| 1 | M | 59.4 | Low | 74.7 | Confident | 239 Ų | 239 | 132.2 Ų | 132.2 | 100% | 1.177 | 67% | 0.665 | S | S | * | * | | | | 0 | 97.7 | 0 | -69.6 | 158.6 | 77.7 | 0 | 0 | 108.7 | | |
| 2 | K | 61.3 | Low | 75.5 | Confident | 178 Ų | 178 | 128.6 Ų | 128.6 | 77% | 0.774 | 65% | 0.654 | S | S | * | * | | | trans | -138.6 | 8.2 | -179.5 | -63.3 | 178.7 | 179.9 | 174.6 | 0 | 112.4 | | |
| 3 | C | 67.5 | Low | 76.1 | Confident | 80 Ų | 80 | 124.9 Ų | 124.9 | 54% | 0.541 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -86.1 | -21.9 | -172.5 | -66.1 | 0 | 0 | 0 | 0 | 113.3 | H5 L6 F7 | C3-H5 VanDerWaalsContact C-N 3.34Å; C3-H5 PolarHBondContact O-N 3.42Å; C3-L6 PolarHBondContact O-N 3.37Å; C3-F7 HydrophobicContact CB-CD2 4.21Å; C3-F7 HydrophobicContact CB-CE2 3.97Å; C3-F7 WeakPolarHBondContact O-CD2 2.92Å; C3-F7 PolarHBondContact O-N 2.76Å; C3-F7 VanDerWaalsContact O-N 3.14Å |
| 4 | S | 73 | Confident | 76.4 | Confident | 80 Ų | 80 | 124 Ų | 124 | 56% | 0.559 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -61.7 | -39.8 | -178.1 | 47.2 | 0 | 0 | 0 | 0 | 112.7 | F7 S8 | S4-F7 PolarHBondContact O-N 3.43Å; S4-S8 WeakPolarHBondContact O-CB 3.24Å; S4-S8 PolarHBondContact O-N 3.21Å |
| 5 | H | 75.3 | Confident | 76.5 | Confident | 150 Ų | 150 | 119.5 Ų | 119.5 | 69% | 0.694 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.4 | -35.3 | 179.1 | -64.2 | -70.1 | 0 | 0 | 0 | 112.7 | C3 S8 W9 | C3-H5 VanDerWaalsContact C-N 3.34Å; C3-H5 PolarHBondContact O-N 3.42Å; H5-S8 PolarHBondContact O-N 3.25Å; H5-W9 WeakPolarHBondContact O-CB 3.5Å; H5-W9 PolarHBondContact O-N 3.38Å |
| 6 | L | 77.8 | Confident | 76.3 | Confident | 119 Ų | 119 | 114.8 Ų | 114.8 | 62% | 0.623 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.4 | -42 | 177.3 | -62.6 | 177.9 | 0 | 0 | 0 | 111.3 | C3 W9 A10 | C3-L6 PolarHBondContact O-N 3.37Å; L6-W9 PolarHBondContact O-N 3.18Å; L6-A10 WeakPolarHBondContact O-CB 3.3Å; L6-A10 PolarHBondContact O-N 2.82Å |
| 7 | F | 78.3 | Confident | 75.8 | Confident | 152 Ų | 152 | 110.1 Ų | 110.1 | 67% | 0.667 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.4 | -40.1 | 175 | -73.6 | -63.1 | 0 | 0 | 0 | 112.2 | C3 S4 W9 A10 F11 | C3-F7 HydrophobicContact CB-CD2 4.21Å; C3-F7 HydrophobicContact CB-CE2 3.97Å; C3-F7 WeakPolarHBondContact O-CD2 2.92Å; C3-F7 PolarHBondContact O-N 2.76Å; C3-F7 VanDerWaalsContact O-N 3.14Å; S4-F7 PolarHBondContact O-N 3.43Å; F7-W9 VanDerWaalsContact C-N 3.33Å; F7-W9 PolarHBondContact O-N 2.95Å; F7-A10 PolarHBondContact O-N 2.8Å; F7-F11 PolarHBondContact O-N 2.94Å |
| 8 | S | 79.9 | Confident | 75.2 | Confident | 74 Ų | 74 | 109.6 Ų | 109.6 | 52% | 0.517 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.8 | -43.3 | 175.5 | -172.7 | 0 | 0 | 0 | 0 | 111.7 | S4 H5 F11 V12 | S4-S8 WeakPolarHBondContact O-CB 3.24Å; S4-S8 PolarHBondContact O-N 3.21Å; H5-S8 PolarHBondContact O-N 3.25Å; S8-F11 PolarHBondContact O-N 3.48Å; S8-V12 WeakPolarHBondContact O-CG2 3.05Å; S8-V12 PolarHBondContact O-N 2.86Å |
| 9 | W | 83.8 | Confident | 74.4 | Confident | 168 Ų | 168 | 110.4 Ų | 110.4 | 64% | 0.636 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.8 | -40.9 | -179.5 | -169.9 | 59.2 | 0 | 0 | 0 | 112.1 | H5 L6 F7 F11 V12 L13 | H5-W9 WeakPolarHBondContact O-CB 3.5Å; H5-W9 PolarHBondContact O-N 3.38Å; L6-W9 PolarHBondContact O-N 3.18Å; F7-W9 VanDerWaalsContact C-N 3.33Å; F7-W9 PolarHBondContact O-N 2.95Å; W9-F11 VanDerWaalsContact C-N 3.27Å; W9-F11 PolarHBondContact O-N 3.01Å; W9-V12 PolarHBondContact O-N 2.84Å; W9-L13 HydrophobicContact CD2-CD1 3.72Å; W9-L13 HydrophobicContact CD2-CG 4.32Å; W9-L13 HydrophobicContact CE3-CD1 3.77Å; W9-L13 HydrophobicContact CG-CD1 4.44Å; W9-L13 HydrophobicContact CH2-CD1 3.8Å; W9-L13 HydrophobicContact CZ2-CD1 3.73Å; W9-L13 HydrophobicContact CZ2-CD2 4.36Å; W9-L13 HydrophobicContact CZ2-CG 4.42Å; W9-L13 HydrophobicContact CZ3-CD1 3.81Å; W9-L13 WeakPolarHBondContact O-CG 3.4Å; W9-L13 PolarHBondContact O-N 3.34Å |
| 10 | A | 83.8 | Confident | 73.6 | Confident | 48 Ų | 48 | 112.3 Ų | 112.3 | 40% | 0.397 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -58.6 | -39.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L6 F7 L13 V14 | L6-A10 WeakPolarHBondContact O-CB 3.3Å; L6-A10 PolarHBondContact O-N 2.82Å; F7-A10 PolarHBondContact O-N 2.8Å; A10-L13 PolarHBondContact O-N 3.11Å; A10-V14 VanDerWaalsContact O-CG2 3.3Å; A10-V14 WeakPolarHBondContact O-CG2 3.43Å; A10-V14 PolarHBondContact O-N 3.2Å |
| 11 | F | 82.1 | Confident | 73 | Confident | 166 Ų | 166 | 110.4 Ų | 110.4 | 73% | 0.728 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.4 | -41.2 | 177.7 | -131.8 | -89.1 | 0 | 0 | 0 | 112.5 | F7 S8 W9 A15 | F7-F11 PolarHBondContact O-N 2.94Å; S8-F11 PolarHBondContact O-N 3.48Å; W9-F11 VanDerWaalsContact C-N 3.27Å; W9-F11 PolarHBondContact O-N 3.01Å; F11-A15 WeakPolarHBondContact O-CB 3.37Å; F11-A15 PolarHBondContact O-N 3.16Å; F11-A15 VanDerWaalsContact O-N 3.11Å |
| 12 | V | 84.3 | Confident | 72.6 | Confident | 89 Ų | 89 | 105.6 Ų | 105.6 | 54% | 0.539 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.3 | -42.5 | 177.4 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | S8 W9 A15 S16 | S8-V12 WeakPolarHBondContact O-CG2 3.05Å; S8-V12 PolarHBondContact O-N 2.86Å; W9-V12 PolarHBondContact O-N 2.84Å; V12-A15 PolarHBondContact O-N 3.45Å; V12-S16 PolarHBondContact O-N 3.05Å; V12-S16 PolarHBondContact O-OG 3.4Å |
| 13 | L | 82.4 | Confident | 72.4 | Confident | 81 Ų | 81 | 102 Ų | 102 | 42% | 0.424 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.2 | -39.1 | 178.7 | -69.9 | 174.8 | 0 | 0 | 0 | 113 | W9 A10 S16 G17 | W9-L13 HydrophobicContact CD2-CD1 3.72Å; W9-L13 HydrophobicContact CD2-CG 4.32Å; W9-L13 HydrophobicContact CE3-CD1 3.77Å; W9-L13 HydrophobicContact CG-CD1 4.44Å; W9-L13 HydrophobicContact CH2-CD1 3.8Å; W9-L13 HydrophobicContact CZ2-CD1 3.73Å; W9-L13 HydrophobicContact CZ2-CD2 4.36Å; W9-L13 HydrophobicContact CZ2-CG 4.42Å; W9-L13 HydrophobicContact CZ3-CD1 3.81Å; W9-L13 WeakPolarHBondContact O-CG 3.4Å; W9-L13 PolarHBondContact O-N 3.34Å; A10-L13 PolarHBondContact O-N 3.11Å; L13-S16 PolarHBondContact O-OG 3.2Å; L13-S16 VanDerWaalsContact O-OG 3.11Å; L13-G17 PolarHBondContact O-N 3.03Å; L13-G17 VanDerWaalsContact O-N 3.14Å |
| 14 | V | 81.1 | Confident | 72.1 | Confident | 112 Ų | 112 | 106.2 Ų | 106.2 | 68% | 0.679 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.3 | -38.9 | 177.6 | 169.6 | 0 | 0 | 0 | 0 | 111.2 | A10 | A10-V14 VanDerWaalsContact O-CG2 3.3Å; A10-V14 WeakPolarHBondContact O-CG2 3.43Å; A10-V14 PolarHBondContact O-N 3.2Å |
| 15 | A | 77.9 | Confident | 71.3 | Confident | 57 Ų | 57 | 108.3 Ų | 108.3 | 47% | 0.471 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -70.9 | -31.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F11 V12 T18 | F11-A15 WeakPolarHBondContact O-CB 3.37Å; F11-A15 PolarHBondContact O-N 3.16Å; F11-A15 VanDerWaalsContact O-N 3.11Å; V12-A15 PolarHBondContact O-N 3.45Å; A15-T18 PolarHBondContact O-OG1 3.34Å |
| 16 | S | 73.6 | Confident | 70.4 | Confident | 43 Ų | 43 | 109.7 Ų | 109.7 | 30% | 0.301 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -80.5 | -25 | 177.5 | 62.7 | 0 | 0 | 0 | 0 | 113.3 | V12 L13 T18 L19 L20 | V12-S16 PolarHBondContact O-N 3.05Å; V12-S16 PolarHBondContact O-OG 3.4Å; L13-S16 PolarHBondContact O-OG 3.2Å; L13-S16 VanDerWaalsContact O-OG 3.11Å; S16-T18 VanDerWaalsContact C-N 3.29Å; S16-T18 PolarHBondContact O-N 3.2Å; S16-L19 WeakPolarHBondContact O-CB 3.42Å; S16-L19 PolarHBondContact O-N 3.42Å; S16-L20 PolarHBondContact O-N 2.97Å; S16-L20 VanDerWaalsContact O-N 3.14Å |
| 17 | G | 67.9 | Low | 69.5 | Low | 35 Ų | 35 | 109.2 Ų | 109.2 | 36% | 0.361 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -60 | -35.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L13 L19 L20 A21 | L13-G17 PolarHBondContact O-N 3.03Å; L13-G17 VanDerWaalsContact O-N 3.14Å; G17-L19 VanDerWaalsContact C-N 3.25Å; G17-L19 PolarHBondContact O-N 3.43Å; G17-L20 PolarHBondContact O-N 3.11Å; G17-A21 WeakPolarHBondContact O-CB 3.44Å; G17-A21 PolarHBondContact O-N 3.21Å |
| 18 | T | 64.6 | Low | 68.8 | Low | 101 Ų | 101 | 105.8 Ų | 105.8 | 62% | 0.62 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -71.1 | -20.4 | 175.9 | 52.2 | 0 | 0 | 0 | 0 | 113.5 | A15 S16 | A15-T18 PolarHBondContact O-OG1 3.34Å; S16-T18 VanDerWaalsContact C-N 3.29Å; S16-T18 PolarHBondContact O-N 3.2Å |
| 19 | L | 60.3 | Low | 67.9 | Low | 125 Ų | 125 | 110.7 Ų | 110.7 | 65% | 0.654 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -84.8 | -31 | 175.1 | -64.6 | 171.7 | 0 | 0 | 0 | 111.7 | S16 G17 A21 | S16-L19 WeakPolarHBondContact O-CB 3.42Å; S16-L19 PolarHBondContact O-N 3.42Å; G17-L19 VanDerWaalsContact C-N 3.25Å; G17-L19 PolarHBondContact O-N 3.43Å; L19-A21 VanDerWaalsContact C-N 3.33Å |
| 20 | L | 58 | Low | 66.9 | Low | 149 Ų | 149 | 110 Ų | 110 | 78% | 0.78 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -79.3 | -16.5 | 173.8 | -69 | 170.3 | 0 | 0 | 0 | 113.1 | S16 G17 H22 | S16-L20 PolarHBondContact O-N 2.97Å; S16-L20 VanDerWaalsContact O-N 3.14Å; G17-L20 PolarHBondContact O-N 3.11Å; L20-H22 PolarHBondContact O-N 3.04Å |
| 21 | A | 60.3 | Low | 66 | Low | 72 Ų | 72 | 113.2 Ų | 113.2 | 60% | 0.595 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | 11.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G17 L19 P23 | G17-A21 WeakPolarHBondContact O-CB 3.44Å; G17-A21 PolarHBondContact O-N 3.21Å; L19-A21 VanDerWaalsContact C-N 3.33Å; A21-P23 WeakPolarHBondContact O-CD 3.13Å |
| 22 | H | 51.8 | Low | 64.7 | Low | 138 Ų | 138 | 115.4 Ų | 115.4 | 64% | 0.639 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -70.5 | 111.9 | 162.4 | -79.9 | -25.1 | 0 | 0 | 0 | 108.7 | L20 I24 | L20-H22 PolarHBondContact O-N 3.04Å; H22-I24 PolarHBondContact O-N 3.46Å |
| 23 | P | 57.8 | Low | 63.7 | Low | 104 Ų | 104 | 116.6 Ų | 116.6 | 68% | 0.675 | 67% | 0.666 | S | S | * | * | | | trans | -69.3 | 97.8 | 173 | 30.2 | -32 | 0 | 0 | 0 | 107.5 | A21 T25 | A21-P23 WeakPolarHBondContact O-CD 3.13Å; P23-T25 PolarHBondContact O-N 3.47Å |
| 24 | I | 59.7 | Low | 63 | Low | 167 Ų | 167 | 115.1 Ų | 115.1 | 86% | 0.856 | 67% | 0.67 | S | S | * | * | | | trans | -77.3 | 66.6 | 158.8 | -50.7 | 173.7 | 0 | 0 | 0 | 106.4 | H22 | H22-I24 PolarHBondContact O-N 3.46Š|
| 25 | T | 57.4 | Low | 61.7 | Low | 124 Ų | 124 | 115.9 Ų | 115.9 | 76% | 0.761 | 68% | 0.677 | S | S | * | * | | | trans | -142.2 | 56.3 | 168 | 45.3 | 0 | 0 | 0 | 0 | 107.3 | P23 | P23-T25 PolarHBondContact O-N 3.47Š|
| 26 | E | 55.5 | Low | 60.6 | Low | 180 Ų | 180 | 117.2 Ų | 117.2 | 84% | 0.841 | 69% | 0.689 | S | S | * | * | | | trans | -122.7 | 81 | 147.5 | -135 | -176.1 | -161.9 | 0 | 0 | 105.4 | A28 | E26-A28 PolarHBondContact O-N 2.99Š|
| 27 | S | 59.6 | Low | 59.5 | Low | 108 Ų | 108 | 120.6 Ų | 120.6 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | | | trans | -62 | 93.7 | 156.6 | 50.4 | 0 | 0 | 0 | 0 | 105.7 | E29 | S27-E29 PolarHBondContact O-N 3.45Š|
| 28 | A | 63.2 | Low | 58.9 | Low | 81 Ų | 81 | 124.9 Ų | 124.9 | 67% | 0.669 | 73% | 0.731 | S | S | * | * | | | trans | -67.3 | 79.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | E26 M30 | E26-A28 PolarHBondContact O-N 2.99Å; A28-M30 PolarHBondContact O-N 2.98Å |
| 29 | E | 61.3 | Low | 58.3 | Low | 176 Ų | 176 | 128 Ų | 128 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | | | trans | -69.5 | 91 | 163.7 | -174.9 | 133.4 | -160.5 | 0 | 0 | 106.4 | S27 P31 | S27-E29 PolarHBondContact O-N 3.45Å; E29-P31 VanDerWaalsContact O-CD 3.24Å; E29-P31 WeakPolarHBondContact O-CD 3.37Å |
| 30 | M | 63.2 | Low | 57.6 | Low | 155 Ų | 155 | 130.4 Ų | 130.4 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | | | trans | -75 | 112.7 | 171.6 | -69.8 | -65 | -65 | 0 | 0 | 107.4 | A28 Y32 | A28-M30 PolarHBondContact O-N 2.98Å; M30-Y32 PolarHBondContact O-N 3.5Å |
| 31 | P | 64.3 | Low | 56.7 | Low | 114 Ų | 114 | 126.4 Ų | 126.4 | 74% | 0.74 | 75% | 0.747 | S | S | * | * | | | trans | -64.9 | 114.1 | 169.6 | 26.9 | -31 | 0 | 0 | 0 | 107.3 | E29 P33 | E29-P31 VanDerWaalsContact O-CD 3.24Å; E29-P31 WeakPolarHBondContact O-CD 3.37Å; P31-P33 VanDerWaalsContact O-CD 3.3Å; P31-P33 WeakPolarHBondContact O-CD 3.43Å |
| 32 | Y | 54.9 | Low | 55.5 | Low | 212 Ų | 212 | 128.9 Ų | 128.9 | 83% | 0.831 | 76% | 0.755 | S | S | * | * | | | trans | -62.3 | 120.6 | 173.4 | -149.4 | -89.6 | 0 | 0 | 0 | 107.1 | M30 G34 | M30-Y32 PolarHBondContact O-N 3.5Å; Y32-G34 VanDerWaalsContact C-N 3.29Å; Y32-G34 PolarHBondContact O-N 3.14Å |
| 33 | P | 63.8 | