| 1 | M | 56.7 | Low | 68.5 | Low | 215 Ų | 215 | 123.5 Ų | 123.5 | 100% | 1.059 | 66% | 0.66 | S | S | * | * | | | | 0 | -32.9 | 0 | -87 | 176.2 | -103.4 | 0 | 0 | 113.8 | K3 L4 | M1-K3 PolarHBondContact O-N 3.24Å; M1-K3 VanDerWaalsContact C-N 3.31Å; M1-L4 PolarHBondContact O-N 3.48Å |
| 2 | T | 63.8 | Low | 67.8 | Low | 123 Ų | 123 | 121.3 Ų | 121.3 | 76% | 0.755 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -63.3 | -29 | -175.2 | -22 | 0 | 0 | 0 | 0 | 115.2 | L4 A5 L6 | T2-L4 PolarHBondContact O-N 3.47Å; T2-A5 PolarHBondContact O-N 3.16Å; T2-L6 PolarHBondContact O-N 3.25Å |
| 3 | K | 72.6 | Confident | 67 | Low | 184 Ų | 184 | 117 Ų | 117 | 80% | 0.8 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -65.1 | -37.8 | -177.6 | -64 | -175.4 | 179.2 | -177.4 | 0 | 113 | M1 E7 | M1-K3 PolarHBondContact O-N 3.24Å; M1-K3 VanDerWaalsContact C-N 3.31Å; K3-E7 PolarHBondContact O-N 3.27Å |
| 4 | L | 72.1 | Confident | 66.3 | Low | 117 Ų | 117 | 120.2 Ų | 120.2 | 61% | 0.613 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -72.4 | -39.7 | -179.8 | -63.9 | 173 | 0 | 0 | 0 | 111.7 | M1 T2 L6 E7 L8 | M1-L4 PolarHBondContact O-N 3.48Å; T2-L4 PolarHBondContact O-N 3.47Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L4-L6 PolarHBondContact O-N 3.46Å; L4-E7 PolarHBondContact O-N 3Å; L4-L8 WeakPolarHBondContact O-CG 3.3Å; L4-L8 PolarHBondContact O-N 3Å |
| 5 | A | 70.7 | Confident | 65.7 | Low | 62 Ų | 62 | 125.3 Ų | 125.3 | 51% | 0.512 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -64.4 | -37.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T2 A9 | T2-A5 PolarHBondContact O-N 3.16Å; A5-A9 PolarHBondContact O-N 3.46Å; A5-A9 WeakPolarHBondContact O-CB 3.29Å |
| 6 | L | 74.4 | Confident | 65.1 | Low | 104 Ų | 104 | 125.3 Ų | 125.3 | 55% | 0.545 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -68.4 | -35.8 | 176.4 | -177.4 | 62.1 | 0 | 0 | 0 | 112.3 | T2 L4 K10 | T2-L6 PolarHBondContact O-N 3.25Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L4-L6 PolarHBondContact O-N 3.46Å; L6-K10 VanDerWaalsContact O-CG 3.3Å; L6-K10 WeakPolarHBondContact O-CG 3.35Å; L6-K10 PolarHBondContact O-N 3.36Å; L6-K10 VanDerWaalsContact O-N 3.16Å |
| 7 | E | 74.3 | Confident | 64.6 | Low | 125 Ų | 125 | 124.7 Ų | 124.7 | 58% | 0.584 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -68.7 | -42.7 | 177 | -168.3 | 169 | -177.3 | 0 | 0 | 111.5 | K3 L4 A9 K10 T11 | K3-E7 PolarHBondContact O-N 3.27Å; L4-E7 PolarHBondContact O-N 3Å; E7-A9 PolarHBondContact O-N 3.27Å; E7-K10 PolarHBondContact O-N 3.26Å; E7-T11 PolarHBondContact O-N 3.28Å; E7-T11 PolarHBondContact O-OG1 3.49Å |
