| 1 | M | 47.5 | Very low | 59.4 | Low | 243 Ų | 243 | 165.6 Ų | 165.6 | 100% | 1.197 | 86% | 0.862 | S | S | * | * | | | | 0 | 93.4 | 0 | -61.4 | 172.7 | -154.7 | 0 | 0 | 106.1 | | |
| 2 | S | 53.3 | Low | 59.7 | Low | 127 Ų | 127 | 160 Ų | 160 | 89% | 0.888 | 85% | 0.848 | S | S | * | * | | | trans | -91.5 | 115.2 | 173.7 | -77.9 | 0 | 0 | 0 | 0 | 107.3 | L4 | S2-L4 PolarHBondContact O-N 2.99Š|
| 3 | E | 61.8 | Low | 60.1 | Low | 174 Ų | 174 | 161.2 Ų | 161.2 | 81% | 0.813 | 85% | 0.845 | S | S | * | * | | | trans | -56.2 | 107.2 | 169.6 | -61.3 | -177.2 | 120 | 0 | 0 | 107.5 | L5 | E3-L5 PolarHBondContact O-N 3.25Š|
| 4 | L | 63.1 | Low | 60.6 | Low | 169 Ų | 169 | 165.9 Ų | 165.9 | 89% | 0.885 | 85% | 0.846 | S | S | * | * | | | trans | -65.4 | 88.4 | 165.3 | -169.5 | 76 | 0 | 0 | 0 | 105.3 | S2 R6 | S2-L4 PolarHBondContact O-N 2.99Å; L4-R6 PolarHBondContact O-N 2.76Å; L4-R6 VanDerWaalsContact C-N 3.34Å |
| 5 | L | 59.2 | Low | 60.7 | Low | 151 Ų | 151 | 158.1 Ų | 158.1 | 79% | 0.791 | 82% | 0.823 | S | S | * | * | | | trans | -45.4 | 104 | 171 | -71.3 | 165.4 | 0 | 0 | 0 | 106.3 | E3 A7 | E3-L5 PolarHBondContact O-N 3.25Å; L5-A7 VanDerWaalsContact C-N 3.26Å; L5-A7 PolarHBondContact O-N 2.82Å |
| 6 | R | 62.5 | Low | 60.8 | Low | 225 Ų | 225 | 156.2 Ų | 156.2 | 85% | 0.849 | 81% | 0.814 | S | S | * | * | | | trans | -55.8 | 96.1 | 177.1 | 179.3 | 176.4 | -65.6 | -101.1 | -3.3 | 106.1 | L4 R8 | L4-R6 PolarHBondContact O-N 2.76Å; L4-R6 VanDerWaalsContact C-N 3.34Å; R6-R8 PolarHBondContact O-N 2.99Å |
| 7 | A | 58.8 | Low | 61.1 | Low | 96 Ų | 96 | 156.2 Ų | 156.2 | 79% | 0.793 | 82% | 0.816 | S | S | * | * | | | trans | -66.4 | 78.8 | 175 | 0 | 0 | 0 | 0 | 0 | 107.7 | L5 S9 | L5-A7 VanDerWaalsContact C-N 3.26Å; L5-A7 PolarHBondContact O-N 2.82Å; A7-S9 PolarHBondContact O-N 2.78Å |
| 8 | R | 62.5 | Low | 61.3 | Low | 230 Ų | 230 | 156.1 Ų | 156.1 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | | | trans | -90.1 | 69.5 | 169.7 | -167.1 | -167.7 | -174.7 | -150.8 | 1.2 | 107.7 | R6 | R6-R8 PolarHBondContact O-N 2.99Š|
| 9 | S | 62.4 | Low | 61.4 | Low | 101 Ų | 101 | 156.7 Ų | 156.7 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | | | trans | -145.9 | 109.2 | 160.6 | -66.3 | 0 | 0 | 0 | 0 | 102.4 | A7 | A7-S9 PolarHBondContact O-N 2.78Š|
| 10 | Q | 60.2 | Low | 61.8 | Low | 191 Ų | 191 | 153.8 Ų | 153.8 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | | | | -149.6 | 121 | 79.6 | -77.2 | 161.6 | -46.3 | 0 | 0 | 109.5 | S12 | Q10-S12 PolarHBondContact O-N 3.16Å; Q10-S12 VanDerWaalsContact O-N 3.16Å |
