| 1 | M | 41.9 | Very low | 58.4 | Low | 244 Ų | 244 | 138.5 Ų | 138.5 | 100% | 1.202 | 80% | 0.8 | S | S | * | * | | | | 0 | 110.7 | 0 | -64.6 | 176.1 | -145.1 | 0 | 0 | 106.9 | | |
| 2 | T | 48.3 | Very low | 58.7 | Low | 143 Ų | 143 | 142.1 Ų | 142.1 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | | | trans | -110.7 | 115.1 | 178.2 | 44.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 3 | C | 55.7 | Low | 59.6 | Low | 121 Ų | 121 | 142.4 Ų | 142.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 126.4 | 173.6 | -160.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 4 | G | 57.5 | Low | 60 | Low | 52 Ų | 52 | 140.7 Ų | 140.7 | 54% | 0.536 | 79% | 0.787 | S | S | . | * | P | Polyproline II helix | trans | -77.9 | 171 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V6 | G4-V6 PolarHBondContact O-N 3.17Š|
| 5 | P | 64.6 | Low | 60.8 | Low | 124 Ų | 124 | 141.5 Ų | 141.5 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -60 | 126.6 | 179.2 | 25.7 | -32.2 | 0 | 0 | 0 | 109.9 | D7 | P5-D7 PolarHBondContact O-N 3.26Š|
| 6 | V | 62.9 | Low | 61.3 | Low | 112 Ų | 112 | 141.7 Ų | 141.7 | 68% | 0.679 | 78% | 0.783 | S | S | * | * | | | trans | -81.5 | 109.2 | 168.2 | 177.8 | 0 | 0 | 0 | 0 | 106.2 | G4 T8 | G4-V6 PolarHBondContact O-N 3.17Å; V6-T8 PolarHBondContact O-OG1 2.7Å; V6-T8 PolarHBondContact O-N 2.75Å |
| 7 | D | 62.5 | Low | 61.9 | Low | 147 Ų | 147 | 139.4 Ų | 139.4 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | | | trans | -60.8 | 103.3 | 172.9 | -76 | -35.7 | 0 | 0 | 0 | 108.6 | P5 L9 | P5-D7 PolarHBondContact O-N 3.26Å; D7-L9 PolarHBondContact O-N 3.32Å |
| 8 | T | 58.8 | Low | 62.4 | Low | 119 Ų | 119 | 137.1 Ų | 137.1 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | | | trans | -85.5 | 96.9 | 176.8 | -42.4 | 0 | 0 | 0 | 0 | 106.8 | V6 L10 | V6-T8 PolarHBondContact O-OG1 2.7Å; V6-T8 PolarHBondContact O-N 2.75Å; T8-L10 PolarHBondContact O-N 3Å; T8-L10 VanDerWaalsContact O-N 3.11Å |
| 9 | L | 64.6 | Low | 62.8 | Low | 160 Ų | 160 | 136.3 Ų | 136.3 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | | | trans | -67.9 | 108.8 | 172.1 | -69.5 | 172.2 | 0 | 0 | 0 | 108.5 | D7 M11 | D7-L9 PolarHBondContact O-N 3.32Å; L9-M11 PolarHBondContact O-N 2.86Å |
| 10 | L | 63.7 | Low | 62.9 | Low | 132 Ų | 132 | 139.3 Ų | 139.3 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | | | trans | -70 | 99.3 | 170 | -76.1 | 161.7 | 0 | 0 | 0 | 108.6 | T8 Y12 | T8-L10 PolarHBondContact O-N 3Å; T8-L10 VanDerWaalsContact O-N 3.11Å; L10-Y12 HydrophobicContact CB-CD2 4.46Å; L10-Y12 HydrophobicContact CB-CE2 3.84Å; L10-Y12 PolarHBondContact O-N 2.85Å |