| 8 | L | 68 | Low | 64.1 | Low | 120 Ų | 120 | 124.6 Ų | 124.6 | 63% | 0.628 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -66.3 | -34.3 | 174.1 | -66.4 | 173.7 | 0 | 0 | 0 | 113 | L4 K10 T11 S12 | L4-L8 WeakPolarHBondContact O-CG 3.3Å; L4-L8 PolarHBondContact O-N 3Å; L8-K10 VanDerWaalsContact C-N 3.34Å; L8-T11 PolarHBondContact O-OG1 3.44Å; L8-T11 PolarHBondContact O-N 2.99Å; L8-S12 VanDerWaalsContact O-CB 3.29Å; L8-S12 WeakPolarHBondContact O-CB 3.41Å; L8-S12 PolarHBondContact O-N 3.44Å |
| 9 | A | 68.1 | Low | 63.7 | Low | 63 Ų | 63 | 124.7 Ų | 124.7 | 52% | 0.521 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -68.1 | -34.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | A5 E7 T11 G13 | A5-A9 PolarHBondContact O-N 3.46Å; A5-A9 WeakPolarHBondContact O-CB 3.29Å; E7-A9 PolarHBondContact O-N 3.27Å; A9-T11 VanDerWaalsContact C-N 3.34Å; A9-G13 PolarHBondContact O-N 3.03Å |
| 10 | K | 69.9 | Low | 63.4 | Low | 149 Ų | 149 | 120.8 Ų | 120.8 | 65% | 0.648 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -69 | -31.6 | 176.7 | -74.8 | 171.7 | -179.5 | -178.7 | 0 | 112.5 | L6 E7 L8 | L6-K10 VanDerWaalsContact O-CG 3.3Å; L6-K10 WeakPolarHBondContact O-CG 3.35Å; L6-K10 PolarHBondContact O-N 3.36Å; L6-K10 VanDerWaalsContact O-N 3.16Å; E7-K10 PolarHBondContact O-N 3.26Å; L8-K10 VanDerWaalsContact C-N 3.34Å |
| 11 | T | 63 | Low | 63 | Low | 97 Ų | 97 | 121.8 Ų | 121.8 | 60% | 0.595 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -84.3 | -32.1 | 177.6 | 56.9 | 0 | 0 | 0 | 0 | 112.6 | E7 L8 A9 G13 | E7-T11 PolarHBondContact O-N 3.28Å; E7-T11 PolarHBondContact O-OG1 3.49Å; L8-T11 PolarHBondContact O-OG1 3.44Å; L8-T11 PolarHBondContact O-N 2.99Å; A9-T11 VanDerWaalsContact C-N 3.34Å; T11-G13 VanDerWaalsContact C-N 3.29Å; T11-G13 PolarHBondContact O-N 3.47Å |
| 12 | S | 59.7 | Low | 63.1 | Low | 96 Ų | 96 | 115.2 Ų | 115.2 | 67% | 0.671 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72 | -15.1 | 178.1 | 178.4 | 0 | 0 | 0 | 0 | 114.7 | L8 | L8-S12 VanDerWaalsContact O-CB 3.29Å; L8-S12 WeakPolarHBondContact O-CB 3.41Å; L8-S12 PolarHBondContact O-N 3.44Å |
| 13 | G | 57.9 | Low | 62.8 | Low | 66 Ų | 66 | 113.4 Ų | 113.4 | 68% | 0.68 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -15.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A9 T11 K15 | A9-G13 PolarHBondContact O-N 3.03Å; T11-G13 VanDerWaalsContact C-N 3.29Å; T11-G13 PolarHBondContact O-N 3.47Å; G13-K15 PolarHBondContact O-N 3.28Å |
| 14 | K | 56.7 | Low | 62.2 | Low | 162 Ų | 162 | 111.1 Ų | 111.1 | 70% | 0.704 | 62% | 0.618 | S | S | * | * | | | trans | -89.9 | 84.8 | 170.2 | -63.7 | -164.2 | -179.1 | -173.6 | 0 | 108.1 | D16 | K14-D16 PolarHBondContact O-N 2.98Š|
