| 1 | M | 51.4 | Low | 63.8 | Low | 243 Ų | 243 | 156.5 Ų | 156.5 | 100% | 1.197 | 81% | 0.806 | S | S | * | * | | | | 0 | 105.6 | 0 | -161.3 | 169.5 | -166 | 0 | 0 | 106.9 | | |
| 2 | I | 65 | Low | 63.2 | Low | 161 Ų | 161 | 159.3 Ų | 159.3 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | | | trans | -128.2 | 112 | -179.4 | -61 | 170.7 | 0 | 0 | 0 | 106.7 | Q4 | I2-Q4 PolarHBondContact O-N 3.18Š|
| 3 | S | 60.2 | Low | 62.5 | Low | 110 Ų | 110 | 154.8 Ų | 154.8 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | | | trans | -77.2 | 115.3 | 174.6 | -67.9 | 0 | 0 | 0 | 0 | 109.3 | V5 | S3-V5 PolarHBondContact O-N 3.47Š|
| 4 | Q | 72.4 | Confident | 62.3 | Low | 185 Ų | 185 | 157.9 Ų | 157.9 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | | | trans | -74.9 | 111.2 | 168.8 | -67.5 | -101 | 1.9 | 0 | 0 | 107.8 | I2 Q6 | I2-Q4 PolarHBondContact O-N 3.18Å; Q4-Q6 PolarHBondContact O-N 3.36Å |
| 5 | V | 73.1 | Confident | 62.6 | Low | 126 Ų | 126 | 159.8 Ų | 159.8 | 76% | 0.764 | 81% | 0.807 | S | S | * | * | | | trans | -75.7 | 101.1 | 169.1 | -179.7 | 0 | 0 | 0 | 0 | 107.1 | S3 V7 | S3-V5 PolarHBondContact O-N 3.47Å; V5-V7 PolarHBondContact O-N 3.09Å; V5-V7 VanDerWaalsContact O-N 3.09Å |
| 6 | Q | 70.3 | Confident | 63.1 | Low | 183 Ų | 183 | 157.1 Ų | 157.1 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | | | trans | -71.1 | 101.9 | 173.4 | -177.9 | 149.8 | -52.3 | 0 | 0 | 109.1 | Q4 N8 | Q4-Q6 PolarHBondContact O-N 3.36Å; Q6-N8 PolarHBondContact O-N 3.19Å |
| 7 | V | 69.9 | Low | 63.6 | Low | 122 Ų | 122 | 152.8 Ų | 152.8 | 74% | 0.739 | 80% | 0.797 | S | S | * | * | | | trans | -69.7 | 113 | 173.1 | -173.4 | 0 | 0 | 0 | 0 | 107.9 | V5 K9 | V5-V7 PolarHBondContact O-N 3.09Å; V5-V7 VanDerWaalsContact O-N 3.09Å; V7-K9 PolarHBondContact O-N 3.19Å |
| 8 | N | 60.4 | Low | 64 | Low | 99 Ų | 99 | 152.5 Ų | 152.5 | 53% | 0.529 | 80% | 0.796 | S | S | . | * | | | trans | -62.8 | 113.9 | 179.7 | -168.8 | -12.9 | 0 | 0 | 0 | 110 | Q6 D10 | Q6-N8 PolarHBondContact O-N 3.19Å; N8-D10 PolarHBondContact O-N 3.1Å; N8-D10 WeakPolarHBondContact OD1-CB 3.33Å; N8-D10 PolarHBondContact OD1-N 3.03Å; N8-D10 VanDerWaalsContact OD1-N 3.1Å; N8-D10 PolarHBondContact OD1-OD2 3.22Å |
| 9 | K | 62.4 | Low | 64.5 | Low | 192 Ų | 192 | 154.5 Ų | 154.5 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | G | 310 helix | trans | -69.3 | -7 | 179.3 | -74.9 | 179.8 | 177.6 | 175.2 | 0 | 113.2 | V7 Q11 | V7-K9 PolarHBondContact O-N 3.19Å; K9-Q11 VanDerWaalsContact C-N 3.34Å; K9-Q11 PolarHBondContact O-N 3.5Å |
