| 1 | M | 46.2 | Very low | 56.3 | Low | 254 Ų | 254 | 149.6 Ų | 149.6 | 100% | 1.251 | 79% | 0.788 | S | S | * | * | | | | 0 | 97.6 | 0 | -134.9 | 88.9 | 115.1 | 0 | 0 | 106.6 | | |
| 2 | G | 55.8 | Low | 56.1 | Low | 77 Ų | 77 | 143.8 Ų | 143.8 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | | | trans | -140.5 | 96.7 | -175 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 3 | D | 52.4 | Low | 56.7 | Low | 121 Ų | 121 | 141.9 Ų | 141.9 | 65% | 0.647 | 76% | 0.764 | S | S | * | * | | | trans | -160.4 | 66.7 | 166.6 | -162.4 | -112.4 | 0 | 0 | 0 | 107.1 | K5 | D3-K5 PolarHBondContact O-N 3.02Å; D3-K5 VanDerWaalsContact C-N 3.26Å; D3-K5 IonicContact OD1-NZ 4Å; D3-K5 WeakPolarHBondContact OD1-CG 3.39Å; D3-K5 WeakPolarHBondContact OD1-CE 2.86Å; D3-K5 VanDerWaalsContact OD1-CG 3.28Å |
| 4 | V | 56.2 | Low | 57.4 | Low | 145 Ų | 145 | 142.2 Ų | 142.2 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | | | trans | -81.1 | 91.4 | 161.6 | -178.7 | 0 | 0 | 0 | 0 | 104.3 | E6 | V4-E6 PolarHBondContact O-N 3.07Å; V4-E6 VanDerWaalsContact C-N 3.29Å |
| 5 | K | 59.2 | Low | 58 | Low | 163 Ų | 163 | 138.7 Ų | 138.7 | 71% | 0.709 | 74% | 0.744 | S | S | * | * | | | trans | -52.6 | 99.7 | 168.2 | -65.3 | -100.5 | 169.8 | -178.9 | 0 | 106.5 | D3 S7 | D3-K5 PolarHBondContact O-N 3.02Å; D3-K5 VanDerWaalsContact C-N 3.26Å; D3-K5 IonicContact OD1-NZ 4Å; D3-K5 WeakPolarHBondContact OD1-CG 3.39Å; D3-K5 WeakPolarHBondContact OD1-CE 2.86Å; D3-K5 VanDerWaalsContact OD1-CG 3.28Å; K5-S7 VanDerWaalsContact C-N 3.35Å; K5-S7 PolarHBondContact O-N 3.02Å |
| 6 | E | 56 | Low | 58.7 | Low | 185 Ų | 185 | 138.2 Ų | 138.2 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | | | trans | -49.3 | 108.7 | 163.3 | -118.9 | -172.4 | 99.3 | 0 | 0 | 105.3 | V4 K8 | V4-E6 PolarHBondContact O-N 3.07Å; V4-E6 VanDerWaalsContact C-N 3.29Å; E6-K8 PolarHBondContact O-N 3.14Å |
| 7 | S | 56.4 | Low | 59.3 | Low | 90 Ų | 90 | 135.4 Ų | 135.4 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | | | trans | -63.9 | 95.4 | 177.4 | 55.7 | 0 | 0 | 0 | 0 | 105.7 | K5 M9 | K5-S7 VanDerWaalsContact C-N 3.35Å; K5-S7 PolarHBondContact O-N 3.02Å; S7-M9 WeakPolarHBondContact O-CG 3.28Å; S7-M9 PolarHBondContact O-N 3.09Å |
| 8 | K | 59 | Low | 59.8 | Low | 176 Ų | 176 | 136.8 Ų | 136.8 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | | | trans | -51 | 96.2 | 169.7 | -179.6 | -178.9 | 172.1 | -172.7 | 0 | 105.9 | E6 Q10 | E6-K8 PolarHBondContact O-N 3.14Å; K8-Q10 PolarHBondContact O-N 3.25Å |
| 9 | M | 58.6 | Low | 60.4 | Low | 152 Ų | 152 | 137.3 Ų | 137.3 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | | | trans | -68.3 | 86.6 | 176 | -63 | -169.7 | -172.4 | 0 | 0 | 105 | S7 I11 | S7-M9 WeakPolarHBondContact O-CG 3.28Å; S7-M9 PolarHBondContact O-N 3.09Å; M9-I11 HydrophobicContact CB-CG1 4.45Å; M9-I11 PolarHBondContact O-N 3.18Å; M9-I11 HydrophobicContact CB-CD1 4.41Å |