| 11 | M | 62 | Low | 63.1 | Low | 170 Ų | 170 | 140 Ų | 140 | 84% | 0.837 | 77% | 0.772 | S | S | * | * | | | trans | -79.8 | 110.2 | 168.1 | -106 | 167.6 | 55.9 | 0 | 0 | 108.9 | L9 | L9-M11 PolarHBondContact O-N 2.86Š|
| 12 | Y | 61.6 | Low | 64.3 | Low | 181 Ų | 181 | 133.4 Ų | 133.4 | 71% | 0.71 | 75% | 0.747 | S | S | * | * | | | trans | -87.9 | 123.2 | 169.6 | -65.3 | -83.7 | 0 | 0 | 0 | 109.6 | L10 V14 | L10-Y12 HydrophobicContact CB-CD2 4.46Å; L10-Y12 HydrophobicContact CB-CE2 3.84Å; L10-Y12 PolarHBondContact O-N 2.85Å; Y12-V14 PolarHBondContact O-N 3.37Å |
| 13 | N | 70.4 | Confident | 64.8 | Low | 146 Ų | 146 | 138 Ų | 138 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | | | trans | -78.1 | 105 | 168.9 | -75 | -16.9 | 0 | 0 | 0 | 108.8 | I15 | N13-I15 PolarHBondContact O-N 3.18Š|
| 14 | V | 65.4 | Low | 64.9 | Low | 119 Ų | 119 | 135.3 Ų | 135.3 | 72% | 0.721 | 73% | 0.725 | S | S | * | * | | | trans | -84 | 111.6 | 172.9 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | Y12 I16 | Y12-V14 PolarHBondContact O-N 3.37Å; V14-I16 HydrophobicContact CG1-CG1 4.1Å; V14-I16 PolarHBondContact O-N 2.97Å |
| 15 | I | 72.8 | Confident | 64.7 | Low | 153 Ų | 153 | 139 Ų | 139 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | | | trans | -85.2 | 106.8 | 171.5 | -58.6 | 177.3 | 0 | 0 | 0 | 107.6 | N13 P17 | N13-I15 PolarHBondContact O-N 3.18Å; I15-P17 WeakPolarHBondContact O-CD 3.31Å |
| 16 | I | 68.2 | Low | 64.2 | Low | 144 Ų | 144 | 137.8 Ų | 137.8 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | | | trans | -86.7 | 116.1 | 170.4 | -56.2 | 177.3 | 0 | 0 | 0 | 107.3 | V14 A18 | V14-I16 HydrophobicContact CG1-CG1 4.1Å; V14-I16 PolarHBondContact O-N 2.97Å; I16-A18 PolarHBondContact O-N 3.25Å |
| 17 | P | 71.9 | Confident | 63.7 | Low | 103 Ų | 103 | 142.1 Ų | 142.1 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | | | trans | -63.3 | 126.8 | 175 | 25.2 | -31.1 | 0 | 0 | 0 | 109.2 | I15 I19 | I15-P17 WeakPolarHBondContact O-CD 3.31Å; P17-I19 PolarHBondContact O-N 3.22Å |
| 18 | A | 71.2 | Confident | 63.1 | Low | 97 Ų | 97 | 140.1 Ų | 140.1 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | | | trans | -64.6 | 108.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109 | I16 K20 | I16-A18 PolarHBondContact O-N 3.25Å; A18-K20 PolarHBondContact O-N 3.33Å |
| 19 | I | 69.1 | Low | 62.8 | Low | 122 Ų | 122 | 142.1 Ų | 142.1 | 63% | 0.626 | 74% | 0.737 | S | S | * | * | | | trans | -70.7 | 112.4 | 169.2 | -60.5 | 169.2 | 0 | 0 | 0 | 106.1 | P17 E21 | P17-I19 PolarHBondContact O-N 3.22Å; I19-E21 PolarHBondContact O-N 3.21Å |