| 10 | D | 60.6 | Low | 65.2 | Low | 120 Ų | 120 | 153.8 Ų | 153.8 | 64% | 0.642 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -81.8 | -6 | -176.8 | -63.9 | -48.6 | 0 | 0 | 0 | 114.5 | N8 T13 | N8-D10 PolarHBondContact O-N 3.1Å; N8-D10 WeakPolarHBondContact OD1-CB 3.33Å; N8-D10 PolarHBondContact OD1-N 3.03Å; N8-D10 VanDerWaalsContact OD1-N 3.1Å; N8-D10 PolarHBondContact OD1-OD2 3.22Å; D10-T13 PolarHBondContact O-OG1 3.45Å |
| 11 | Q | 56.1 | Low | 66 | Low | 181 Ų | 181 | 150.8 Ų | 150.8 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -87.5 | 1.5 | 177.2 | -75.1 | -145.7 | 79.9 | 0 | 0 | 115 | K9 T13 | K9-Q11 VanDerWaalsContact C-N 3.34Å; K9-Q11 PolarHBondContact O-N 3.5Å; Q11-T13 VanDerWaalsContact C-N 3.31Å; Q11-T13 PolarHBondContact O-N 3.45Å |
| 12 | Q | 56.5 | Low | 67.2 | Low | 190 Ų | 190 | 141.6 Ų | 141.6 | 89% | 0.888 | 74% | 0.735 | S | S | * | * | | | trans | -94.5 | 25.5 | 177.5 | -129.6 | 179.5 | 21.6 | 0 | 0 | 113.6 | | |
| 13 | T | 54.2 | Low | 68.1 | Low | 100 Ų | 100 | 143 Ų | 143 | 61% | 0.613 | 74% | 0.743 | S | S | * | * | | | trans | -100.1 | 127.2 | 176 | 56.8 | 0 | 0 | 0 | 0 | 110.9 | D10 Q11 | D10-T13 PolarHBondContact O-OG1 3.45Å; Q11-T13 VanDerWaalsContact C-N 3.31Å; Q11-T13 PolarHBondContact O-N 3.45Å |
| 14 | K | 60.3 | Low | 69.2 | Low | 198 Ų | 198 | 144.8 Ų | 144.8 | 86% | 0.861 | 74% | 0.743 | S | S | * | * | | | trans | 104.7 | 23.1 | 162.5 | -51.5 | -177.2 | -174.4 | -172.6 | 0 | 119.1 | | |
| 15 | Q | 65.7 | Low | 69.5 | Low | 187 Ų | 187 | 138.5 Ų | 138.5 | 87% | 0.874 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 129.4 | 155.7 | -70.1 | -159.5 | 11.4 | 0 | 0 | 109.7 | A17 | Q15-A17 PolarHBondContact O-N 3.25Š|
| 16 | P | 71 | Confident | 69.8 | Low | 117 Ų | 117 | 138.3 Ų | 138.3 | 76% | 0.76 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 130.4 | 172.5 | 25.2 | -30.7 | 0 | 0 | 0 | 108.7 | L18 | P16-L18 PolarHBondContact O-N 2.98Š|
| 17 | A | 71.2 | Confident | 70.2 | Confident | 84 Ų | 84 | 134.5 Ų | 134.5 | 69% | 0.694 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 127.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q15 K19 | Q15-A17 PolarHBondContact O-N 3.25Å; A17-K19 PolarHBondContact O-N 2.63Å; A17-K19 VanDerWaalsContact O-N 3.14Å |
| 18 | L | 71.4 | Confident | 70.4 | Confident | 147 Ų | 147 | 133.2 Ų | 133.2 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 119.6 | 170 | -100.7 | 93.2 | 0 | 0 | 0 | 108.5 | P16 F20 | P16-L18 PolarHBondContact O-N 2.98Å; L18-F20 HydrophobicContact CD2-CZ 4.43Å |