| 11 | S | 61.8 | Low | 62.2 | Low | 115 Ų | 115 | 151.7 Ų | 151.7 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -60.5 | 113.3 | 159 | 42.4 | 0 | 0 | 0 | 0 | 107.8 | E13 | S11-E13 PolarHBondContact O-N 2.75Å; S11-E13 VanDerWaalsContact C-N 3.28Å |
| 12 | S | 63.7 | Low | 63.5 | Low | 98 Ų | 98 | 148 Ų | 148 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | | | trans | -71.8 | 88.3 | 170.4 | -175.9 | 0 | 0 | 0 | 0 | 107.9 | Q10 R14 | Q10-S12 PolarHBondContact O-N 3.16Å; Q10-S12 VanDerWaalsContact O-N 3.16Å; S12-R14 PolarHBondContact O-N 2.71Å |
| 13 | E | 64.5 | Low | 64.4 | Low | 175 Ų | 175 | 147.6 Ų | 147.6 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | -74.7 | 77.7 | 165.1 | -167 | 89.6 | 68.4 | 0 | 0 | 107.4 | S11 G15 | S11-E13 PolarHBondContact O-N 2.75Å; S11-E13 VanDerWaalsContact C-N 3.28Å; E13-G15 PolarHBondContact O-N 3.46Å |
| 14 | R | 66.5 | Low | 64.9 | Low | 228 Ų | 228 | 146 Ų | 146 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | | | trans | -91.2 | 83.5 | 164.1 | -108.8 | -174.8 | 177.5 | 137 | -2.4 | 106.4 | S12 | S12-R14 PolarHBondContact O-N 2.71Š|
| 15 | G | 62.8 | Low | 65.4 | Low | 48 Ų | 48 | 140.7 Ų | 140.7 | 50% | 0.495 | 76% | 0.763 | S | S | . | * | | | trans | -152.7 | 43.2 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | E13 | E13-G15 PolarHBondContact O-N 3.46Š|
| 16 | N | 62.5 | Low | 66.1 | Low | 128 Ų | 128 | 139 Ų | 139 | 68% | 0.684 | 76% | 0.764 | S | S | * | * | | | trans | -165.5 | 75.2 | 147.9 | -118 | -73.2 | 0 | 0 | 0 | 108.9 | Q18 | N16-Q18 PolarHBondContact O-N 3.37Å; N16-Q18 WeakPolarHBondContact OD1-CB 3.43Å |
| 17 | D | 65.6 | Low | 66.8 | Low | 156 Ų | 156 | 134.1 Ų | 134.1 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | | | trans | -67.6 | 80.5 | 143.4 | -71.6 | -57.5 | 0 | 0 | 0 | 104.8 | E19 | D17-E19 PolarHBondContact O-N 2.98Š|
| 18 | Q | 64.2 | Low | 67.7 | Low | 154 Ų | 154 | 136.7 Ų | 136.7 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | | | trans | -68 | 84.5 | 174.2 | -165.8 | 158.8 | 1.1 | 0 | 0 | 104.9 | N16 S20 | N16-Q18 PolarHBondContact O-N 3.37Å; N16-Q18 WeakPolarHBondContact OD1-CB 3.43Å; Q18-S20 PolarHBondContact O-N 2.99Å |
| 19 | E | 64.3 | Low | 68.5 | Low | 169 Ų | 169 | 130.7 Ų | 130.7 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | | | trans | -49.8 | 98 | 165.1 | 50.7 | -169.8 | 92.3 | 0 | 0 | 105.8 | D17 S21 | D17-E19 PolarHBondContact O-N 2.98Å; E19-S21 VanDerWaalsContact C-N 3.33Å; E19-S21 PolarHBondContact O-OG 2.76Å; E19-S21 PolarHBondContact O-N 2.83Å |
