | 120 Ų | 120 | 56% | 0.56 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -72.8 | -37 | 174.3 | -70.4 | 167.3 | 0 | 0 | 0 | 112.4 | R301 Q302 Y303 Y307 Q308 | R301-L305 HydrophobicContact CG-CD1 4.5Å; R301-L305 WeakPolarHBondContact O-CB 3.5Å; R301-L305 WeakPolarHBondContact O-CD1 3.35Å; R301-L305 WeakPolarHBondContact O-CG 3.43Å; R301-L305 PolarHBondContact O-N 3.36Å; Q302-L305 PolarHBondContact O-N 3.14Å; Y303-L305 VanDerWaalsContact C-N 3.3Å; Y303-L305 PolarHBondContact O-N 2.79Å; L305-Y307 VanDerWaalsContact C-N 3.34Å; L305-Q308 WeakPolarHBondContact O-CB 3.26Å; L305-Q308 PolarHBondContact O-N 2.75Å |
| 306 | K | 40.2 | Very low | 34.9 | Very low | 170 Ų | 170 | 115.3 Ų | 115.3 | 74% | 0.739 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -71.2 | -28.7 | 178.1 | -170.4 | 177.8 | -177.6 | -175.8 | 0 | 112.9 | Q302 Y303 | Q302-K306 WeakPolarHBondContact O-CB 3.45Å; Q302-K306 PolarHBondContact O-N 3.34Å; Y303-K306 PolarHBondContact O-N 3.05Å |
| 307 | Y | 33.5 | Very low | 34.5 | Very low | 136 Ų | 136 | 119 Ų | 119 | 53% | 0.533 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.4 | 11.1 | 174.1 | -71.1 | -85.5 | 0 | 0 | 0 | 113.3 | Y303 L305 Q309 | Y303-Y307 AromaticContact CD1-CD2 3.57Å; Y303-Y307 HydrophobicContact CD1-CD2 3.57Å; Y303-Y307 AromaticContact CD1-CE2 3.78Å; Y303-Y307 HydrophobicContact CD1-CE2 3.78Å; Y303-Y307 HydrophobicContact CD2-CE2 4.39Å; Y303-Y307 AromaticContact CE1-CD2 3.51Å; Y303-Y307 HydrophobicContact CE1-CD2 3.51Å; Y303-Y307 AromaticContact CE1-CE2 3.3Å; Y303-Y307 HydrophobicContact CE1-CE2 3.3Å; Y303-Y307 AromaticContact CE2-CE2 3.98Å; Y303-Y307 HydrophobicContact CE2-CE2 3.98Å; Y303-Y307 HydrophobicContact CG-CD2 4.21Å; Y303-Y307 HydrophobicContact CG-CE2 4.3Å; Y303-Y307 AromaticContact CZ-CE2 3.41Å; Y303-Y307 VanDerWaalsContact CZ-CE2 3.41Å; Y303-Y307 WeakPolarHBondContact O-CD2 3.47Å; Y303-Y307 PolarHBondContact O-N 3.39Å; L305-Y307 VanDerWaalsContact C-N 3.34Å; Y307-Q309 VanDerWaalsContact C-N 3.26Å; Y307-Q309 PolarHBondContact O-N 3.14Å |
| 308 | Q | 33.2 | Very low | 33.9 | Very low | 138 Ų | 138 | 125.3 Ų | 125.3 | 65% | 0.645 | 62% | 0.62 | S | S | * | * | | | trans | -71.7 | 86.9 | 167.5 | -136.7 | 176.9 | 14.5 | 0 | 0 | 107.7 | A304 L305 P310 | A304-Q308 WeakPolarHBondContact O-CB 3.37Å; A304-Q308 PolarHBondContact O-N 2.98Å; L305-Q308 WeakPolarHBondContact O-CB 3.26Å; L305-Q308 PolarHBondContact O-N 2.75Å; Q308-P310 WeakPolarHBondContact O-CD 3.4Å |
| 309 | Q | 33 | Very low | 33.3 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 72% | 0.72 | 63% | 0.625 | S | S | * | * | | | trans | -56.1 | 123.2 | -177.1 | -76.9 | -170 | -12.1 | 0 | 0 | 110.4 | Y307 A311 | Y307-Q309 VanDerWaalsContact C-N 3.26Å; Y307-Q309 PolarHBondContact O-N 3.14Å; Q309-A311 PolarHBondContact O-N 3.04Å |
| 310 | P | 26.6 | Very low | 32.7 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 81% | 0.805 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -67.9 | 132.7 | 165.4 | 30.1 | -32 | 0 | 0 | 0 | 108 | Q308 | Q308-P310 WeakPolarHBondContact O-CD 3.4Š|
| 311 | A | 27.5 | Very low | 31.9 | Very low | 80 Ų | 80 | 130 Ų | 130 | 66% | 0.661 | 65% | 0.647 | S | S | * | * | S | Bend | trans | 60.6 | 114.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q309 P313 | Q309-A311 PolarHBondContact O-N 3.04Å; A311-P313 VanDerWaalsContact O-CD 3.26Å; A311-P313 WeakPolarHBondContact O-CD 3.5Å |
| 312 | R | 31.1 | Very low | 31.4 | Very low | 242 Ų | 242 | 128 Ų | 128 | 91% | 0.913 | 65% | 0.649 | S | S | * | * | | | trans | -57.1 | 120.2 | 147.3 | -77.3 | 177.9 | 170 | 177.4 | -4.5 | 106.9 | | |
| 313 | P | 27.9 | Very low | 30.7 | Very low | 73 Ų | 73 | 126.4 Ų | 126.4 | 47% | 0.474 | 65% | 0.651 | S | S | . | * | | | trans | -62.5 | 148.7 | 163.4 | -13.5 | 29.2 | 0 | 0 | 0 | 108 | A311 V315 | A311-P313 VanDerWaalsContact O-CD 3.26Å; A311-P313 WeakPolarHBondContact O-CD 3.5Å; P313-V315 VanDerWaalsContact C-N 3.31Å; P313-V315 PolarHBondContact O-N 3.01Å |
| 314 | D | 28.2 | Very low | 30 | Very low | 92 Ų | 92 | 133.6 Ų | 133.6 | 49% | 0.492 | 68% | 0.677 | S | S | . | * | | | trans | -58.7 | 97.1 | 163.4 | -105.9 | -33.7 | 0 | 0 | 0 | 108.2 | S316 K317 | D314-S316 PolarHBondContact O-N 3.18Å; D314-S316 PolarHBondContact OD1-OG 2.91Å; D314-K317 HydrophobicContact CB-CB 4.26Å; D314-K317 HydrophobicContact CB-CD 3.77Å; D314-K317 HydrophobicContact CB-CG 4.02Å; D314-K317 PolarHBondContact O-N 3.35Å; D314-K317 WeakPolarHBondContact OD2-CE 3.11Å; D314-K317 IonicContact OD2-NZ 2.68Å; D314-K317 PolarHBondContact OD2-NZ 3.35Å |
| 315 | V | 30.1 | Very low | 29.5 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 66% | 0.661 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -61.9 | -18.3 | 178.6 | -172.2 | 0 | 0 | 0 | 0 | 110.7 | P313 K317 | P313-V315 VanDerWaalsContact C-N 3.31Å; P313-V315 PolarHBondContact O-N 3.01Å; V315-K317 VanDerWaalsContact C-N 3.26Å; V315-K317 PolarHBondContact O-N 3.21Å |
| 316 | S | 30.3 | Very low | 29 | Very low | 92 Ų | 92 | 140.4 Ų | 140.4 | 64% | 0.643 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -63.7 | -17.9 | 168.5 | 58.2 | 0 | 0 | 0 | 0 | 115.3 | D314 | D314-S316 PolarHBondContact O-N 3.18Å; D314-S316 PolarHBondContact OD1-OG 2.91Å |
| 317 | K | 30.2 | Very low | 28.4 | Very low | 151 Ų | 151 | 142 Ų | 142 | 66% | 0.657 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -107.1 | -7.4 | -174.2 | -70.3 | 173.9 | -176.9 | 151.2 | 0 | 114.9 | D314 V315 | D314-K317 HydrophobicContact CB-CB 4.26Å; D314-K317 HydrophobicContact CB-CD 3.77Å; D314-K317 HydrophobicContact CB-CG 4.02Å; D314-K317 PolarHBondContact O-N 3.35Å; D314-K317 WeakPolarHBondContact OD2-CE 3.11Å; D314-K317 IonicContact OD2-NZ 2.68Å; D314-K317 PolarHBondContact OD2-NZ 3.35Å; V315-K317 VanDerWaalsContact C-N 3.26Å; V315-K317 PolarHBondContact O-N 3.21Å |
| 318 | H | 28.2 | Very low | 28.3 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 72% | 0.722 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -121 | 16.5 | -177.7 | -76.6 | -33.6 | 0 | 0 | 0 | 115 | P320 | H318-P320 WeakPolarHBondContact O-CD 3.35Š|
| 319 | I | 27.8 | Very low | 28.1 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 60% | 0.6 | 71% | 0.706 | S | S | * | * | | | trans | -83.1 | 105.5 | 163.4 | -61.8 | 170 | 0 | 0 | 0 | 107.5 | | |
| 320 | P | 26.3 | Very low | 28 | Very low | 99 Ų | 99 | 139.2 Ų | 139.2 | 64% | 0.643 | 71% | 0.709 | S | S | * | * | | | trans | -60.1 | 141.4 | 163.1 | 28.9 | -34.1 | 0 | 0 | 0 | 107.8 | H318 L322 | H318-P320 WeakPolarHBondContact O-CD 3.35Å; P320-L322 VanDerWaalsContact C-N 3.27Å; P320-L322 PolarHBondContact O-N 3.09Å |
| 321 | K | 25.2 | Very low | 28.1 | Very low | 213 Ų | 213 | 140.6 Ų | 140.6 | 93% | 0.926 | 71% | 0.705 | S | S | * | * | | | trans | -61 | 82 | -174.3 | -66.2 | 176.2 | 179.1 | 175.6 | 0 | 112.1 | | |
| 322 | L | 25.3 | Very low | 28.2 | Very low | 142 Ų | 142 | 145.3 Ų | 145.3 | 74% | 0.743 | 71% | 0.705 | S | S | * | * | | | trans | -70 | 140 | 165.3 | -79.9 | 158.8 | 0 | 0 | 0 | 108.4 | P320 | P320-L322 VanDerWaalsContact C-N 3.27Å; P320-L322 PolarHBondContact O-N 3.09Å |
| 323 | P | 26.4 | Very low | 28 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 69% | 0.688 | 70% | 0.696 | S | S | * | * | | | trans | -64.5 | 150.3 | -177.2 | 28.6 | -34.5 | 0 | 0 | 0 | 110 | L325 | P323-L325 PolarHBondContact O-N 2.98Š|
| 324 | R | 25 | Very low | 28 | Very low | 250 Ų | 250 | 145 Ų | 145 | 94% | 0.943 | 71% | 0.705 | S | S | * | * | | | trans | -52 | 102.6 | 178.7 | -68.5 | 171.9 | 173.7 | 154.9 | -5.5 | 110.6 | | |
| 325 | L | 25.5 | Very low | 28 | Very low | 142 Ų | 142 | 144.2 Ų | 144.2 | 74% | 0.743 | 70% | 0.703 | S | S | * | * | | | trans | -88.5 | 125.2 | 155 | -86.4 | 155.1 | 0 | 0 | 0 | 106.6 | P323 | P323-L325 PolarHBondContact O-N 2.98Š|
| 326 | E | 26.9 | Very low | 27.8 | Very low | 163 Ų | 163 | 144.7 Ų | 144.7 | 76% | 0.762 | 70% | 0.702 | S | S | * | * | | | trans | -71.1 | 170.7 | -178.4 | -62.2 | 177.6 | 146 | 0 | 0 | 110.8 | N328 | E326-N328 PolarHBondContact O-N 2.76Š|
| 327 | E | 28.9 | Very low | 27.6 | Very low | 203 Ų | 203 | 144.3 Ų | 144.3 | 95% | 0.949 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 23.6 | -166.9 | -67.8 | 170.2 | 111.6 | 0 | 0 | 116.8 | | |
| 328 | N | 30 | Very low | 27.5 | Very low | 128 Ų | 128 | 140 Ų | 140 | 68% | 0.684 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | -1.6 | -169.3 | -86.6 | -48.4 | 0 | 0 | 0 | 116.7 | E326 | E326-N328 PolarHBondContact O-N 2.76Š|
| 329 | D | 29.5 | Very low | 27.3 | Very low | 73 Ų | 73 | 136.5 Ų | 136.5 | 39% | 0.39 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -100.4 | -8.1 | -173.7 | -87 | -39.5 | 0 | 0 | 0 | 116.3 | R332 Y333 | D329-R332 PolarHBondContact O-N 2.79Å; D329-R332 WeakPolarHBondContact OD1-CD 3.41Å; D329-Y333 PolarHBondContact O-N 3.1Å |
| 330 | E | 30.5 | Very low | 27.2 | Very low | 168 Ų | 168 | 134.6 Ų | 134.6 | 79% | 0.785 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -68.4 | -34.6 | 173.8 | -72.2 | -155.2 | 156.1 | 0 | 0 | 112.5 | R332 Y333 L334 | E330-R332 VanDerWaalsContact C-N 3.35Å; E330-Y333 PolarHBondContact O-N 2.81Å; E330-L334 PolarHBondContact O-N 3.16Å |
| 331 | E | 29.6 | Very low | 27.1 | Very low | 153 Ų | 153 | 136.6 Ų | 136.6 | 72% | 0.715 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -69.2 | -32.6 | 176.9 | -64.9 | -160.1 | 145.6 | 0 | 0 | 112.4 | L334 T335 | E331-L334 PolarHBondContact O-N 3.27Å; E331-T335 WeakPolarHBondContact O-CB 3.33Å; E331-T335 PolarHBondContact O-N 3.48Å; E331-T335 PolarHBondContact O-OG1 2.74Å |
| 332 | R | 29.3 | Very low | 27.2 | Very low | 180 Ų | 180 | 133.3 Ų | 133.3 | 68% | 0.679 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -65 | -40.8 | 176.8 | -105.3 | 179.1 | 168.6 | -178.2 | -2.7 | 112.5 | D329 E330 T335 L336 | D329-R332 PolarHBondContact O-N 2.79Å; D329-R332 WeakPolarHBondContact OD1-CD 3.41Å; E330-R332 VanDerWaalsContact C-N 3.35Å; R332-T335 PolarHBondContact O-N 3.24Å; R332-L336 PolarHBondContact O-N 2.59Å |
| 333 | Y | 26.8 | Very low | 27 | Very low | 182 Ų | 182 | 130.9 Ų | 130.9 | 71% | 0.714 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -68.1 | -38.3 | 178 | -158 | -95.5 | 0 | 0 | 0 | 111.9 | D329 E330 V337 | D329-Y333 PolarHBondContact O-N 3.1Å; E330-Y333 PolarHBondContact O-N 2.81Å; Y333-V337 WeakPolarHBondContact O-CG2 3.47Å; Y333-V337 PolarHBondContact O-N 2.59Å |
| 334 | L | 28.4 | Very low | 26.9 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 65% | 0.654 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -68.1 | -32.8 | 173.6 | -77.6 | 164.5 | 0 | 0 | 0 | 113 | E330 E331 S338 | E330-L334 PolarHBondContact O-N 3.16Å; E331-L334 PolarHBondContact O-N 3.27Å; L334-S338 PolarHBondContact O-N 3.28Å; L334-S338 PolarHBondContact O-OG 3.44Å |
| 335 | T | 27.8 | Very low | 26.9 | Very low | 76 Ų | 76 | 128.6 Ų | 128.6 | 47% | 0.466 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -72.7 | -40.7 | 178.8 | -53.4 | 0 | 0 | 0 | 0 | 111.9 | E331 R332 V337 S338 T339 | E331-T335 WeakPolarHBondContact O-CB 3.33Å; E331-T335 PolarHBondContact O-N 3.48Å; E331-T335 PolarHBondContact O-OG1 2.74Å; R332-T335 PolarHBondContact O-N 3.24Å; T335-V337 VanDerWaalsContact C-N 3.35Å; T335-V337 PolarHBondContact O-N 3.21Å; T335-S338 WeakPolarHBondContact CA-OG 3.44Å; T335-S338 PolarHBondContact O-N 2.79Å; T335-S338 PolarHBondContact O-OG 3.27Å; T335-S338 VanDerWaalsContact O-OG 3.12Å; T335-T339 HydrophobicContact CG2-CG2 4.28Å; T335-T339 PolarHBondContact O-N 3.19Å; T335-T339 PolarHBondContact O-OG1 2.69Å |
| 336 | L | 26.4 | Very low | 26.7 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 63% | 0.628 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -64.8 | -33.6 | 177.3 | -89.5 | 156.9 | 0 | 0 | 0 | 114 | R332 S340 | R332-L336 PolarHBondContact O-N 2.59Å; L336-S340 PolarHBondContact O-OG 3.14Å |
| 337 | V | 26.5 | Very low | 26.5 | Very low | 83 Ų | 83 | 129.1 Ų | 129.1 | 50% | 0.503 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -78.5 | -21.7 | 177.1 | 177.7 | 0 | 0 | 0 | 0 | 112.2 | Y333 T335 | Y333-V337 WeakPolarHBondContact O-CG2 3.47Å; Y333-V337 PolarHBondContact O-N 2.59Å; T335-V337 VanDerWaalsContact C-N 3.35Å; T335-V337 PolarHBondContact O-N 3.21Å |
| 338 | S | 26.5 | Very low | 26.2 | Very low | 61 Ų | 61 | 127.2 Ų | 127.2 | 43% | 0.427 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -93.5 | -28.2 | 178.6 | 47.3 | 0 | 0 | 0 | 0 | 113.9 | L334 T335 | L334-S338 PolarHBondContact O-N 3.28Å; L334-S338 PolarHBondContact O-OG 3.44Å; T335-S338 WeakPolarHBondContact CA-OG 3.44Å; T335-S338 PolarHBondContact O-N 2.79Å; T335-S338 PolarHBondContact O-OG 3.27Å; T335-S338 VanDerWaalsContact O-OG 3.12Å |
| 339 | T | 25 | Very low | 25.8 | Very low | 83 Ų | 83 | 127 Ų | 127 | 51% | 0.509 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -75.4 | -25.6 | 174 | 49.1 | 0 | 0 | 0 | 0 | 113.7 | T335 M341 | T335-T339 HydrophobicContact CG2-CG2 4.28Å; T335-T339 PolarHBondContact O-N 3.19Å; T335-T339 PolarHBondContact O-OG1 2.69Å; T339-M341 PolarHBondContact O-N 2.83Å |
| 340 | S | 25.5 | Very low | 25.4 | Very low | 76 Ų | 76 | 127.9 Ų | 127.9 | 53% | 0.531 | 68% | 0.68 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82 | -1.2 | -178.7 | 49 | 0 | 0 | 0 | 0 | 115.7 | L336 | L336-S340 PolarHBondContact O-OG 3.14Š|
| 341 | M | 24.7 | Very low | 25.1 | Very low | 142 Ų | 142 | 128 Ų | 128 | 70% | 0.7 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.5 | 6.2 | 178 | -67.7 | -159.6 | 175.5 | 0 | 0 | 115 | T339 | T339-M341 PolarHBondContact O-N 2.83Š|
| 342 | I | 25.9 | Very low | 24.7 | Very low | 143 Ų | 143 | 124.1 Ų | 124.1 | 73% | 0.733 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | -15.6 | -178.7 | -66.1 | 176.2 | 0 | 0 | 0 | 112.2 | N344 | I342-N344 PolarHBondContact O-N 2.84Š|
| 343 | S | 23 | Very low | 24.4 | Very low | 91 Ų | 91 | 120.4 Ų | 120.4 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 65.8 | 177.4 | 60.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 344 | N | 24.3 | Very low | 24.2 | Very low | 155 Ų | 155 | 117 Ų | 117 | 83% | 0.829 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -169.2 | 29.8 | 159.3 | -103.6 | -21.1 | 0 | 0 | 0 | 115.5 | I342 | I342-N344 PolarHBondContact O-N 2.84Š|
| 345 | L | 23.4 | Very low | 23.9 | Very low | 154 Ų | 154 | 119.6 Ų | 119.6 | 81% | 0.806 | 71% | 0.705 | S | S | * | * | | | trans | -106.6 | 88.1 | 164.8 | -75 | 175.4 | 0 | 0 | 0 | 110.1 | F347 | L345-F347 PolarHBondContact O-N 2.8Å; L345-F347 VanDerWaalsContact O-N 3.12Å |
| 346 | T | 22.6 | Very low | 23.8 | Very low | 132 Ų | 132 | 121.9 Ų | 121.9 | 81% | 0.81 | 72% | 0.721 | S | S | * | * | | | trans | -60.1 | 107 | 167.7 | 47.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 347 | F | 22.6 | Very low | 23.7 | Very low | 183 Ų | 183 | 122.2 Ų | 122.2 | 80% | 0.803 | 73% | 0.728 | S | S | * | * | | | trans | -72.2 | 125.1 | 163 | -77.6 | -93.5 | 0 | 0 | 0 | 108.8 | L345 S349 | L345-F347 PolarHBondContact O-N 2.8Å; L345-F347 VanDerWaalsContact O-N 3.12Å; F347-S349 PolarHBondContact O-N 3.26Å; F347-S349 VanDerWaalsContact O-N 3.14Å |
| 348 | L | 22.1 | Very low | 23.5 | Very low | 164 Ų | 164 | 122.4 Ų | 122.4 | 86% | 0.859 | 74% | 0.738 | S | S | * | * | | | trans | -73.5 | 103.1 | 174.5 | -85 | 166.4 | 0 | 0 | 0 | 110.2 | S350 | L348-S350 PolarHBondContact O-N 3.36Å; L348-S350 VanDerWaalsContact O-N 3.13Å |
| 349 | S | 21.6 | Very low | 23.5 | Very low | 124 Ų | 124 | 125.3 Ų | 125.3 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | | | trans | -74.7 | 90.9 | 174.9 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | F347 | F347-S349 PolarHBondContact O-N 3.26Å; F347-S349 VanDerWaalsContact O-N 3.14Å |
| 350 | S | 21.7 | Very low | 23.6 | Very low | 90 Ų | 90 | 130.3 Ų | 130.3 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | | | trans | -163 | 127.2 | 171 | 58.2 | 0 | 0 | 0 | 0 | 110 | L348 | L348-S350 PolarHBondContact O-N 3.36Å; L348-S350 VanDerWaalsContact O-N 3.13Å |
| 351 | I | 23.1 | Very low | 23.6 | Very low | 170 Ų | 170 | 134.2 Ų | 134.2 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | S | Bend | cis | -148.8 | 142 | 4.8 | -85.3 | 135.6 | 0 | 0 | 0 | 107.8 | | |
| 352 | G | 21.7 | Very low | 23.7 | Very low | 72 Ų | 72 | 134.8 Ų | 134.8 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | | | trans | 99.4 | 89.4 | 150.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 353 | A | 23.3 | Very low | 23.6 | Very low | 103 Ų | 103 | 133.3 Ų | 133.3 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | | | trans | -155.7 | 120.7 | 136.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 354 | S | 23 | Very low | 23.9 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | trans | -52.6 | 148.8 | 179.6 | 46.8 | 0 | 0 | 0 | 0 | 115.8 | | |
| 355 | H | 20.5 | Very low | 24 | Very low | 180 Ų | 180 | 133 Ų | 133 | 83% | 0.833 | 80% | 0.796 | S | S | * | * | | | trans | -40.4 | 133.4 | 158.4 | -67.9 | -94.9 | 0 | 0 | 0 | 112.8 | | |
| 356 | P | 27.5 | Very low | 24.1 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | | | trans | -88.6 | 103.6 | 144.7 | 31.5 | -24.1 | 0 | 0 | 0 | 108.5 | | |
| 357 | T | 23.6 | Very low | 24.5 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | | | trans | -53.7 | 137.3 | 159.1 | 35.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 358 | A | 21.6 | Very low | 24.7 | Very low | 87 Ų | 87 | 134.2 Ų | 134.2 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | | | trans | -58.5 | 137.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 359 | P | 27.8 | Very low | 24.8 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | | | trans | -83.8 | 115.4 | 154.9 | 31.7 | -26.2 | 0 | 0 | 0 | 109.2 | | |
| 360 | F | 26.4 | Very low | 24.9 | Very low | 187 Ų | 187 | 130.6 Ų | 130.6 | 82% | 0.82 | 79% | 0.792 | S | S | * | * | | | trans | -9 | 130.4 | 161.8 | -72.5 | -102.5 | 0 | 0 | 0 | 118.2 | D362 | F360-D362 PolarHBondContact O-N 3.29Š|