| 19 | K | 73.5 | Confident | 71 | Confident | 191 Ų | 191 | 134.7 Ų | 134.7 | 83% | 0.83 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 121.4 | 172 | -63.3 | -175.5 | -177.8 | -178.6 | 0 | 108.1 | A17 | A17-K19 PolarHBondContact O-N 2.63Å; A17-K19 VanDerWaalsContact O-N 3.14Å |
| 20 | F | 79 | Confident | 71.2 | Confident | 140 Ų | 140 | 130.6 Ų | 130.6 | 61% | 0.614 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 138.1 | 172.4 | -64.4 | -86 | 0 | 0 | 0 | 109.5 | L18 L28 | L18-F20 HydrophobicContact CD2-CZ 4.43Å; F20-L28 HydrophobicContact CB-CB 3.73Å; F20-L28 PolarHBondContact O-N 2.63Å; F20-L28 WeakPolarHBondContact O-CB 3.15Å; F20-L28 VanDerWaalsContact O-CB 3.29Å; F20-L28 HydrophobicContact CG-CD2 4.28Å; F20-L28 HydrophobicContact CB-CG 4.31Å; F20-L28 HydrophobicContact CB-CD2 3.6Å |
| 21 | T | 82 | Confident | 71.3 | Confident | 90 Ų | 90 | 130.8 Ų | 130.8 | 55% | 0.552 | 71% | 0.71 | S | S | * | * | B | Isolated β-bridge | trans | -122.6 | 154.1 | 174.3 | 53.5 | 0 | 0 | 0 | 0 | 110.3 | Q26 | T21-Q26 CarbonylContact C-O 3.41Å; T21-Q26 WeakPolarHBondContact CA-O 3.29Å; T21-Q26 WeakPolarHBondContact CB-O 3.42Å |
| 22 | T | 76.3 | Confident | 71.6 | Confident | 50 Ų | 50 | 127.7 Ų | 127.7 | 31% | 0.307 | 70% | 0.704 | S | S | . | * | | | trans | -70.4 | 166.7 | 169.5 | 69.4 | 0 | 0 | 0 | 0 | 110.1 | L24 G25 Q26 L28 | T22-L24 PolarHBondContact O-N 3.47Å; T22-L24 VanDerWaalsContact O-N 3.09Å; T22-L24 PolarHBondContact OG1-N 3.37Å; T22-G25 PolarHBondContact O-N 2.8Å; T22-Q26 HydrophobicContact CG2-CB 4.39Å; T22-Q26 PolarHBondContact N-O 3.25Å; T22-Q26 WeakPolarHBondContact OG1-CB 3.36Å; T22-Q26 PolarHBondContact OG1-N 3.11Å; T22-Q26 PolarHBondContact OG1-O 3.03Å; T22-L28 HydrophobicContact CG2-CD1 4.4Å |
| 23 | L | 83.2 | Confident | 71.6 | Confident | 190 Ų | 190 | 125.3 Ų | 125.3 | 100% | 0.995 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | -23.2 | 173.7 | -68.2 | 172 | 0 | 0 | 0 | 113.2 | G25 | L23-G25 VanDerWaalsContact C-N 3.29Š|
| 24 | L | 84.4 | Confident | 71.7 | Confident | 148 Ų | 148 | 125.3 Ų | 125.3 | 78% | 0.775 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 9 | 175.5 | -61.8 | 175.6 | 0 | 0 | 0 | 113 | T22 Q26 | T22-L24 PolarHBondContact O-N 3.47Å; T22-L24 VanDerWaalsContact O-N 3.09Å; T22-L24 PolarHBondContact OG1-N 3.37Å; L24-Q26 VanDerWaalsContact C-N 3.27Å; L24-Q26 PolarHBondContact O-N 3.46Å; L24-Q26 HydrophobicContact CB-CG 4.46Å |
