| 1 | M | 69.1 | Low | 80.7 | Confident | 242 Ų | 242 | 159.3 Ų | 159.3 | 100% | 1.192 | 80% | 0.804 | S | S | * | * | | | | 0 | 131.8 | 0 | -79.7 | 178.5 | 173.5 | 0 | 0 | 107.1 | | |
| 2 | E | 77.4 | Confident | 81.3 | Confident | 163 Ų | 163 | 153.8 Ų | 153.8 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | | | trans | -58.3 | 135.1 | 175.9 | -97.7 | -139.3 | 128.7 | 0 | 0 | 110.8 | N4 | E2-N4 PolarHBondContact O-N 3.22Š|
| 3 | P | 74.6 | Confident | 81.6 | Confident | 118 Ų | 118 | 151.5 Ų | 151.5 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -6 | -171.6 | 28.5 | -34.5 | 0 | 0 | 0 | 114.8 | | |
| 4 | N | 77.4 | Confident | 81.7 | Confident | 143 Ų | 143 | 147.9 Ų | 147.9 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | 9.3 | -173.2 | -79.4 | -62.9 | 0 | 0 | 0 | 115.3 | E2 | E2-N4 PolarHBondContact O-N 3.22Š|
| 5 | S | 81.6 | Confident | 81.3 | Confident | 87 Ų | 87 | 149.1 Ų | 149.1 | 61% | 0.608 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -73.4 | 134.3 | 174.4 | 179.6 | 0 | 0 | 0 | 0 | 110.7 | K7 | S5-K7 PolarHBondContact O-N 3.23Š|
| 6 | P | 83.3 | Confident | 80.6 | Confident | 113 Ų | 113 | 151.6 Ų | 151.6 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | trans | -51.7 | 128.8 | 170.3 | -23.2 | 31.9 | 0 | 0 | 0 | 110.1 | K8 | P6-K8 PolarHBondContact O-N 3.04Š|
| 7 | K | 82.9 | Confident | 80 | Confident | 202 Ų | 202 | 153.6 Ų | 153.6 | 88% | 0.878 | 80% | 0.8 | S | S | * | * | | | trans | -62.5 | 111.5 | 178.6 | -72 | -179.8 | 177 | 170.4 | 0 | 108.6 | S5 I9 | S5-K7 PolarHBondContact O-N 3.23Å; K7-I9 PolarHBondContact O-N 3.37Å |
| 8 | K | 83.9 | Confident | 79.2 | Confident | 188 Ų | 188 | 148.6 Ų | 148.6 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | | | trans | -68.8 | 118 | 168.6 | -66.7 | -171.1 | 73.8 | 179.1 | 0 | 107.8 | P6 Q10 | P6-K8 PolarHBondContact O-N 3.04Å; K8-Q10 PolarHBondContact O-N 3.25Å |
| 9 | I | 84.6 | Confident | 78.8 | Confident | 130 Ų | 130 | 150.9 Ų | 150.9 | 67% | 0.667 | 79% | 0.786 | S | S | * | * | | | trans | -68.9 | 125.7 | 172.5 | -58.5 | 171.6 | 0 | 0 | 0 | 107.1 | K7 F11 | K7-I9 PolarHBondContact O-N 3.37Å; I9-F11 HydrophobicContact CB-CE2 4.3Å; I9-F11 HydrophobicContact CG2-CD2 4.06Å; I9-F11 HydrophobicContact CG2-CE1 4.2Å; I9-F11 HydrophobicContact CG2-CE2 3.69Å; I9-F11 HydrophobicContact CG2-CG 4.47Å; I9-F11 HydrophobicContact CG2-CZ 3.78Å |
| 10 | Q | 87.1 | Confident | 78.6 | Confident | 181 Ų | 181 | 147.6 Ų | 147.6 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | | | trans | -100.3 | 111.3 | 170.8 | -62.8 | -177.1 | 37.2 | 0 | 0 | 107.2 | K8 | K8-Q10 PolarHBondContact O-N 3.25Š|
| 11 | F | 86.3 | Confident | 78.9 | Confident | 185 Ų | 185 | 143.5 Ų | 143.5 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 117.9 | 169.2 | -68.4 | -81 | 0 | 0 | 0 | 108 | I9 | I9-F11 HydrophobicContact CB-CE2 4.3Å; I9-F11 HydrophobicContact CG2-CD2 4.06Å; I9-F11 HydrophobicContact CG2-CE1 4.2Å; I9-F11 HydrophobicContact CG2-CE2 3.69Å; I9-F11 HydrophobicContact CG2-CG 4.47Å; I9-F11 HydrophobicContact CG2-CZ 3.78Å |
| 12 | A | 87.3 | Confident | 79.3 | Confident | 93 Ų | 93 | 137.3 Ų | 137.3 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 138.4 | 171 | 0 | 0 | 0 | 0 | 0 | 109.4 | P14 | A12-P14 WeakPolarHBondContact O-CD 3.37Š|
| 13 | V | 85.8 | Confident | 79.6 | Confident | 124 Ų | 124 | 136.2 Ų | 136.2 | 75% | 0.752 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 120.1 | 169.5 | 178.5 | 0 | 0 | 0 | 0 | 107.7 | L15 | V13-L15 PolarHBondContact O-N 3.12Š|
| 14 | P | 83 | Confident | 80 | Confident | 102 Ų | 102 | 132.3 Ų | 132.3 | 66% | 0.662 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 130.4 | 172.9 | -22 | 33.9 | 0 | 0 | 0 | 109.8 | A12 F16 | A12-P14 WeakPolarHBondContact O-CD 3.37Å; P14-F16 PolarHBondContact O-N 3.18Å; P14-F16 VanDerWaalsContact O-N 3.13Å |
| 15 | L | 75.2 | Confident | 80.2 | Confident | 166 Ų | 166 | 126 Ų | 126 | 87% | 0.869 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 116.8 | 173.8 | -71.1 | 169.3 | 0 | 0 | 0 | 108.6 | V13 Q17 | V13-L15 PolarHBondContact O-N 3.12Å; L15-Q17 PolarHBondContact O-N 2.91Å; L15-Q17 VanDerWaalsContact O-N 3.1Å |
| 16 | F | 70.2 | Confident | 80.3 | Confident | 188 Ų | 188 | 126.9 Ų | 126.9 | 83% | 0.825 | 67% | 0.669 | S | S | * | * | | | trans | -67.7 | 109.8 | 173.8 | -78.2 | -87.2 | 0 | 0 | 0 | 109 | P14 S18 | P14-F16 PolarHBondContact O-N 3.18Å; P14-F16 VanDerWaalsContact O-N 3.13Å; F16-S18 PolarHBondContact O-N 3.33Å |
| 17 | Q | 69.6 | Low | 80.7 | Confident | 187 Ų | 187 | 126.7 Ų | 126.7 | 87% | 0.874 | 66% | 0.658 | S | S | * | * | | | trans | -75.1 | 81.4 | 170.4 | -65.6 | -179.1 | -8.3 | 0 | 0 | 108.5 | L15 Q19 | L15-Q17 PolarHBondContact O-N 2.91Å; L15-Q17 VanDerWaalsContact O-N 3.1Å; Q17-Q19 PolarHBondContact O-N 2.93Å |
| 18 | S | 67.1 | Low | 80.7 | Confident | 63 Ų | 63 | 120.2 Ų | 120.2 | 44% | 0.441 | 63% | 0.632 | S | S | . | * | | | trans | -78.6 | -0.4 | -177.7 | 57.9 | 0 | 0 | 0 | 0 | 114.3 | F16 I20 | F16-S18 PolarHBondContact O-N 3.33Å; S18-I20 PolarHBondContact O-N 3.13Å |
| 19 | Q | 70.2 | Confident | 80.7 | Confident | 193 Ų | 193 | 115 Ų | 115 | 90% | 0.902 | 61% | 0.607 | S | S | * | * | | | trans | -81 | 69 | -179 | -60.3 | -167 | 44.5 | 0 | 0 | 110.8 | Q17 | Q17-Q19 PolarHBondContact O-N 2.93Š|
| 20 | I | 75.4 | Confident | 80.8 | Confident | 84 Ų | 84 | 116.8 Ų | 116.8 | 43% | 0.431 | 61% | 0.61 | S | S | . | * | | | trans | -85.6 | 147.5 | 162.8 | 59.1 | 172.9 | 0 | 0 | 0 | 109 | S18 A25 I28 | S18-I20 PolarHBondContact O-N 3.13Å; I20-A25 VanDerWaalsContact CD1-CA 3.47Å; I20-A25 HydrophobicContact CD1-CB 3.62Å; I20-A25 HydrophobicContact CG1-CB 4Å; I20-I28 HydrophobicContact CD1-CD1 3.89Å |
| 21 | A | 84.5 | Confident | 80.8 | Confident | 61 Ų | 61 | 118.4 Ų | 118.4 | 50% | 0.504 | 61% | 0.609 | S | S | . | * | | | trans | -55.4 | 142.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | E23 A24 A25 | A21-E23 PolarHBondContact O-N 3.1Å; A21-E23 VanDerWaalsContact O-N 3.13Å; A21-A24 HydrophobicContact CB-CB 4.32Å; A21-A24 WeakPolarHBondContact O-CA 3.47Å; A21-A24 WeakPolarHBondContact O-CB 3.29Å; A21-A24 PolarHBondContact O-N 3.31Å; A21-A25 PolarHBondContact O-N 3.21Å |
| 22 | P | 79 | Confident | 80.6 | Confident | 113 Ų | 113 | 116 Ų | 116 | 73% | 0.734 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -51.8 | -40.1 | -178.1 | -28.2 | 34.5 | 0 | 0 | 0 | 113.2 | A25 E26 | P22-A25 WeakPolarHBondContact O-CB 3.48Å; P22-A25 PolarHBondContact O-N 3.35Å; P22-E26 PolarHBondContact O-N 3.46Å |
| 23 | E | 83.9 | Confident | 80.5 | Confident | 140 Ų | 140 | 118 Ų | 118 | 65% | 0.654 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64 | -41.1 | 177 | -170.9 | -179.6 | 172.7 | 0 | 0 | 112.5 | A21 A25 E26 Q27 | A21-E23 PolarHBondContact O-N 3.1Å; A21-E23 VanDerWaalsContact O-N 3.13Å; E23-A25 VanDerWaalsContact C-N 3.34Å; E23-A25 PolarHBondContact O-N 2.9Å; E23-E26 PolarHBondContact O-N 3.19Å; E23-Q27 WeakPolarHBondContact O-CG 3.42Å; E23-Q27 PolarHBondContact O-N 3Å |
| 24 | A | 82.4 | Confident | 79.9 | Confident | 35 Ų | 35 | 117.5 Ų | 117.5 | 29% | 0.289 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.1 | -35.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A21 E26 Q27 I28 | A21-A24 HydrophobicContact CB-CB 4.32Å; A21-A24 WeakPolarHBondContact O-CA 3.47Å; A21-A24 WeakPolarHBondContact O-CB 3.29Å; A21-A24 PolarHBondContact O-N 3.31Å; A24-E26 VanDerWaalsContact C-N 3.31Å; A24-E26 PolarHBondContact O-N 2.62Å; A24-Q27 PolarHBondContact O-N 2.95Å; A24-I28 WeakPolarHBondContact O-CG1 3.45Å; A24-I28 PolarHBondContact O-N 2.94Å |
| 25 | A | 81.1 | Confident | 78.9 | Confident | 11 Ų | 11 | 117.5 Ų | 117.5 | 9% | 0.091 | 60% | 0.597 | C | S | . | * | H | α-helix | trans | -60.2 | -42.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I20 A21 P22 E23 I28 R29 | I20-A25 VanDerWaalsContact CD1-CA 3.47Å; I20-A25 HydrophobicContact CD1-CB 3.62Å; I20-A25 HydrophobicContact CG1-CB 4Å; A21-A25 PolarHBondContact O-N 3.21Å; P22-A25 WeakPolarHBondContact O-CB 3.48Å; P22-A25 PolarHBondContact O-N 3.35Å; E23-A25 VanDerWaalsContact C-N 3.34Å; E23-A25 PolarHBondContact O-N 2.9Å; A25-I28 PolarHBondContact O-N 3.34Å; A25-R29 WeakPolarHBondContact O-CD 3.26Å; A25-R29 VanDerWaalsContact O-CG 3.25Å; A25-R29 WeakPolarHBondContact O-CG 3.49Å; A25-R29 PolarHBondContact O-N 3.24Å |