| 361 | L | 24.7 | Very low | 25.1 | Very low | 158 Ų | 158 | 131.9 Ų | 131.9 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | | | trans | -71.6 | 105 | 148.5 | -94.4 | 136.9 | 0 | 0 | 0 | 108.4 | T363 | L361-T363 HydrophobicContact CD2-CG2 4.07Š|
| 362 | D | 26.6 | Very low | 25.2 | Very low | 154 Ų | 154 | 128.5 Ų | 128.5 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | | | trans | -87.9 | 101.1 | 154.4 | -80.2 | -30.3 | 0 | 0 | 0 | 107.8 | F360 | F360-D362 PolarHBondContact O-N 3.29Š|
| 363 | T | 25.5 | Very low | 25.3 | Very low | 112 Ų | 112 | 133 Ų | 133 | 69% | 0.687 | 80% | 0.8 | S | S | * | * | | | trans | -88.7 | 111.3 | 166.3 | 44.5 | 0 | 0 | 0 | 0 | 109.5 | L361 | L361-T363 HydrophobicContact CD2-CG2 4.07Š|
| 364 | D | 28 | Very low | 25.3 | Very low | 173 Ų | 173 | 136 Ų | 136 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | | | trans | -158.7 | 143.5 | 161.1 | -102.9 | -30.9 | 0 | 0 | 0 | 111.3 | | |
| 365 | G | 27.7 | Very low | 25.3 | Very low | 68 Ų | 68 | 137 Ų | 137 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | | | trans | 93 | 82.3 | 153.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 366 | D | 24.7 | Very low | 25.4 | Very low | 156 Ų | 156 | 132.5 Ų | 132.5 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | | | trans | 24.4 | 123.5 | 135.9 | -60.8 | -46.6 | 0 | 0 | 0 | 121.9 | | |
| 367 | M | 30.3 | Very low | 25.1 | Very low | 159 Ų | 159 | 133 Ų | 133 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | | | | 177.8 | 111.6 | 107.6 | -95.3 | -70.9 | -178.1 | 0 | 0 | 114.4 | | |
| 368 | Q | 26.5 | Very low | 25 | Very low | 179 Ų | 179 | 131.8 Ų | 131.8 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | | | trans | 47.8 | 141.2 | 140.6 | -67 | -173.1 | -4.8 | 0 | 0 | 124.7 | | |
| 369 | A | 24.6 | Very low | 25.1 | Very low | 89 Ų | 89 | 136.2 Ų | 136.2 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | | | trans | -67.5 | 163.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 370 | S | 24.1 | Very low | 24.8 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | | 178.9 | 178.5 | 71.4 | 46.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 371 | S | 25.8 | Very low | 24.6 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | | | trans | -80 | 154.2 | -164.1 | 55.5 | 0 | 0 | 0 | 0 | 117.9 | | |
| 372 | A | 25.3 | Very low | 24.5 | Very low | 100 Ų | 100 | 139.2 Ų | 139.2 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | | | | -176.2 | 159.5 | 121.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 373 | Q | 23.9 | Very low | 24.3 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 77% | 0.771 | 80% | 0.8 | S | S | * | * | | | trans | -58.3 | 165.2 | 173.7 | -57.6 | 171.1 | -10.1 | 0 | 0 | 112.7 | | |
| 374 | K | 23.5 | Very low | 24.2 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 73% | 0.73 | 80% | 0.8 | S | S | * | * | | | cis | -173.6 | 146.7 | 39.4 | -143.8 | 159.3 | -165.4 | 171.4 | 0 | 112.5 | | |
| 375 | T | 21.8 | Very low | 24 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | 61.6 | 136.4 | 151.3 | 38.3 | 0 | 0 | 0 | 0 | 124.1 | | |
| 376 | A | 22.6 | Very low | 23.9 | Very low | 85 Ų | 85 | 138.2 Ų | 138.2 | 70% | 0.702 | 80% | 0.799 | S | S | * | * | | | trans | 96.5 | 106.9 | 144.7 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 377 | T | 22.3 | Very low | 23.9 | Very low | 132 Ų | 132 | 134.5 Ų | 134.5 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | | | trans | 63.6 | 132.3 | 144.8 | 51.2 | 0 | 0 | 0 | 0 | 121.6 | | |
| 378 | S | 22.1 | Very low | 23.8 | Very low | 103 Ų | 103 | 131.1 Ų | 131.1 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | | | trans | 68 | 110.4 | 168.3 | 76.8 | 0 | 0 | 0 | 0 | 117 | | |
| 379 | Q | 23.6 | Very low | 23.9 | Very low | 179 Ų | 179 | 129.6 Ų | 129.6 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | | | | 170.6 | 124.7 | 109 | -89.2 | 173.4 | 22.6 | 0 | 0 | 109.5 | R381 | Q379-R381 PolarHBondContact O-N 3.44Š|
| 380 | C | 21.4 | Very low | 24.1 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 91% | 0.912 | 78% | 0.778 | S | S | * | * | | | trans | -64.8 | 102.7 | 162.3 | -72.4 | 0 | 0 | 0 | 0 | 107.9 | Q382 | C380-Q382 PolarHBondContact O-N 3.28Š|
| 381 | R | 21.6 | Very low | 24.3 | Very low | 236 Ų | 236 | 130.3 Ų | 130.3 | 89% | 0.891 | 76% | 0.762 | S | S | * | * | | | trans | -73.8 | 114.3 | 179.8 | -159.1 | 174.1 | -171 | 175.8 | 2 | 109 | Q379 V383 | Q379-R381 PolarHBondContact O-N 3.44Å; R381-V383 PolarHBondContact O-N 3.06Å |
| 382 | Q | 22.1 | Very low | 24.5 | Very low | 160 Ų | 160 | 130.5 Ų | 130.5 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | | | trans | -57.1 | 128.9 | 174.8 | -67.6 | 169.2 | -45.3 | 0 | 0 | 110.3 | C380 L384 | C380-Q382 PolarHBondContact O-N 3.28Å; Q382-L384 HydrophobicContact CB-CG 4.46Å |
| 383 | V | 22.4 | Very low | 24.8 | Very low | 145 Ų | 145 | 129.3 Ų | 129.3 | 88% | 0.879 | 73% | 0.734 | S | S | * | * | | | trans | -86.8 | 109.1 | 159 | 179 | 0 | 0 | 0 | 0 | 106.5 | R381 | R381-V383 PolarHBondContact O-N 3.06Š|
| 384 | L | 23.9 | Very low | 25.2 | Very low | 132 Ų | 132 | 126.4 Ų | 126.4 | 69% | 0.691 | 72% | 0.723 | S | S | * | * | | | trans | -95 | 125.3 | 177.9 | -85.9 | 163.1 | 0 | 0 | 0 | 110.7 | Q382 | Q382-L384 HydrophobicContact CB-CG 4.46Š|
| 385 | S | 24.5 | Very low | 25.8 | Very low | 111 Ų | 111 | 122.5 Ų | 122.5 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | | | trans | 59.6 | 86.9 | 153.6 | -57.5 | 0 | 0 | 0 | 0 | 119.1 | | |
| 386 | A | 25.1 | Very low | 26.1 | Very low | 99 Ų | 99 | 119.2 Ų | 119.2 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | S | Bend | | -91.6 | 146.4 | 122.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | S388 | A386-S388 PolarHBondContact O-N 3.41Å; A386-S388 VanDerWaalsContact O-N 3.16Å |
| 387 | G | 25.5 | Very low | 26.5 | Very low | 77 Ų | 77 | 122 Ų | 122 | 79% | 0.794 | 71% | 0.709 | S | S | * | * | | | trans | -64.9 | 112.9 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q389 | G387-Q389 PolarHBondContact O-N 2.76Š|
| 388 | S | 28 | Very low | 26.9 | Very low | 89 Ų | 89 | 119.2 Ų | 119.2 | 62% | 0.622 | 71% | 0.707 | S | S | * | * | | | trans | -69.3 | 121.2 | 176.9 | 41.8 | 0 | 0 | 0 | 0 | 111.8 | A386 E405 | A386-S388 PolarHBondContact O-N 3.41Å; A386-S388 VanDerWaalsContact O-N 3.16Å; S388-E405 VanDerWaalsContact CA-OE2 3.32Å; S388-E405 WeakPolarHBondContact CA-OE2 3.48Å; S388-E405 WeakPolarHBondContact CB-OE2 3.47Å |
| 389 | Q | 27.2 | Very low | 27.1 | Very low | 146 Ų | 146 | 119.6 Ų | 119.6 | 68% | 0.682 | 70% | 0.698 | S | S | * | * | | | trans | -103.8 | 121.8 | 170 | -71.6 | -170.1 | -1.7 | 0 | 0 | 108.9 | G387 Y391 | G387-Q389 PolarHBondContact O-N 2.76Å; Q389-Y391 WeakPolarHBondContact O-CE2 3.43Å; Q389-Y391 PolarHBondContact O-N 2.82Å |
| 390 | S | 30.5 | Very low | 27.4 | Very low | 92 Ų | 92 | 114.4 Ų | 114.4 | 64% | 0.643 | 68% | 0.676 | S | S | * | * | | | trans | -69.7 | 112.1 | 172.9 | 43.6 | 0 | 0 | 0 | 0 | 109.8 | M392 | S390-M392 PolarHBondContact O-N 3.08Š|
| 391 | Y | 28.4 | Very low | 27.8 | Very low | 135 Ų | 135 | 110.1 Ų | 110.1 | 53% | 0.529 | 65% | 0.646 | S | S | . | * | | | trans | -74.4 | 121.7 | 174.8 | -46.9 | -72.5 | 0 | 0 | 0 | 109.6 | Q389 E405 | Q389-Y391 WeakPolarHBondContact O-CE2 3.43Å; Q389-Y391 PolarHBondContact O-N 2.82Å; Y391-E405 HydrophobicContact CD2-CG 4.49Å; Y391-E405 HydrophobicContact CE2-CG 3.94Å; Y391-E405 WeakPolarHBondContact CE2-OE1 3.38Å; Y391-E405 PolarHBondContact OH-OE1 3.49Å |
| 392 | M | 29.1 | Very low | 28.3 | Very low | 121 Ų | 121 | 103.4 Ų | 103.4 | 60% | 0.596 | 63% | 0.631 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.4 | 107.1 | 175.9 | -165 | 172.9 | 80.9 | 0 | 0 | 108.8 | S390 N394 D400 | S390-M392 PolarHBondContact O-N 3.08Å; M392-N394 PolarHBondContact O-N 3.37Å; M392-D400 HydrophobicContact CG-CB 3.68Å; M392-D400 HydrophobicContact SD-CB 3.79Å; M392-D400 VanDerWaalsContact SD-CG 3.59Å |
| 393 | V | 30.8 | Very low | 28.8 | Very low | 74 Ų | 74 | 99.6 Ų | 99.6 | 45% | 0.448 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.2 | 104.2 | 177.2 | -176.2 | 0 | 0 | 0 | 0 | 108.4 | V395 V401 | V393-V395 WeakPolarHBondContact O-CG2 3.34Å; V393-V395 PolarHBondContact O-N 2.67Å; V393-V401 PolarHBondContact N-O 3.44Å; V393-V401 PolarHBondContact O-N 2.86Å |
| 394 | N | 32.8 | Very low | 29.3 | Very low | 104 Ų | 104 | 97 Ų | 97 | 56% | 0.556 | 60% | 0.601 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73.4 | 111.1 | 171.3 | -178.2 | -20.1 | 0 | 0 | 0 | 108.7 | M392 G396 | M392-N394 PolarHBondContact O-N 3.37Å; N394-G396 PolarHBondContact O-N 3.14Å; N394-G396 PolarHBondContact OD1-N 3.25Å |
| 395 | V | 36.1 | Very low | 29.8 | Very low | 87 Ų | 87 | 94.9 Ų | 94.9 | 53% | 0.527 | 59% | 0.588 | S | S | . | * | | | trans | -85.1 | 19 | -173.1 | -147.8 | 0 | 0 | 0 | 0 | 112.7 | V393 N397 M399 V401 | V393-V395 WeakPolarHBondContact O-CG2 3.34Å; V393-V395 PolarHBondContact O-N 2.67Å; V395-N397 PolarHBondContact O-N 2.81Å; V395-N397 VanDerWaalsContact O-N 3.14Å; V395-M399 PolarHBondContact N-O 3.05Å; V395-V401 HydrophobicContact CG2-CG2 3.75Å |
| 396 | G | 27.4 | Very low | 29.9 | Very low | 62 Ų | 62 | 99.4 Ų | 99.4 | 64% | 0.639 | 59% | 0.589 | S | S | * | * | S | Bend | trans | 78.9 | -14.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | N394 | N394-G396 PolarHBondContact O-N 3.14Å; N394-G396 PolarHBondContact OD1-N 3.25Å |
| 397 | N | 32.6 | Very low | 30.3 | Very low | 143 Ų | 143 | 98.7 Ų | 98.7 | 77% | 0.765 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -110.8 | 23.6 | -174.3 | -70.2 | -3.7 | 0 | 0 | 0 | 113.7 | V395 M399 | V395-N397 PolarHBondContact O-N 2.81Å; V395-N397 VanDerWaalsContact O-N 3.14Å; N397-M399 VanDerWaalsContact C-N 3.27Å; N397-M399 PolarHBondContact O-N 3.43Å |
| 398 | G | 29.5 | Very low | 30.3 | Very low | 74 Ų | 74 | 101.3 Ų | 101.3 | 76% | 0.763 | 58% | 0.579 | S | S | * | * | S | Bend | trans | 69 | 22.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 399 | M | 27.6 | Very low | 30.3 | Very low | 111 Ų | 111 | 99.3 Ų | 99.3 | 55% | 0.547 | 57% | 0.568 | S | S | . | * | | | trans | -113.6 | 128.7 | 166.8 | -63 | -138.8 | -54.7 | 0 | 0 | 109.4 | V395 N397 | V395-M399 PolarHBondContact N-O 3.05Å; N397-M399 VanDerWaalsContact C-N 3.27Å; N397-M399 PolarHBondContact O-N 3.43Å |
| 400 | D | 28.5 | Very low | 30.4 | Very low | 70 Ų | 70 | 98.9 Ų | 98.9 | 37% | 0.374 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.8 | 122.2 | 172.4 | -67.7 | -45.9 | 0 | 0 | 0 | 109.2 | M392 | M392-D400 HydrophobicContact CG-CB 3.68Å; M392-D400 HydrophobicContact SD-CB 3.79Å; M392-D400 VanDerWaalsContact SD-CG 3.59Å |
| 401 | V | 29.9 | Very low | 30.3 | Very low | 45 Ų | 45 | 97.8 Ų | 97.8 | 27% | 0.273 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.1 | 118.7 | 173.3 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | V393 V395 L403 | V393-V401 PolarHBondContact N-O 3.44Å; V393-V401 PolarHBondContact O-N 2.86Å; V395-V401 HydrophobicContact CG2-CG2 3.75Å; V401-L403 HydrophobicContact CG1-CD2 4.07Å; V401-L403 HydrophobicContact CG1-CG 4.11Å |
| 402 | V | 33.2 | Very low | 30.4 | Very low | 95 Ų | 95 | 98.6 Ų | 98.6 | 58% | 0.576 | 58% | 0.581 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.1 | 108.7 | 171.9 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 403 | L | 32.3 | Very low | 30.4 | Very low | 79 Ų | 79 | 98.4 Ų | 98.4 | 41% | 0.414 | 59% | 0.588 | S | S | . | * | | | trans | -92.9 | 123.1 | 175.7 | -68.7 | 170.7 | 0 | 0 | 0 | 109.9 | V401 | V401-L403 HydrophobicContact CG1-CD2 4.07Å; V401-L403 HydrophobicContact CG1-CG 4.11Å |
| 404 | P | 32.1 | Very low | 30.6 | Very low | 91 Ų | 91 | 100.7 Ų | 100.7 | 59% | 0.591 | 60% | 0.597 | S | S | * | * | | | trans | -73.4 | 133.3 | 170.1 | 29.3 | -32 | 0 | 0 | 0 | 110.4 | Y406 S407 | P404-Y406 PolarHBondContact O-N 3.06Å; P404-S407 PolarHBondContact O-N 3.45Å; P404-S407 VanDerWaalsContact O-N 3.15Å |
| 405 | E | 34.2 | Very low | 30.7 | Very low | 88 Ų | 88 | 100.9 Ų | 100.9 | 41% | 0.411 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.7 | -6.6 | -176.3 | -75.1 | -177.9 | 111.5 | 0 | 0 | 115.3 | S388 Y391 | S388-E405 VanDerWaalsContact CA-OE2 3.32Å; S388-E405 WeakPolarHBondContact CA-OE2 3.48Å; S388-E405 WeakPolarHBondContact CB-OE2 3.47Å; Y391-E405 HydrophobicContact CD2-CG 4.49Å; Y391-E405 HydrophobicContact CE2-CG 3.94Å; Y391-E405 WeakPolarHBondContact CE2-OE1 3.38Å; Y391-E405 PolarHBondContact OH-OE1 3.49Å |
| 406 | Y | 27.8 | Very low | 30.6 | Very low | 206 Ų | 206 | 100.9 Ų | 100.9 | 81% | 0.808 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 8 | 176.3 | -60.4 | -66.7 | 0 | 0 | 0 | 114.6 | P404 T408 | P404-Y406 PolarHBondContact O-N 3.06Å; Y406-T408 PolarHBondContact O-N 3.44Å |
| 407 | S | 32.2 | Very low | 30.8 | Very low | 83 Ų | 83 | 102.4 Ų | 102.4 | 58% | 0.58 | 60% | 0.603 | S | S | * | * | | | trans | -76.8 | 59.8 | 168.2 | -168.8 | 0 | 0 | 0 | 0 | 111.6 | P404 A409 | P404-S407 PolarHBondContact O-N 3.45Å; P404-S407 VanDerWaalsContact O-N 3.15Å; S407-A409 PolarHBondContact O-N 3.43Å; S407-A409 VanDerWaalsContact O-N 3.13Å |
| 408 | T | 26.8 | Very low | 30.7 | Very low | 133 Ų | 133 | 98.3 Ų | 98.3 | 82% | 0.816 | 59% | 0.594 | S | S | * | * | | | trans | -76 | 11.7 | 179 | 48.7 | 0 | 0 | 0 | 0 | 113.9 | Y406 | Y406-T408 PolarHBondContact O-N 3.44Š|
| 409 | A | 27.7 | Very low | 30.7 | Very low | 46 Ų | 46 | 100.8 Ų | 100.8 | 38% | 0.38 | 58% | 0.584 | S | S | . | * | | | trans | -108.3 | 85.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S407 G411 Q412 | S407-A409 PolarHBondContact O-N 3.43Å; S407-A409 VanDerWaalsContact O-N 3.13Å; A409-G411 PolarHBondContact O-N 2.97Å; A409-Q412 HydrophobicContact CB-CG 4.04Å; A409-Q412 PolarHBondContact O-N 3.12Å |
| 410 | I | 29.3 | Very low | 30.9 | Very low | 137 Ų | 137 | 100.4 Ų | 100.4 | 70% | 0.703 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | 112.1 | 168.3 | -61 | 172.8 | 0 | 0 | 0 | 108.2 | Q203 | Q203-I410 HydrophobicContact CG-CG2 4.49Š|
| 411 | G | 28.7 | Very low | 30.8 | Very low | 69 Ų | 69 | 108.1 Ų | 108.1 | 71% | 0.711 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 111.4 | 2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | A409 | A409-G411 PolarHBondContact O-N 2.97Š|
| 412 | Q | 28.8 | Very low | 30.7 | Very low | 153 Ų | 153 | 109.6 Ų | 109.6 | 72% | 0.715 | 63% | 0.628 | S | S | * | * | | | trans | -75.9 | 137.2 | 163.8 | -72.6 | -159.6 | -9.5 | 0 | 0 | 110.7 | A409 I414 | A409-Q412 HydrophobicContact CB-CG 4.04Å; A409-Q412 PolarHBondContact O-N 3.12Å; Q412-I414 PolarHBondContact O-N 2.76Å |
| 413 | P | 31 | Very low | 30.5 | Very low | 117 Ų | 117 | 113.4 Ų | 113.4 | 76% | 0.76 | 64% | 0.639 | S | S | * | * | | | trans | -62 | 130 | 170.2 | 27 | -32.8 | 0 | 0 | 0 | 108.5 | D415 | P413-D415 PolarHBondContact O-N 3.23Š|
| 414 | I | 34.6 | Very low | 30.3 | Very low | 121 Ų | 121 | 111.5 Ų | 111.5 | 62% | 0.621 | 64% | 0.639 | S | S | * | * | | | trans | -60.8 | 110.4 | 171.7 | -60.1 | 174.8 | 0 | 0 | 0 | 106.5 | Q412 S416 | Q412-I414 PolarHBondContact O-N 2.76Å; I414-S416 PolarHBondContact O-N 3.41Å |
| 415 | D | 33.7 | Very low | 30.1 | Very low | 108 Ų | 108 | 115.7 Ų | 115.7 | 58% | 0.578 | 65% | 0.65 | S | S | * | * | | | trans | -60.4 | 124.8 | 178.1 | -176.2 | 14.2 | 0 | 0 | 0 | 108.6 | P413 S417 G418 | P413-D415 PolarHBondContact O-N 3.23Å; D415-S417 PolarHBondContact O-N 3.33Å; D415-S417 VanDerWaalsContact O-N 3.09Å; D415-S417 PolarHBondContact OD1-N 3.32Å; D415-S417 WeakPolarHBondContact OD2-CB 3.5Å; D415-S417 PolarHBondContact OD2-OG 2.69Å; D415-G418 PolarHBondContact O-N 2.92Å |
| 416 | S | 34.8 | Very low | 29.7 | Very low | 87 Ų | 87 | 120.3 Ų | 120.3 | 61% | 0.608 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -68.8 | -11.9 | -172.5 | 59.1 | 0 | 0 | 0 | 0 | 112.6 | I414 G418 F419 | I414-S416 PolarHBondContact O-N 3.41Å; S416-G418 PolarHBondContact O-N 3Å; S416-F419 PolarHBondContact O-N 3.36Å; S416-F419 VanDerWaalsContact O-N 3.16Å |
| 417 | S | 31.6 | Very low | 29.5 | Very low | 95 Ų | 95 | 117.5 Ų | 117.5 | 66% | 0.664 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -56.4 | -26 | 164.8 | 72.4 | 0 | 0 | 0 | 0 | 113.6 | D415 | D415-S417 PolarHBondContact O-N 3.33Å; D415-S417 VanDerWaalsContact O-N 3.09Å; D415-S417 PolarHBondContact OD1-N 3.32Å; D415-S417 WeakPolarHBondContact OD2-CB 3.5Å; D415-S417 PolarHBondContact OD2-OG 2.69Å |
| 418 | G | 30.1 | Very low | 29.1 | Very low | 56 Ų | 56 | 124.7 Ų | 124.7 | 58% | 0.577 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -81.6 | -9.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | D415 S416 S420 | D415-G418 PolarHBondContact O-N 2.92Å; S416-G418 PolarHBondContact O-N 3Å; G418-S420 PolarHBondContact O-N 3.17Å |
| 419 | F | 30.4 | Very low | 29 | Very low | 127 Ų | 127 | 122.9 Ų | 122.9 | 56% | 0.557 | 67% | 0.668 | S | S | * | * | | | trans | -73.5 | 75.2 | 172.6 | -71.5 | -70 | 0 | 0 | 0 | 111 | S416 R421 | S416-F419 PolarHBondContact O-N 3.36Å; S416-F419 VanDerWaalsContact O-N 3.16Å; F419-R421 PolarHBondContact O-N 3.13Å; F419-R421 VanDerWaalsContact O-N 3.1Å |
| 420 | S | 30.4 | Very low | 28.8 | Very low | 102 Ų | 102 | 129.1 Ų | 129.1 | 71% | 0.713 | 69% | 0.687 | S | S | * | * | | | trans | -59 | 115.4 | 148.7 | 65.8 | 0 | 0 | 0 | 0 | 107.5 | G418 S422 | G418-S420 PolarHBondContact O-N 3.17Å; S420-S422 VanDerWaalsContact C-N 3.31Å; S420-S422 PolarHBondContact O-N 3.41Å |
| 421 | R | 27 | Very low | 28.7 | Very low | 232 Ų | 232 | 128.5 Ų | 128.5 | 88% | 0.875 | 69% | 0.692 | S | S | * | * | | | trans | -54 | 112.6 | 144 | -80.7 | -177.7 | 172.4 | -179.6 | -2.7 | 104 | F419 H423 | F419-R421 PolarHBondContact O-N 3.13Å; F419-R421 VanDerWaalsContact O-N 3.1Å; R421-H423 PolarHBondContact O-N 2.93Å |
| 422 | S | 28.1 | Very low | 28.6 | Very low | 76 Ų | 76 | 129.8 Ų | 129.8 | 53% | 0.531 | 69% | 0.686 | S | S | . | * | | | trans | -47.8 | 134.9 | 156.6 | 54.1 | 0 | 0 | 0 | 0 | 105.5 | S420 G424 | S420-S422 VanDerWaalsContact C-N 3.31Å; S420-S422 PolarHBondContact O-N 3.41Å; S422-G424 PolarHBondContact O-N 3.15Å |
| 423 | H | 28.7 | Very low | 28.5 | Very low | 176 Ų | 176 | 131 Ų | 131 | 82% | 0.815 | 69% | 0.692 | S | S | * | * | | | trans | -58.5 | 104 | 162.7 | -95 | -38.9 | 0 | 0 | 0 | 104.1 | R421 H425 | R421-H423 PolarHBondContact O-N 2.93Å; H423-H425 PolarHBondContact O-N 2.9Å |
| 424 | G | 27.9 | Very low | 28.3 | Very low | 39 Ų | 39 | 132.7 Ų | 132.7 | 40% | 0.402 | 69% | 0.694 | S | S | . | * | | | trans | -52.3 | 113.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 104.5 | S422 F426 | S422-G424 PolarHBondContact O-N 3.15Å; G424-F426 CarbonylContact O-C 3.46Å; G424-F426 WeakPolarHBondContact O-CA 2.98Å; G424-F426 WeakPolarHBondContact O-CB 3.32Å; G424-F426 PolarHBondContact O-N 3.32Å |
| 425 | H | 28.5 | Very low | 27.9 | Very low | 178 Ų | 178 | 131.5 Ų | 131.5 | 82% | 0.824 | 70% | 0.702 | S | S | * | * | | | trans | -71.6 | 49.6 | 167.6 | -83.8 | -54.8 | 0 | 0 | 0 | 109.2 | H423 M427 | H423-H425 PolarHBondContact O-N 2.9Å; H425-M427 PolarHBondContact O-N 2.89Å |
| 426 | F | 26.1 | Very low | 27.5 | Very low | 185 Ų | 185 | 130.4 Ų | 130.4 | 81% | 0.811 | 70% | 0.702 | S | S | * | * | | | | -40.1 | 85.6 | 108 | -51.7 | -68.8 | 0 | 0 | 0 | 108.7 | G424 R428 | G424-F426 CarbonylContact O-C 3.46Å; G424-F426 WeakPolarHBondContact O-CA 2.98Å; G424-F426 WeakPolarHBondContact O-CB 3.32Å; G424-F426 PolarHBondContact O-N 3.32Å; F426-R428 PolarHBondContact O-N 2.73Å |
| 427 | M | 23.7 | Very low | 27 | Very low | 147 Ų | 147 | 137.6 Ų | 137.6 | 72% | 0.724 | 72% | 0.716 | S | S | * | * | | | | -47.8 | 97.4 | 125.8 | -78 | -169.1 | -77.1 | 0 | 0 | 105.6 | H425 V429 | H425-M427 PolarHBondContact O-N 2.89Å; M427-V429 HydrophobicContact CB-CG2 3.95Å; M427-V429 PolarHBondContact O-N 3.26Å |
| 428 | R | 24.2 | Very low | 26.8 | Very low | 234 Ų | 234 | 139.3 Ų | 139.3 | 88% | 0.883 | 73% | 0.728 | S | S | * | * | | | | -51.2 | 85.3 | 127.4 | -90.7 | -174.6 | 168.5 | -177.3 | -2.9 | 104.8 | F426 K430 | F426-R428 PolarHBondContact O-N 2.73Å; R428-K430 PolarHBondContact O-N 2.99Å |
| 429 | V | 24.1 | Very low | 26.7 | Very low | 96 Ų | 96 | 140.9 Ų | 140.9 | 58% | 0.582 | 74% | 0.736 | S | S | * | * | | | trans | -51.4 | 97.4 | 146.8 | -176.7 | 0 | 0 | 0 | 0 | 101.7 | M427 | M427-V429 HydrophobicContact CB-CG2 3.95Å; M427-V429 PolarHBondContact O-N 3.26Å |
| 430 | K | 23.2 | Very low | 26.4 | Very low | 176 Ų | 176 | 139.9 Ų | 139.9 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | | | trans | -42.3 | 133 | 156 | -76 | 179.6 | 174.7 | 178.4 | 0 | 103.8 | R428 T432 | R428-K430 PolarHBondContact O-N 2.99Å; K430-T432 PolarHBondContact O-N 3.13Å; K430-T432 PolarHBondContact O-OG1 3.14Å |
| 431 | P | 28 | Very low | 26.3 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 81% | 0.805 | 75% | 0.752 | S | S | * | * | | | trans | -56.3 | 94.4 | 177.5 | 23 | -32.8 | 0 | 0 | 0 | 107.6 | Q433 | P431-Q433 PolarHBondContact O-N 3.12Š|
| 432 | T | 26.4 | Very low | 26.6 | Very low | 97 Ų | 97 | 136.6 Ų | 136.6 | 60% | 0.595 | 75% | 0.752 | S | S | * | * | | | trans | -69 | 124.1 | -177 | -11.8 | 0 | 0 | 0 | 0 | 102.5 | K430 L434 | K430-T432 PolarHBondContact O-N 3.13Å; K430-T432 PolarHBondContact O-OG1 3.14Å; T432-L434 PolarHBondContact O-N 3.18Å |
| 433 | Q | 26.6 | Very low | 26.6 | Very low | 178 Ų | 178 | 136.8 Ų | 136.8 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | | | trans | -67.4 | 75.1 | 176.6 | -69.1 | 172.6 | -27.2 | 0 | 0 | 108.8 | P431 A435 | P431-Q433 PolarHBondContact O-N 3.12Å; Q433-A435 PolarHBondContact O-N 3.33Å |
| 434 | L | 27.2 | Very low | 26.6 | Very low | 153 Ų | 153 | 132.5 Ų | 132.5 | 80% | 0.801 | 77% | 0.77 | S | S | * | * | | | trans | -84.8 | 28.4 | 158.5 | -66.1 | 177.4 | 0 | 0 | 0 | 110 | T432 S436 | T432-L434 PolarHBondContact O-N 3.18Å; L434-S436 PolarHBondContact O-N 3.43Å; L434-S436 VanDerWaalsContact O-N 3.08Å |
| 435 | A | 24.6 | Very low | 26.6 | Very low | 96 Ų | 96 | 135.9 Ų | 135.9 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | | | trans | -75.2 | 66.6 | 149.9 | 0 | 0 | 0 | 0 | 0 | 109 | Q433 | Q433-A435 PolarHBondContact O-N 3.33Š|
| 436 | S | 26.1 | Very low | 26.6 | Very low | 84 Ų | 84 | 137.6 Ų | 137.6 | 59% | 0.587 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -147.6 | 104.9 | 159 | 55.8 | 0 | 0 | 0 | 0 | 112.6 | L434 | L434-S436 PolarHBondContact O-N 3.43Å; L434-S436 VanDerWaalsContact O-N 3.08Å |
| 437 | R | 25 | Very low | 26.7 | Very low | 239 Ų | 239 | 138.5 Ų | 138.5 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 81.6 | 127.4 | 158.3 | -55.8 | 176.9 | 174.2 | -149.3 | -5.5 | 116.7 | | |
| 438 | S | 26.3 | Very low | 26.9 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 74.5 | 105.7 | -178.1 | -46.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 439 | A | 27.9 | Very low | 27 | Very low | 90 Ų | 90 | 137.2 Ų | 137.2 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | | | cis | -130 | 143.6 | 11.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 440 | A | 24.3 | Very low | 27.1 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | | | trans | -114.2 | 79.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 441 | T | 28.5 | Very low | 27.4 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | | | trans | -171 | 125.3 | 167.5 | 35.7 | 0 | 0 | 0 | 0 | 104.1 | | |
| 442 | T | 33.5 | Very low | 27.3 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | | | cis | -149.6 | 157.5 | 19.9 | -30.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 443 | G | 28.7 | Very low | 27.4 | Very low | 81 Ų | 81 | 135 Ų | 135 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | | | trans | -76.5 | 158.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 444 | G | 28.2 | Very low | 27.3 | Very low | 86 Ų | 86 | 133 Ų | 133 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | | | trans | 178.4 | 143.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 445 | S | 28.4 | Very low | 27.2 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | | | trans | -112.2 | 153.8 | -168.5 | 79 | 0 | 0 | 0 | 0 | 115 | | |
| 446 | R | 27.7 | Very low | 27.1 | Very low | 215 Ų | 215 | 134.8 Ų | 134.8 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | | | trans | 82.2 | 133.8 | 152.2 | -87.4 | -179.4 | 162.3 | -176.2 | -4.2 | 120.4 | | |
| 447 | R | 27.8 | Very low | 27 | Very low | 203 Ų | 203 | 136.2 Ų | 136.2 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | | | trans | 81.8 | 109.2 | 152.2 | -73.3 | -179.3 | 173.3 | 176.3 | -3.2 | 119.7 | | |
| 448 | E | 27.4 | Very low | 27 | Very low | 173 Ų | 173 | 132 Ų | 132 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | | | | 24.8 | 108.5 | 125.2 | -62 | 169.7 | 153.5 | 0 | 0 | 118 | | |
| 449 | L | 26.3 | Very low | 26.9 | Very low | 182 Ų | 182 | 133.9 Ų | 133.9 | 95% | 0.953 | 81% | 0.805 | S | S | * | * | | | | -171 | 162.7 | 110.9 | -100.1 | 155.6 | 0 | 0 | 0 | 110.3 | | |
| 450 | G | 26 | Very low | 26.8 | Very low | 78 Ų | 78 | 134.6 Ų | 134.6 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -76.6 | 156 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 451 | S | 30.2 | Very low | 26.6 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | | | trans | -114.3 | 118 | 170.2 | 50.3 | 0 | 0 | 0 | 0 | 111.1 | G453 | S451-G453 PolarHBondContact O-N 3.16Š|
| 452 | R | 26.5 | Very low | 26.4 | Very low | 178 Ų | 178 | 135 Ų | 135 | 67% | 0.672 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 126.2 | 168.8 | -76.4 | 158.9 | 134.7 | -179.6 | -5 | 108.9 | M42 T454 | M42-R452 HydrophobicContact CE-CB 4.13Å; M42-R452 HydrophobicContact CE-CG 4.24Å; M42-R452 HydrophobicContact SD-CB 4.49Å; M42-R452 HydrophobicContact SD-CG 4.43Å; R452-T454 PolarHBondContact O-N 3.39Å |
| 453 | G | 27.8 | Very low | 25.9 | Very low | 68 Ų | 68 | 135.9 Ų | 135.9 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 117.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S451 L455 | S451-G453 PolarHBondContact O-N 3.16Å; G453-L455 PolarHBondContact O-N 3.24Å |
| 454 | T | 24.1 | Very low | 25.8 | Very low | 135 Ų | 135 | 137.1 Ų | 137.1 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 117 | 173.8 | -8.4 | 0 | 0 | 0 | 0 | 110.2 | R452 V456 | R452-T454 PolarHBondContact O-N 3.39Å; T454-V456 PolarHBondContact O-N 3.01Å |
| 455 | L | 25.7 | Very low | 25.4 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | | | trans | -82.2 | 107.5 | 173 | -74.3 | 169.7 | 0 | 0 | 0 | 109.9 | G453 | G453-L455 PolarHBondContact O-N 3.24Š|
| 456 | V | 23.1 | Very low | 25.2 | Very low | 114 Ų | 114 | 146.2 Ų | 146.2 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | | | trans | -91.5 | 124.9 | 168.5 | 179.4 | 0 | 0 | 0 | 0 | 108.4 | T454 I458 | T454-V456 PolarHBondContact O-N 3.01Å; V456-I458 PolarHBondContact O-N 3.45Å |
| 457 | P | 24.6 | Very low | 25.1 | Very low | 115 Ų | 115 | 141.9 Ų | 141.9 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | | | trans | -73.5 | 113.2 | 174.2 | 29.4 | -32 | 0 | 0 | 0 | 109.8 | I459 | P457-I459 PolarHBondContact O-N 3.4Š|
| 458 | I | 24.3 | Very low | 25 | Very low | 150 Ų | 150 | 141 Ų | 141 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | -81.3 | 109.7 | 171.9 | -61.4 | 177 | 0 | 0 | 0 | 108.4 | V456 | V456-I458 PolarHBondContact O-N 3.45Š|
| 459 | I | 23.1 | Very low | 24.9 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | | | trans | -81.9 | 117.3 | 162.8 | -55.1 | 171 | 0 | 0 | 0 | 106.9 | P457 | P457-I459 PolarHBondContact O-N 3.4Š|
| 460 | S | 25.7 | Very low | 24.8 | Very low | 104 Ų | 104 | 139 Ų | 139 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | trans | -149.4 | 126.1 | 168.2 | 63.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 461 | S | 21.8 | Very low | 24.8 | Very low | 101 Ų | 101 | 141.4 Ų | 141.4 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | trans | -91.6 | 151.8 | -174.4 | 52.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 462 | N | 23.6 | Very low | 24.5 | Very low | 133 Ų | 133 | 146 Ų | 146 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | | | trans | 68.4 | 115.1 | 143.5 | -65.3 | 4.5 | 0 | 0 | 0 | 121.8 | | |
| 463 | H | 23.7 | Very low | 24.6 | Very low | 163 Ų | 163 | 143.5 Ų | 143.5 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | trans | 45.8 | 125.3 | 136.4 | -46.4 | -61.2 | 0 | 0 | 0 | 122.2 | | |
| 464 | S | 24.9 | Very low | 24.7 | Very low | 107 Ų | 107 | 149.5 Ų | 149.5 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | | | | 175.7 | 123.5 | 103.7 | 62.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 465 | Y | 21.6 | Very low | 24.9 | Very low | 208 Ų | 208 | 148.3 Ų | 148.3 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | | | trans | 54 | 131.3 | 140.7 | -75.7 | -88.7 | 0 | 0 | 0 | 126.5 | | |
| 466 | Q | 22.7 | Very low | 24.9 | Very low | 179 Ų | 179 | 146.8 Ų | 146.8 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | | | trans | 62.7 | 118.6 | 139.3 | -86 | 170.9 | -14.3 | 0 | 0 | 123 | | |
| 467 | S | 27 | Very low | 25.1 | Very low | 124 Ų | 124 | 150.3 Ų | 150.3 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | | | | -168.4 | 154.6 | 118.9 | -170 | 0 | 0 | 0 | 0 | 111.8 | | |
| 468 | Q | 23.9 | Very low | 25.5 | Very low | 183 Ų | 183 | 149.3 Ų | 149.3 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | | | trans | -86.5 | 139.9 | -176.3 | -62.3 | 166.7 | -22.9 | 0 | 0 | 112.5 | | |
| 469 | V | 26.9 | Very low | 25.6 | Very low | 137 Ų | 137 | 151.1 Ų | 151.1 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | | | trans | -135.8 | 124.5 | 152.5 | -177.7 | 0 | 0 | 0 | 0 | 110 | V471 | V469-V471 HydrophobicContact CG1-CG2 4.13Š|
| 470 | Q | 23 | Very low | 25.9 | Very low | 178 Ų | 178 | 148 Ų | 148 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | -103.8 | 120.6 | -177.7 | -176.8 | -176.1 | 58.2 | 0 | 0 | 109.1 | | |
| 471 | V | 26.8 | Very low | 25.9 | Very low | 127 Ų | 127 | 154.2 Ų | 154.2 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | | | trans | -129.7 | 122.1 | 173.5 | -173.5 | 0 | 0 | 0 | 0 | 109.9 | V469 | V469-V471 HydrophobicContact CG1-CG2 4.13Š|
| 472 | R | 24.6 | Very low | 25.9 | Very low | 220 Ų | 220 | 157 Ų | 157 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 146.4 | 178.8 | -68.3 | 178.6 | 174.6 | 177.5 | -2.6 | 111.4 | | |
| 473 | P | 27.4 | Very low | 26 | Very low | 124 Ų | 124 | 159.4 Ų | 159.4 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 146.2 | 173.1 | 32 | -34.4 | 0 | 0 | 0 | 111.7 | | |
| 474 | K | 29.2 | Very low | 26.1 | Very low | 194 Ų | 194 | 158.2 Ų | 158.2 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 132.6 | 162.5 | -85 | -175.1 | 174.5 | -179.9 | 0 | 109.4 | | |
| 475 | P | 29.6 | Very low | 26.2 | Very low | 110 Ų | 110 | 158.2 Ų | 158.2 | 71% | 0.714 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 148.9 | 175.4 | 33.1 | -33.9 | 0 | 0 | 0 | 111.2 | | |
| 476 | V | 25.9 | Very low | 26.8 | Very low | 142 Ų | 142 | 153.9 Ų | 153.9 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | | | trans | -116.2 | 123.1 | 169 | 179.8 | 0 | 0 | 0 | 0 | 107.6 | | |
| 477 | F | 27.3 | Very low | 27.1 | Very low | 188 Ų | 188 | 155.2 Ų | 155.2 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | | | trans | -102.6 | 156.8 | 172 | -89.1 | -82.6 | 0 | 0 | 0 | 111 | | |
| 478 | P | 32.9 | Very low | 27.1 | Very low | 94 Ų | 94 | 160.4 Ų | 160.4 | 61% | 0.61 | 82% | 0.82 | S | S | * | * | | | trans | -102.8 | 176.8 | -159.2 | 39.7 | -36.2 | 0 | 0 | 0 | 115.8 | | |
| 479 | H | 25.6 | Very low | 27.3 | Very low | 187 Ų | 187 | 155.3 Ų | 155.3 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | | | trans | 85.5 | 108.3 | 166.1 | -57.1 | -57.4 | 0 | 0 | 0 | 119.4 | | |
| 480 | A | 29.1 | Very low | 27.2 | Very low | 106 Ų | 106 | 158.4 Ų | 158.4 | 88% | 0.876 | 82% | 0.82 | S | S | * | * | | | | -156.2 | 133.5 | 126.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 481 | R | 25.4 | Very low | 27.4 | Very low | 233 Ų | 233 | 153.9 Ų | 153.9 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | | | trans | -76.5 | 143.8 | -177.5 | -73.6 | 168.5 | 162.7 | 173.8 | -5.3 | 112.6 | | |
| 482 | M | 22.1 | Very low | 27.3 | Very low | 159 Ų | 159 | 152.2 Ų | 152.2 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | | | | 48.7 | 118.2 | 129.4 | -160.5 | -164.8 | -44.1 | 0 | 0 | 119.4 | | |
| 483 | H | 26.1 | Very low | 27.5 | Very low | 185 Ų | 185 | 149.8 Ų | 149.8 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | | | trans | -154.6 | 131.7 | 132.9 | -111.7 | -75.1 | 0 | 0 | 0 | 111.4 | | |
| 484 | V | 25.7 | Very low | 27.5 | Very low | 137 Ų | 137 | 152 Ų | 152 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | | | trans | -118.3 | 132.1 | 165.5 | 174.7 | 0 | 0 | 0 | 0 | 106.7 | | |
| 485 | S | 27.8 | Very low | 27.6 | Very low | 107 Ų | 107 | 151.2 Ų | 151.2 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | | | trans | -155.8 | 145.2 | 157.1 | 52.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 486 | P | 33.4 | Very low | 27.5 | Very low | 118 Ų | 118 | 154 Ų | 154 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | | | trans | -105 | 155.6 | -175.9 | 38.7 | -33.2 | 0 | 0 | 0 | 112.9 | | |
| 487 | Q | 29.6 | Very low | 27.7 | Very low | 206 Ų | 206 | 156.1 Ų | 156.1 | 96% | 0.963 | 82% | 0.816 | S | S | * | * | | | trans | -157.9 | 152.7 | 153.5 | -117.1 | 163.4 | 10.2 | 0 | 0 | 114.2 | | |
| 488 | R | 25.8 | Very low | 27.6 | Very low | 234 Ų | 234 | 158.2 Ų | 158.2 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | | | trans | -86.4 | 158.1 | -171.5 | -68 | 170.3 | 167.2 | 163.8 | -6.3 | 113.2 | | |
| 489 | G | 28.9 | Very low | 27.4 | Very low | 76 Ų | 76 | 160.6 Ų | 160.6 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | | | trans | -159.4 | 138.5 | 160.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 490 | F | 24.7 | Very low | 27.5 | Very low | 202 Ų | 202 | 162.7 Ų | 162.7 | 89% | 0.886 | 83% | 0.825 | S | S | * | * | | | trans | -104.9 | 168.6 | 178.4 | -63.7 | -100.9 | 0 | 0 | 0 | 110.2 | | |
| 491 | A | 26.6 | Very low | 27.6 | Very low | 82 Ų | 82 | 162.5 Ų | 162.5 | 68% | 0.678 | 82% | 0.817 | S | S | * | * | | | cis | -145.5 | 155.3 | 4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 492 | A | 25.6 | Very low | 28 | Very low | 92 Ų | 92 | 157.5 Ų | 157.5 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | | | | 65.8 | 147.6 | 89.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 493 | I | 27.7 | Very low | 28.2 | Very low | 169 Ų | 169 | 155.7 Ų | 155.7 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | | | trans | 101.9 | 134.7 | 165.2 | -56.7 | 167.5 | 0 | 0 | 0 | 117.6 | | |
| 494 | Q | 29.2 | Very low | 28.2 | Very low | 171 Ų | 171 | 155.5 Ų | 155.5 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | | | trans | -82.5 | 160.7 | -178.1 | -56.4 | 162.8 | -30.9 | 0 | 0 | 112 | | |
| 495 | H | 31 | Very low | 28.5 | Very low | 177 Ų | 177 | 157 Ų | 157 | 82% | 0.819 | 82% | 0.815 | S | S | * | * | | | | -171.1 | 156.3 | 125.1 | -112.1 | -80.4 | 0 | 0 | 0 | 113.8 | | |
| 496 | H | 26.9 | Very low | 28.6 | Very low | 168 Ų | 168 | 156.8 Ų | 156.8 | 78% | 0.778 | 81% | 0.813 | S | S | * | * | | | trans | -65 | 155.1 | -179.4 | -59.4 | -78.4 | 0 | 0 | 0 | 115.3 | | |
| 497 | Q | 31.1 | Very low | 28.2 | Very low | 188 Ų | 188 | 154.8 Ų | 154.8 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | | | | -158.5 | 136.3 | 123.5 | -109.5 | 169.4 | 37 | 0 | 0 | 113.1 | | |
| 498 | R | 24.1 | Very low | 28.1 | Very low | 232 Ų | 232 | 152.1 Ų | 152.1 | 88% | 0.875 | 81% | 0.812 | S | S | * | * | | | trans | -74.8 | 156.8 | 161.8 | -70.5 | 170.9 | 163.3 | 176.8 | -6.1 | 108.8 | | |
| 499 | I | 29.8 | Very low | 28.3 | Very low | 144 Ų | 144 | 152 Ų | 152 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | | | | -178.1 | 122.9 | 128.9 | -95.9 | 152.6 | 0 | 0 | 0 | 113.2 | | |
| 500 | R | 26.3 | Very low | 28 | Very low | 230 Ų | 230 | 156.6 Ų | 156.6 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | | | trans | 45.6 | 137.7 | 142.5 | -52.4 | 177.8 | -175.8 | -167.5 | -0.5 | 122.6 | | |