| 20 | K | 65.9 | Low | 62.3 | Low | 197 Ų | 197 | 138.8 Ų | 138.8 | 86% | 0.857 | 72% | 0.72 | S | S | * | * | | | trans | -68.3 | 114.8 | 168.2 | -75.7 | -174.7 | 177.3 | 179.8 | 0 | 107.5 | A18 | A18-K20 PolarHBondContact O-N 3.33Š|
| 21 | E | 66.7 | Low | 61.8 | Low | 154 Ų | 154 | 138.1 Ų | 138.1 | 72% | 0.72 | 72% | 0.721 | S | S | * | * | | | trans | -58 | 133.5 | 170.5 | -67.4 | -173.2 | 159.5 | 0 | 0 | 109.4 | I19 R23 | I19-E21 PolarHBondContact O-N 3.21Å; E21-R23 PolarHBondContact O-N 3.03Å |
| 22 | P | 65.7 | Low | 61.7 | Low | 106 Ų | 106 | 137.9 Ų | 137.9 | 69% | 0.688 | 71% | 0.711 | S | S | * | * | | | trans | -60 | 126.6 | 166.5 | 24.3 | -29.5 | 0 | 0 | 0 | 107.9 | I24 | P22-I24 VanDerWaalsContact C-N 3.28Å; P22-I24 PolarHBondContact O-N 3.23Å |
| 23 | R | 59.1 | Low | 61.8 | Low | 239 Ų | 239 | 138.4 Ų | 138.4 | 90% | 0.902 | 72% | 0.717 | S | S | * | * | | | trans | -64.9 | 95.4 | 167.6 | -75.8 | -175.5 | 177.6 | -175.8 | -1 | 107.3 | E21 T25 | E21-R23 PolarHBondContact O-N 3.03Å; R23-T25 VanDerWaalsContact C-N 3.33Å; R23-T25 PolarHBondContact O-N 3.27Å |
| 24 | I | 58.6 | Low | 61.6 | Low | 64 Ų | 64 | 136.7 Ų | 136.7 | 33% | 0.328 | 71% | 0.714 | S | S | . | * | | | trans | -70.4 | 93.1 | 169.3 | -60.4 | 175.5 | 0 | 0 | 0 | 106.7 | P22 D26 | P22-I24 VanDerWaalsContact C-N 3.28Å; P22-I24 PolarHBondContact O-N 3.23Å; I24-D26 HydrophobicContact CG2-CB 3.67Å; I24-D26 VanDerWaalsContact CG2-OD2 3.31Å; I24-D26 WeakPolarHBondContact CG2-OD2 3.47Å; I24-D26 PolarHBondContact O-N 3.43Å |
| 25 | T | 52.2 | Low | 61.7 | Low | 131 Ų | 131 | 138.3 Ų | 138.3 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | | | trans | -85.4 | 71.1 | 159.6 | 43.7 | 0 | 0 | 0 | 0 | 108 | R23 | R23-T25 VanDerWaalsContact C-N 3.33Å; R23-T25 PolarHBondContact O-N 3.27Å |
| 26 | D | 54.9 | Low | 61.5 | Low | 98 Ų | 98 | 139.4 Ų | 139.4 | 52% | 0.524 | 71% | 0.71 | S | S | . | * | | | trans | -109.6 | 112.8 | 171.1 | -78.2 | -44 | 0 | 0 | 0 | 109.6 | I24 T28 | I24-D26 HydrophobicContact CG2-CB 3.67Å; I24-D26 VanDerWaalsContact CG2-OD2 3.31Å; I24-D26 WeakPolarHBondContact CG2-OD2 3.47Å; I24-D26 PolarHBondContact O-N 3.43Å; D26-T28 PolarHBondContact O-N 3.33Å; D26-T28 VanDerWaalsContact O-N 3.17Å |
| 27 | Q | 51.7 | Low | 61.6 | Low | 203 Ų | 203 | 140.3 Ų | 140.3 | 95% | 0.949 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -77 | 20.7 | 170.9 | -143.9 | 177.9 | 7.9 | 0 | 0 | 111.8 | | |
| 28 | T | 51.3 | Low | 61.6 | Low | 105 Ų | 105 | 140.2 Ų | 140.2 | 64% | 0.644 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -139.5 | 92.9 | -175.6 | 14.2 | 0 | 0 | 0 | 0 | 107.8 | D26 D30 | D26-T28 PolarHBondContact O-N 3.33Å; D26-T28 VanDerWaalsContact O-N 3.17Å; T28-D30 PolarHBondContact O-N 3.48Å |