| 20 | S | 68.6 | Low | 69.3 | Low | 98 Ų | 98 | 134.3 Ų | 134.3 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | | | trans | -63.9 | 99.8 | -173.1 | 28.5 | 0 | 0 | 0 | 0 | 106.2 | Q18 Q22 | Q18-S20 PolarHBondContact O-N 2.99Å; S20-Q22 PolarHBondContact O-N 2.8Å |
| 21 | S | 71.2 | Confident | 70.2 | Confident | 110 Ų | 110 | 132.6 Ų | 132.6 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | | | trans | -69.1 | 24.7 | 174.9 | -45.7 | 0 | 0 | 0 | 0 | 112.1 | E19 P23 | E19-S21 VanDerWaalsContact C-N 3.33Å; E19-S21 PolarHBondContact O-OG 2.76Å; E19-S21 PolarHBondContact O-N 2.83Å; S21-P23 WeakPolarHBondContact O-CD 3.19Å; S21-P23 VanDerWaalsContact O-N 3.1Å |
| 22 | Q | 74 | Confident | 70.9 | Confident | 165 Ų | 165 | 132.8 Ų | 132.8 | 77% | 0.771 | 74% | 0.743 | S | S | * | * | | | trans | -62.8 | 115.4 | 171.6 | -71.7 | -126.9 | -52.7 | 0 | 0 | 106.5 | S20 V24 | S20-Q22 PolarHBondContact O-N 2.8Å; Q22-V24 PolarHBondContact O-N 2.9Å |
| 23 | P | 71.9 | Confident | 71.5 | Confident | 119 Ų | 119 | 134.4 Ų | 134.4 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | | | trans | -60.9 | 117.7 | 174.4 | 25.5 | -30.9 | 0 | 0 | 0 | 106.1 | S21 G25 | S21-P23 WeakPolarHBondContact O-CD 3.19Å; S21-P23 VanDerWaalsContact O-N 3.1Å; P23-G25 VanDerWaalsContact C-N 3.31Å; P23-G25 PolarHBondContact O-N 3.02Å |
| 24 | V | 73.6 | Confident | 72.1 | Confident | 140 Ų | 140 | 134.4 Ų | 134.4 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | | | trans | -62 | 104.1 | 170.7 | -168.4 | 0 | 0 | 0 | 0 | 104.6 | Q22 S26 | Q22-V24 PolarHBondContact O-N 2.9Å; V24-S26 PolarHBondContact O-N 3.09Å |
| 25 | G | 72.1 | Confident | 72.4 | Confident | 57 Ų | 57 | 131.2 Ų | 131.2 | 59% | 0.588 | 74% | 0.744 | S | S | * | * | | | trans | -53.4 | 136.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | P23 V27 | P23-G25 VanDerWaalsContact C-N 3.31Å; P23-G25 PolarHBondContact O-N 3.02Å; G25-V27 PolarHBondContact O-N 2.87Å |
| 26 | S | 74.7 | Confident | 72.9 | Confident | 117 Ų | 117 | 137.8 Ų | 137.8 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | -54.8 | 115.9 | 179.9 | -60.6 | 0 | 0 | 0 | 0 | 109.6 | V24 I28 | V24-S26 PolarHBondContact O-N 3.09Å; S26-I28 PolarHBondContact O-N 3.36Å; S26-I28 VanDerWaalsContact O-N 3.09Å |
| 27 | V | 77.3 | Confident | 73.6 | Confident | 122 Ų | 122 | 142.3 Ų | 142.3 | 74% | 0.739 | 77% | 0.766 | S | S | * | * | | | trans | -68.8 | 107.3 | 171.9 | 174.4 | 0 | 0 | 0 | 0 | 106.7 | G25 V29 | G25-V27 PolarHBondContact O-N 2.87Å; V27-V29 HydrophobicContact CG1-CG2 4.23Å; V27-V29 PolarHBondContact O-N 3.06Å |
