| 1 | M | 65.4 | Low | 62.2 | Low | 209 Ų | 209 | 135.3 Ų | 135.3 | 100% | 1.03 | 72% | 0.72 | S | S | * | * | | | | 0 | 114 | 0 | -171.6 | 179.4 | 59.1 | 0 | 0 | 106.9 | | |
| 2 | D | 67.9 | Low | 61.8 | Low | 80 Ų | 80 | 134.7 Ų | 134.7 | 43% | 0.428 | 73% | 0.729 | S | S | . | * | | | trans | -80.1 | 122.1 | -173.9 | -177.1 | -10 | 0 | 0 | 0 | 110.6 | L4 Q5 | D2-L4 WeakPolarHBondContact OD1-CB 3.5Å; D2-L4 PolarHBondContact O-N 3.06Å; D2-L4 PolarHBondContact OD1-N 3.42Å; D2-Q5 HydrophobicContact CB-CG 4.15Å; D2-Q5 PolarHBondContact O-N 3.3Å |
| 3 | P | 61.6 | Low | 61.7 | Low | 106 Ų | 106 | 132.8 Ų | 132.8 | 69% | 0.688 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -59.1 | -25.3 | 178 | -20.7 | 31.3 | 0 | 0 | 0 | 114.1 | Q5 K6 | P3-Q5 VanDerWaalsContact C-N 3.32Å; P3-Q5 PolarHBondContact O-N 3.49Å; P3-K6 PolarHBondContact O-N 3.44Å |
| 4 | L | 64 | Low | 61.6 | Low | 124 Ų | 124 | 138.7 Ų | 138.7 | 65% | 0.649 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -76.4 | -20.8 | -175.4 | -60 | 177.6 | 0 | 0 | 0 | 112.7 | D2 K6 R7 | D2-L4 WeakPolarHBondContact OD1-CB 3.5Å; D2-L4 PolarHBondContact O-N 3.06Å; D2-L4 PolarHBondContact OD1-N 3.42Å; L4-K6 PolarHBondContact O-N 2.9Å; L4-R7 WeakPolarHBondContact O-CB 3.37Å; L4-R7 PolarHBondContact O-N 3.21Å |
| 5 | Q | 61.3 | Low | 61.6 | Low | 155 Ų | 155 | 136.9 Ų | 136.9 | 72% | 0.724 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -70.3 | -16 | 175.8 | -68.8 | -166.3 | -25.3 | 0 | 0 | 113.5 | D2 P3 R7 | D2-Q5 HydrophobicContact CB-CG 4.15Å; D2-Q5 PolarHBondContact O-N 3.3Å; P3-Q5 VanDerWaalsContact C-N 3.32Å; P3-Q5 PolarHBondContact O-N 3.49Å; Q5-R7 VanDerWaalsContact C-N 3.3Å |
| 6 | K | 60.1 | Low | 61.6 | Low | 169 Ų | 169 | 135.1 Ų | 135.1 | 74% | 0.735 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -82.1 | -9.2 | 171.6 | -61.8 | -167.6 | 178.7 | -165.1 | 0 | 113 | P3 L4 N8 | P3-K6 PolarHBondContact O-N 3.44Å; L4-K6 PolarHBondContact O-N 2.9Å; K6-N8 VanDerWaalsContact C-N 3.29Å; K6-N8 PolarHBondContact O-N 3.33Å |
| 7 | R | 58.3 | Low | 61.5 | Low | 212 Ų | 212 | 133.8 Ų | 133.8 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | | | trans | -97.6 | 42.2 | 178.2 | -160.2 | -164.7 | 174.8 | 139.3 | -0.5 | 111.2 | L4 Q5 P9 | L4-R7 WeakPolarHBondContact O-CB 3.37Å; L4-R7 PolarHBondContact O-N 3.21Å; Q5-R7 VanDerWaalsContact C-N 3.3Å; R7-P9 VanDerWaalsContact C-CD 3.44Å; R7-P9 VanDerWaalsContact O-CD 3.26Å; R7-P9 WeakPolarHBondContact O-CD 3.26Å |
| 8 | N | 63.2 | Low | 61.3 | Low | 139 Ų | 139 | 136.2 Ų | 136.2 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | | | trans | -107.5 | 86.6 | 162.2 | -151.9 | -1 | 0 | 0 | 0 | 107.4 | K6 A10 | K6-N8 VanDerWaalsContact C-N 3.29Å; K6-N8 PolarHBondContact O-N 3.33Å; N8-A10 VanDerWaalsContact C-N 3.27Å; N8-A10 PolarHBondContact O-N 2.91Å |