| 29 | N | 50.9 | Low | 61.8 | Low | 160 Ų | 160 | 143 Ų | 143 | 86% | 0.856 | 71% | 0.71 | S | S | * | * | | | trans | 13.6 | 61.4 | 157.1 | -157.4 | -5.6 | 0 | 0 | 0 | 115.4 | T31 | N29-T31 PolarHBondContact O-N 3.28Š|
| 30 | D | 54.7 | Low | 62.1 | Low | 91 Ų | 91 | 142.6 Ų | 142.6 | 49% | 0.487 | 71% | 0.713 | S | S | . | * | | | trans | -84.7 | 107.6 | -179.4 | -166.4 | 12.1 | 0 | 0 | 0 | 106.1 | T28 R32 | T28-D30 PolarHBondContact O-N 3.48Å; D30-R32 PolarHBondContact O-N 3.44Å |
| 31 | T | 53.3 | Low | 62.3 | Low | 117 Ų | 117 | 141 Ų | 141 | 72% | 0.718 | 71% | 0.713 | S | S | * | * | | | trans | -68.8 | 80.6 | 178.1 | -51.1 | 0 | 0 | 0 | 0 | 106.5 | N29 K33 | N29-T31 PolarHBondContact O-N 3.28Å; T31-K33 PolarHBondContact O-N 3.24Å |
| 32 | R | 60.1 | Low | 62.7 | Low | 166 Ų | 166 | 140.2 Ų | 140.2 | 63% | 0.626 | 72% | 0.718 | S | S | * | * | | | trans | -52.4 | 107.6 | 178.2 | -69.2 | -176.5 | -173.1 | -178.3 | 1.7 | 107.2 | D30 | D30-R32 PolarHBondContact O-N 3.44Š|
| 33 | K | 62.9 | Low | 63 | Low | 192 Ų | 192 | 137.7 Ų | 137.7 | 84% | 0.835 | 71% | 0.712 | S | S | * | * | | | trans | -51.9 | 134.4 | 166.9 | -72.6 | -173.5 | 178.2 | -176.2 | 0 | 106.6 | T31 Y35 | T31-K33 PolarHBondContact O-N 3.24Å; K33-Y35 PolarHBondContact O-N 2.9Å |
| 34 | P | 66.1 | Low | 63.7 | Low | 110 Ų | 110 | 132.6 Ų | 132.6 | 71% | 0.714 | 71% | 0.71 | S | S | * | * | | | trans | -54.4 | 130.3 | 177.4 | 22.6 | -31.1 | 0 | 0 | 0 | 108 | E36 | P34-E36 PolarHBondContact O-N 3.44Š|
| 35 | Y | 68.5 | Low | 64.3 | Low | 153 Ų | 153 | 136.1 Ų | 136.1 | 60% | 0.6 | 73% | 0.734 | S | S | * | * | | | trans | -55.6 | 108.6 | 175.4 | -179.4 | -91 | 0 | 0 | 0 | 108.3 | K33 Q37 | K33-Y35 PolarHBondContact O-N 2.9Å; Y35-Q37 HydrophobicContact CD1-CG 4.18Å; Y35-Q37 HydrophobicContact CE1-CG 4.18Å; Y35-Q37 PolarHBondContact O-N 3.25Å |
| 36 | E | 68.7 | Low | 65.1 | Low | 176 Ų | 176 | 134.7 Ų | 134.7 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | | | trans | -75.9 | 115.7 | 173.2 | -71.3 | -174.2 | 174.5 | 0 | 0 | 108 | P34 | P34-E36 PolarHBondContact O-N 3.44Š|
| 37 | Q | 70 | Confident | 65.5 | Low | 163 Ų | 163 | 134.4 Ų | 134.4 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | | | trans | -67.1 | 135.3 | 174.4 | -69.4 | -178.4 | -11.1 | 0 | 0 | 109.5 | Y35 I39 | Y35-Q37 HydrophobicContact CD1-CG 4.18Å; Y35-Q37 HydrophobicContact CE1-CG 4.18Å; Y35-Q37 PolarHBondContact O-N 3.25Å; Q37-I39 PolarHBondContact O-N 3.11Å |
| 38 | P | 71.6 | Confident | 66.3 | Low | 101 Ų | 101 | 132.4 Ų | 132.4 | 66% | 0.656 | 73% | 0.732 | S | S | * | * | | | trans | -65.5 | 128.3 | 177.1 | 26.1 | -32.1 | 0 | 0 | 0 | 110.1 | V40 | P38-V40 PolarHBondContact O-N 3.07Š|