| 28 | I | 77.2 | Confident | 74.2 | Confident | 150 Ų | 150 | 143.9 Ų | 143.9 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | trans | -73.6 | 99.9 | 169 | -57.2 | 177.9 | 0 | 0 | 0 | 105.9 | S26 Q30 | S26-I28 PolarHBondContact O-N 3.36Å; S26-I28 VanDerWaalsContact O-N 3.09Å; I28-Q30 PolarHBondContact O-N 3.07Å |
| 29 | V | 78.5 | Confident | 74.9 | Confident | 104 Ų | 104 | 145.5 Ų | 145.5 | 63% | 0.63 | 78% | 0.776 | S | S | * | * | | | trans | -68.2 | 112.5 | 168 | -178.6 | 0 | 0 | 0 | 0 | 106 | V27 E31 | V27-V29 HydrophobicContact CG1-CG2 4.23Å; V27-V29 PolarHBondContact O-N 3.06Å; V29-E31 VanDerWaalsContact O-N 3.07Å; V29-E31 PolarHBondContact O-N 3.19Å |
| 30 | Q | 79.3 | Confident | 75.5 | Confident | 177 Ų | 177 | 146 Ų | 146 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | | | trans | -68.6 | 105.8 | 168.4 | -74.6 | 178.9 | 95.2 | 0 | 0 | 106.6 | I28 | I28-Q30 PolarHBondContact O-N 3.07Š|
| 31 | E | 80.7 | Confident | 76.1 | Confident | 154 Ų | 154 | 149.5 Ų | 149.5 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | | | trans | -53.3 | 133.8 | 165.5 | -66.4 | -79.9 | 92.7 | 0 | 0 | 107.2 | V29 T33 | V29-E31 VanDerWaalsContact O-N 3.07Å; V29-E31 PolarHBondContact O-N 3.19Å; E31-T33 PolarHBondContact O-N 2.92Å |
| 32 | P | 76.1 | Confident | 76.6 | Confident | 120 Ų | 120 | 149.1 Ų | 149.1 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | | | trans | -59.8 | 111.7 | 174.5 | 23.5 | -29.9 | 0 | 0 | 0 | 107.7 | E34 | P32-E34 VanDerWaalsContact O-N 3.13Å; P32-E34 PolarHBondContact O-N 3.13Å |
| 33 | T | 76.4 | Confident | 76.8 | Confident | 131 Ų | 131 | 147 Ų | 147 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | -58.9 | 121 | 171.8 | -54.3 | 0 | 0 | 0 | 0 | 106.8 | E31 E35 | E31-T33 PolarHBondContact O-N 2.92Å; T33-E35 PolarHBondContact O-N 3Å |
| 34 | E | 76.2 | Confident | 76.9 | Confident | 176 Ų | 176 | 146.5 Ų | 146.5 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | | | trans | -64.7 | 93 | 170.6 | -171.7 | 156.6 | 120.9 | 0 | 0 | 107.6 | P32 K36 | P32-E34 VanDerWaalsContact O-N 3.13Å; P32-E34 PolarHBondContact O-N 3.13Å; E34-K36 PolarHBondContact O-N 2.78Å |
| 35 | E | 73.3 | Confident | 76.9 | Confident | 161 Ų | 161 | 146.3 Ų | 146.3 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | trans | -63.6 | 105.5 | 169.7 | -172.4 | -179.7 | 98.8 | 0 | 0 | 106.1 | T33 R37 | T33-E35 PolarHBondContact O-N 3Å; E35-R37 VanDerWaalsContact C-N 3.31Å; E35-R37 PolarHBondContact O-N 2.84Å |
| 36 | K | 74.3 | Confident | 76.8 | Confident | 186 Ų | 186 | 148.4 Ų | 148.4 | 81% | 0.809 | 77% | 0.766 | S | S | * | * | | | trans | -60 | 101.2 | 170.6 | -64.6 | -171.7 | -178.5 | 175.9 | 0 | 106.5 | E34 Q38 | E34-K36 PolarHBondContact O-N 2.78Å; K36-Q38 PolarHBondContact O-N 3.14Å; K36-Q38 VanDerWaalsContact O-N 3.13Å |
