| 1 | M | 46 | Very low | 52.9 | Low | 229 Ų | 229 | 167.5 Ų | 167.5 | 100% | 1.128 | 81% | 0.811 | S | S | * | * | | | | 0 | 86.1 | 0 | -63.7 | -57.7 | -143.3 | 0 | 0 | 108.5 | | |
| 2 | Y | 43.4 | Very low | 53 | Low | 231 Ų | 231 | 159.8 Ų | 159.8 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | | | trans | -86.2 | 121.6 | -175.4 | -44.8 | -82 | 0 | 0 | 0 | 109.3 | A4 | Y2-A4 PolarHBondContact O-N 3.2Š|
| 3 | R | 48.2 | Very low | 53.3 | Low | 219 Ų | 219 | 153.2 Ų | 153.2 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | | | trans | -71 | 104.7 | 178.7 | -178.1 | 177.1 | -177 | 136.5 | -3.1 | 108.8 | Q5 | R3-Q5 PolarHBondContact O-N 3.28Š|
| 4 | A | 54.9 | Low | 53.8 | Low | 76 Ų | 76 | 145.7 Ų | 145.7 | 63% | 0.628 | 78% | 0.782 | S | S | * | * | | | trans | -64.8 | 119.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y2 | Y2-A4 PolarHBondContact O-N 3.2Š|
| 5 | Q | 58.5 | Low | 54.4 | Low | 160 Ų | 160 | 145 Ų | 145 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | | | trans | 51.4 | 82.2 | 131.4 | -50 | 178.4 | 40.4 | 0 | 0 | 116.4 | R3 L7 | R3-Q5 PolarHBondContact O-N 3.28Å; Q5-L7 PolarHBondContact O-N 3.35Å |
| 6 | Q | 55.7 | Low | 55.1 | Low | 173 Ų | 173 | 142.6 Ų | 142.6 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | | | trans | -87.8 | 62.7 | 147.8 | -80.8 | -177.5 | -69.2 | 0 | 0 | 108.9 | R8 | Q6-R8 VanDerWaalsContact C-N 3.26Å; Q6-R8 PolarHBondContact O-N 3.05Å |
| 7 | L | 56.7 | Low | 55.9 | Low | 147 Ų | 147 | 142.2 Ų | 142.2 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | trans | -71.9 | 98.4 | 155.4 | -76.6 | 165 | 0 | 0 | 0 | 105.2 | Q5 S9 | Q5-L7 PolarHBondContact O-N 3.35Å; L7-S9 PolarHBondContact O-N 2.87Å |
| 8 | R | 54.4 | Low | 56.3 | Low | 214 Ų | 214 | 137.9 Ų | 137.9 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | | | trans | -48.6 | 106.1 | 171.2 | -175.6 | 84.9 | -174.6 | -154.5 | 3.2 | 106.7 | Q6 H10 | Q6-R8 VanDerWaalsContact C-N 3.26Å; Q6-R8 PolarHBondContact O-N 3.05Å; R8-H10 PolarHBondContact O-N 2.89Å |
| 9 | S | 53.7 | Low | 57.1 | Low | 103 Ų | 103 | 134.5 Ų | 134.5 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | | | trans | -56.5 | 104.5 | 167.9 | 49.5 | 0 | 0 | 0 | 0 | 106.9 | L7 P11 | L7-S9 PolarHBondContact O-N 2.87Å; S9-P11 WeakPolarHBondContact O-CD 3.46Å |
| 10 | H | 59.5 | Low | 57.7 | Low | 167 Ų | 167 | 134.5 Ų | 134.5 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | trans | -56.8 | 123.1 | 164 | -59.6 | -76.6 | 0 | 0 | 0 | 105.5 | R8 G12 | R8-H10 PolarHBondContact O-N 2.89Å; H10-G12 VanDerWaalsContact C-N 3.32Å; H10-G12 PolarHBondContact O-N 3.09Å |
| 11 | P | 51.1 | Low | 58.5 | Low | 124 Ų | 124 | 132.2 Ų | 132.2 | 81% | 0.805 | 76% | 0.762 | S | S | * | * | | | trans | -61.8 | 105.1 | 173.7 | 24.9 | -30.3 | 0 | 0 | 0 | 106.3 | S9 G13 | S9-P11 WeakPolarHBondContact O-CD 3.46Å; P11-G13 PolarHBondContact O-N 2.68Å |