| 25 | G | 78 | Confident | 71.6 | Confident | 54 Ų | 54 | 122.5 Ų | 122.5 | 56% | 0.557 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 75.6 | 8.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | T22 L23 | T22-G25 PolarHBondContact O-N 2.8Å; L23-G25 VanDerWaalsContact C-N 3.29Å |
| 26 | Q | 80.1 | Confident | 71.2 | Confident | 121 Ų | 121 | 119.7 Ų | 119.7 | 57% | 0.565 | 69% | 0.692 | S | S | * | * | | | trans | -81.6 | 145.9 | 178.9 | -55.9 | -167.8 | 6.6 | 0 | 0 | 110.6 | T21 T22 L24 L28 | T21-Q26 CarbonylContact C-O 3.41Å; T21-Q26 WeakPolarHBondContact CA-O 3.29Å; T21-Q26 WeakPolarHBondContact CB-O 3.42Å; T22-Q26 HydrophobicContact CG2-CB 4.39Å; T22-Q26 PolarHBondContact N-O 3.25Å; T22-Q26 WeakPolarHBondContact OG1-CB 3.36Å; T22-Q26 PolarHBondContact OG1-N 3.11Å; T22-Q26 PolarHBondContact OG1-O 3.03Å; L24-Q26 VanDerWaalsContact C-N 3.27Å; L24-Q26 PolarHBondContact O-N 3.46Å; L24-Q26 HydrophobicContact CB-CG 4.46Å; Q26-L28 PolarHBondContact O-N 2.91Å |
| 27 | P | 76.9 | Confident | 70.5 | Confident | 104 Ų | 104 | 123 Ų | 123 | 68% | 0.675 | 69% | 0.691 | S | S | * | * | B | Isolated β-bridge | trans | -53.1 | 131.2 | 173.5 | -24.7 | 33.8 | 0 | 0 | 0 | 111 | V29 | P27-V29 PolarHBondContact O-N 3.14Å |
| 28 | L | 76 | Confident | 69.3 | Low | 95 Ų | 95 | 122 Ų | 122 | 50% | 0.497 | 69% | 0.688 | S | S | . | * | | | trans | -68.4 | 98.8 | 172.8 | -173.4 | 67.2 | 0 | 0 | 0 | 107.5 | F20 T22 Q26 T30 | F20-L28 HydrophobicContact CB-CB 3.73Å; F20-L28 PolarHBondContact O-N 2.63Å; F20-L28 WeakPolarHBondContact O-CB 3.15Å; F20-L28 VanDerWaalsContact O-CB 3.29Å; F20-L28 HydrophobicContact CG-CD2 4.28Å; F20-L28 HydrophobicContact CB-CG 4.31Å; F20-L28 HydrophobicContact CB-CD2 3.6Å; T22-L28 HydrophobicContact CG2-CD1 4.4Å; Q26-L28 PolarHBondContact O-N 2.91Å; L28-T30 PolarHBondContact O-N 3.17Å |
| 29 | V | 71.9 | Confident | 68.6 | Low | 130 Ų | 130 | 123.4 Ų | 123.4 | 79% | 0.788 | 70% | 0.696 | S | S | * | * | | | trans | -62 | 107.8 | 168.6 | -100.6 | 0 | 0 | 0 | 0 | 107.2 | P27 | P27-V29 PolarHBondContact O-N 3.14Š|
| 30 | T | 67.3 | Low | 67.4 | Low | 105 Ų | 105 | 117.6 Ų | 117.6 | 64% | 0.644 | 69% | 0.69 | S | S | * | * | | | trans | -61.7 | 131 | 167.4 | 46.1 | 0 | 0 | 0 | 0 | 106.9 | L28 T32 | L28-T30 PolarHBondContact O-N 3.17Å; T30-T32 VanDerWaalsContact C-N 3.32Å; T30-T32 PolarHBondContact O-N 3.19Å |
| 31 | P | 62 | Low | 66.4 | Low | 125 Ų | 125 | 121.9 Ų | 121.9 | 81% | 0.812 | 70% | 0.702 | S | S | * | * | | | trans | -60.6 | 102.9 | 172.9 | 23 | -29.5 | 0 | 0 | 0 | 106.8 | T33 | P31-T33 PolarHBondContact O-N 3.46Š|
| 32 | T | 62 | Low | 65.3 | Low | 116 Ų | 116 | 122 Ų | 122 | 71% | 0.712 | 71% | 0.706 | S | S | * | * | | | trans | -58.1 | 140 | 166.8 | 50.1 | 0 | 0 | 0 | 0 | 106.1 | T30 S34 | T30-T32 VanDerWaalsContact C-N 3.32Å; T30-T32 PolarHBondContact O-N 3.19Å; T32-S34 PolarHBondContact O-N 2.86Å |
| 33 | T | 57.5 | Low | 64.6 | Low | 139 Ų | 139 | 126.8 Ų | 126.8 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | | | trans | -64 | 71 | -179.9 | -34.3 | 0 | 0 | 0 | 0 | 109.3 | P31 K35 | P31-T33 PolarHBondContact O-N 3.46Å; T33-K35 PolarHBondContact O-N 3.3Å |
| 34 | S | 56.1 | Low | 63.4 | Low | 101 Ų | 101 | 125.6 Ų | 125.6 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | | | trans | -60.9 | 121.2 | 153.2 | 57.5 | 0 | 0 | 0 | 0 | 103.9 | T32 | T32-S34 PolarHBondContact O-N 2.86Š|
| 35 | K | 58.9 | Low | 62.4 | Low | 139 Ų | 139 | 125.9 Ų | 125.9 | 60% | 0.604 | 72% | 0.72 | S | S | * | * | | | trans | -34.3 | 138.1 | -179.1 | -62.3 | 168.2 | 179.1 | 176.6 | 0 | 109.8 | T33 Y37 | T33-K35 PolarHBondContact O-N 3.3Å; K35-Y37 HydrophobicContact CB-CD2 3.79Å; K35-Y37 PolarHBondContact O-N 2.75Å; K35-Y37 HydrophobicContact CG-CE2 4.17Å; K35-Y37 WeakPolarHBondContact CD-OH 3.47Å; K35-Y37 HydrophobicContact CD-CE2 3.59Å; K35-Y37 HydrophobicContact CB-CE2 3.57Å |
| 36 | P | 56.2 | Low | 61.6 | Low | 128 Ų | 128 | 127.6 Ų | 127.6 | 83% | 0.831 | 72% | 0.72 | S | S | * | * | | | trans | -68.5 | 77 | 178.2 | 31.1 | -34.3 | 0 | 0 | 0 | 108.7 | G38 | P36-G38 PolarHBondContact O-N 3.5Š|
| 37 | Y | 55.9 | Low | 61 | Low | 186 Ų | 186 | 127.9 Ų | 127.9 | 73% | 0.729 | 73% | 0.73 | S | S | * | * | | | trans | -75.9 | 85.5 | 166.2 | -72 | -69.3 | 0 | 0 | 0 | 106.1 | K35 L39 | K35-Y37 HydrophobicContact CB-CD2 3.79Å; K35-Y37 PolarHBondContact O-N 2.75Å; K35-Y37 HydrophobicContact CG-CE2 4.17Å; K35-Y37 WeakPolarHBondContact CD-OH 3.47Å; K35-Y37 HydrophobicContact CD-CE2 3.59Å; K35-Y37 HydrophobicContact CB-CE2 3.57Å; Y37-L39 PolarHBondContact O-N 3.36Å |
| 38 | G | 47.7 | Very low | 60.5 | Low | 62 Ų | 62 | 130 Ų | 130 | 64% | 0.639 | 73% | 0.734 | S | S | * | * | | | trans | 61.2 | 53 | 148.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | P36 G40 | P36-G38 PolarHBondContact O-N 3.5Å; G38-G40 PolarHBondContact O-N 3.18Å; G38-G40 VanDerWaalsContact O-N 3.11Å |