| 37 | R | 76.8 | Confident | 76.5 | Confident | 223 Ų | 223 | 151.4 Ų | 151.4 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 123 | 172.6 | -67.2 | -172.7 | -176.3 | 143.4 | 3.5 | 106.3 | E35 E39 | E35-R37 VanDerWaalsContact C-N 3.31Å; E35-R37 PolarHBondContact O-N 2.84Å; R37-E39 PolarHBondContact O-N 3.13Å; R37-E39 VanDerWaalsContact O-N 3.14Å |
| 38 | Q | 76.9 | Confident | 75.9 | Confident | 188 Ų | 188 | 149 Ų | 149 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 123.6 | 166.5 | -66.9 | -177.6 | -17.1 | 0 | 0 | 105.8 | K36 E40 | K36-Q38 PolarHBondContact O-N 3.14Å; K36-Q38 VanDerWaalsContact O-N 3.13Å; Q38-E40 PolarHBondContact O-N 3.22Å |
| 39 | E | 79.4 | Confident | 75.2 | Confident | 188 Ų | 188 | 147.9 Ų | 147.9 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 118.6 | 176 | -75.5 | 175.2 | 135.4 | 0 | 0 | 107 | R37 E41 | R37-E39 PolarHBondContact O-N 3.13Å; R37-E39 VanDerWaalsContact O-N 3.14Å; E39-E41 PolarHBondContact O-N 2.95Å |
| 40 | E | 77.9 | Confident | 74.6 | Confident | 180 Ų | 180 | 146.7 Ų | 146.7 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -65 | 117 | 173.3 | -174.2 | 178.9 | 111.2 | 0 | 0 | 106.9 | Q38 | Q38-E40 PolarHBondContact O-N 3.22Š|
| 41 | E | 79.6 | Confident | 74 | Confident | 172 Ų | 172 | 144.3 Ų | 144.3 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 135.3 | 171.4 | -69.8 | -165 | 115.3 | 0 | 0 | 108.6 | E39 | E39-E41 PolarHBondContact O-N 2.95Š|
| 42 | P | 82.6 | Confident | 73.3 | Confident | 101 Ų | 101 | 142.1 Ų | 142.1 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 143.5 | 177.2 | 26 | -33.6 | 0 | 0 | 0 | 109.2 | T44 | P42-T44 PolarHBondContact O-N 3.1Š|
| 43 | P | 78.5 | Confident | 72.8 | Confident | 121 Ų | 121 | 139.3 Ų | 139.3 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -55 | 118.9 | 176.6 | 22.5 | -31.9 | 0 | 0 | 0 | 108.6 | D45 | P43-D45 PolarHBondContact O-N 3.18Š|
| 44 | T | 73.9 | Confident | 72.1 | Confident | 108 Ų | 108 | 141.7 Ų | 141.7 | 66% | 0.663 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -70 | 117 | 178.2 | -37.1 | 0 | 0 | 0 | 0 | 107.6 | P42 N46 | P42-T44 PolarHBondContact O-N 3.1Å; T44-N46 PolarHBondContact O-N 3.02Å |
| 45 | D | 73.3 | Confident | 71.4 | Confident | 137 Ų | 137 | 140.6 Ų | 140.6 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | | | trans | -71.4 | 75.1 | 176.5 | -152.7 | -51.1 | 0 | 0 | 0 | 109.1 | P43 Q47 | P43-D45 PolarHBondContact O-N 3.18Å; D45-Q47 WeakPolarHBondContact OD1-CG 3.19Å; D45-Q47 VanDerWaalsContact OD1-CB 3.29Å; D45-Q47 PolarHBondContact O-N 3.07Å; D45-Q47 WeakPolarHBondContact OD1-CB 3.46Å |