| 12 | G | 54.6 | Low | 59.9 | Low | 74 Ų | 74 | 129.4 Ų | 129.4 | 76% | 0.763 | 74% | 0.739 | S | S | * | * | | | trans | -54.7 | 109.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | H10 G14 | H10-G12 VanDerWaalsContact C-N 3.32Å; H10-G12 PolarHBondContact O-N 3.09Å; G12-G14 PolarHBondContact O-N 2.83Å |
| 13 | G | 56.4 | Low | 61.7 | Low | 75 Ų | 75 | 126.6 Ų | 126.6 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | | | trans | -56 | 110 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108 | P11 | P11-G13 PolarHBondContact O-N 2.68Š|
| 14 | G | 60.7 | Low | 63.4 | Low | 48 Ų | 48 | 120.5 Ų | 120.5 | 50% | 0.495 | 72% | 0.717 | S | S | . | * | | | trans | -57.2 | 161.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | G12 T16 | G12-G14 PolarHBondContact O-N 2.83Å; G14-T16 PolarHBondContact O-N 3.11Å |
| 15 | P | 62 | Low | 64.9 | Low | 135 Ų | 135 | 121.5 Ų | 121.5 | 88% | 0.877 | 72% | 0.715 | S | S | * | * | | | trans | -56.3 | 108.4 | 179 | 23.4 | -32.3 | 0 | 0 | 0 | 109.4 | V17 | P15-V17 PolarHBondContact O-N 3.09Š|
| 16 | T | 66 | Low | 66.3 | Low | 107 Ų | 107 | 120 Ų | 120 | 66% | 0.656 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 120.2 | 172.9 | 54.5 | 0 | 0 | 0 | 0 | 107.3 | G14 P18 | G14-T16 PolarHBondContact O-N 3.11Å; T16-P18 WeakPolarHBondContact O-CD 3.48Å |
| 17 | V | 68.4 | Low | 67.7 | Low | 135 Ų | 135 | 115.7 Ų | 115.7 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -61 | 124.2 | 172.6 | 179 | 0 | 0 | 0 | 0 | 107.1 | P15 S19 | P15-V17 PolarHBondContact O-N 3.09Å; V17-S19 PolarHBondContact O-N 2.7Å |
| 18 | P | 64 | Low | 69.2 | Low | 65 Ų | 65 | 118.3 Ų | 118.3 | 42% | 0.422 | 72% | 0.721 | S | S | . | * | P | Polyproline II helix | trans | -58.7 | 125.2 | 177.3 | 17.4 | -25.8 | 0 | 0 | 0 | 109.2 | T16 I24 | T16-P18 WeakPolarHBondContact O-CD 3.48Å; P18-I24 HydrophobicContact CB-CD1 3.56Å; P18-I24 HydrophobicContact CB-CG1 4.03Å; P18-I24 HydrophobicContact CG-CD1 3.94Å |
| 19 | S | 71.4 | Confident | 70.7 | Confident | 74 Ų | 74 | 113.4 Ų | 113.4 | 52% | 0.517 | 72% | 0.715 | S | S | . | * | P | Polyproline II helix | trans | -58.6 | 136 | 164 | -160.8 | 0 | 0 | 0 | 0 | 107.9 | V17 G21 R22 | V17-S19 PolarHBondContact O-N 2.7Å; S19-G21 PolarHBondContact O-N 3.11Å; S19-R22 PolarHBondContact O-N 2.82Å |
| 20 | P | 67.9 | Low | 72.3 | Confident | 133 Ų | 133 | 116.2 Ų | 116.2 | 86% | 0.864 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.5 | 120.1 | 179 | 20.2 | -30.7 | 0 | 0 | 0 | 109.5 | | |
| 21 | G | 74.5 | Confident | 73.4 | Confident | 87 Ų | 87 | 113.5 Ų | 113.5 | 90% | 0.897 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 107 | -5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116 | S19 | S19-G21 PolarHBondContact O-N 3.11Š|
| 22 | R | 75.8 | Confident | 74.9 | Confident | 170 Ų | 170 | 114.7 Ų | 114.7 | 64% | 0.642 | 71% | 0.711 | S | S | * | * | | | trans | -103.6 | 109.2 | 169.6 | -70 | -178.4 | 67.2 | -138.1 | -0.8 | 110.5 | S19 I24 | S19-R22 PolarHBondContact O-N 2.82Å; R22-I24 PolarHBondContact O-N 2.83Å |