| 15 | K | 57.2 | Low | 61.5 | Low | 196 Ų | 196 | 108.4 Ų | 108.4 | 85% | 0.852 | 60% | 0.603 | S | S | * | * | | | trans | -65.2 | 93.9 | 145.5 | -74.8 | -176.4 | -178.9 | 177.7 | 0 | 104.3 | G13 | G13-K15 PolarHBondContact O-N 3.28Š|
| 16 | D | 57.2 | Low | 60.9 | Low | 125 Ų | 125 | 109.4 Ų | 109.4 | 67% | 0.668 | 60% | 0.603 | S | S | * | * | | | trans | -46.8 | 128.5 | 156.4 | -69.6 | -39.6 | 0 | 0 | 0 | 105.2 | K14 L18 | K14-D16 PolarHBondContact O-N 2.98Å; D16-L18 VanDerWaalsContact C-N 3.29Å; D16-L18 PolarHBondContact O-N 2.73Å |
| 17 | P | 55.2 | Low | 60.1 | Low | 116 Ų | 116 | 111 Ų | 111 | 75% | 0.753 | 61% | 0.606 | S | S | * | * | | | trans | -52.7 | 112.9 | 165.2 | -9.4 | 21.8 | 0 | 0 | 0 | 103 | D19 | P17-D19 VanDerWaalsContact C-N 3.27Å; P17-D19 PolarHBondContact O-N 2.81Å |
| 18 | L | 56.7 | Low | 59.2 | Low | 123 Ų | 123 | 110.3 Ų | 110.3 | 64% | 0.644 | 61% | 0.606 | S | S | * | * | | | trans | -48.1 | 105.4 | 175.5 | -179.5 | 68.4 | 0 | 0 | 0 | 104.3 | D16 S20 I25 | D16-L18 VanDerWaalsContact C-N 3.29Å; D16-L18 PolarHBondContact O-N 2.73Å; L18-S20 WeakPolarHBondContact CD2-OG 3.19Å; L18-S20 WeakPolarHBondContact CG-OG 3.38Å; L18-S20 PolarHBondContact O-N 2.69Å; L18-I25 HydrophobicContact CD1-CD1 4.22Å |
| 19 | D | 56.1 | Low | 58.8 | Low | 127 Ų | 127 | 110.3 Ų | 110.3 | 68% | 0.679 | 61% | 0.605 | S | S | * | * | | | trans | -71.6 | 73.4 | 173.2 | -174.9 | 5.1 | 0 | 0 | 0 | 104.4 | P17 N21 | P17-D19 VanDerWaalsContact C-N 3.27Å; P17-D19 PolarHBondContact O-N 2.81Å; D19-N21 PolarHBondContact OD1-ND2 3.05Å; D19-N21 PolarHBondContact O-N 2.96Å |
| 20 | S | 57.8 | Low | 58.3 | Low | 45 Ų | 45 | 110.9 Ų | 110.9 | 32% | 0.315 | 61% | 0.61 | S | S | . | * | | | trans | -82.7 | 38.2 | -171.7 | -130.2 | 0 | 0 | 0 | 0 | 109 | L18 D22 | L18-S20 WeakPolarHBondContact CD2-OG 3.19Å; L18-S20 WeakPolarHBondContact CG-OG 3.38Å; L18-S20 PolarHBondContact O-N 2.69Å; S20-D22 PolarHBondContact O-N 3.37Å |
| 21 | N | 55.6 | Low | 57.8 | Low | 143 Ų | 143 | 111.5 Ų | 111.5 | 77% | 0.765 | 62% | 0.615 | S | S | * | * | | | trans | -75.4 | 9.5 | 158.5 | -84.7 | -58.6 | 0 | 0 | 0 | 111.8 | D19 P23 | D19-N21 PolarHBondContact OD1-ND2 3.05Å; D19-N21 PolarHBondContact O-N 2.96Å; N21-P23 WeakPolarHBondContact O-CD 3.13Å |
| 22 | D | 58.1 | Low | 57.8 | Low | 76 Ų | 76 | 115.9 Ų | 115.9 | 41% | 0.406 | 63% | 0.626 | S | S | . | * | | | trans | -79.8 | 104.7 | 168.9 | -153.9 | -22 | 0 | 0 | 0 | 109.3 | S20 E24 I25 | S20-D22 PolarHBondContact O-N 3.37Å; D22-E24 PolarHBondContact O-N 3.3Å; D22-I25 HydrophobicContact CB-CD1 3.89Å; D22-I25 HydrophobicContact CB-CG1 4.07Å; D22-I25 PolarHBondContact O-N 3.39Å; D22-I25 VanDerWaalsContact O-N 3.09Å |
| 23 | P | 57.8 | Low | 57.8 | Low | 86 Ų | 86 | 116.5 Ų | 116.5 | 56% | 0.558 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.7 | -10.2 | -177.3 | 28.1 | -35.1 | 0 | 0 | 0 | 112.4 | N21 K27 | N21-P23 WeakPolarHBondContact O-CD 3.13Å; P23-K27 WeakPolarHBondContact O-CD 3.44Å; P23-K27 WeakPolarHBondContact O-CE 3.31Å; P23-K27 VanDerWaalsContact O-CG 3.31Å; P23-K27 WeakPolarHBondContact O-CG 3.39Å |
| 24 | E | 59.1 | Low | 58 | Low | 136 Ų | 136 | 122.3 Ų | 122.3 | 64% | 0.636 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -76.2 | -33.7 | 176 | -144.7 | 168.8 | -160.7 | 0 | 0 | 112.5 | D22 | D22-E24 PolarHBondContact O-N 3.3Å |
| 25 | I | 57.8 | Low | 58.4 | Low | 60 Ų | 60 | 118.1 Ų | 118.1 | 31% | 0.308 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -71.3 | -39.5 | 179.5 | -61 | 174.9 | 0 | 0 | 0 | 110.7 | L18 D22 K27 N28 I29 | L18-I25 HydrophobicContact CD1-CD1 4.22Å; D22-I25 HydrophobicContact CB-CD1 3.89Å; D22-I25 HydrophobicContact CB-CG1 4.07Å; D22-I25 PolarHBondContact O-N 3.39Å; D22-I25 VanDerWaalsContact O-N 3.09Å; I25-K27 VanDerWaalsContact C-N 3.3Å; I25-K27 PolarHBondContact O-N 3.41Å; I25-N28 PolarHBondContact O-N 3.32Å; I25-I29 HydrophobicContact CG2-CD1 4.4Å |
| 26 | T | 57.6 | Low | 58.8 | Low | 82 Ų | 82 | 117.7 Ų | 117.7 | 50% | 0.503 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -67.3 | -30.8 | -176.4 | -33.4 | 0 | 0 | 0 | 0 | 112.5 | N28 I29 | T26-N28 VanDerWaalsContact C-N 3.3Å; T26-N28 PolarHBondContact O-N 3.37Å; T26-I29 PolarHBondContact O-N 3.09Å |
| 27 | K | 57.9 | Low | 59.1 | Low | 139 Ų | 139 | 116.9 Ų | 116.9 | 60% | 0.604 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -65.9 | -32.3 | 179.3 | -70.7 | 171 | -170.7 | 179.3 | 0 | 112.6 | P23 I25 | P23-K27 WeakPolarHBondContact O-CD 3.44Å; P23-K27 WeakPolarHBondContact O-CE 3.31Å; P23-K27 VanDerWaalsContact O-CG 3.31Å; P23-K27 WeakPolarHBondContact O-CG 3.39Å; I25-K27 VanDerWaalsContact C-N 3.3Å; I25-K27 PolarHBondContact O-N 3.41Å |
| 28 | N | 56.9 | Low | 59.7 | Low | 109 Ų | 109 | 117.5 Ų | 117.5 | 58% | 0.583 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -82.1 | -15.4 | -177.3 | -69 | -11.7 | 0 | 0 | 0 | 113.5 | I25 T26 | I25-N28 PolarHBondContact O-N 3.32Å; T26-N28 VanDerWaalsContact C-N 3.3Å; T26-N28 PolarHBondContact O-N 3.37Å |
| 29 | I | 58.7 | Low | 60.1 | Low | 121 Ų | 121 | 115.7 Ų | 115.7 | 62% | 0.621 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -83.1 | -36.3 | 178.3 | -60.8 | 168.7 | 0 | 0 | 0 | 110.5 | I25 T26 Q31 K32 | I25-I29 HydrophobicContact CG2-CD1 4.4Å; T26-I29 PolarHBondContact O-N 3.09Å; I29-Q31 VanDerWaalsContact C-N 3.29Å; I29-Q31 PolarHBondContact O-N 2.98Å; I29-K32 PolarHBondContact O-N 3.29Å |
| 30 | A | 58.2 | Low | 60.7 | Low | 75 Ų | 75 | 118 Ų | 118 | 62% | 0.62 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66.7 | -25.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | K32 | A30-K32 PolarHBondContact O-N 3.07Å |
| 31 | Q | 59 | Low | 61.3 | Low | 161 Ų | 161 | 124.4 Ų | 124.4 | 75% | 0.752 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -0.3 | -176.6 | -69.1 | -167.9 | -58.1 | 0 | 0 | 115.1 | I29 | I29-Q31 VanDerWaalsContact C-N 3.29Å; I29-Q31 PolarHBondContact O-N 2.98Å |
| 32 | K | 61.9 | Low | 62.1 | Low | 190 Ų | 190 | 121.5 Ų | 121.5 | 83% | 0.826 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 13.9 | -180 | -72.7 | -170.5 | 177 | 179.1 | 0 | 115.3 | I29 A30 K34 | I29-K32 PolarHBondContact O-N 3.29Å; A30-K32 PolarHBondContact O-N 3.07Å; K32-K34 VanDerWaalsContact C-N 3.27Å; K32-K34 PolarHBondContact O-N 3.18Å |
| 33 | S | 61 | Low | 62.2 | Low | 108 Ų | 108 | 123.4 Ų | 123.4 | 76% | 0.755 | 69% | 0.685 | S | S | * | * | | | trans | -89.9 | 61.4 | 164.8 | 68.6 | 0 | 0 | 0 | 0 | 111.3 | G35 | S33-G35 PolarHBondContact O-N 3.43Š|
| 34 | K | 62.7 | Low | 62.7 | Low | 189 Ų | 189 | 126 Ų | 126 | 82% | 0.822 | 69% | 0.693 | S | S | * | * | | | trans | -71.8 | 107 | 158.6 | -88.6 | -175.5 | 175.5 | 178.7 | 0 | 106.5 | K32 H36 | K32-K34 VanDerWaalsContact C-N 3.27Å; K32-K34 PolarHBondContact O-N 3.18Å; K34-H36 PolarHBondContact O-N 3.14Å |
| 35 | G | 64.9 | Low | 62.7 | Low | 74 Ų | 74 | 125.1 Ų | 125.1 | 76% | 0.763 | 70% | 0.697 | S | S | * | * | | | trans | -43.1 | 125.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S33 S37 | S33-G35 PolarHBondContact O-N 3.43Å; G35-S37 VanDerWaalsContact C-N 3.34Å; G35-S37 PolarHBondContact O-N 2.93Å |
| 36 | H | 64.8 | Low | 63.2 | Low | 186 Ų | 186 | 128.2 Ų | 128.2 | 86% | 0.861 | 72% | 0.715 | S | S | * | * | | | trans | -72.6 | 92.8 | 163.9 | -69.2 | -61.9 | 0 | 0 | 0 | 108.1 | K34 T38 | K34-H36 PolarHBondContact O-N 3.14Å; H36-T38 PolarHBondContact O-N 3.12Å |
| 37 | S | 64 | Low | 63.1 | Low | 109 Ų | 109 | 135.3 Ų | 135.3 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | | | trans | -88.3 | 92.2 | 160 | -173.4 | 0 | 0 | 0 | 0 | 107.6 | G35 S39 | G35-S37 VanDerWaalsContact C-N 3.34Å; G35-S37 PolarHBondContact O-N 2.93Å; S37-S39 PolarHBondContact O-N 3.46Å; S37-S39 VanDerWaalsContact O-N 3.12Å |
| 38 | T | 67.1 | Low | 63.4 | Low | 128 Ų | 128 | 135.1 Ų | 135.1 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | | | trans | -78.9 | 81.6 | 162.9 | 52.7 | 0 | 0 | 0 | 0 | 107.3 | H36 E40 | H36-T38 PolarHBondContact O-N 3.12Å; T38-E40 PolarHBondContact O-N 3.05Å |
| 39 | S | 65.1 | Low | 63.7 | Low | 85 Ų | 85 | 136.5 Ų | 136.5 | 59% | 0.594 | 77% | 0.766 | S | S | * | * | | | trans | -73.6 | 83.5 | 163.4 | -170.7 | 0 | 0 | 0 | 0 | 107.4 | S37 K41 | S37-S39 PolarHBondContact O-N 3.46Å; S37-S39 VanDerWaalsContact O-N 3.12Å; S39-K41 PolarHBondContact O-N 3.33Å; S39-K41 VanDerWaalsContact O-N 3.14Å |
| 40 | E | 69.6 | Low | 64 | Low | 177 Ų | 177 | 137.3 Ų | 137.3 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | | | trans | -66.1 | 106.6 | 163.8 | -169.9 | 175.6 | 172.8 | 0 | 0 | 107 | T38 A42 | T38-E40 PolarHBondContact O-N 3.05Å; E40-A42 PolarHBondContact O-N 3.17Å |
| 41 | K | 70.3 | Confident | 64.3 | Low | 178 Ų | 178 | 141 Ų | 141 | 77% | 0.774 | 78% | 0.783 | S | S | * | * | | | trans | -78.9 | 112.3 | 165.7 | -69.8 | -71.6 | -176.2 | -176.2 | 0 | 106.3 | S39 | S39-K41 PolarHBondContact O-N 3.33Å; S39-K41 VanDerWaalsContact O-N 3.14Å |
| 42 | A | 71.7 | Confident | 64.7 | Low | 82 Ų | 82 | 139.8 Ų | 139.8 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | | | trans | -55.6 | 140.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | E40 L44 | E40-A42 PolarHBondContact O-N 3.17Å; A42-L44 PolarHBondContact O-N 3.24Å |
| 43 | P | 60.7 | Low | 64.9 | Low | 116 Ų | 116 | 136.4 Ų | 136.4 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | trans | -68.4 | 116.2 | 172.4 | 26.6 | -30 | 0 | 0 | 0 | 108.8 | V45 | P43-V45 PolarHBondContact O-N 3.46Å; P43-V45 VanDerWaalsContact O-N 3.07Å |
| 44 | L | 68.2 | Low | 65.1 | Low | 140 Ų | 140 | 138.4 Ų | 138.4 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | | | trans | -70.6 | 99.9 | 170 | -179.3 | 68.9 | 0 | 0 | 0 | 108 | A42 N46 | A42-L44 PolarHBondContact O-N 3.24Å; L44-N46 VanDerWaalsContact CD2-OD1 3.29Å; L44-N46 WeakPolarHBondContact CD2-OD1 3.22Å; L44-N46 WeakPolarHBondContact CG-OD1 3.29Å; L44-N46 PolarHBondContact O-N 3.46Å |
| 45 | V | 58 | Low | 65.3 | Low | 118 Ų | 118 | 134.5 Ų | 134.5 | 72% | 0.715 | 78% | 0.781 | S | S | * | * | | | trans | -75.8 | 105.2 | 166.8 | -177.4 | 0 | 0 | 0 | 0 | 106.9 | P43 | P43-V45 PolarHBondContact O-N 3.46Å; P43-V45 VanDerWaalsContact O-N 3.07Å |
| 46 | N | 68.4 | Low | 65.3 | Low | 126 Ų | 126 | 139.6 Ų | 139.6 | 67% | 0.674 | 78% | 0.782 | S | S | * | * | | | trans | -86.5 | 121.7 | 166.8 | -64.9 | -32.1 | 0 | 0 | 0 | 107.4 | L44 | L44-N46 VanDerWaalsContact CD2-OD1 3.29Å; L44-N46 WeakPolarHBondContact CD2-OD1 3.22Å; L44-N46 WeakPolarHBondContact CG-OD1 3.29Å; L44-N46 PolarHBondContact O-N 3.46Å |
| 47 | N | 56.4 | Low | 65.4 | Low | 230 Ų | 230 | 135.4 Ų | 135.4 | 100% | 1.23 | 78% | 0.775 | S | S | * | * | | | trans | -71.8 | 0 | 169.6 | -80.1 | -27.5 | 0 | 0 | 0 | 111.4 | | |