| 46 | N | 69.8 | Low | 70.8 | Confident | 100 Ų | 100 | 141 Ų | 141 | 54% | 0.535 | 76% | 0.759 | S | S | . | * | | | trans | -85.5 | 30.1 | 175.8 | -73.1 | -47 | 0 | 0 | 0 | 111 | T44 G48 | T44-N46 PolarHBondContact O-N 3.02Å; N46-G48 PolarHBondContact O-N 2.99Å |
| 47 | Q | 68.4 | Low | 70.3 | Confident | 180 Ų | 180 | 138.9 Ų | 138.9 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 74.3 | 175.3 | -64.1 | -84.6 | 93.2 | 0 | 0 | 109.2 | D45 | D45-Q47 WeakPolarHBondContact OD1-CG 3.19Å; D45-Q47 VanDerWaalsContact OD1-CB 3.29Å; D45-Q47 PolarHBondContact O-N 3.07Å; D45-Q47 WeakPolarHBondContact OD1-CB 3.46Å |
| 48 | G | 65.6 | Low | 69.5 | Low | 73 Ų | 73 | 135.9 Ų | 135.9 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 143.1 | -4.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | N46 A50 | N46-G48 PolarHBondContact O-N 2.99Å; G48-A50 PolarHBondContact O-N 2.9Å |
| 49 | I | 62.7 | Low | 68.9 | Low | 126 Ų | 126 | 131.8 Ų | 131.8 | 65% | 0.646 | 75% | 0.751 | S | S | * | * | | | trans | -92 | 93.8 | 176.1 | -52.2 | 174.1 | 0 | 0 | 0 | 107.6 | | |
| 50 | A | 65.9 | Low | 68.4 | Low | 79 Ų | 79 | 128.7 Ų | 128.7 | 65% | 0.653 | 74% | 0.744 | S | S | * | * | | | trans | -55 | 133.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | G48 S52 | G48-A50 PolarHBondContact O-N 2.9Å; A50-S52 VanDerWaalsContact C-N 3.34Å; A50-S52 PolarHBondContact O-N 3.08Å |
| 51 | P | 65.5 | Low | 67.9 | Low | 127 Ų | 127 | 124.7 Ų | 124.7 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | | | trans | -58.7 | 104 | 177.8 | 24.2 | -31.5 | 0 | 0 | 0 | 107 | G53 | P51-G53 PolarHBondContact O-N 3.19Š|
| 52 | S | 66.4 | Low | 67.3 | Low | 108 Ų | 108 | 121 Ų | 121 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | | | trans | -61.2 | 116.2 | 169.3 | 51.5 | 0 | 0 | 0 | 0 | 104.7 | A50 | A50-S52 VanDerWaalsContact C-N 3.34Å; A50-S52 PolarHBondContact O-N 3.08Å |
| 53 | G | 65.5 | Low | 66.2 | Low | 61 Ų | 61 | 125.3 Ų | 125.3 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -51.5 | 159.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112 | P51 | P51-G53 PolarHBondContact O-N 3.19Š|
| 54 | E | 61.5 | Low | 65.7 | Low | 180 Ų | 180 | 132.2 Ų | 132.2 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | | | trans | 96.6 | 74.7 | -178.8 | -55.4 | 177.7 | 92.4 | 0 | 0 | 114 | E56 | E54-E56 VanDerWaalsContact O-N 3.08Å; E54-E56 PolarHBondContact O-N 3.06Å |