| 10 | Q | 56.4 | Low | 60.9 | Low | 145 Ų | 145 | 135.6 Ų | 135.6 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | | | trans | -71.5 | 85.6 | 178.9 | -177.7 | 172.7 | -42 | 0 | 0 | 107.3 | K8 | K8-Q10 PolarHBondContact O-N 3.25Š|
| 11 | I | 62.8 | Low | 61.4 | Low | 138 Ų | 138 | 134.6 Ų | 134.6 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | | | trans | -100 | 95.3 | 171.3 | -55.8 | 164.8 | 0 | 0 | 0 | 106.1 | M9 | M9-I11 HydrophobicContact CB-CG1 4.45Å; M9-I11 PolarHBondContact O-N 3.18Å; M9-I11 HydrophobicContact CB-CD1 4.41Å |
| 12 | T | 54 | Low | 62.9 | Low | 80 Ų | 80 | 128.6 Ų | 128.6 | 49% | 0.491 | 72% | 0.718 | S | S | . | * | | | trans | -176.8 | 132.5 | 130.8 | 39.8 | 0 | 0 | 0 | 0 | 109.9 | E14 | T12-E14 PolarHBondContact O-N 3.48Š|
| 13 | P | 64.6 | Low | 63.6 | Low | 119 Ų | 119 | 129.7 Ų | 129.7 | 77% | 0.773 | 71% | 0.706 | S | S | * | * | | | trans | -70.3 | 122.8 | 154.1 | 29.1 | -29.1 | 0 | 0 | 0 | 108.8 | T15 | P13-T15 PolarHBondContact O-N 3.37Š|
| 14 | E | 66.2 | Low | 64.8 | Low | 146 Ų | 146 | 129 Ų | 129 | 68% | 0.682 | 71% | 0.708 | S | S | * | * | | | trans | -73.3 | 115.9 | 174.9 | 23.5 | -72.8 | 138.4 | 0 | 0 | 110.3 | T12 | T12-E14 PolarHBondContact O-N 3.48Š|
| 15 | T | 66.4 | Low | 66 | Low | 89 Ų | 89 | 125.4 Ų | 125.4 | 55% | 0.546 | 68% | 0.681 | S | S | . | * | | | trans | -78.5 | 125.2 | 169.3 | -49.1 | 0 | 0 | 0 | 0 | 108.9 | P13 G17 R18 | P13-T15 PolarHBondContact O-N 3.37Å; T15-G17 PolarHBondContact O-N 2.84Å; T15-R18 WeakPolarHBondContact O-CB 3.41Å; T15-R18 PolarHBondContact O-N 2.89Å |
| 16 | P | 68.8 | Low | 66.8 | Low | 131 Ų | 131 | 125.6 Ų | 125.6 | 85% | 0.851 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.4 | 124.2 | 175.7 | -26.5 | 34.9 | 0 | 0 | 0 | 111.1 | | |
| 17 | G | 68.4 | Low | 68 | Low | 90 Ų | 90 | 119.5 Ų | 119.5 | 93% | 0.928 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 95.1 | -2.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116 | T15 | T15-G17 PolarHBondContact O-N 2.84Š|
| 18 | R | 69.1 | Low | 68.7 | Low | 162 Ų | 162 | 120.8 Ų | 120.8 | 61% | 0.611 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 128.2 | 175.4 | -164.7 | 178.9 | 179.9 | -158.2 | -0.9 | 110.9 | T15 | T15-R18 WeakPolarHBondContact O-CB 3.41Å; T15-R18 PolarHBondContact O-N 2.89Å |
| 19 | I | 71.3 | Confident | 69.8 | Low | 145 Ų | 145 | 116.2 Ų | 116.2 | 74% | 0.744 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 133.2 | 171.2 | -54.2 | 173.8 | 0 | 0 | 0 | 108 | V21 | I19-V21 PolarHBondContact O-N 2.96Š|
| 20 | P | 69.3 | Low | 70.8 | Confident | 104 Ų | 104 | 111.8 Ų | 111.8 | 68% | 0.675 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 126 | 175.5 | -24.4 | 33.1 | 0 | 0 | 0 | 110.3 | L22 | P20-L22 PolarHBondContact O-N 3.18Å; P20-L22 VanDerWaalsContact O-N 3.1Å |