| 9 | P | 59.7 | Low | 61.2 | Low | 105 Ų | 105 | 136.4 Ų | 136.4 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | | | trans | -68.8 | 98.5 | 168 | 27.9 | -27.4 | 0 | 0 | 0 | 105.7 | R7 S11 | R7-P9 VanDerWaalsContact C-CD 3.44Å; R7-P9 VanDerWaalsContact O-CD 3.26Å; R7-P9 WeakPolarHBondContact O-CD 3.26Å; P9-S11 PolarHBondContact O-N 2.91Å |
| 10 | A | 60 | Low | 61.4 | Low | 90 Ų | 90 | 133.3 Ų | 133.3 | 74% | 0.744 | 75% | 0.753 | S | S | * | * | | | trans | -47.2 | 112.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 105.9 | N8 | N8-A10 VanDerWaalsContact C-N 3.27Å; N8-A10 PolarHBondContact O-N 2.91Å |
| 11 | S | 62.5 | Low | 61.4 | Low | 99 Ų | 99 | 130.6 Ų | 130.6 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | | | trans | -50.8 | 125.9 | -176.7 | 38 | 0 | 0 | 0 | 0 | 108.6 | P9 S13 | P9-S11 PolarHBondContact O-N 2.91Å; S11-S13 PolarHBondContact O-N 3.25Å |
| 12 | P | 57.2 | Low | 61.2 | Low | 128 Ų | 128 | 129.8 Ų | 129.8 | 83% | 0.831 | 74% | 0.742 | S | S | * | * | | | trans | -65.8 | 108.3 | 167.4 | 25.4 | -29.4 | 0 | 0 | 0 | 107 | K14 | P12-K14 PolarHBondContact O-N 2.9Š|
| 13 | S | 60.7 | Low | 60.7 | Low | 110 Ų | 110 | 130.9 Ų | 130.9 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | | | trans | -39.6 | 134.7 | 165.5 | -87.2 | 0 | 0 | 0 | 0 | 110.6 | S11 S15 | S11-S13 PolarHBondContact O-N 3.25Å; S13-S15 PolarHBondContact O-N 3.48Å |
| 14 | K | 61 | Low | 60.9 | Low | 216 Ų | 216 | 131.5 Ų | 131.5 | 94% | 0.939 | 76% | 0.758 | S | S | * | * | | | trans | -44.4 | 122.4 | 173.6 | -71.2 | 176.3 | 174.5 | 175.9 | 0 | 111.4 | P12 | P12-K14 PolarHBondContact O-N 2.9Š|
| 15 | S | 61.5 | Low | 60.9 | Low | 112 Ų | 112 | 133.6 Ų | 133.6 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | | | trans | -146.2 | 93.4 | 164 | 176.7 | 0 | 0 | 0 | 0 | 106.7 | S13 | S13-S15 PolarHBondContact O-N 3.48Š|
| 16 | S | 61.5 | Low | 60.9 | Low | 108 Ų | 108 | 135.5 Ų | 135.5 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | | | | 89.4 | 136.8 | 102.3 | -156 | 0 | 0 | 0 | 0 | 112.1 | | |
| 17 | P | 59.3 | Low | 61.2 | Low | 113 Ų | 113 | 129.5 Ų | 129.5 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | | | trans | -79.9 | 134.9 | -144.4 | 31.2 | -33 | 0 | 0 | 0 | 113.8 | T19 | P17-T19 PolarHBondContact O-N 2.78Š|
| 18 | M | 58.8 | Low | 61.8 | Low | 177 Ų | 177 | 125.6 Ų | 125.6 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | | | trans | 8.1 | 100 | 143.7 | -151.6 | 89.5 | 160.3 | 0 | 0 | 115.3 | | |
| 19 | T | 58.8 | Low | 62.2 | Low | 139 Ų | 139 | 122.8 Ų | 122.8 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | | | trans | -90 | 98.1 | 151.3 | -51.3 | 0 | 0 | 0 | 0 | 106.2 | P17 A21 | P17-T19 PolarHBondContact O-N 2.78Å; T19-A21 VanDerWaalsContact C-N 3.32Å; T19-A21 PolarHBondContact O-N 2.9Å |