| 39 | L | 55.8 | Low | 59.9 | Low | 177 Ų | 177 | 129.6 Ų | 129.6 | 93% | 0.927 | 75% | 0.745 | S | S | * | * | | | trans | -82.8 | 51.1 | 155.5 | -62.9 | -176.8 | 0 | 0 | 0 | 110.4 | Y37 R41 | Y37-L39 PolarHBondContact O-N 3.36Å; L39-R41 PolarHBondContact O-N 2.8Å |
| 40 | G | 48.4 | Very low | 59.6 | Low | 69 Ų | 69 | 129.2 Ų | 129.2 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | | | trans | -90.1 | 31.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G38 C42 | G38-G40 PolarHBondContact O-N 3.18Å; G38-G40 VanDerWaalsContact O-N 3.11Å; G40-C42 PolarHBondContact O-N 3.41Å |
| 41 | R | 58.2 | Low | 59.3 | Low | 230 Ų | 230 | 129.1 Ų | 129.1 | 87% | 0.868 | 75% | 0.748 | S | S | * | * | | | trans | -82.6 | 94.2 | 171.3 | -66.2 | -166.6 | 174.5 | -157.9 | -2 | 107.6 | L39 L43 | L39-R41 PolarHBondContact O-N 2.8Å; R41-L43 PolarHBondContact O-N 3.3Å |
| 42 | C | 59.5 | Low | 59 | Low | 94 Ų | 94 | 133.7 Ų | 133.7 | 64% | 0.635 | 75% | 0.749 | S | S | * | * | | | trans | -43.7 | 123.6 | 162.9 | -74.8 | 0 | 0 | 0 | 0 | 108.5 | G40 H44 | G40-C42 PolarHBondContact O-N 3.41Å; C42-H44 PolarHBondContact O-N 2.86Å |
| 43 | L | 60.9 | Low | 58.4 | Low | 149 Ų | 149 | 131.8 Ų | 131.8 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | | | trans | -64.6 | 83.7 | 166.6 | -75.1 | 154.6 | 0 | 0 | 0 | 107.5 | R41 N45 V46 | R41-L43 PolarHBondContact O-N 3.3Å; L43-N45 PolarHBondContact O-N 3.09Å; L43-V46 HydrophobicContact CG-CG2 3.87Å; L43-V46 VanDerWaalsContact CD2-CG2 3.49Å; L43-V46 HydrophobicContact CD2-CG2 3.49Å; L43-V46 HydrophobicContact CD1-CG2 4.06Å; L43-V46 HydrophobicContact CB-CG2 3.55Å |
| 44 | H | 58.4 | Low | 58.1 | Low | 165 Ų | 165 | 130.2 Ų | 130.2 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | | | trans | -74.7 | 108.6 | 164.4 | -67.1 | 136.3 | 0 | 0 | 0 | 106.4 | C42 | C42-H44 PolarHBondContact O-N 2.86Š|
| 45 | N | 62.4 | Low | 57.5 | Low | 155 Ų | 155 | 132.4 Ų | 132.4 | 83% | 0.829 | 75% | 0.75 | S | S | * | * | | | trans | 69.1 | 77.2 | 177.8 | -63.2 | 12.5 | 0 | 0 | 0 | 116.2 | L43 | L43-N45 PolarHBondContact O-N 3.09Š|
| 46 | V | 61.1 | Low | 56.9 | Low | 89 Ų | 89 | 134.9 Ų | 134.9 | 54% | 0.539 | 78% | 0.78 | S | S | . | * | | | trans | -94.4 | 101 | 152.2 | -146 | 0 | 0 | 0 | 0 | 107.8 | L43 I48 | L43-V46 HydrophobicContact CG-CG2 3.87Å; L43-V46 VanDerWaalsContact CD2-CG2 3.49Å; L43-V46 HydrophobicContact CD2-CG2 3.49Å; L43-V46 HydrophobicContact CD1-CG2 4.06Å; L43-V46 HydrophobicContact CB-CG2 3.55Å; V46-I48 HydrophobicContact CG1-CG1 4.39Å; V46-I48 PolarHBondContact O-N 3.19Å |