| 21 | V | 73.4 | Confident | 71.7 | Confident | 114 Ų | 114 | 110.8 Ų | 110.8 | 69% | 0.691 | 63% | 0.629 | S | S | * | * | | | trans | -76.2 | 99.9 | 171.1 | 178.3 | 0 | 0 | 0 | 0 | 106.4 | I19 | I19-V21 PolarHBondContact O-N 2.96Š|
| 22 | L | 75.8 | Confident | 72.3 | Confident | 129 Ų | 129 | 108.7 Ų | 108.7 | 68% | 0.675 | 63% | 0.626 | S | S | * | * | | | trans | -73.3 | 145.3 | 170.9 | -62.6 | 179 | 0 | 0 | 0 | 108.9 | P20 P24 | P20-L22 PolarHBondContact O-N 3.18Å; P20-L22 VanDerWaalsContact O-N 3.1Å; L22-P24 WeakPolarHBondContact O-CD 3.47Å |
| 23 | N | 71.7 | Confident | 73.2 | Confident | 100 Ų | 100 | 111 Ų | 111 | 54% | 0.535 | 64% | 0.635 | S | S | . | * | | | trans | -60.7 | 124.7 | 173 | -173.2 | -11.6 | 0 | 0 | 0 | 107.9 | F25 | N23-F25 PolarHBondContact ND2-O 2.73Å; N23-F25 PolarHBondContact O-N 2.87Å; N23-F25 VanDerWaalsContact O-N 3.13Å; N23-F25 PolarHBondContact OD1-N 2.76Å; N23-F25 PolarHBondContact OD1-O 2.93Å |
| 24 | P | 77.7 | Confident | 73.6 | Confident | 106 Ų | 106 | 109.9 Ų | 109.9 | 69% | 0.688 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -64.7 | -12.3 | 178.1 | 25 | -34.3 | 0 | 0 | 0 | 113.5 | L22 | L22-P24 WeakPolarHBondContact O-CD 3.47Š|
| 25 | F | 80 | Confident | 73.9 | Confident | 69 Ų | 69 | 110.7 Ų | 110.7 | 30% | 0.303 | 63% | 0.626 | S | S | . | * | | | trans | -116 | 117.5 | 173.3 | -52.4 | -73.2 | 0 | 0 | 0 | 108.8 | N23 D30 Y31 | N23-F25 PolarHBondContact ND2-O 2.73Å; N23-F25 PolarHBondContact O-N 2.87Å; N23-F25 VanDerWaalsContact O-N 3.13Å; N23-F25 PolarHBondContact OD1-N 2.76Å; N23-F25 PolarHBondContact OD1-O 2.93Å; F25-D30 HydrophobicContact CG-CB 4.5Å; F25-D30 HydrophobicContact CD1-CB 3.71Å; F25-D30 HydrophobicContact CB-CB 4.3Å; F25-Y31 HydrophobicContact CB-CE2 4.23Å; F25-Y31 HydrophobicContact CD2-CE1 4.18Å; F25-Y31 HydrophobicContact CG-CE1 4.19Å |
| 26 | E | 78 | Confident | 74.2 | Confident | 168 Ų | 168 | 114.6 Ų | 114.6 | 79% | 0.785 | 64% | 0.638 | S | S | * | * | | | trans | -107.3 | -14.7 | -176.5 | -64 | -174.5 | 84.9 | 0 | 0 | 111.3 | D30 | E26-D30 PolarHBondContact N-OD2 3.1Š|
| 27 | S | 80.3 | Confident | 74.3 | Confident | 57 Ų | 57 | 115.7 Ų | 115.7 | 40% | 0.399 | 63% | 0.632 | S | S | . | * | S | Bend | trans | -137 | 147.6 | 179.8 | -70.2 | 0 | 0 | 0 | 0 | 112.5 | S29 D30 | S27-S29 PolarHBondContact O-N 2.72Å; S27-S29 VanDerWaalsContact O-N 3.07Å; S27-D30 PolarHBondContact O-N 2.76Å; S27-D30 WeakPolarHBondContact O-CB 3.17Å; S27-D30 PolarHBondContact N-OD2 3.29Å |
| 28 | P | 71.4 | Confident | 74.3 | Confident | 116 Ų | 116 | 117.6 Ų | 117.6 | 75% | 0.753 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -55.2 | -26.8 | 171.8 | -25.8 | 34.6 | 0 | 0 | 0 | 113.6 | D30 | P28-D30 VanDerWaalsContact C-N 3.3Å; P28-D30 PolarHBondContact O-N 2.84Å |