| 23 | H | 81.8 | Confident | 75.6 | Confident | 172 Ų | 172 | 113.9 Ų | 113.9 | 80% | 0.796 | 70% | 0.702 | S | S | * | * | | | trans | -71.9 | 123 | 173.5 | -172.9 | -162.1 | 0 | 0 | 0 | 109.5 | V25 | H23-V25 VanDerWaalsContact CE1-CG2 3.44Å; H23-V25 WeakPolarHBondContact CE1-CG2 3.2Å |
| 24 | I | 83.1 | Confident | 75.9 | Confident | 92 Ų | 92 | 114.2 Ų | 114.2 | 47% | 0.472 | 71% | 0.706 | S | S | . | * | | | trans | -103.8 | 117.5 | 174.5 | -58.7 | -179.2 | 0 | 0 | 0 | 107.4 | P18 R22 | P18-I24 HydrophobicContact CB-CD1 3.56Å; P18-I24 HydrophobicContact CB-CG1 4.03Å; P18-I24 HydrophobicContact CG-CD1 3.94Å; R22-I24 PolarHBondContact O-N 2.83Å |
| 25 | V | 87.3 | Confident | 75.9 | Confident | 97 Ų | 97 | 116.3 Ų | 116.3 | 59% | 0.588 | 72% | 0.719 | S | S | * | * | | | trans | -109.1 | 124.8 | 176.5 | -178.9 | 0 | 0 | 0 | 0 | 108.2 | H23 A27 | H23-V25 VanDerWaalsContact CE1-CG2 3.44Å; H23-V25 WeakPolarHBondContact CE1-CG2 3.2Å; V25-A27 PolarHBondContact O-N 3.49Å |
| 26 | P | 86.9 | Confident | 75.8 | Confident | 128 Ų | 128 | 116.7 Ų | 116.7 | 83% | 0.831 | 71% | 0.712 | S | S | * | * | | | trans | -59.3 | 131.2 | 172 | -21.9 | 33 | 0 | 0 | 0 | 110.5 | | |
| 27 | A | 85.5 | Confident | 75.4 | Confident | 82 Ų | 82 | 116 Ų | 116 | 68% | 0.678 | 72% | 0.718 | S | S | * | * | | | trans | -125.8 | 138.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | V25 | V25-A27 PolarHBondContact O-N 3.49Š|
| 28 | Q | 88.9 | Confident | 75 | Confident | 202 Ų | 202 | 113.3 Ų | 113.3 | 94% | 0.944 | 71% | 0.705 | S | S | * | * | | | trans | -83.9 | 120.4 | 165.7 | -67.7 | 177.9 | -15.4 | 0 | 0 | 107.4 | | |
| 29 | V | 85.3 | Confident | 74.9 | Confident | 112 Ų | 112 | 118.9 Ų | 118.9 | 68% | 0.679 | 73% | 0.725 | S | S | * | * | | | trans | -107.3 | 127.7 | 175.3 | -62.3 | 0 | 0 | 0 | 0 | 108.2 | V31 | V29-V31 HydrophobicContact CG2-CG1 4.35Å; V29-V31 PolarHBondContact O-N 2.89Å |
| 30 | H | 87.5 | Confident | 74.5 | Confident | 161 Ų | 161 | 123 Ų | 123 | 75% | 0.745 | 73% | 0.729 | S | S | * | * | | | trans | -68.8 | 121.1 | 165.4 | -176.8 | 85 | 0 | 0 | 0 | 107.5 | N32 | H30-N32 PolarHBondContact CD2-OD1 2.88Š|
| 31 | V | 83.5 | Confident | 74.7 | Confident | 111 Ų | 111 | 126.3 Ų | 126.3 | 67% | 0.673 | 73% | 0.733 | S | S | * | * | | | trans | -98.1 | 129.4 | 165.4 | -66 | 0 | 0 | 0 | 0 | 106.9 | V29 G33 | V29-V31 HydrophobicContact CG2-CG1 4.35Å; V29-V31 PolarHBondContact O-N 2.89Å; V31-G33 VanDerWaalsContact C-N 3.26Å; V31-G33 PolarHBondContact O-N 2.95Å |
| 32 | N | 80.8 | Confident | 73.9 | Confident | 149 Ų | 149 | 125.3 Ų | 125.3 | 80% | 0.797 | 71% | 0.71 | S | S | * | * | | | trans | -63.7 | 96.8 | 171.8 | -61.9 | -39.7 | 0 | 0 | 0 | 106.7 | H30 | H30-N32 PolarHBondContact CD2-OD1 2.88Š|
| 33 | G | 69.1 | Low | 74 | Confident | 57 Ų | 57 | 121.5 Ų | 121.5 | 59% | 0.588 | 70% | 0.702 | S | S | * | * | | | trans | -60.5 | 137.5 | 168 | 0 | 0 | 0 | 0 | 0 | 107.4 | V31 A35 | V31-G33 VanDerWaalsContact C-N 3.26Å; V31-G33 PolarHBondContact O-N 2.95Å; G33-A35 PolarHBondContact O-N 2.81Å |