| 39 | I | 76.5 | Confident | 66.6 | Low | 155 Ų | 155 | 132.6 Ų | 132.6 | 80% | 0.795 | 74% | 0.735 | S | S | * | * | | | trans | -72.8 | 111.6 | 171.6 | -60.5 | 172.4 | 0 | 0 | 0 | 107.6 | Q37 L41 | Q37-I39 PolarHBondContact O-N 3.11Å; I39-L41 HydrophobicContact CG2-CD1 4.44Å |
| 40 | V | 74.6 | Confident | 67.3 | Low | 113 Ų | 113 | 130.3 Ų | 130.3 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | | | trans | -88.2 | 111 | 172.2 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | P38 V42 | P38-V40 PolarHBondContact O-N 3.07Å; V40-V42 PolarHBondContact O-N 3.08Å; V40-V42 HydrophobicContact CG1-CG2 4.43Å |
| 41 | L | 71 | Confident | 67.5 | Low | 165 Ų | 165 | 134.3 Ų | 134.3 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | | | trans | -76.7 | 111.1 | 169.9 | -126.9 | 86.3 | 0 | 0 | 0 | 108.7 | I39 | I39-L41 HydrophobicContact CG2-CD1 4.44Š|
| 42 | V | 73.4 | Confident | 67.7 | Low | 137 Ų | 137 | 136.7 Ų | 136.7 | 83% | 0.83 | 75% | 0.754 | S | S | * | * | | | trans | -101 | 121.3 | 170.6 | -136 | 0 | 0 | 0 | 0 | 107.4 | V40 | V40-V42 PolarHBondContact O-N 3.08Å; V40-V42 HydrophobicContact CG1-CG2 4.43Å |
| 43 | G | 72.9 | Confident | 67.8 | Low | 53 Ų | 53 | 133.3 Ų | 133.3 | 55% | 0.546 | 76% | 0.756 | S | S | . | * | | | trans | -133.5 | 162 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | T45 | G43-T45 PolarHBondContact O-N 3.15Š|
| 44 | P | 73.7 | Confident | 67.3 | Low | 132 Ų | 132 | 129.4 Ų | 129.4 | 86% | 0.857 | 75% | 0.75 | S | S | * | * | | | trans | -59.4 | 126.7 | 177 | 25.6 | -32.9 | 0 | 0 | 0 | 109.5 | S46 | P44-S46 PolarHBondContact O-N 3.25Å; P44-S46 VanDerWaalsContact O-N 3.15Å |
| 45 | T | 71.4 | Confident | 66.8 | Low | 137 Ų | 137 | 134 Ų | 134 | 84% | 0.84 | 76% | 0.759 | S | S | * | * | | | trans | -69.4 | 111.1 | 167 | -52.1 | 0 | 0 | 0 | 0 | 107.2 | G43 A47 | G43-T45 PolarHBondContact O-N 3.15Å; T45-A47 PolarHBondContact O-N 3.23Å; T45-A47 VanDerWaalsContact O-N 3.08Å |
| 46 | S | 68.3 | Low | 65.9 | Low | 102 Ų | 102 | 135.6 Ų | 135.6 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | | | trans | -63.2 | 111 | 165.9 | -175.9 | 0 | 0 | 0 | 0 | 107.4 | P44 E48 | P44-S46 PolarHBondContact O-N 3.25Å; P44-S46 VanDerWaalsContact O-N 3.15Å; S46-E48 PolarHBondContact O-N 2.91Å |
| 47 | A | 64.4 | Low | 65.1 | Low | 92 Ų | 92 | 140 Ų | 140 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | | | trans | -70.5 | 86.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | T45 | T45-A47 PolarHBondContact O-N 3.23Å; T45-A47 VanDerWaalsContact O-N 3.08Å |