| 29 | S | 80.8 | Confident | 74.6 | Confident | 80 Ų | 80 | 116 Ų | 116 | 56% | 0.559 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -68.8 | -24.1 | 176.3 | -54.2 | 0 | 0 | 0 | 0 | 113.7 | S27 Y31 S32 | S27-S29 PolarHBondContact O-N 2.72Å; S27-S29 VanDerWaalsContact O-N 3.07Å; S29-Y31 PolarHBondContact O-N 2.75Å; S29-S32 WeakPolarHBondContact O-CB 3.38Å; S29-S32 PolarHBondContact O-N 3.39Å; S29-S32 PolarHBondContact O-OG 3.07Å; S29-S32 VanDerWaalsContact O-OG 3.1Å |
| 30 | D | 81.6 | Confident | 74.9 | Confident | 59 Ų | 59 | 113.3 Ų | 113.3 | 32% | 0.316 | 63% | 0.628 | S | S | . | * | G | 310 helix | trans | -64.4 | -28.2 | -177.5 | -59.4 | -27.6 | 0 | 0 | 0 | 111.5 | F25 E26 S27 P28 S32 | F25-D30 HydrophobicContact CG-CB 4.5Å; F25-D30 HydrophobicContact CD1-CB 3.71Å; F25-D30 HydrophobicContact CB-CB 4.3Å; E26-D30 PolarHBondContact N-OD2 3.1Å; S27-D30 PolarHBondContact O-N 2.76Å; S27-D30 WeakPolarHBondContact O-CB 3.17Å; S27-D30 PolarHBondContact N-OD2 3.29Å; P28-D30 VanDerWaalsContact C-N 3.3Å; P28-D30 PolarHBondContact O-N 2.84Å; D30-S32 PolarHBondContact O-N 2.91Å |
| 31 | Y | 73.9 | Confident | 75.2 | Confident | 125 Ų | 125 | 113.7 Ų | 113.7 | 49% | 0.49 | 63% | 0.633 | S | S | . | * | G | 310 helix | trans | -68.4 | -20.2 | 172.9 | -64.2 | -77 | 0 | 0 | 0 | 113.6 | F25 S29 N33 L34 | F25-Y31 HydrophobicContact CB-CE2 4.23Å; F25-Y31 HydrophobicContact CD2-CE1 4.18Å; F25-Y31 HydrophobicContact CG-CE1 4.19Å; S29-Y31 PolarHBondContact O-N 2.75Å; Y31-N33 PolarHBondContact O-N 3.23Å; Y31-L34 HydrophobicContact CD1-CD2 4.21Å; Y31-L34 PolarHBondContact O-N 3.23Å; Y31-L34 WeakPolarHBondContact O-CB 3.35Å |
| 32 | S | 75.9 | Confident | 75.4 | Confident | 93 Ų | 93 | 113.7 Ų | 113.7 | 65% | 0.65 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -67.1 | -23.6 | -177.4 | -54.7 | 0 | 0 | 0 | 0 | 112.4 | S29 D30 | S29-S32 WeakPolarHBondContact O-CB 3.38Å; S29-S32 PolarHBondContact O-N 3.39Å; S29-S32 PolarHBondContact O-OG 3.07Å; S29-S32 VanDerWaalsContact O-OG 3.1Å; D30-S32 PolarHBondContact O-N 2.91Å |
| 33 | N | 73.2 | Confident | 75.3 | Confident | 128 Ų | 128 | 112.4 Ų | 112.4 | 68% | 0.684 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -96.5 | -6.7 | 176.1 | -58.1 | -64 | 0 | 0 | 0 | 112.5 | Y31 H35 | Y31-N33 PolarHBondContact O-N 3.23Å; N33-H35 PolarHBondContact O-N 3.37Å |
| 34 | L | 72.9 | Confident | 75.3 | Confident | 96 Ų | 96 | 113.7 Ų | 113.7 | 50% | 0.503 | 65% | 0.648 | S | S | . | * | | | trans | -74.5 | 78.7 | 172.1 | -174 | 64.1 | 0 | 0 | 0 | 107.3 | Y31 E36 | Y31-L34 HydrophobicContact CD1-CD2 4.21Å; Y31-L34 PolarHBondContact O-N 3.23Å; Y31-L34 WeakPolarHBondContact O-CB 3.35Å; L34-E36 PolarHBondContact O-N 2.85Å |
| 35 | H | 72 | Confident | 75.1 | Confident | 163 Ų | 163 | 117.6 Ų | 117.6 | 76% | 0.755 | 66% | 0.655 | S | S | * | * | | | trans | -58.1 | 108.6 | 164.5 | -67.7 | -75.5 | 0 | 0 | 0 | 106.4 | N33 Q37 | N33-H35 PolarHBondContact O-N 3.37Å; H35-Q37 PolarHBondContact O-N 3.05Å |