| 34 | G | 63.7 | Low | 73.5 | Confident | 82 Ų | 82 | 119.8 Ų | 119.8 | 85% | 0.845 | 70% | 0.697 | S | S | * | * | | | trans | -67.6 | 56 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L36 | G34-L36 PolarHBondContact O-N 2.81Å; G34-L36 VanDerWaalsContact O-N 3.11Å |
| 35 | A | 60.3 | Low | 73 | Confident | 92 Ų | 92 | 122.1 Ų | 122.1 | 76% | 0.76 | 71% | 0.71 | S | S | * | * | | | trans | -77.7 | 76.3 | 153.3 | 0 | 0 | 0 | 0 | 0 | 105.3 | G33 A37 | G33-A35 PolarHBondContact O-N 2.81Å; A35-A37 PolarHBondContact O-N 2.8Å |
| 36 | L | 59.2 | Low | 72.2 | Confident | 143 Ų | 143 | 123 Ų | 123 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | | | trans | -60.4 | 93.7 | 150.2 | -66.2 | 175.4 | 0 | 0 | 0 | 103.3 | G34 S38 | G34-L36 PolarHBondContact O-N 2.81Å; G34-L36 VanDerWaalsContact O-N 3.11Å; L36-S38 PolarHBondContact O-N 2.95Å |
| 37 | A | 58.7 | Low | 71.5 | Confident | 93 Ų | 93 | 119.4 Ų | 119.4 | 77% | 0.769 | 69% | 0.685 | S | S | * | * | | | trans | -48.7 | 108.5 | 159.3 | 0 | 0 | 0 | 0 | 0 | 103.1 | A35 E39 | A35-A37 PolarHBondContact O-N 2.8Å; A37-E39 PolarHBondContact O-N 2.97Å; A37-E39 VanDerWaalsContact O-N 3.09Å |
| 38 | S | 59.6 | Low | 70.6 | Confident | 78 Ų | 78 | 124.6 Ų | 124.6 | 55% | 0.545 | 70% | 0.696 | S | S | . | * | | | trans | -34.2 | 120.4 | -166.6 | -162.5 | 0 | 0 | 0 | 0 | 108.2 | L36 R40 | L36-S38 PolarHBondContact O-N 2.95Å; S38-R40 WeakPolarHBondContact O-CA 3.33Å; S38-R40 WeakPolarHBondContact O-CB 3.46Å; S38-R40 WeakPolarHBondContact O-CG 3.29Å; S38-R40 PolarHBondContact O-N 2.73Å |
| 39 | E | 61.6 | Low | 69.7 | Low | 181 Ų | 181 | 121.3 Ų | 121.3 | 85% | 0.846 | 68% | 0.684 | S | S | * | * | | | trans | -53.6 | 93.7 | 176.7 | 42.8 | -164.3 | 143.5 | 0 | 0 | 108 | A37 | A37-E39 PolarHBondContact O-N 2.97Å; A37-E39 VanDerWaalsContact O-N 3.09Å |
| 40 | R | 63.6 | Low | 68.8 | Low | 161 Ų | 161 | 121.1 Ų | 121.1 | 61% | 0.608 | 69% | 0.685 | S | S | * | * | | | trans | -101.1 | 110.3 | -167 | -91.8 | 174 | -163.2 | -101.9 | 3.5 | 106.8 | S38 T42 D47 | S38-R40 WeakPolarHBondContact O-CA 3.33Å; S38-R40 WeakPolarHBondContact O-CB 3.46Å; S38-R40 WeakPolarHBondContact O-CG 3.29Å; S38-R40 PolarHBondContact O-N 2.73Å; R40-T42 VanDerWaalsContact O-N 3.09Å; R40-T42 PolarHBondContact O-N 2.87Å; R40-T42 WeakPolarHBondContact CB-OG1 3.49Å; R40-D47 VanDerWaalsContact CD-OD1 3.29Å; R40-D47 WeakPolarHBondContact CD-OD1 3.44Å |
| 41 | E | 71.6 | Confident | 67.5 | Low | 202 Ų | 202 | 121 Ų | 121 | 94% | 0.944 | 69% | 0.688 | S | S | * | * | | | trans | -78.5 | 54.5 | 161.8 | -168 | -176.3 | 162.2 | 0 | 0 | 108.5 | | |
| 42 | T | 59 | Low | 66.5 | Low | 66 Ų | 66 | 123.8 Ų | 123.8 | 41% | 0.405 | 69% | 0.694 | S | S | . | * | S | Bend | trans | -128.2 | 143 | 174.2 | 48.6 | 0 | 0 | 0 | 0 | 108 | R40 D47 | R40-T42 VanDerWaalsContact O-N 3.09Å; R40-T42 PolarHBondContact O-N 2.87Å; R40-T42 WeakPolarHBondContact CB-OG1 3.49Å; T42-D47 PolarHBondContact OG1-OD1 3.48Å |