| 47 | T | 67.9 | Low | 56.9 | Low | 128 Ų | 128 | 135.2 Ų | 135.2 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | trans | -76.1 | 102.7 | 162.1 | -57.2 | 0 | 0 | 0 | 0 | 106.9 | A49 | T47-A49 PolarHBondContact O-N 3.25Š|
| 48 | I | 66.2 | Low | 57 | Low | 147 Ų | 147 | 132.5 Ų | 132.5 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | | | trans | -78.6 | 96.7 | 167.6 | -57.3 | 176 | 0 | 0 | 0 | 106 | V46 D50 | V46-I48 HydrophobicContact CG1-CG1 4.39Å; V46-I48 PolarHBondContact O-N 3.19Å; I48-D50 PolarHBondContact O-N 3.19Å; I48-D50 VanDerWaalsContact O-N 3.13Å |
| 49 | A | 64.3 | Low | 57.5 | Low | 88 Ų | 88 | 136.4 Ų | 136.4 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | -72.6 | 98.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | T47 A51 | T47-A49 PolarHBondContact O-N 3.25Å; A49-A51 PolarHBondContact O-N 3.13Å |
| 50 | D | 64.5 | Low | 57.6 | Low | 121 Ų | 121 | 134.1 Ų | 134.1 | 65% | 0.647 | 78% | 0.78 | S | S | * | * | | | trans | -70.1 | 106.6 | 169.3 | -172.5 | 6.5 | 0 | 0 | 0 | 108.4 | I48 R52 | I48-D50 PolarHBondContact O-N 3.19Å; I48-D50 VanDerWaalsContact O-N 3.13Å; D50-R52 PolarHBondContact O-N 2.97Å; D50-R52 WeakPolarHBondContact OD1-CB 3.38Å; D50-R52 PolarHBondContact OD1-N 3.37Å |
| 51 | A | 61.2 | Low | 58.2 | Low | 103 Ų | 103 | 138.1 Ų | 138.1 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | | | trans | -76.7 | 30.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A49 | A49-A51 PolarHBondContact O-N 3.13Š|
| 52 | R | 55.3 | Low | 58.2 | Low | 222 Ų | 222 | 132 Ų | 132 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -127.1 | 67.4 | -177.6 | -63.2 | -171.1 | 160.3 | -161.6 | -5 | 111.8 | D50 | D50-R52 PolarHBondContact O-N 2.97Å; D50-R52 WeakPolarHBondContact OD1-CB 3.38Å; D50-R52 PolarHBondContact OD1-N 3.37Å |
| 53 | G | 50.5 | Low | 58.1 | Low | 76 Ų | 76 | 134.7 Ų | 134.7 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 105.9 | 98.9 | 155.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 54 | S | 51.1 | Low | 57.9 | Low | 106 Ų | 106 | 133.6 Ų | 133.6 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | | | trans | 152.3 | 119.4 | 155.5 | 156.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 55 | L | 43.8 | Very low | 57.9 | Low | 147 Ų | 147 | 131 Ų | 131 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | | | cis | -167.8 | 168 | 13 | -91.6 | 163.4 | 0 | 0 | 0 | 106.6 | | |
| 56 | P | 46 | Very low | 57.4 | Low | 190 Ų | 190 | 128.8 Ų | 128.8 | 100% | 1.234 | 79% | 0.788 | S | S | * | * | | | cis | -86.7 | 0 | 6.5 | 34 | -34.2 | 0 | 0 | 0 | 115.2 | | |