| 26 | E | 84.4 | Confident | 78.6 | Confident | 106 Ų | 106 | 111.4 Ų | 111.4 | 50% | 0.495 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.7 | -41.1 | 176.1 | -67.5 | -166 | 174.2 | 0 | 0 | 112.7 | P22 E23 A24 I28 R29 K30 | P22-E26 PolarHBondContact O-N 3.46Å; E23-E26 PolarHBondContact O-N 3.19Å; A24-E26 VanDerWaalsContact C-N 3.31Å; A24-E26 PolarHBondContact O-N 2.62Å; E26-I28 VanDerWaalsContact C-N 3.33Å; E26-I28 PolarHBondContact O-N 2.91Å; E26-R29 WeakPolarHBondContact O-CB 3.25Å; E26-R29 PolarHBondContact O-N 2.82Å; E26-R29 VanDerWaalsContact O-N 3.17Å; E26-K30 WeakPolarHBondContact O-CG 3.23Å; E26-K30 PolarHBondContact O-N 3.17Å |
| 27 | Q | 90 | Very high | 78.3 | Confident | 108 Ų | 108 | 106.7 Ų | 106.7 | 51% | 0.505 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.5 | -43.1 | 176.9 | -69.7 | -177 | 17 | 0 | 0 | 111.7 | E23 A24 R29 K30 R31 | E23-Q27 WeakPolarHBondContact O-CG 3.42Å; E23-Q27 PolarHBondContact O-N 3Å; A24-Q27 PolarHBondContact O-N 2.95Å; Q27-R29 VanDerWaalsContact C-N 3.34Å; Q27-R29 PolarHBondContact O-N 3.32Å; Q27-K30 PolarHBondContact O-N 3.49Å; Q27-R31 WeakPolarHBondContact O-CB 3.42Å; Q27-R31 VanDerWaalsContact O-CG 3.23Å; Q27-R31 WeakPolarHBondContact O-CG 3.45Å; Q27-R31 PolarHBondContact O-N 3.02Å |
| 28 | I | 83.7 | Confident | 77.9 | Confident | 66 Ų | 66 | 102.8 Ų | 102.8 | 34% | 0.338 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 175.1 | -68.3 | 170.7 | 0 | 0 | 0 | 110.7 | I20 A24 A25 E26 R31 R32 | I20-I28 HydrophobicContact CD1-CD1 3.89Å; A24-I28 WeakPolarHBondContact O-CG1 3.45Å; A24-I28 PolarHBondContact O-N 2.94Å; A25-I28 PolarHBondContact O-N 3.34Å; E26-I28 VanDerWaalsContact C-N 3.33Å; E26-I28 PolarHBondContact O-N 2.91Å; I28-R31 PolarHBondContact O-N 3.13Å; I28-R32 VanDerWaalsContact O-CG 3.26Å; I28-R32 WeakPolarHBondContact O-CG 3.4Å; I28-R32 PolarHBondContact O-N 3.19Å; I28-R32 VanDerWaalsContact O-N 3.15Å |
| 29 | R | 84.1 | Confident | 77.5 | Confident | 78 Ų | 78 | 104.8 Ų | 104.8 | 29% | 0.294 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.1 | -43.4 | 177.5 | -75.8 | 165 | 137.4 | 178.1 | -17.6 | 112.8 | A25 E26 Q27 A36 L38 | A25-R29 WeakPolarHBondContact O-CD 3.26Å; A25-R29 VanDerWaalsContact O-CG 3.25Å; A25-R29 WeakPolarHBondContact O-CG 3.49Å; A25-R29 PolarHBondContact O-N 3.24Å; E26-R29 WeakPolarHBondContact O-CB 3.25Å; E26-R29 PolarHBondContact O-N 2.82Å; E26-R29 VanDerWaalsContact O-N 3.17Å; Q27-R29 VanDerWaalsContact C-N 3.34Å; Q27-R29 PolarHBondContact O-N 3.32Å; R29-A36 WeakPolarHBondContact CG-O 3.44Å; R29-A36 PolarHBondContact NE-O 3.35Å; R29-L38 VanDerWaalsContact CZ-CB 3.41Å; R29-L38 VanDerWaalsContact NH2-CB 3.27Å |
| 30 | K | 86.4 | Confident | 77.2 | Confident | 169 Ų | 169 | 99.9 Ų | 99.9 | 74% | 0.735 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -72.1 | -28.7 | -180 | -69.8 | -177.3 | -170.9 | 174.4 | 0 | 113.3 | E26 Q27 | E26-K30 WeakPolarHBondContact O-CG 3.23Å; E26-K30 PolarHBondContact O-N 3.17Å; Q27-K30 PolarHBondContact O-N 3.49Å |
| 31 | R | 86.3 | Confident | 76.2 | Confident | 214 Ų | 214 | 101.9 Ų | 101.9 | 81% | 0.808 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -83.1 | -17.4 | 178.2 | -69.4 | 175.9 | 69.6 | -171.8 | 2.2 | 113.3 | Q27 I28 | Q27-R31 WeakPolarHBondContact O-CB 3.42Å; Q27-R31 VanDerWaalsContact O-CG 3.23Å; Q27-R31 WeakPolarHBondContact O-CG 3.45Å; Q27-R31 PolarHBondContact O-N 3.02Å; I28-R31 PolarHBondContact O-N 3.13Å |
| 32 | R | 83.6 | Confident | 74.6 | Confident | 134 Ų | 134 | 105.9 Ų | 105.9 | 51% | 0.506 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -77.8 | 135.6 | 175.2 | -75.1 | 173.3 | -174.3 | -168.6 | 5.2 | 109.6 | I28 T34 | I28-R32 VanDerWaalsContact O-CG 3.26Å; I28-R32 WeakPolarHBondContact O-CG 3.4Å; I28-R32 PolarHBondContact O-N 3.19Å; I28-R32 VanDerWaalsContact O-N 3.15Å; R32-T34 WeakPolarHBondContact CB-O 3.42Å; R32-T34 PolarHBondContact O-N 3.29Å; R32-T34 VanDerWaalsContact O-N 3.15Å |
| 33 | P | 84.2 | Confident | 73.3 | Confident | 137 Ų | 137 | 108.1 Ų | 108.1 | 89% | 0.89 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -58.6 | -24.6 | 174.4 | -24.5 | 33.7 | 0 | 0 | 0 | 113.7 | | |
| 34 | T | 73.6 | Confident | 71.6 | Confident | 112 Ų | 112 | 109.6 Ų | 109.6 | 69% | 0.687 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -120.2 | 117.7 | 171.8 | -43.8 | 0 | 0 | 0 | 0 | 108.1 | R32 A36 | R32-T34 WeakPolarHBondContact CB-O 3.42Å; R32-T34 PolarHBondContact O-N 3.29Å; R32-T34 VanDerWaalsContact O-N 3.15Å; T34-A36 PolarHBondContact O-N 3.44Å |
| 35 | P | 62 | Low | 69.8 | Low | 103 Ų | 103 | 115.1 Ų | 115.1 | 67% | 0.669 | 59% | 0.59 | S | S | * | * | | | trans | -65.6 | 106.6 | 179.9 | 24.9 | -31.5 | 0 | 0 | 0 | 109.1 | S37 | P35-S37 PolarHBondContact O-N 3.32Š|
| 36 | A | 68.3 | Low | 68.3 | Low | 37 Ų | 37 | 118.7 Ų | 118.7 | 31% | 0.306 | 61% | 0.612 | S | S | . | * | | | trans | -68.8 | 113.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | R29 T34 L38 | R29-A36 WeakPolarHBondContact CG-O 3.44Å; R29-A36 PolarHBondContact NE-O 3.35Å; T34-A36 PolarHBondContact O-N 3.44Å; A36-L38 PolarHBondContact O-N 2.92Å |
| 37 | S | 63.6 | Low | 66.6 | Low | 90 Ų | 90 | 119.7 Ų | 119.7 | 63% | 0.629 | 63% | 0.628 | S | S | * | * | | | trans | -61.8 | 128.6 | 165.7 | -168.1 | 0 | 0 | 0 | 0 | 107.8 | P35 V39 | P35-S37 PolarHBondContact O-N 3.32Å; S37-V39 PolarHBondContact O-N 3.05Å |
| 38 | L | 62 | Low | 64.6 | Low | 104 Ų | 104 | 123.4 Ų | 123.4 | 55% | 0.545 | 65% | 0.645 | S | S | . | * | | | trans | -70.5 | 82.7 | 176.9 | -179 | 71.4 | 0 | 0 | 0 | 105.9 | R29 A36 I40 | R29-L38 VanDerWaalsContact CZ-CB 3.41Å; R29-L38 VanDerWaalsContact NH2-CB 3.27Å; A36-L38 PolarHBondContact O-N 2.92Å; L38-I40 HydrophobicContact CD1-CD1 4.24Å; L38-I40 HydrophobicContact CD1-CG1 4.26Å |
| 39 | V | 58.1 | Low | 63.3 | Low | 106 Ų | 106 | 127.2 Ų | 127.2 | 64% | 0.642 | 67% | 0.665 | S | S | * | * | | | trans | -107.8 | 87.9 | 169.8 | -174.4 | 0 | 0 | 0 | 0 | 105.7 | S37 L41 | S37-V39 PolarHBondContact O-N 3.05Å; V39-L41 VanDerWaalsContact C-N 3.35Å; V39-L41 HydrophobicContact CG1-CB 4.17Å; V39-L41 PolarHBondContact O-N 3.49Å |
| 40 | I | 64.6 | Low | 61.7 | Low | 90 Ų | 90 | 130.3 Ų | 130.3 | 46% | 0.462 | 69% | 0.687 | S | S | . | * | | | trans | -92 | 87.8 | 158.7 | -55.2 | -178.3 | 0 | 0 | 0 | 104.1 | L38 N42 | L38-I40 HydrophobicContact CD1-CD1 4.24Å; L38-I40 HydrophobicContact CD1-CG1 4.26Å; I40-N42 VanDerWaalsContact C-N 3.27Å; I40-N42 WeakPolarHBondContact CG2-OD1 3.36Å; I40-N42 PolarHBondContact O-N 3.29Å |
| 41 | L | 54.4 | Low | 60.1 | Low | 125 Ų | 125 | 128.3 Ų | 128.3 | 65% | 0.654 | 68% | 0.684 | S | S | * | * | | | trans | -70.5 | 91.2 | 172.2 | -166.5 | 76.6 | 0 | 0 | 0 | 107 | V39 E43 | V39-L41 VanDerWaalsContact C-N 3.35Å; V39-L41 HydrophobicContact CG1-CB 4.17Å; V39-L41 PolarHBondContact O-N 3.49Å; L41-E43 HydrophobicContact CD2-CB 4.05Å; L41-E43 VanDerWaalsContact CD2-OE2 3.29Å; L41-E43 WeakPolarHBondContact CD2-OE2 3.44Å; L41-E43 HydrophobicContact CG-CB 4.02Å; L41-E43 PolarHBondContact O-N 3.49Å |
| 42 | N | 50.9 | Low | 58.5 | Low | 145 Ų | 145 | 125.9 Ų | 125.9 | 78% | 0.775 | 68% | 0.68 | S | S | * | * | | | trans | -71.2 | 77.1 | 163.6 | -91.4 | 28.8 | 0 | 0 | 0 | 108 | I40 H44 | I40-N42 VanDerWaalsContact C-N 3.27Å; I40-N42 WeakPolarHBondContact CG2-OD1 3.36Å; I40-N42 PolarHBondContact O-N 3.29Å; N42-H44 VanDerWaalsContact C-N 3.27Å; N42-H44 PolarHBondContact O-N 3.17Å |
| 43 | E | 51.8 | Low | 57 | Low | 161 Ų | 161 | 130.2 Ų | 130.2 | 75% | 0.752 | 70% | 0.696 | S | S | * | * | | | trans | -93.3 | 51.5 | 172.6 | -150.6 | 174.4 | -173.9 | 0 | 0 | 111.4 | L41 | L41-E43 HydrophobicContact CD2-CB 4.05Å; L41-E43 VanDerWaalsContact CD2-OE2 3.29Å; L41-E43 WeakPolarHBondContact CD2-OE2 3.44Å; L41-E43 HydrophobicContact CG-CB 4.02Å; L41-E43 PolarHBondContact O-N 3.49Å |
| 44 | H | 49 | Very low | 54.9 | Low | 170 Ų | 170 | 129.8 Ų | 129.8 | 79% | 0.787 | 69% | 0.69 | S | S | * | * | | | trans | -145.2 | 65.9 | 158.6 | -156.2 | 65.9 | 0 | 0 | 0 | 110.1 | N42 | N42-H44 VanDerWaalsContact C-N 3.27Å; N42-H44 PolarHBondContact O-N 3.17Å |
| 45 | N | 44.3 | Very low | 53.5 | Low | 152 Ų | 152 | 129.9 Ų | 129.9 | 81% | 0.813 | 69% | 0.693 | S | S | * | * | | | trans | -90.2 | 121.9 | 150.9 | -115 | -18.3 | 0 | 0 | 0 | 106.4 | | |
| 46 | P | 48.6 | Very low | 52.4 | Low | 85 Ų | 85 | 131.6 Ų | 131.6 | 55% | 0.552 | 70% | 0.696 | S | S | * | * | | | trans | -61.1 | 150.1 | 165.6 | 27.8 | -31.8 | 0 | 0 | 0 | 109 | E48 | P46-E48 PolarHBondContact O-N 3.05Š|
| 47 | P | 49.5 | Very low | 51.5 | Low | 128 Ų | 128 | 135.8 Ų | 135.8 | 83% | 0.831 | 72% | 0.718 | S | S | * | * | | | trans | -73.8 | 94.2 | -175.8 | 31.3 | -32.5 | 0 | 0 | 0 | 109 | | |
| 48 | E | 47.9 | Very low | 50.6 | Low | 186 Ų | 186 | 140 Ų | 140 | 87% | 0.869 | 73% | 0.728 | S | S | * | * | | | trans | -104.5 | 126.3 | 157.5 | -148 | 172.7 | -165.4 | 0 | 0 | 108.6 | P46 | P46-E48 PolarHBondContact O-N 3.05Š|
| 49 | I | 55 | Low | 49.7 | Very low | 146 Ų | 146 | 138.1 Ų | 138.1 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | | | trans | -71.8 | 124.6 | -165.4 | -61.5 | 139.7 | 0 | 0 | 0 | 109.3 | | |
| 50 | D | 51.2 | Low | 49 | Very low | 143 Ų | 143 | 140.3 Ų | 140.3 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | | | trans | -146.4 | 102.1 | 150.7 | -161.5 | -0.4 | 0 | 0 | 0 | 112.1 | K52 | D50-K52 VanDerWaalsContact C-N 3.32Å; D50-K52 PolarHBondContact O-N 3.49Å |
| 51 | D | 52.2 | Low | 48.4 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 68% | 0.679 | 75% | 0.752 | S | S | * | * | | | trans | -69.4 | 66.1 | 175 | -80.9 | -67.8 | 0 | 0 | 0 | 112.6 | | |
| 52 | K | 54.5 | Low | 48 | Very low | 163 Ų | 163 | 142.5 Ų | 142.5 | 71% | 0.709 | 75% | 0.754 | S | S | * | * | | | trans | -152.3 | 103.8 | 166 | -65.1 | -62 | 170.1 | -66.2 | 0 | 114.8 | D50 | D50-K52 VanDerWaalsContact C-N 3.32Å; D50-K52 PolarHBondContact O-N 3.49Å |
| 53 | R | 51.2 | Low | 48 | Very low | 225 Ų | 225 | 142.4 Ų | 142.4 | 85% | 0.849 | 75% | 0.754 | S | S | * | * | | | trans | 57.8 | 96.3 | 134.9 | -170.5 | -172.7 | -78.8 | 154.9 | -6.3 | 117.4 | | |
| 54 | V | 40.5 | Very low | 48 | Very low | 128 Ų | 128 | 139.1 Ų | 139.1 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | | | | -175.4 | 117.5 | 114.7 | -90.8 | 0 | 0 | 0 | 0 | 110 | N56 | V54-N56 PolarHBondContact O-N 3.17Š|
| 55 | P | 43.7 | Very low | 48 | Very low | 113 Ų | 113 | 135 Ų | 135 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | | | trans | -75.4 | 102.6 | 160.6 | 30.5 | -28.1 | 0 | 0 | 0 | 107.2 | T57 | P55-T57 HydrophobicContact CB-CG2 4.46Å; P55-T57 PolarHBondContact O-N 3.15Å |
| 56 | N | 39.7 | Very low | 48.4 | Very low | 140 Ų | 140 | 134.3 Ų | 134.3 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | | | trans | -71.5 | 87.8 | 166.3 | -172.5 | 24.4 | 0 | 0 | 0 | 108.4 | V54 Q58 | V54-N56 PolarHBondContact O-N 3.17Å; N56-Q58 PolarHBondContact O-N 3.4Å |
| 57 | T | 48.2 | Very low | 48.9 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | | | trans | -80.4 | 92.6 | 168.2 | 48.7 | 0 | 0 | 0 | 0 | 109.5 | P55 | P55-T57 HydrophobicContact CB-CG2 4.46Å; P55-T57 PolarHBondContact O-N 3.15Å |
| 58 | Q | 44.9 | Very low | 49.4 | Very low | 179 Ų | 179 | 140.5 Ų | 140.5 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | | | trans | -167.4 | 124 | 162.5 | -145.7 | 165.9 | -10.6 | 0 | 0 | 109.5 | N56 | N56-Q58 PolarHBondContact O-N 3.4Š|
| 59 | G | 44.4 | Very low | 49.9 | Very low | 64 Ų | 64 | 143 Ų | 143 | 66% | 0.66 | 76% | 0.757 | S | S | * | * | | | cis | -149.8 | 156.2 | 8.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | S61 | G59-S61 PolarHBondContact O-N 3.43Š|
| 60 | E | 43.3 | Very low | 50.2 | Low | 153 Ų | 153 | 144.8 Ų | 144.8 | 72% | 0.715 | 76% | 0.76 | S | S | * | * | | | trans | -28.9 | 119.7 | -175.9 | -70.3 | 149.7 | 78.2 | 0 | 0 | 116.7 | Q62 | E60-Q62 HydrophobicContact CB-CG 4.3Å; E60-Q62 PolarHBondContact O-N 3.34Å; E60-Q62 PolarHBondContact OE1-NE2 3.06Å |
| 61 | S | 51.2 | Low | 50.9 | Low | 111 Ų | 111 | 146.8 Ų | 146.8 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | trans | -55.4 | 91 | 142.1 | -52 | 0 | 0 | 0 | 0 | 109.1 | G59 N63 | G59-S61 PolarHBondContact O-N 3.43Å; S61-N63 PolarHBondContact O-N 3.41Å |
| 62 | Q | 46.8 | Very low | 51.4 | Low | 149 Ų | 149 | 145.7 Ų | 145.7 | 70% | 0.696 | 77% | 0.767 | S | S | * | * | | | trans | -71.2 | 86.8 | 161.7 | -72 | -68 | -38.8 | 0 | 0 | 107.3 | E60 A64 | E60-Q62 HydrophobicContact CB-CG 4.3Å; E60-Q62 PolarHBondContact O-N 3.34Å; E60-Q62 PolarHBondContact OE1-NE2 3.06Å; Q62-A64 PolarHBondContact O-N 2.92Å |
| 63 | N | 49.6 | Very low | 52.5 | Low | 144 Ų | 144 | 144 Ų | 144 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | | | trans | -55.4 | 85 | 157.4 | -97.1 | -67.1 | 0 | 0 | 0 | 108.2 | S61 S65 | S61-N63 PolarHBondContact O-N 3.41Å; N63-S65 VanDerWaalsContact C-N 3.32Å; N63-S65 PolarHBondContact O-N 3.38Å |
| 64 | A | 52 | Low | 53.8 | Low | 92 Ų | 92 | 142 Ų | 142 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | | | trans | -66.5 | 100.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | Q62 | Q62-A64 PolarHBondContact O-N 2.92Š|
| 65 | S | 49.4 | Very low | 55.8 | Low | 82 Ų | 82 | 141.6 Ų | 141.6 | 57% | 0.573 | 76% | 0.761 | S | S | * | * | | | trans | -43.2 | 135.1 | 170.9 | -73.1 | 0 | 0 | 0 | 0 | 109.9 | N63 K67 | N63-S65 VanDerWaalsContact C-N 3.32Å; N63-S65 PolarHBondContact O-N 3.38Å; S65-K67 PolarHBondContact O-N 3.2Å |
| 66 | P | 53.4 | Low | 57.6 | Low | 139 Ų | 139 | 139.8 Ų | 139.8 | 90% | 0.903 | 75% | 0.75 | S | S | * | * | | | trans | -72.4 | 72 | 172.5 | 29.5 | -31.9 | 0 | 0 | 0 | 108.9 | Q68 | P66-Q68 PolarHBondContact O-N 2.95Š|
| 67 | K | 58 | Low | 59.4 | Low | 174 Ų | 174 | 138 Ų | 138 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | | | trans | -75.7 | 114.2 | 174.3 | -81.6 | -176.3 | 178.1 | 179 | 0 | 108.2 | S65 | S65-K67 PolarHBondContact O-N 3.2Š|
| 68 | Q | 61.2 | Low | 60.7 | Low | 168 Ų | 168 | 139 Ų | 139 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | | | trans | 74.4 | 96.6 | 160.5 | -66.5 | 169.9 | -94.7 | 0 | 0 | 116.3 | P66 K70 | P66-Q68 PolarHBondContact O-N 2.95Å; Q68-K70 PolarHBondContact O-N 2.9Å |
| 69 | R | 57.6 | Low | 62 | Low | 238 Ų | 238 | 137.5 Ų | 137.5 | 90% | 0.898 | 74% | 0.741 | S | S | * | * | | | trans | -8.5 | 94.2 | 130.4 | -175.6 | -173.4 | -78.3 | 153.2 | -6 | 112.3 | | |
| 70 | K | 61.7 | Low | 63.3 | Low | 184 Ų | 184 | 143.6 Ų | 143.6 | 80% | 0.8 | 75% | 0.75 | S | S | * | * | | | trans | -106.6 | 122.3 | 135 | -68 | -157 | 172.3 | -171.7 | 0 | 105 | Q68 S72 | Q68-K70 PolarHBondContact O-N 2.9Å; K70-S72 PolarHBondContact O-N 3.49Å |
| 71 | Q | 64.8 | Low | 64.3 | Low | 186 Ų | 186 | 139.1 Ų | 139.1 | 87% | 0.869 | 75% | 0.745 | S | S | * | * | | | trans | -59.9 | 84.2 | 155.6 | -75 | 174.1 | -39.2 | 0 | 0 | 105.2 | V73 | Q71-V73 VanDerWaalsContact C-N 3.35Å; Q71-V73 PolarHBondContact O-N 3.15Å |
| 72 | S | 63 | Low | 64.7 | Low | 104 Ų | 104 | 139.5 Ų | 139.5 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | | | trans | -70.7 | 101.1 | 173.5 | 55.9 | 0 | 0 | 0 | 0 | 105.1 | K70 Y74 | K70-S72 PolarHBondContact O-N 3.49Å; S72-Y74 PolarHBondContact O-N 2.9Å |
| 73 | V | 77.2 | Confident | 65.5 | Low | 126 Ų | 126 | 140.6 Ų | 140.6 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | | | trans | -54.1 | 113.7 | 170.1 | 176.9 | 0 | 0 | 0 | 0 | 106.6 | Q71 T75 | Q71-V73 VanDerWaalsContact C-N 3.35Å; Q71-V73 PolarHBondContact O-N 3.15Å; V73-T75 PolarHBondContact O-N 2.88Å; V73-T75 PolarHBondContact O-OG1 2.91Å |
| 74 | Y | 79.8 | Confident | 66 | Low | 183 Ų | 183 | 142.1 Ų | 142.1 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | | | trans | -57.1 | 113.7 | 176.9 | 172.2 | -105.6 | 0 | 0 | 0 | 108.3 | S72 P76 | S72-Y74 PolarHBondContact O-N 2.9Å; Y74-P76 HydrophobicContact CD1-CB 4.47Å; Y74-P76 HydrophobicContact CE1-CB 3.68Å; Y74-P76 HydrophobicContact CE1-CG 4.24Å; Y74-P76 WeakPolarHBondContact O-CD 3.39Å |
| 75 | T | 81.5 | Confident | 66.2 | Low | 120 Ų | 120 | 144.8 Ų | 144.8 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | | | trans | -101.2 | 103.6 | 173.7 | -54.9 | 0 | 0 | 0 | 0 | 106.6 | V73 | V73-T75 PolarHBondContact O-N 2.88Å; V73-T75 PolarHBondContact O-OG1 2.91Å |
| 76 | P | 82.6 | Confident | 66.6 | Low | 76 Ų | 76 | 150.7 Ų | 150.7 | 49% | 0.494 | 76% | 0.762 | S | S | . | * | | | trans | -62.6 | 148.2 | 179.9 | 24 | -31.8 | 0 | 0 | 0 | 110.6 | Y74 I78 | Y74-P76 HydrophobicContact CD1-CB 4.47Å; Y74-P76 HydrophobicContact CE1-CB 3.68Å; Y74-P76 HydrophobicContact CE1-CG 4.24Å; Y74-P76 WeakPolarHBondContact O-CD 3.39Å; P76-I78 PolarHBondContact O-N 3.49Å |
| 77 | P | 76.3 | Confident | 66.7 | Low | 103 Ų | 103 | 147.4 Ų | 147.4 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | | | trans | -62.6 | 137.1 | 177.1 | 26.2 | -33.7 | 0 | 0 | 0 | 111 | I79 | P77-I79 PolarHBondContact O-N 2.84Š|
| 78 | I | 76.8 | Confident | 66.6 | Low | 145 Ų | 145 | 147.9 Ų | 147.9 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | | | trans | -78.2 | 109.4 | 174.3 | -56.6 | 175.7 | 0 | 0 | 0 | 108 | P76 K80 | P76-I78 PolarHBondContact O-N 3.49Å; I78-K80 VanDerWaalsContact C-N 3.28Å; I78-K80 HydrophobicContact CG2-CG 3.85Å; I78-K80 PolarHBondContact O-N 2.89Å |
| 79 | I | 72.4 | Confident | 66.5 | Low | 146 Ų | 146 | 147 Ų | 147 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | | | trans | -73.7 | 81.4 | 176.5 | -30 | 171.7 | 0 | 0 | 0 | 108.8 | P77 G81 | P77-I79 PolarHBondContact O-N 2.84Å; I79-G81 PolarHBondContact O-N 3.26Å |
| 80 | K | 70.1 | Confident | 66.3 | Low | 193 Ų | 193 | 144.7 Ų | 144.7 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | 73.9 | 170 | -51.3 | -170.3 | -135.2 | -174.7 | 0 | 108.8 | I78 | I78-K80 VanDerWaalsContact C-N 3.28Å; I78-K80 HydrophobicContact CG2-CG 3.85Å; I78-K80 PolarHBondContact O-N 2.89Å |
| 81 | G | 64.4 | Low | 66.1 | Low | 59 Ų | 59 | 140.5 Ų | 140.5 | 61% | 0.608 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -169.6 | 8.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | I79 | I79-G81 PolarHBondContact O-N 3.26Š|
| 82 | V | 60.3 | Low | 66 | Low | 118 Ų | 118 | 136 Ų | 136 | 72% | 0.715 | 75% | 0.747 | S | S | * | * | | | trans | -109 | 73.8 | 173.1 | -166.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 83 | K | 62.5 | Low | 65.5 | Low | 172 Ų | 172 | 139 Ų | 139 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | | | trans | -148.8 | 50.7 | 168.4 | 55.3 | -173.6 | 173.9 | -169.6 | 0 | 112.6 | | |
| 84 | H | 61 | Low | 64.6 | Low | 177 Ų | 177 | 138 Ų | 138 | 82% | 0.819 | 74% | 0.744 | S | S | * | * | | | trans | -149.3 | 57.5 | 154.6 | -61.4 | 99 | 0 | 0 | 0 | 110 | | |
| 85 | L | 56.9 | Low | 63.4 | Low | 147 Ų | 147 | 137.3 Ų | 137.3 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | | | trans | -107 | 67.8 | 148.4 | -80.9 | 82.1 | 0 | 0 | 0 | 106.2 | | |
| 86 | K | 57.2 | Low | 62.3 | Low | 206 Ų | 206 | 140.2 Ų | 140.2 | 90% | 0.896 | 75% | 0.752 | S | S | * | * | | | trans | -98.5 | 109.6 | 166.8 | -179.5 | 175.9 | 177.4 | -178.3 | 0 | 106.2 | | |
| 87 | G | 56.4 | Low | 61.1 | Low | 71 Ų | 71 | 143.6 Ų | 143.6 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | | | trans | 111 | 57.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | N89 | G87-N89 VanDerWaalsContact C-N 3.28Å; G87-N89 PolarHBondContact O-N 2.98Å |
| 88 | Q | 55.7 | Low | 59.6 | Low | 183 Ų | 183 | 145.9 Ų | 145.9 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | | | trans | -81.7 | 83.1 | 147.4 | -71.6 | -175.8 | -87.9 | 0 | 0 | 107.7 | | |
| 89 | N | 57.9 | Low | 57.9 | Low | 149 Ų | 149 | 142.4 Ų | 142.4 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | | | trans | -162 | 59.8 | 157.5 | -151.5 | -100 | 0 | 0 | 0 | 111.3 | G87 | G87-N89 VanDerWaalsContact C-N 3.28Å; G87-N89 PolarHBondContact O-N 2.98Å |
| 90 | E | 53.5 | Low | 56.5 | Low | 190 Ų | 190 | 141 Ų | 141 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -127.2 | 114.8 | 147.3 | -70.6 | -164.4 | 128.3 | 0 | 0 | 105.8 | A92 | E90-A92 PolarHBondContact O-N 2.97Š|
| 91 | S | 56.9 | Low | 55.1 | Low | 97 Ų | 97 | 136.9 Ų | 136.9 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | | | trans | -52.9 | 119.7 | 175.3 | -172.8 | 0 | 0 | 0 | 0 | 109.2 | F93 | S91-F93 PolarHBondContact O-N 2.71Å; S91-F93 PolarHBondContact OG-N 3.01Å; S91-F93 PolarHBondContact OG-O 3.29Å |
| 92 | A | 63.4 | Low | 54.4 | Low | 90 Ų | 90 | 142.8 Ų | 142.8 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -74.6 | 0.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E90 | E90-A92 PolarHBondContact O-N 2.97Š|
| 93 | F | 52.4 | Low | 53.9 | Low | 167 Ų | 167 | 148.4 Ų | 148.4 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -138.4 | 118.1 | 175.1 | -78.1 | -88.7 | 0 | 0 | 0 | 108.6 | S91 E95 | S91-F93 PolarHBondContact O-N 2.71Å; S91-F93 PolarHBondContact OG-N 3.01Å; S91-F93 PolarHBondContact OG-O 3.29Å; F93-E95 PolarHBondContact O-N 2.92Å; F93-E95 VanDerWaalsContact O-N 3.17Å |
| 94 | P | 58.4 | Low | 53.2 | Low | 107 Ų | 107 | 148 Ų | 148 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | | | trans | -59.4 | 123.6 | 167.8 | 25.1 | -29.9 | 0 | 0 | 0 | 108.2 | E96 | P94-E96 PolarHBondContact O-N 2.74Š|
| 95 | E | 53.8 | Low | 52.7 | Low | 167 Ų | 167 | 146.5 Ų | 146.5 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | | | trans | -72.3 | 106.6 | 163.8 | -177.5 | 173.3 | -164.6 | 0 | 0 | 106.1 | F93 E97 | F93-E95 PolarHBondContact O-N 2.92Å; F93-E95 VanDerWaalsContact O-N 3.17Å; E95-E97 VanDerWaalsContact C-N 3.32Å; E95-E97 HydrophobicContact CG-CB 4.44Å; E95-E97 PolarHBondContact O-N 3.02Å |
| 96 | E | 59.7 | Low | 52.2 | Low | 181 Ų | 181 | 146.1 Ų | 146.1 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | | | trans | -80.5 | 89.1 | 164.2 | 26.7 | -140.5 | 128.6 | 0 | 0 | 107.8 | P94 | P94-E96 PolarHBondContact O-N 2.74Š|
| 97 | E | 56.4 | Low | 51.5 | Low | 148 Ų | 148 | 144.5 Ų | 144.5 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | | | trans | -78.5 | 122.9 | 171.9 | -177.8 | 176.7 | -155.9 | 0 | 0 | 110.3 | E95 | E95-E97 VanDerWaalsContact C-N 3.32Å; E95-E97 HydrophobicContact CG-CB 4.44Å; E95-E97 PolarHBondContact O-N 3.02Å |
| 98 | E | 46 | Very low | 51.1 | Low | 151 Ų | 151 | 148.3 Ų | 148.3 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | | | trans | 67.4 | 119 | 141.9 | -157.6 | 172.6 | -166.1 | 0 | 0 | 120.6 | | |
| 99 | G | 40.9 | Very low | 50.8 | Low | 72 Ų | 72 | 152.1 Ų | 152.1 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | trans | -150.3 | 85.8 | 155.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | S101 | G99-S101 PolarHBondContact O-N 3.39Š|
| 100 | T | 43.3 | Very low | 50.5 | Low | 117 Ų | 117 | 152.3 Ų | 152.3 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | | | trans | -51 | 117.3 | 161.7 | 40.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 101 | S | 39.4 | Very low | 50.3 | Low | 105 Ų | 105 | 150.3 Ų | 150.3 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | trans | -143.1 | 87.3 | 160.7 | -141.7 | 0 | 0 | 0 | 0 | 108 | G99 R103 | G99-S101 PolarHBondContact O-N 3.39Å; S101-R103 PolarHBondContact O-N 3.03Å; S101-R103 VanDerWaalsContact O-N 3.12Å |
| 102 | E | 50 | Low | 49.9 | Very low | 183 Ų | 183 | 153.2 Ų | 153.2 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | | | trans | -34.2 | 110.2 | 145.4 | 57.2 | -152.4 | 147 | 0 | 0 | 110.6 | | |
| 103 | R | 50.1 | Low | 49.1 | Very low | 237 Ų | 237 | 156.9 Ų | 156.9 | 89% | 0.894 | 78% | 0.783 | S | S | * | * | | | trans | -141.5 | 106.5 | 157.6 | -159.3 | 175.4 | -179.2 | 103.8 | 1 | 110.1 | S101 | S101-R103 PolarHBondContact O-N 3.03Å; S101-R103 VanDerWaalsContact O-N 3.12Å |
| 104 | E | 46.7 | Very low | 48.9 | Very low | 164 Ų | 164 | 156.3 Ų | 156.3 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | | | trans | -42.9 | 161 | 164.7 | -54.1 | 168 | 138.9 | 0 | 0 | 113.6 | | |
| 105 | E | 51.2 | Low | 48.3 | Very low | 145 Ų | 145 | 159.6 Ų | 159.6 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | | | trans | 84.2 | 109.7 | 149.5 | -76 | -167.7 | 33.4 | 0 | 0 | 121.6 | | |
| 106 | Q | 47.6 | Very low | 47.9 | Very low | 139 Ų | 139 | 159.1 Ų | 159.1 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | | | | 86.8 | 141 | 115.6 | -72.8 | 168.7 | 31.4 | 0 | 0 | 121.3 | | |
| 107 | Q | 41.5 | Very low | 47 | Very low | 171 Ų | 171 | 157.4 Ų | 157.4 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | | | trans | 77.4 | 130.7 | 163.8 | -68.8 | 169.5 | 21.5 | 0 | 0 | 115.2 | | |
| 108 | D | 47.4 | Very low | 46.2 | Very low | 151 Ų | 151 | 158.2 Ų | 158.2 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | | | cis | -162.2 | 147.8 | 15.3 | -148.3 | 22.3 | 0 | 0 | 0 | 107.1 | | |
| 109 | H | 50.5 | Low | 46.2 | Very low | 263 Ų | 263 | 158.8 Ų | 158.8 | 100% | 1.218 | 81% | 0.806 | S | S | * | * | | | trans | -100.4 | 0 | 170.4 | -92.9 | -60 | 0 | 0 | 0 | 110.2 | | |