| 55 | I | 61.1 | Low | 65.2 | Low | 153 Ų | 153 | 133.5 Ų | 133.5 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | trans | -70.9 | 92.3 | 149.1 | -56.6 | 166.7 | 0 | 0 | 0 | 105.7 | N57 | I55-N57 PolarHBondContact O-N 3.27Š|
| 56 | E | 61.6 | Low | 64.8 | Low | 169 Ų | 169 | 133.3 Ų | 133.3 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | | | trans | -58.7 | 111.8 | 162 | -60.5 | -172.4 | 133.6 | 0 | 0 | 106.7 | E54 Q58 | E54-E56 VanDerWaalsContact O-N 3.08Å; E54-E56 PolarHBondContact O-N 3.06Å; E56-Q58 PolarHBondContact O-N 2.8Å |
| 57 | N | 63.2 | Low | 64.5 | Low | 142 Ų | 142 | 135.1 Ų | 135.1 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | | | trans | -63.3 | 103.4 | 179.2 | -95 | -96.6 | 0 | 0 | 0 | 109 | I55 | I55-N57 PolarHBondContact O-N 3.27Š|
| 58 | Q | 61.2 | Low | 64.3 | Low | 161 Ų | 161 | 132.5 Ų | 132.5 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | | | trans | 28.6 | 111.2 | 145.3 | -58 | -171.8 | 47.1 | 0 | 0 | 116.1 | E56 V60 | E56-Q58 PolarHBondContact O-N 2.8Å; Q58-V60 PolarHBondContact O-N 2.77Å |
| 59 | A | 62.9 | Low | 64.2 | Low | 102 Ų | 102 | 136.2 Ų | 136.2 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | | | trans | -51.7 | 110.6 | 153.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | P61 | A59-P61 WeakPolarHBondContact O-CD 3.29Š|
| 60 | V | 69.4 | Low | 64.3 | Low | 123 Ų | 123 | 136.9 Ų | 136.9 | 75% | 0.745 | 79% | 0.791 | S | S | * | * | | | trans | -81.1 | 116.6 | 162.6 | -169.6 | 0 | 0 | 0 | 0 | 105.7 | Q58 A62 | Q58-V60 PolarHBondContact O-N 2.77Å; V60-A62 PolarHBondContact O-N 2.76Å; V60-A62 VanDerWaalsContact O-N 3.1Å |
| 61 | P | 67 | Low | 64.2 | Low | 96 Ų | 96 | 141 Ų | 141 | 62% | 0.623 | 80% | 0.8 | S | S | * | * | | | trans | -63.2 | 119.9 | 167.3 | 25.9 | -28.9 | 0 | 0 | 0 | 106.6 | A59 F63 | A59-P61 WeakPolarHBondContact O-CD 3.29Å; P61-F63 PolarHBondContact O-N 3.06Å |
| 62 | A | 66.5 | Low | 64.1 | Low | 93 Ų | 93 | 142.1 Ų | 142.1 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | | | trans | -58.2 | 108.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 107 | V60 Q64 | V60-A62 PolarHBondContact O-N 2.76Å; V60-A62 VanDerWaalsContact O-N 3.1Å; A62-Q64 PolarHBondContact O-N 3.31Å |
| 63 | F | 60.8 | Low | 63.9 | Low | 193 Ų | 193 | 144.9 Ų | 144.9 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | -59.9 | 121.8 | 163.6 | -72.1 | -87.5 | 0 | 0 | 0 | 106.4 | P61 | P61-F63 PolarHBondContact O-N 3.06Š|
| 64 | Q | 66.6 | Low | 63.8 | Low | 266 Ų | 266 | 152.5 Ų | 152.5 | 100% | 1.243 | 82% | 0.818 | S | S | * | * | | | trans | -67.4 | 0 | 176 | -63.1 | -177.4 | 25.8 | 0 | 0 | 110.9 | A62 | A62-Q64 PolarHBondContact O-N 3.31Š|