| 43 | D | 77.8 | Confident | 65.3 | Low | 90 Ų | 90 | 121 Ų | 121 | 48% | 0.481 | 68% | 0.679 | S | S | . | * | | | trans | -58.7 | 147.8 | -177.5 | -174.4 | 21.7 | 0 | 0 | 0 | 109.6 | L45 D46 D47 | D43-L45 PolarHBondContact O-N 2.74Å; D43-D46 PolarHBondContact O-N 3.31Å; D43-D47 PolarHBondContact O-N 3.44Å |
| 44 | I | 71.1 | Confident | 64.8 | Low | 136 Ų | 136 | 122.2 Ų | 122.2 | 70% | 0.697 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -11.2 | -177.6 | 59.7 | 169.6 | 0 | 0 | 0 | 113.2 | | |
| 45 | L | 71.4 | Confident | 64.6 | Low | 142 Ų | 142 | 125.3 Ų | 125.3 | 74% | 0.743 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -18.1 | 177.9 | -55.1 | -177.7 | 0 | 0 | 0 | 113.2 | D43 | D43-L45 PolarHBondContact O-N 2.74Š|
| 46 | D | 70.3 | Confident | 64.4 | Low | 115 Ų | 115 | 126.4 Ų | 126.4 | 62% | 0.615 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -20.1 | 178.1 | -62.8 | -38.2 | 0 | 0 | 0 | 111.9 | D43 E48 | D43-D46 PolarHBondContact O-N 3.31Å; D46-E48 PolarHBondContact O-N 2.95Å; D46-E48 VanDerWaalsContact O-N 3.11Å |
| 47 | D | 73.1 | Confident | 64.2 | Low | 53 Ų | 53 | 123.2 Ų | 123.2 | 28% | 0.283 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -72.2 | 104.4 | 173.5 | -74.6 | -5.6 | 0 | 0 | 0 | 108.5 | R40 T42 D43 L49 | R40-D47 VanDerWaalsContact CD-OD1 3.29Å; R40-D47 WeakPolarHBondContact CD-OD1 3.44Å; T42-D47 PolarHBondContact OG1-OD1 3.48Å; D43-D47 PolarHBondContact O-N 3.44Å; D47-L49 PolarHBondContact O-N 2.84Å |
| 48 | E | 66.4 | Low | 64.3 | Low | 191 Ų | 191 | 121.8 Ų | 121.8 | 89% | 0.893 | 68% | 0.682 | S | S | * | * | | | trans | -51.2 | 103 | 170.4 | -65.2 | -176.1 | -161.4 | 0 | 0 | 108.8 | D46 | D46-E48 PolarHBondContact O-N 2.95Å; D46-E48 VanDerWaalsContact O-N 3.11Å |
| 49 | L | 70.4 | Confident | 64 | Low | 133 Ų | 133 | 123 Ų | 123 | 70% | 0.696 | 69% | 0.691 | S | S | * | * | | | trans | -58 | 130.8 | 174.9 | -64.5 | 178.8 | 0 | 0 | 0 | 106.5 | D47 I51 | D47-L49 PolarHBondContact O-N 2.84Å; L49-I51 PolarHBondContact O-N 3.18Å |
| 50 | P | 66.9 | Low | 63.9 | Low | 107 Ų | 107 | 122.8 Ų | 122.8 | 70% | 0.695 | 69% | 0.692 | S | S | * | * | | | trans | -51.1 | 123 | 170.4 | 22 | -30.4 | 0 | 0 | 0 | 105.8 | Q52 | P50-Q52 VanDerWaalsContact C-N 3.33Å; P50-Q52 PolarHBondContact O-N 2.55Å |
| 51 | I | 59.7 | Low | 63.8 | Low | 158 Ų | 158 | 117.8 Ų | 117.8 | 81% | 0.81 | 69% | 0.691 | S | S | * | * | | | trans | -48.5 | 108.6 | -177.7 | -58.8 | 173.5 | 0 | 0 | 0 | 104.6 | L49 D53 | L49-I51 PolarHBondContact O-N 3.18Å; I51-D53 PolarHBondContact O-N 3Å |
| 52 | Q | 61.3 | Low | 63.4 | Low | 170 Ų | 170 | 114.7 Ų | 114.7 | 79% | 0.794 | 69% | 0.685 | S | S | * | * | | | trans | -72.5 | 79.4 | 172.8 | -61.7 | -165.5 | -50 | 0 | 0 | 103.3 | P50 G54 | P50-Q52 VanDerWaalsContact C-N 3.33Å; P50-Q52 PolarHBondContact O-N 2.55Å; Q52-G54 PolarHBondContact O-N 3.48Å |