| 36 | E | 72.6 | Confident | 74.7 | Confident | 171 Ų | 171 | 123.3 Ų | 123.3 | 80% | 0.799 | 68% | 0.68 | S | S | * | * | | | trans | -62.1 | 92.9 | 167.8 | -68.4 | -170.5 | 96.2 | 0 | 0 | 106.4 | L34 T38 | L34-E36 PolarHBondContact O-N 2.85Å; E36-T38 PolarHBondContact O-N 2.81Å; E36-T38 PolarHBondContact O-OG1 2.95Å |
| 37 | Q | 70.3 | Confident | 74.2 | Confident | 154 Ų | 154 | 121.3 Ų | 121.3 | 72% | 0.72 | 68% | 0.684 | S | S | * | * | | | trans | -63.9 | 93 | 170.7 | -169.9 | 180 | -97.1 | 0 | 0 | 105.2 | H35 L39 | H35-Q37 PolarHBondContact O-N 3.05Å; Q37-L39 PolarHBondContact O-N 3.46Å; Q37-L39 HydrophobicContact CG-CD2 3.84Å; Q37-L39 HydrophobicContact CG-CG 3.98Å |
| 38 | T | 70.4 | Confident | 73.7 | Confident | 131 Ų | 131 | 124.3 Ų | 124.3 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | | | trans | -73 | 79.1 | 178.5 | -57.3 | 0 | 0 | 0 | 0 | 106.1 | E36 A40 | E36-T38 PolarHBondContact O-N 2.81Å; E36-T38 PolarHBondContact O-OG1 2.95Å; T38-A40 PolarHBondContact O-N 2.74Å |
| 39 | L | 73.6 | Confident | 73.7 | Confident | 127 Ų | 127 | 128.3 Ų | 128.3 | 67% | 0.665 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -70 | 124 | 169 | -67.6 | -176.6 | 0 | 0 | 0 | 106.7 | Q37 S41 | Q37-L39 PolarHBondContact O-N 3.46Å; Q37-L39 HydrophobicContact CG-CD2 3.84Å; Q37-L39 HydrophobicContact CG-CG 3.98Å; L39-S41 PolarHBondContact O-N 3.29Å |
| 40 | A | 77.3 | Confident | 73.4 | Confident | 90 Ų | 90 | 131.4 Ų | 131.4 | 74% | 0.744 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 136.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | T38 P42 | T38-A40 PolarHBondContact O-N 2.74Å; A40-P42 WeakPolarHBondContact O-CD 3.43Å |
| 41 | S | 77.3 | Confident | 72.9 | Confident | 111 Ų | 111 | 134 Ų | 134 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 125.9 | 171 | -56.7 | 0 | 0 | 0 | 0 | 108.2 | L39 S43 | L39-S41 PolarHBondContact O-N 3.29Å; S41-S43 PolarHBondContact O-N 3.46Å |
| 42 | P | 75.8 | Confident | 72.7 | Confident | 115 Ų | 115 | 132 Ų | 132 | 75% | 0.747 | 75% | 0.745 | S | S | * | * | | | trans | -62.4 | 107 | 175.4 | 23.4 | -30.4 | 0 | 0 | 0 | 108 | A40 V44 | A40-P42 WeakPolarHBondContact O-CD 3.43Å; P42-V44 VanDerWaalsContact C-N 3.34Å; P42-V44 WeakPolarHBondContact O-CG2 3.49Å; P42-V44 PolarHBondContact O-N 3.22Å |
| 43 | S | 75.5 | Confident | 72.3 | Confident | 101 Ų | 101 | 135.9 Ų | 135.9 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | | | trans | -74.1 | 91.9 | 174.3 | -171.4 | 0 | 0 | 0 | 0 | 108.3 | S41 F45 | S41-S43 PolarHBondContact O-N 3.46Å; S43-F45 PolarHBondContact OG-O 2.8Å; S43-F45 PolarHBondContact O-N 3.41Å |
| 44 | V | 70.9 | Confident | 71.5 | Confident | 127 Ų | 127 | 139.2 Ų | 139.2 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | trans | -74.4 | -18 | 176.9 | -145.7 | 0 | 0 | 0 | 0 | 111.6 | P42 | P42-V44 VanDerWaalsContact C-N 3.34Å; P42-V44 WeakPolarHBondContact O-CG2 3.49Å; P42-V44 PolarHBondContact O-N 3.22Å |