| 501 | S | 32.6 | Very low | 28.1 | Very low | 102 Ų | 102 | 153.1 Ų | 153.1 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | | | trans | -66.7 | 151.8 | 160.6 | 48.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 502 | P | 33.2 | Very low | 28 | Very low | 128 Ų | 128 | 154 Ų | 154 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | | | trans | -101.2 | 131.1 | 162.6 | 34.3 | -26.3 | 0 | 0 | 0 | 111.6 | | |
| 503 | T | 26.5 | Very low | 28 | Very low | 122 Ų | 122 | 159.3 Ų | 159.3 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | | | trans | -121.5 | 144.7 | 165.6 | -17.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 504 | Q | 26.5 | Very low | 27.9 | Very low | 180 Ų | 180 | 156.9 Ų | 156.9 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | | | trans | 73.5 | 107.1 | 162.8 | -56.4 | -179.7 | 2.6 | 0 | 0 | 120 | | |
| 505 | L | 31.1 | Very low | 27.8 | Very low | 168 Ų | 168 | 152.1 Ų | 152.1 | 88% | 0.88 | 81% | 0.81 | S | S | * | * | | | | -138.3 | 109.5 | 126.2 | -73.9 | 177.2 | 0 | 0 | 0 | 104.8 | | |
| 506 | S | 29.6 | Very low | 27.6 | Very low | 103 Ų | 103 | 153 Ų | 153 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | | | | 95.6 | 115.9 | 56 | 71.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 507 | G | 25.6 | Very low | 27.4 | Very low | 77 Ų | 77 | 150.3 Ų | 150.3 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | | | trans | 101.5 | 126.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 508 | V | 28.3 | Very low | 27.6 | Very low | 150 Ų | 150 | 146.9 Ų | 146.9 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | | | cis | -130.8 | 165 | 25.7 | 171.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 509 | R | 28.8 | Very low | 27.7 | Very low | 231 Ų | 231 | 144.9 Ų | 144.9 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | | | trans | -81.9 | 159.6 | -165.5 | -64.9 | 170.8 | 170.9 | 168.4 | -5 | 115.5 | | |
| 510 | H | 23.7 | Very low | 27.5 | Very low | 173 Ų | 173 | 146.2 Ų | 146.2 | 80% | 0.801 | 82% | 0.816 | S | S | * | * | | | trans | -22.4 | 142.6 | 155.9 | -62.2 | -109 | 0 | 0 | 0 | 117.2 | | |
| 511 | V | 26.4 | Very low | 27.8 | Very low | 128 Ų | 128 | 140 Ų | 140 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | | | | -145.8 | 133.9 | 110.7 | -177 | 0 | 0 | 0 | 0 | 109 | F513 | V511-F513 HydrophobicContact CG1-CD2 3.75Å; V511-F513 HydrophobicContact CG1-CE2 4.21Å |
| 512 | S | 24.1 | Very low | 27.4 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | | | trans | -107.6 | 138.1 | 165.9 | -47.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 513 | F | 26.6 | Very low | 27 | Very low | 202 Ų | 202 | 141.3 Ų | 141.3 | 89% | 0.886 | 81% | 0.811 | S | S | * | * | | | trans | -148.8 | 123 | 160.6 | -99 | -71.7 | 0 | 0 | 0 | 112.9 | V511 | V511-F513 HydrophobicContact CG1-CD2 3.75Å; V511-F513 HydrophobicContact CG1-CE2 4.21Å |
| 514 | S | 24.5 | Very low | 27.1 | Very low | 118 Ų | 118 | 139.3 Ų | 139.3 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | | | trans | -96.5 | 137.6 | 157.9 | 46.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 515 | G | 27.1 | Very low | 27.2 | Very low | 72 Ų | 72 | 142.5 Ų | 142.5 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | | | trans | -173.6 | 96.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 516 | H | 26.9 | Very low | 27.2 | Very low | 195 Ų | 195 | 140.5 Ų | 140.5 | 90% | 0.903 | 82% | 0.817 | S | S | * | * | | | trans | 16.3 | 135.5 | 148.6 | -71.8 | 70.6 | 0 | 0 | 0 | 122 | | |
| 517 | S | 22.8 | Very low | 27.3 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | | | trans | -69.5 | -168.7 | 167.3 | -24.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 518 | P | 35.5 | Very low | 27.4 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | | | cis | -131.9 | 169.8 | -22 | 38.1 | -23.1 | 0 | 0 | 0 | 113.7 | | |
| 519 | M | 26.9 | Very low | 27.6 | Very low | 190 Ų | 190 | 145.4 Ų | 145.4 | 94% | 0.936 | 82% | 0.815 | S | S | * | * | | | trans | -176.9 | 149.2 | 137.9 | -102.6 | 177.2 | 91 | 0 | 0 | 112.6 | | |
| 520 | M | 23.8 | Very low | 27.7 | Very low | 171 Ų | 171 | 144.8 Ų | 144.8 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | | | trans | -108.1 | 176.7 | 177.6 | -88.6 | -81.5 | 171.3 | 0 | 0 | 109.7 | | |
| 521 | P | 33.9 | Very low | 27.9 | Very low | 100 Ų | 100 | 141.8 Ų | 141.8 | 65% | 0.649 | 81% | 0.812 | S | S | * | * | | | cis | -136 | -165.2 | -12.5 | 27.5 | -2.5 | 0 | 0 | 0 | 114.3 | | |
| 522 | T | 24.4 | Very low | 28.2 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | | | trans | 91.2 | 128.2 | 152.2 | 58.7 | 0 | 0 | 0 | 0 | 123.2 | | |
| 523 | C | 23.3 | Very low | 28.4 | Very low | 131 Ų | 131 | 148.9 Ų | 148.9 | 89% | 0.885 | 82% | 0.82 | S | S | * | * | | | trans | 70.8 | 106.4 | 143.8 | -68 | 0 | 0 | 0 | 0 | 121.9 | | |
| 524 | G | 29.4 | Very low | 28.6 | Very low | 81 Ų | 81 | 145.2 Ų | 145.2 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | | | trans | -164.5 | 101.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 525 | R | 28.1 | Very low | 29 | Very low | 246 Ų | 246 | 149.8 Ų | 149.8 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -81 | 147.2 | -179.6 | -71.7 | 175 | 170.5 | 166.8 | -4.4 | 112 | | |
| 526 | P | 31.6 | Very low | 29.3 | Very low | 127 Ų | 127 | 153.7 Ų | 153.7 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 153.2 | 161.3 | 32.4 | -33.1 | 0 | 0 | 0 | 111.6 | | |
| 527 | I | 32.4 | Very low | 29.6 | Very low | 167 Ų | 167 | 150.5 Ų | 150.5 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 141.3 | -171.1 | -65.9 | 169 | 0 | 0 | 0 | 111.5 | | |
| 528 | S | 26.8 | Very low | 30 | Very low | 97 Ų | 97 | 152 Ų | 152 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 136.4 | 175 | 163.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 529 | I | 32.4 | Very low | 29.8 | Very low | 168 Ų | 168 | 153 Ų | 153 | 86% | 0.862 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 141.3 | 157.1 | -62.1 | 177.3 | 0 | 0 | 0 | 107.9 | | |
| 530 | R | 31.1 | Very low | 29.7 | Very low | 218 Ų | 218 | 151.5 Ų | 151.5 | 82% | 0.823 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 155.1 | -165.6 | -69.1 | 175.7 | 169.8 | 176.4 | -3.7 | 113.9 | | |
| 531 | S | 28.4 | Very low | 29.9 | Very low | 110 Ų | 110 | 151.2 Ų | 151.2 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | | | trans | 60.5 | 129 | 158.2 | 52.7 | 0 | 0 | 0 | 0 | 116.4 | | |
| 532 | I | 32.2 | Very low | 29.8 | Very low | 170 Ų | 170 | 150.6 Ų | 150.6 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | | | | -122 | 161.3 | 58 | -72 | 154.1 | 0 | 0 | 0 | 113.2 | | |
| 533 | R | 28.3 | Very low | 30.1 | Very low | 209 Ų | 209 | 149.8 Ų | 149.8 | 79% | 0.789 | 81% | 0.812 | S | S | * | * | | | trans | -77.4 | 145.8 | -160.7 | -57.4 | 167.3 | 175.8 | 154.8 | -2.9 | 115.5 | | |
| 534 | P | 30.4 | Very low | 30.6 | Very low | 125 Ų | 125 | 149 Ų | 149 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | | | trans | -104.2 | 146.4 | 139.2 | 34.5 | -27.7 | 0 | 0 | 0 | 111.2 | | |
| 535 | R | 32.5 | Very low | 30.5 | Very low | 214 Ų | 214 | 151.8 Ų | 151.8 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | | | trans | -103.9 | 109.8 | 176.8 | -89.8 | -174.1 | 168.2 | 177.4 | -3.8 | 112.1 | | |
| 536 | Q | 33.5 | Very low | 30.6 | Very low | 155 Ų | 155 | 145.2 Ų | 145.2 | 72% | 0.724 | 81% | 0.805 | S | S | * | * | | | trans | 38.1 | 127.3 | 143.8 | -65.8 | 179.9 | -59.9 | 0 | 0 | 121.6 | | |
| 537 | P | 32.9 | Very low | 30.5 | Very low | 127 Ų | 127 | 142.8 Ų | 142.8 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | | | trans | -93.5 | 144.4 | 137.6 | 35.3 | -27.4 | 0 | 0 | 0 | 111.1 | | |
| 538 | N | 32.5 | Very low | 30.4 | Very low | 145 Ų | 145 | 144.2 Ų | 144.2 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | | | trans | -113.1 | 142.5 | 168.4 | -94.1 | -1.8 | 0 | 0 | 0 | 110.6 | | |
| 539 | T | 30.6 | Very low | 30.9 | Very low | 135 Ų | 135 | 145.4 Ų | 145.4 | 83% | 0.828 | 81% | 0.814 | S | S | * | * | | | trans | -96.2 | 136.6 | -174.9 | 44.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 540 | L | 25.5 | Very low | 30.7 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | | | trans | 7.7 | 139.1 | 144.6 | -59.5 | 163.4 | 0 | 0 | 0 | 119.8 | | |
| 541 | I | 28.6 | Very low | 31.1 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | | 176.3 | 147.8 | 110.7 | -89.8 | 157.9 | 0 | 0 | 0 | 112.1 | | |
| 542 | A | 30.7 | Very low | 31.3 | Very low | 87 Ų | 87 | 144.4 Ų | 144.4 | 72% | 0.719 | 81% | 0.806 | S | S | * | * | | | trans | 68.9 | 140.5 | 167 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 543 | S | 30.7 | Very low | 31.1 | Very low | 110 Ų | 110 | 144.5 Ų | 144.5 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | cis | -167.2 | 158.6 | -16.6 | 39.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 544 | P | 33.2 | Very low | 31.3 | Very low | 113 Ų | 113 | 143 Ų | 143 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | | | trans | -103.5 | 158.3 | -170.7 | 38.5 | -34.2 | 0 | 0 | 0 | 115.3 | | |