| 48 | E | 67.7 | Low | 64.9 | Low | 161 Ų | 161 | 138.8 Ų | 138.8 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | | | trans | -60.9 | 130.6 | 161 | -96.8 | -153.3 | 114.2 | 0 | 0 | 107.4 | S46 S50 | S46-E48 PolarHBondContact O-N 2.91Å; E48-S50 PolarHBondContact O-N 2.85Å |
| 49 | P | 58.7 | Low | 64.5 | Low | 109 Ų | 109 | 140.8 Ų | 140.8 | 71% | 0.708 | 80% | 0.801 | S | S | * | * | | | trans | -59.7 | 112 | 165.5 | 25.5 | -29.3 | 0 | 0 | 0 | 105.8 | Q51 | P49-Q51 PolarHBondContact O-N 2.92Š|
| 50 | S | 64.1 | Low | 63.8 | Low | 111 Ų | 111 | 140 Ų | 140 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | trans | -52.7 | 109.3 | 166.8 | -76 | 0 | 0 | 0 | 0 | 105.9 | E48 L52 | E48-S50 PolarHBondContact O-N 2.85Å; S50-L52 PolarHBondContact O-N 2.75Å |
| 51 | Q | 60.6 | Low | 63.2 | Low | 176 Ų | 176 | 141.6 Ų | 141.6 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | | | trans | -60.9 | 95.9 | 175.2 | -75.6 | -159.2 | 59.5 | 0 | 0 | 107 | P49 S53 | P49-Q51 PolarHBondContact O-N 2.92Å; Q51-S53 PolarHBondContact O-N 2.93Å |
| 52 | L | 55.7 | Low | 62.7 | Low | 167 Ų | 167 | 140.1 Ų | 140.1 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | | | trans | -72.6 | 84.6 | 167.9 | -145.4 | 95.6 | 0 | 0 | 0 | 105.3 | S50 P54 | S50-L52 PolarHBondContact O-N 2.75Å; L52-P54 WeakPolarHBondContact O-CD 3.36Å |
| 53 | S | 62.6 | Low | 62 | Low | 94 Ų | 94 | 140.3 Ų | 140.3 | 66% | 0.657 | 80% | 0.803 | S | S | * | * | | | trans | -56.3 | 121 | 172.6 | -65.6 | 0 | 0 | 0 | 0 | 108.5 | Q51 K55 | Q51-S53 PolarHBondContact O-N 2.93Å; S53-K55 PolarHBondContact O-N 3.19Å |
| 54 | P | 53 | Low | 61.2 | Low | 111 Ų | 111 | 146.6 Ų | 146.6 | 72% | 0.721 | 82% | 0.821 | S | S | * | * | | | trans | -70.7 | 117.3 | 171.9 | 26.1 | -25.4 | 0 | 0 | 0 | 107.2 | L52 H56 | L52-P54 WeakPolarHBondContact O-CD 3.36Å; P54-H56 PolarHBondContact O-N 3.04Å |
| 55 | K | 55.7 | Low | 60.3 | Low | 206 Ų | 206 | 147.7 Ų | 147.7 | 90% | 0.896 | 82% | 0.818 | S | S | * | * | | | trans | -62 | 108.3 | 164.6 | -80 | -166.7 | 176 | -176.3 | 0 | 107.5 | S53 Q57 | S53-K55 PolarHBondContact O-N 3.19Å; K55-Q57 PolarHBondContact O-N 3.39Å |
| 56 | H | 50 | Low | 59.3 | Low | 186 Ų | 186 | 148.6 Ų | 148.6 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | | | trans | -61.2 | 123.1 | 160.8 | -101 | 48.3 | 0 | 0 | 0 | 108.4 | P54 | P54-H56 PolarHBondContact O-N 3.04Š|
| 57 | Q | 51.2 | Low | 58.5 | Low | 268 Ų | 268 | 152.8 Ų | 152.8 | 100% | 1.252 | 83% | 0.826 | S | S | * | * | | | trans | -127.3 | 0 | 154.6 | -111.6 | -171.4 | -2.4 | 0 | 0 | 107.3 | K55 | K55-Q57 PolarHBondContact O-N 3.39Š|