| 20 | A | 64.7 | Low | 62.8 | Low | 74 Ų | 74 | 123.5 Ų | 123.5 | 61% | 0.612 | 76% | 0.763 | S | S | * | * | | | trans | -68.5 | 97 | 167.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | E22 | A20-E22 PolarHBondContact O-N 3.1Å; A20-E22 VanDerWaalsContact O-N 3.1Å |
| 21 | A | 62.3 | Low | 63.4 | Low | 77 Ų | 77 | 124.9 Ų | 124.9 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | | | trans | -63.5 | 111.3 | 163 | 0 | 0 | 0 | 0 | 0 | 106 | T19 T23 | T19-A21 VanDerWaalsContact C-N 3.32Å; T19-A21 PolarHBondContact O-N 2.9Å; A21-T23 HydrophobicContact CB-CG2 4.5Å; A21-T23 PolarHBondContact O-N 3.34Å |
| 22 | E | 61 | Low | 64 | Low | 193 Ų | 193 | 128.9 Ų | 128.9 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | | | trans | -64.9 | 86.1 | 167.3 | -66.7 | -173.8 | 112.4 | 0 | 0 | 107 | A20 S24 | A20-E22 PolarHBondContact O-N 3.1Å; A20-E22 VanDerWaalsContact O-N 3.1Å; E22-S24 PolarHBondContact O-N 3Å |
| 23 | T | 57.6 | Low | 64.6 | Low | 102 Ų | 102 | 126.9 Ų | 126.9 | 63% | 0.626 | 76% | 0.762 | S | S | * | * | | | trans | -70.1 | 91.2 | 168.9 | 54.6 | 0 | 0 | 0 | 0 | 105.8 | A21 Q25 | A21-T23 HydrophobicContact CB-CG2 4.5Å; A21-T23 PolarHBondContact O-N 3.34Å; T23-Q25 PolarHBondContact O-N 3.16Å |
| 24 | S | 65.3 | Low | 65.2 | Low | 120 Ų | 120 | 126.8 Ų | 126.8 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | | | trans | -65.3 | 79.9 | 162.6 | -160 | 0 | 0 | 0 | 0 | 106.9 | E22 E26 | E22-S24 PolarHBondContact O-N 3Å; S24-E26 VanDerWaalsContact C-N 3.28Å; S24-E26 PolarHBondContact O-N 2.96Å; S24-E26 VanDerWaalsContact O-N 3.16Å |
| 25 | Q | 64.1 | Low | 65.6 | Low | 168 Ų | 168 | 126.1 Ų | 126.1 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | | | trans | -80.8 | 84.5 | 169.6 | -78.7 | -169.1 | -86.3 | 0 | 0 | 106.9 | T23 G27 | T23-Q25 PolarHBondContact O-N 3.16Å; Q25-G27 PolarHBondContact O-N 3.18Å |
| 26 | E | 61.2 | Low | 66.2 | Low | 194 Ų | 194 | 125.2 Ų | 125.2 | 91% | 0.907 | 75% | 0.747 | S | S | * | * | | | trans | -74.8 | 74.6 | 152.9 | -169.9 | 149.3 | 77.4 | 0 | 0 | 107.4 | S24 | S24-E26 VanDerWaalsContact C-N 3.28Å; S24-E26 PolarHBondContact O-N 2.96Å; S24-E26 VanDerWaalsContact O-N 3.16Å |
| 27 | G | 67 | Low | 66.6 | Low | 43 Ų | 43 | 128.8 Ų | 128.8 | 44% | 0.443 | 75% | 0.752 | S | S | . | * | P | Polyproline II helix | trans | -85 | 150.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q25 A29 | Q25-G27 PolarHBondContact O-N 3.18Å; G27-A29 PolarHBondContact O-N 2.97Å |
| 28 | P | 69.7 | Low | 67.2 | Low | 130 Ų | 130 | 131.3 Ų | 131.3 | 84% | 0.844 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 128.9 | 174.4 | 22.3 | -30.7 | 0 | 0 | 0 | 108.8 | | |