| 545 | T | 28.4 | Very low | 31.5 | Very low | 141 Ų | 141 | 148.1 Ų | 148.1 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | | | | 173.4 | 150.1 | 121.5 | 26.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 546 | A | 30.2 | Very low | 31.7 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | | | trans | 69.4 | 132.7 | 148.6 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 547 | G | 28.8 | Very low | 31.8 | Very low | 76 Ų | 76 | 141.8 Ų | 141.8 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | | | trans | 157.9 | 97.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 548 | H | 31 | Very low | 31.8 | Very low | 197 Ų | 197 | 144.1 Ų | 144.1 | 91% | 0.912 | 81% | 0.814 | S | S | * | * | | | trans | -35.3 | 151.7 | 176.6 | -60.5 | -66.1 | 0 | 0 | 0 | 117.1 | | |
| 549 | S | 35.9 | Very low | 31.8 | Very low | 122 Ų | 122 | 148.4 Ų | 148.4 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | | | cis | -159.8 | 175.4 | 48.7 | 50.1 | 0 | 0 | 0 | 0 | 115.2 | | |
| 550 | D | 29.7 | Very low | 31.8 | Very low | 153 Ų | 153 | 147.5 Ų | 147.5 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | trans | -110.4 | -167.7 | -163.5 | -154.5 | 21 | 0 | 0 | 0 | 112.2 | | |
| 551 | P | 40 | Very low | 32 | Very low | 94 Ų | 94 | 146.8 Ų | 146.8 | 61% | 0.61 | 81% | 0.814 | S | S | * | * | | | | -121 | 168.2 | -105.1 | 38.6 | -22.9 | 0 | 0 | 0 | 115.7 | | |
| 552 | R | 30.6 | Very low | 32.3 | Very low | 228 Ų | 228 | 144.8 Ų | 144.8 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | | | trans | -179.6 | 142.9 | 137.6 | -101.7 | 162.8 | -152.4 | -161.6 | 6.2 | 113.1 | | |
| 553 | H | 28.9 | Very low | 32.2 | Very low | 171 Ų | 171 | 145.3 Ų | 145.3 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | | | trans | 40.4 | 108.2 | 162.1 | -59.6 | -70.4 | 0 | 0 | 0 | 119.4 | | |
| 554 | L | 33.4 | Very low | 32.3 | Very low | 178 Ų | 178 | 147.6 Ų | 147.6 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | | | | -171.7 | 153.1 | 118.2 | -97.2 | 158.4 | 0 | 0 | 0 | 110.2 | | |
| 555 | R | 33.4 | Very low | 32.2 | Very low | 233 Ų | 233 | 147.7 Ų | 147.7 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | | | trans | -69.9 | 150.1 | -175.4 | -70.2 | 174.6 | 173.2 | 161.5 | -4.2 | 111.8 | P557 | R555-P557 WeakPolarHBondContact O-CD 3.41Š|
| 556 | P | 37.1 | Very low | 32 | Very low | 114 Ų | 114 | 150.2 Ų | 150.2 | 74% | 0.74 | 81% | 0.811 | S | S | * | * | | | trans | -76 | 126.2 | 170.6 | 31.1 | -32.6 | 0 | 0 | 0 | 111.1 | M558 | P556-M558 PolarHBondContact O-N 3.14Š|
| 557 | P | 36.4 | Very low | 32 | Very low | 121 Ų | 121 | 151.7 Ų | 151.7 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | | | trans | -83.8 | 99.6 | 163.9 | 31.9 | -28.8 | 0 | 0 | 0 | 109 | R555 R559 | R555-P557 WeakPolarHBondContact O-CD 3.41Å; P557-R559 PolarHBondContact O-N 3.37Å; P557-R559 VanDerWaalsContact O-N 3.14Å |
| 558 | M | 31.8 | Very low | 31.8 | Very low | 177 Ų | 177 | 156.6 Ų | 156.6 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | | | trans | -65 | 114 | 165.3 | -81 | -164.8 | 69.6 | 0 | 0 | 109.1 | P556 | P556-M558 PolarHBondContact O-N 3.14Š|
| 559 | R | 31.9 | Very low | 31.5 | Very low | 235 Ų | 235 | 153.1 Ų | 153.1 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 134.7 | 167.6 | -84.1 | -178.6 | 166.6 | 173.3 | -4.6 | 109.6 | P557 | P557-R559 PolarHBondContact O-N 3.37Å; P557-R559 VanDerWaalsContact O-N 3.14Å |
| 560 | S | 30.5 | Very low | 31 | Very low | 115 Ų | 115 | 150.8 Ų | 150.8 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 139.2 | -175.5 | 48.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 561 | I | 31.8 | Very low | 30.8 | Very low | 144 Ų | 144 | 149.9 Ų | 149.9 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 135.8 | 163.7 | -60.5 | 166.4 | 0 | 0 | 0 | 108.2 | S563 | I561-S563 PolarHBondContact O-N 3.39Š|
| 562 | P | 33.9 | Very low | 30.4 | Very low | 124 Ų | 124 | 151.1 Ų | 151.1 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | | | trans | -83.8 | 109.8 | 172.3 | 32 | -30.6 | 0 | 0 | 0 | 110.9 | | |
| 563 | S | 28.1 | Very low | 30.6 | Very low | 97 Ų | 97 | 149.7 Ų | 149.7 | 68% | 0.678 | 82% | 0.816 | S | S | * | * | | | trans | -137.5 | 113.6 | 164 | 58.3 | 0 | 0 | 0 | 0 | 109.1 | I561 | I561-S563 PolarHBondContact O-N 3.39Š|
| 564 | I | 32.6 | Very low | 30.6 | Very low | 158 Ų | 158 | 151.6 Ų | 151.6 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | | | trans | -140.7 | 136.5 | -178.5 | -64.4 | 175.5 | 0 | 0 | 0 | 106.3 | | |
| 565 | N | 30.9 | Very low | 30.4 | Very low | 116 Ų | 116 | 148 Ų | 148 | 62% | 0.62 | 81% | 0.811 | S | S | * | * | | | cis | -155.6 | 133.5 | -24.3 | -107.9 | -14.6 | 0 | 0 | 0 | 106 | | |
| 566 | M | 24.3 | Very low | 30.1 | Very low | 193 Ų | 193 | 144.1 Ų | 144.1 | 95% | 0.951 | 81% | 0.807 | S | S | * | * | | | trans | -130.1 | 106.4 | 153.2 | -83.9 | -165.3 | -64.8 | 0 | 0 | 106.3 | | |
| 567 | I | 31.4 | Very low | 29.8 | Very low | 140 Ų | 140 | 145.7 Ų | 145.7 | 72% | 0.718 | 81% | 0.808 | S | S | * | * | | | trans | -97.7 | 107.5 | 178.4 | -62.1 | 174.1 | 0 | 0 | 0 | 107.2 | | |
| 568 | M | 23.3 | Very low | 29.4 | Very low | 178 Ų | 178 | 146.5 Ų | 146.5 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | | | trans | -95.9 | 158.2 | 147.9 | -74.8 | -152.1 | -51.8 | 0 | 0 | 109.5 | | |
| 569 | S | 25.6 | Very low | 29.3 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | | | trans | -69.9 | 154.9 | -168.2 | 37.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 570 | G | 24.9 | Very low | 29 | Very low | 73 Ų | 73 | 139.5 Ų | 139.5 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | | | trans | 166.4 | 91.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 571 | C | 26 | Very low | 29 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 91% | 0.912 | 79% | 0.789 | S | S | * | * | | | trans | -137.2 | 97.8 | 164.3 | -137.1 | 0 | 0 | 0 | 0 | 110 | | |
| 572 | P | 31.6 | Very low | 28.9 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | | | trans | -101.5 | 124.1 | 169.4 | 33.7 | -25.4 | 0 | 0 | 0 | 110.6 | | |
| 573 | Q | 34.6 | Very low | 29.1 | Very low | 198 Ų | 198 | 139 Ų | 139 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | | | trans | -127.3 | 146.2 | 159.8 | -83 | -164.4 | -23.7 | 0 | 0 | 111.1 | | |
| 574 | K | 28.8 | Very low | 29.2 | Very low | 210 Ų | 210 | 139.5 Ų | 139.5 | 91% | 0.913 | 79% | 0.794 | S | S | * | * | | | trans | -85.3 | 140.8 | -168.7 | -59.8 | 167 | 172.4 | 178.2 | 0 | 112.3 | | |
| 575 | S | 29.4 | Very low | 29.5 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | | | trans | -174.2 | 107.8 | 135.5 | 53.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 576 | L | 26.8 | Very low | 29.5 | Very low | 153 Ų | 153 | 137.6 Ų | 137.6 | 80% | 0.801 | 80% | 0.798 | S | S | * | * | | | | 86.5 | 111.6 | 90 | -83.9 | 153.7 | 0 | 0 | 0 | 113.4 | | |
| 577 | I | 31.5 | Very low | 30 | Very low | 147 Ų | 147 | 143.7 Ų | 143.7 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | | | trans | 80.7 | 141.2 | 145.8 | -57.8 | 169 | 0 | 0 | 0 | 117.6 | | |
| 578 | D | 26.9 | Very low | 29.9 | Very low | 137 Ų | 137 | 143.9 Ų | 143.9 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | | | trans | -58.6 | -175.4 | -175.6 | -51.4 | -81.4 | 0 | 0 | 0 | 117.3 | | |
| 579 | D | 29.6 | Very low | 30.3 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 77% | 0.765 | 81% | 0.812 | S | S | * | * | | | trans | 91.3 | 90.4 | 157.9 | -65.7 | -24.7 | 0 | 0 | 0 | 120.4 | | |
| 580 | V | 27.2 | Very low | 30.6 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 74% | 0.739 | 81% | 0.809 | S | S | * | * | | | | 68 | 112.9 | 107 | 172 | 0 | 0 | 0 | 0 | 119.1 | | |
| 581 | S | 29.1 | Very low | 30.9 | Very low | 101 Ų | 101 | 147.2 Ų | 147.2 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | | | trans | 76.1 | 119.5 | 145.6 | 67 | 0 | 0 | 0 | 0 | 122.4 | | |
| 582 | D | 30.2 | Very low | 31.2 | Very low | 162 Ų | 162 | 147.9 Ų | 147.9 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | | | trans | 68.6 | 147.1 | 135.4 | -90.1 | -11.4 | 0 | 0 | 0 | 123.9 | | |
| 583 | P | 37.7 | Very low | 31.2 | Very low | 109 Ų | 109 | 149.8 Ų | 149.8 | 71% | 0.708 | 81% | 0.808 | S | S | * | * | | | trans | -98.2 | 147.9 | -171.1 | 38.4 | -34.2 | 0 | 0 | 0 | 113.7 | | |
| 584 | S | 31.7 | Very low | 30.9 | Very low | 108 Ų | 108 | 146.4 Ų | 146.4 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | | | trans | -178.5 | 166.9 | 140.4 | 47.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 585 | T | 37.2 | Very low | 31.1 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | trans | 71.6 | 85.6 | 166 | 59.6 | 0 | 0 | 0 | 0 | 119.4 | | |
| 586 | S | 31.9 | Very low | 31.2 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | | | | 36.1 | 119.6 | 121.1 | 62.8 | 0 | 0 | 0 | 0 | 120.6 | | |
| 587 | R | 34.9 | Very low | 31.6 | Very low | 321 Ų | 321 | 144 Ų | 144 | 100% | 1.211 | 80% | 0.797 | S | S | * | * | | | | -146.9 | 0 | 127.5 | -116.1 | -178.7 | -172.3 | -177.3 | 3.5 | 111.1 | | |