| 53 | D | 57.5 | Low | 63.5 | Low | 91 Ų | 91 | 119.7 Ų | 119.7 | 49% | 0.487 | 71% | 0.709 | S | S | . | * | | | trans | -45.5 | 117.6 | 148.9 | 54.2 | -19.5 | 0 | 0 | 0 | 103.5 | I51 Q55 | I51-D53 PolarHBondContact O-N 3Å; D53-Q55 HydrophobicContact CB-CG 4.18Å; D53-Q55 VanDerWaalsContact CG-CD 3.49Å; D53-Q55 PolarHBondContact O-N 3.39Å; D53-Q55 PolarHBondContact OD2-NE2 3.09Å; D53-Q55 PolarHBondContact OD2-OE1 3.07Å |
| 54 | G | 57.2 | Low | 62.3 | Low | 83 Ų | 83 | 120.5 Ų | 120.5 | 86% | 0.856 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -64.5 | 57.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q52 S56 | Q52-G54 PolarHBondContact O-N 3.48Å; G54-S56 VanDerWaalsContact C-N 3.34Å |
| 55 | Q | 58.9 | Low | 61.5 | Low | 146 Ų | 146 | 119.4 Ų | 119.4 | 68% | 0.682 | 73% | 0.726 | S | S | * | * | | | trans | -107.1 | 51.1 | -176.9 | -64 | 178.3 | 7.1 | 0 | 0 | 106.9 | D53 G57 | D53-Q55 HydrophobicContact CB-CG 4.18Å; D53-Q55 VanDerWaalsContact CG-CD 3.49Å; D53-Q55 PolarHBondContact O-N 3.39Å; D53-Q55 PolarHBondContact OD2-NE2 3.09Å; D53-Q55 PolarHBondContact OD2-OE1 3.07Å; Q55-G57 VanDerWaalsContact CA-N 3.3Å; Q55-G57 VanDerWaalsContact O-N 3.09Å; Q55-G57 PolarHBondContact O-N 2.99Å |
| 56 | S | 56.9 | Low | 60.8 | Low | 116 Ų | 116 | 119.6 Ų | 119.6 | 81% | 0.811 | 73% | 0.727 | S | S | * | * | | | trans | -71.2 | 32.3 | 136.1 | -155.3 | 0 | 0 | 0 | 0 | 110 | G54 G58 | G54-S56 VanDerWaalsContact C-N 3.34Å; S56-G58 VanDerWaalsContact C-N 3.28Å; S56-G58 PolarHBondContact O-N 3.45Å |
| 57 | G | 55.8 | Low | 60.1 | Low | 76 Ų | 76 | 120.9 Ų | 120.9 | 78% | 0.784 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 12.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q55 | Q55-G57 VanDerWaalsContact CA-N 3.3Å; Q55-G57 VanDerWaalsContact O-N 3.09Å; Q55-G57 PolarHBondContact O-N 2.99Å |
| 58 | G | 59.3 | Low | 59.2 | Low | 63 Ų | 63 | 122.2 Ų | 122.2 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.8 | 6.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S56 M60 | S56-G58 VanDerWaalsContact C-N 3.28Å; S56-G58 PolarHBondContact O-N 3.45Å; G58-M60 PolarHBondContact O-N 2.86Å |
| 59 | S | 54.8 | Low | 58.1 | Low | 104 Ų | 104 | 118.9 Ų | 118.9 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | trans | -75.6 | 78.4 | 170.8 | -165.3 | 0 | 0 | 0 | 0 | 109.2 | G61 | S59-G61 VanDerWaalsContact C-N 3.33Å; S59-G61 PolarHBondContact O-N 3.38Å |
| 60 | M | 59.7 | Low | 57 | Low | 175 Ų | 175 | 118.6 Ų | 118.6 | 86% | 0.862 | 76% | 0.757 | S | S | * | * | | | trans | -69.9 | 97.1 | 164.2 | -71 | -70.8 | -77.7 | 0 | 0 | 106.3 | G58 T62 | G58-M60 PolarHBondContact O-N 2.86Å; M60-T62 PolarHBondContact O-N 3.05Å |
| 61 | G | 61.4 | Low | 55.9 | Low | 57 Ų | 57 | 120.8 Ų | 120.8 | 59% | 0.588 | 76% | 0.763 | S | S | * | * | | | trans | -46.2 | 135.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S59 L63 | S59-G61 VanDerWaalsContact C-N 3.33Å; S59-G61 PolarHBondContact O-N 3.38Å; G61-L63 PolarHBondContact O-N 3.24Å |