| 29 | A | 72.9 | Confident | 67.7 | Low | 81 Ų | 81 | 128.2 Ų | 128.2 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 133.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109 | G27 S31 | G27-A29 PolarHBondContact O-N 2.97Å; A29-S31 PolarHBondContact O-N 2.77Å |
| 30 | P | 71.4 | Confident | 68.2 | Low | 120 Ų | 120 | 130.2 Ų | 130.2 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -56 | 119 | 177.9 | 23.5 | -32.1 | 0 | 0 | 0 | 107.1 | Q32 | P30-Q32 PolarHBondContact O-N 3.05Š|
| 31 | S | 73.8 | Confident | 68.4 | Low | 118 Ų | 118 | 134.5 Ų | 134.5 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | | | trans | -55.3 | 114.6 | 176.4 | -49 | 0 | 0 | 0 | 0 | 106.6 | A29 | A29-S31 PolarHBondContact O-N 2.77Š|
| 32 | Q | 73.9 | Confident | 68.7 | Low | 183 Ų | 183 | 133.5 Ų | 133.5 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | | | trans | -58.9 | 134.8 | -176.2 | -68 | -169.6 | -57.7 | 0 | 0 | 107.9 | P30 S34 | P30-Q32 PolarHBondContact O-N 3.05Å; Q32-S34 PolarHBondContact O-N 2.96Å |
| 33 | P | 69.3 | Low | 69 | Low | 87 Ų | 87 | 130.5 Ų | 130.5 | 57% | 0.565 | 75% | 0.745 | S | S | * | * | | | trans | -56.6 | 120.1 | 171 | 23.6 | -32.8 | 0 | 0 | 0 | 108 | Y35 | P33-Y35 VanDerWaalsContact C-N 3.35Å; P33-Y35 HydrophobicContact CB-CD2 4.09Å; P33-Y35 HydrophobicContact CB-CE2 3.78Å; P33-Y35 HydrophobicContact CG-CD2 3.95Å; P33-Y35 HydrophobicContact CG-CE2 3.39Å; P33-Y35 WeakPolarHBondContact O-CD2 3.45Å; P33-Y35 PolarHBondContact O-N 2.99Å |
| 34 | S | 74.6 | Confident | 69.2 | Low | 108 Ų | 108 | 130.6 Ų | 130.6 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | | | trans | -70.2 | 96.9 | 170.3 | -172.2 | 0 | 0 | 0 | 0 | 107.3 | Q32 S36 | Q32-S34 PolarHBondContact O-N 2.96Å; S34-S36 VanDerWaalsContact C-N 3.27Å; S34-S36 PolarHBondContact O-N 3.07Å |
| 35 | Y | 69.8 | Low | 69.2 | Low | 201 Ų | 201 | 132.4 Ų | 132.4 | 79% | 0.788 | 75% | 0.75 | S | S | * | * | | | trans | -79.8 | 77.3 | 172.4 | -77.3 | -80.2 | 0 | 0 | 0 | 109.3 | P33 | P33-Y35 VanDerWaalsContact C-N 3.35Å; P33-Y35 HydrophobicContact CB-CD2 4.09Å; P33-Y35 HydrophobicContact CB-CE2 3.78Å; P33-Y35 HydrophobicContact CG-CD2 3.95Å; P33-Y35 HydrophobicContact CG-CE2 3.39Å; P33-Y35 WeakPolarHBondContact O-CD2 3.45Å; P33-Y35 PolarHBondContact O-N 2.99Å |
| 36 | S | 73.3 | Confident | 69.1 | Low | 93 Ų | 93 | 130.3 Ų | 130.3 | 65% | 0.65 | 74% | 0.744 | S | S | * | * | | | trans | -107.6 | 65.1 | 170.1 | 68.8 | 0 | 0 | 0 | 0 | 110.6 | S34 | S34-S36 VanDerWaalsContact C-N 3.27Å; S34-S36 PolarHBondContact O-N 3.07Å |
| 37 | E | 69.2 | Low | 69.1 | Low | 184 Ų | 184 | 125.9 Ų | 125.9 | 86% | 0.86 | 73% | 0.734 | S | S | * | * | | | trans | -166.2 | 70.1 | 164 | -107.9 | 159 | 179.4 | 0 | 0 | 108.4 | P39 | E37-P39 WeakPolarHBondContact O-CD 3.44Š|
| 38 | Q | 72.5 | Confident | 68.8 | Low | 166 Ų | 166 | 129.9 Ų | 129.9 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | | | trans | -66.6 | 123.1 | 158 | -66.8 | -78.2 | -55.7 | 0 | 0 | 106 | M40 | Q38-M40 PolarHBondContact O-N 2.9Š|
| 39 | P | 70 | Confident | 68.6 | Low | 111 Ų | 111 | 126.6 Ų | 126.6 | 72% | 0.721 | 74% | 0.742 | S | S | * | * | | | trans | -64.1 | 106.3 | 169.6 | 26.1 | -30.9 | 0 | 0 | 0 | 106.8 | E37 M41 | E37-P39 WeakPolarHBondContact O-CD 3.44Å; P39-M41 PolarHBondContact O-N 2.87Å |
| 40 | M | 68.3 | Low | 67.7 | Low | 182 Ų | 182 | 128.4 Ų | 128.4 | 90% | 0.897 | 75% | 0.747 | S | S | * | * | | | trans | -64.3 | 93.5 | 167.2 | -73.5 | -168.4 | -59.3 | 0 | 0 | 106.6 | Q38 G42 | Q38-M40 PolarHBondContact O-N 2.9Å; M40-G42 PolarHBondContact O-N 2.81Å |
| 41 | M | 69 | Low | 67.2 | Low | 164 Ų | 164 | 126 Ų | 126 | 81% | 0.808 | 74% | 0.743 | S | S | * | * | | | trans | -61.9 | 100.3 | 160.8 | -73 | -174.7 | -64.7 | 0 | 0 | 105.5 | P39 L43 | P39-M41 PolarHBondContact O-N 2.87Å; M41-L43 PolarHBondContact O-N 3.07Å; M41-L43 VanDerWaalsContact O-N 3.07Å |
| 42 | G | 68.8 | Low | 66.3 | Low | 56 Ų | 56 | 126.4 Ų | 126.4 | 58% | 0.577 | 74% | 0.744 | S | S | * | * | | | trans | -49.4 | 119.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | M40 S44 | M40-G42 PolarHBondContact O-N 2.81Å; G42-S44 PolarHBondContact O-N 3.5Å; G42-S44 PolarHBondContact O-OG 2.9Å |
| 43 | L | 66.6 | Low | 65.2 | Low | 130 Ų | 130 | 123.1 Ų | 123.1 | 68% | 0.681 | 74% | 0.741 | S | S | * | * | | | trans | -72.7 | 48.4 | 176.4 | -67.2 | 167.5 | 0 | 0 | 0 | 109.8 | M41 N45 L46 | M41-L43 PolarHBondContact O-N 3.07Å; M41-L43 VanDerWaalsContact O-N 3.07Å; L43-N45 PolarHBondContact O-N 2.77Å; L43-L46 HydrophobicContact CG-CG 4.37Å; L43-L46 PolarHBondContact O-N 3.24Å; L43-L46 HydrophobicContact CG-CD1 3.96Å; L43-L46 HydrophobicContact CD2-CG 4.04Å; L43-L46 HydrophobicContact CD2-CD1 3.88Å; L43-L46 HydrophobicContact CD1-CD1 3.63Å; L43-L46 HydrophobicContact CB-CG 3.93Å; L43-L46 HydrophobicContact CB-CD1 3.83Å |
| 44 | S | 63.2 | Low | 64.4 | Low | 103 Ų | 103 | 128.5 Ų | 128.5 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -2.2 | -171.1 | -52.1 | 0 | 0 | 0 | 0 | 113 | G42 | G42-S44 PolarHBondContact O-N 3.5Å; G42-S44 PolarHBondContact O-OG 2.9Å |
| 45 | N | 63.9 | Low | 63.2 | Low | 158 Ų | 158 | 128 Ų | 128 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.5 | 30 | 177.5 | -59.5 | -50.6 | 0 | 0 | 0 | 113.5 | L43 S47 | L43-N45 PolarHBondContact O-N 2.77Å; N45-S47 VanDerWaalsContact C-N 3.25Å; N45-S47 PolarHBondContact O-N 3Å |
| 46 | L | 61.8 | Low | 61.9 | Low | 124 Ų | 124 | 128.8 Ų | 128.8 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | | | trans | -73.8 | 90.7 | 160.1 | -72.3 | -177.5 | 0 | 0 | 0 | 107.7 | L43 P48 | L43-L46 HydrophobicContact CG-CG 4.37Å; L43-L46 PolarHBondContact O-N 3.24Å; L43-L46 HydrophobicContact CG-CD1 3.96Å; L43-L46 HydrophobicContact CD2-CG 4.04Å; L43-L46 HydrophobicContact CD2-CD1 3.88Å; L43-L46 HydrophobicContact CD1-CD1 3.63Å; L43-L46 HydrophobicContact CB-CG 3.93Å; L43-L46 HydrophobicContact CB-CD1 3.83Å; L46-P48 WeakPolarHBondContact O-CD 3.26Å |
| 47 | S | 63.2 | Low | 61.4 | Low | 101 Ų | 101 | 130.6 Ų | 130.6 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | | | trans | -61 | 127.9 | 165.6 | 74.5 | 0 | 0 | 0 | 0 | 107.5 | N45 G49 | N45-S47 VanDerWaalsContact C-N 3.25Å; N45-S47 PolarHBondContact O-N 3Å; S47-G49 PolarHBondContact O-N 2.86Å |
| 48 | P | 60.2 | Low | 61 | Low | 128 Ų | 128 | 127.8 Ų | 127.8 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | | | trans | -75.7 | 80 | 168.6 | 29.7 | -28.3 | 0 | 0 | 0 | 106.6 | L46 P50 | L46-P48 WeakPolarHBondContact O-CD 3.26Å; P48-P50 VanDerWaalsContact C-CD 3.48Å; P48-P50 VanDerWaalsContact O-CD 3.26Å; P48-P50 WeakPolarHBondContact O-CD 3.43Å |
| 49 | G | 64.6 | Low | 60.3 | Low | 60 Ų | 60 | 125.7 Ų | 125.7 | 62% | 0.619 | 79% | 0.79 | S | S | * | * | | | trans | -107.7 | 89.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S47 | S47-G49 PolarHBondContact O-N 2.86Š|
| 50 | P | 54.8 | Low | 59.8 | Low | 119 Ų | 119 | 126.5 Ų | 126.5 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | -83.7 | 109.2 | 146.8 | 30.2 | -22 | 0 | 0 | 0 | 107.8 | P48 | P48-P50 VanDerWaalsContact C-CD 3.48Å; P48-P50 VanDerWaalsContact O-CD 3.26Å; P48-P50 WeakPolarHBondContact O-CD 3.43Å |
| 51 | G | 59.5 | Low | 59.2 | Low | 69 Ų | 69 | 123.1 Ų | 123.1 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | -75.2 | 170.2 | 147.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 52 | P | 55.3 | Low | 58.6 | Low | 128 Ų | 128 | 120.3 Ų | 120.3 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | | | cis | -113.4 | 173.7 | -28.1 | 36.8 | -22.8 | 0 | 0 | 0 | 112.6 | | |
| 53 | S | 51.8 | Low | 57.8 | Low | 113 Ų | 113 | 124.9 Ų | 124.9 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | | | trans | 76.8 | 103.3 | 155.5 | -135 | 0 | 0 | 0 | 0 | 119.4 | | |
| 54 | Q | 52.3 | Low | 57.2 | Low | 200 Ų | 200 | 124.5 Ų | 124.5 | 94% | 0.935 | 81% | 0.811 | S | S | * | * | | | trans | -137 | 134.9 | 130.4 | -77.6 | -155.6 | 10.3 | 0 | 0 | 109.9 | | |
| 55 | A | 49 | Very low | 56.7 | Low | 98 Ų | 98 | 126.3 Ų | 126.3 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | | | trans | -73.2 | 149.6 | -173 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 56 | V | 43.7 | Very low | 56 | Low | 218 Ų | 218 | 123.5 Ų | 123.5 | 100% | 1.321 | 82% | 0.816 | S | S | * | * | | | trans | -142.7 | 0 | 137.3 | 90.5 | 0 | 0 | 0 | 0 | 109.2 | | |