| 45 | F | 74.5 | Confident | 71.4 | Confident | 189 Ų | 189 | 141.4 Ų | 141.4 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | | | trans | -93.9 | 106.6 | 177.7 | -72.4 | -89.1 | 0 | 0 | 0 | 110 | S43 | S43-F45 PolarHBondContact OG-O 2.8Å; S43-F45 PolarHBondContact O-N 3.41Å |
| 46 | K | 70.8 | Confident | 71.4 | Confident | 189 Ų | 189 | 140.2 Ų | 140.2 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | trans | -85.4 | 120.3 | 162.8 | -59.4 | -161 | -176.8 | -166.3 | 0 | 107.2 | T48 | K46-T48 PolarHBondContact O-N 3.06Å; K46-T48 VanDerWaalsContact O-N 3.09Å |
| 47 | S | 68.1 | Low | 71.3 | Confident | 125 Ų | 125 | 138.5 Ų | 138.5 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | trans | -67.3 | 108.6 | 174.1 | -168.1 | 0 | 0 | 0 | 0 | 108.7 | K49 | S47-K49 PolarHBondContact O-N 3.13Š|
| 48 | T | 69.6 | Low | 71.4 | Confident | 121 Ų | 121 | 137.6 Ų | 137.6 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | | | trans | -71.5 | 107.7 | 173.5 | -23.3 | 0 | 0 | 0 | 0 | 107.6 | K46 L50 | K46-T48 PolarHBondContact O-N 3.06Å; K46-T48 VanDerWaalsContact O-N 3.09Å; T48-L50 PolarHBondContact O-N 3.1Å |
| 49 | K | 70 | Confident | 71.4 | Confident | 199 Ų | 199 | 138 Ų | 138 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | | | trans | -67.2 | 103.7 | 167.7 | -171.9 | 175.3 | -178.8 | 178.2 | 0 | 107 | S47 | S47-K49 PolarHBondContact O-N 3.13Š|
| 50 | L | 75.3 | Confident | 71.3 | Confident | 145 Ų | 145 | 138.7 Ų | 138.7 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | | | trans | -57.3 | 133.1 | 170.5 | -66.9 | 174.5 | 0 | 0 | 0 | 107.8 | T48 A52 | T48-L50 PolarHBondContact O-N 3.1Å; L50-A52 PolarHBondContact O-N 3.21Å; L50-A52 VanDerWaalsContact O-N 3.14Å |
| 51 | P | 70.7 | Confident | 70.9 | Confident | 113 Ų | 113 | 142.2 Ų | 142.2 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | | | trans | -59.8 | 122.8 | 171.6 | 24.3 | -30.2 | 0 | 0 | 0 | 107.5 | L53 | P51-L53 PolarHBondContact O-N 3.18Š|
| 52 | A | 69.5 | Low | 70.4 | Confident | 84 Ų | 84 | 144.6 Ų | 144.6 | 69% | 0.694 | 82% | 0.821 | S | S | * | * | | | trans | -61.8 | 109.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | L50 T54 | L50-A52 PolarHBondContact O-N 3.21Å; L50-A52 VanDerWaalsContact O-N 3.14Å; A52-T54 VanDerWaalsContact C-N 3.31Å; A52-T54 PolarHBondContact O-N 3.06Å; A52-T54 VanDerWaalsContact O-N 3.07Å |
| 53 | L | 67.2 | Low | 69.9 | Low | 174 Ų | 174 | 147.1 Ų | 147.1 | 91% | 0.911 | 83% | 0.827 | S | S | * | * | | | trans | -71 | 95.3 | 165 | -78 | 165.2 | 0 | 0 | 0 | 106.6 | P51 | P51-L53 PolarHBondContact O-N 3.18Š|
| 54 | T | 56.7 | Low | 69.4 | Low | 198 Ų | 198 | 151.3 Ų | 151.3 | 100% | 1.215 | 84% | 0.838 | S | S | * | * | | | trans | -137.5 | 0 | 166.7 | 51.3 | 0 | 0 | 0 | 0 | 108.7 | A52 | A52-T54 VanDerWaalsContact C-N 3.31Å; A52-T54 PolarHBondContact O-N 3.06Å; A52-T54 VanDerWaalsContact O-N 3.07Å |