| 62 | T | 62.8 | Low | 55.1 | Low | 136 Ų | 136 | 119.3 Ų | 119.3 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | | | trans | -67.8 | 119.9 | 172 | 56 | 0 | 0 | 0 | 0 | 107.9 | M60 S64 | M60-T62 PolarHBondContact O-N 3.05Å; T62-S64 PolarHBondContact O-N 3.38Å |
| 63 | L | 61.6 | Low | 54.7 | Low | 171 Ų | 171 | 116.2 Ų | 116.2 | 90% | 0.895 | 76% | 0.758 | S | S | * | * | | | trans | -69.1 | 67.7 | 179.1 | -63.4 | 175.9 | 0 | 0 | 0 | 112 | G61 S65 | G61-L63 PolarHBondContact O-N 3.24Å; L63-S65 VanDerWaalsContact C-N 3.32Å; L63-S65 PolarHBondContact O-N 2.77Å |
| 64 | S | 51.3 | Low | 54.6 | Low | 107 Ų | 107 | 121 Ų | 121 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | trans | -92 | 75.6 | 160.3 | -165.6 | 0 | 0 | 0 | 0 | 107.9 | T62 L66 | T62-S64 PolarHBondContact O-N 3.38Å; S64-L66 PolarHBondContact O-N 3.05Å |
| 65 | S | 55.4 | Low | 53.9 | Low | 114 Ų | 114 | 123 Ų | 123 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | -66 | 103.2 | 164.6 | -70 | 0 | 0 | 0 | 0 | 108.9 | L63 | L63-S65 VanDerWaalsContact C-N 3.32Å; L63-S65 PolarHBondContact O-N 2.77Å |
| 66 | L | 57.3 | Low | 53.1 | Low | 145 Ų | 145 | 118.8 Ų | 118.8 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | | | trans | -143.5 | 101.3 | 143 | -166.6 | 62.1 | 0 | 0 | 0 | 108.7 | S64 | S64-L66 PolarHBondContact O-N 3.05Š|
| 67 | D | 53.8 | Low | 52.2 | Low | 142 Ų | 142 | 123.9 Ų | 123.9 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | | | trans | 65.5 | 94.6 | 158.7 | -51.6 | -29.2 | 0 | 0 | 0 | 120.4 | | |
| 68 | G | 54.5 | Low | 51.7 | Low | 81 Ų | 81 | 124.8 Ų | 124.8 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | | | trans | 33 | 104.2 | 141.4 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 69 | V | 44.1 | Very low | 51.5 | Low | 121 Ų | 121 | 130.8 Ų | 130.8 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | | | trans | -126.7 | 110.3 | 149.6 | 171.9 | 0 | 0 | 0 | 0 | 108.9 | N71 | V69-N71 PolarHBondContact O-N 3.13Š|
| 70 | T | 46.4 | Very low | 51.2 | Low | 128 Ų | 128 | 130.5 Ų | 130.5 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | -78 | 98.3 | 168.1 | 52.5 | 0 | 0 | 0 | 0 | 108.5 | T72 | T70-T72 PolarHBondContact O-N 2.88Š|
| 71 | N | 44.1 | Very low | 50.7 | Low | 153 Ų | 153 | 130.1 Ų | 130.1 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -82.2 | 94.1 | 164 | -86.4 | -42.6 | 0 | 0 | 0 | 108.1 | V69 S73 | V69-N71 PolarHBondContact O-N 3.13Å; N71-S73 PolarHBondContact O-N 3.32Å; N71-S73 VanDerWaalsContact O-N 3.13Å |
| 72 | T | 42.3 | Very low | 50 | Low | 127 Ų | 127 | 132.9 Ų | 132.9 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | trans | -66.4 | 107 | 164.5 | 49.4 | 0 | 0 | 0 | 0 | 108 | T70 | T70-T72 PolarHBondContact O-N 2.88Š|
| 73 | S | 53.5 | Low | 49.3 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | trans | -41.3 | 140.8 | 163 | 50.3 | 0 | 0 | 0 | 0 | 113.2 | N71 | N71-S73 PolarHBondContact O-N 3.32Å; N71-S73 VanDerWaalsContact O-N 3.13Å |
| 74 | E | 54.9 | Low | 49 | Very low | 192 Ų | 192 | 132.1 Ų | 132.1 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | | | trans | 55.2 | 101.3 | 135.7 | -169 | 167.5 | 93.1 | 0 | 0 | 117.8 | | |
| 75 | S | 43 | Very low | 48.9 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | | | trans | -148.7 | 115.4 | 145 | -174.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 76 | G | 42 | Very low | 48.4 | Very low | 58 Ų | 58 | 134.8 Ų | 134.8 | 60% | 0.598 | 78% | 0.784 | S | S | * | * | | | trans | -59.5 | 155.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | P78 | G76-P78 WeakPolarHBondContact O-CD 3.2Š|
| 77 | Y | 39.2 | Very low | 47.8 | Very low | 222 Ų | 222 | 131.3 Ų | 131.3 | 87% | 0.871 | 78% | 0.784 | S | S | * | * | | | trans | -58.9 | 130.9 | 165.1 | -66.2 | -83.1 | 0 | 0 | 0 | 109.8 | | |
| 78 | P | 44.6 | Very low | 47.3 | Very low | 96 Ų | 96 | 136.8 Ų | 136.8 | 62% | 0.623 | 81% | 0.812 | S | S | * | * | | | | -119.1 | 110.6 | 119.4 | 30.9 | -28.2 | 0 | 0 | 0 | 110.7 | G76 T80 | G76-P78 WeakPolarHBondContact O-CD 3.2Å; P78-T80 HydrophobicContact CB-CG2 3.8Å; P78-T80 PolarHBondContact O-N 3.23Å |
| 79 | E | 54.6 | Low | 46.9 | Very low | 189 Ų | 189 | 139.6 Ų | 139.6 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | | | trans | -66.1 | 76.1 | 154.8 | -90.6 | -171.9 | 79.5 | 0 | 0 | 108.5 | | |
| 80 | T | 48 | Very low | 47.1 | Very low | 98 Ų | 98 | 140.5 Ų | 140.5 | 60% | 0.601 | 82% | 0.815 | S | S | * | * | | | trans | -114.4 | 105 | 175 | 53.7 | 0 | 0 | 0 | 0 | 110.6 | P78 | P78-T80 HydrophobicContact CB-CG2 3.8Å; P78-T80 PolarHBondContact O-N 3.23Å |
| 81 | L | 50.2 | Low | 47.1 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | | | trans | 73.3 | 102.5 | 140.4 | -53.1 | 173.5 | 0 | 0 | 0 | 118.1 | | |
| 82 | S | 46.5 | Very low | 47.3 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | -42.8 | 162.7 | 159.7 | -30.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 83 | P | 47.6 | Very low | 47.6 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | | | | -149.8 | 168 | 79.7 | 35.3 | -14.2 | 0 | 0 | 0 | 116.9 | | |
| 84 | L | 56 | Low | 47.2 | Very low | 169 Ų | 169 | 143.8 Ų | 143.8 | 89% | 0.885 | 82% | 0.824 | S | S | * | * | | | trans | -37.8 | 141.6 | 171 | -79.4 | 73.1 | 0 | 0 | 0 | 115.2 | | |
| 85 | T | 50.1 | Low | 46.7 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 75% | 0.748 | 82% | 0.819 | S | S | * | * | | | trans | -169.1 | 113.1 | 136.9 | 178.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 86 | N | 43 | Very low | 47 | Very low | 155 Ų | 155 | 141.6 Ų | 141.6 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | | | trans | 38.4 | 120.5 | 140.7 | -59.7 | -18.3 | 0 | 0 | 0 | 122.8 | | |
| 87 | G | 44.9 | Very low | 47.4 | Very low | 73 Ų | 73 | 148.6 Ų | 148.6 | 75% | 0.753 | 83% | 0.833 | S | S | * | * | | | | 84 | 114.7 | 106 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 88 | L | 43.8 | Very low | 48.1 | Very low | 256 Ų | 256 | 141.9 Ų | 141.9 | 100% | 1.34 | 83% | 0.83 | S | S | * | * | | | | -173.5 | 0 | 106.8 | -89.1 | 175.6 | 0 | 0 | 0 | 110.3 | | |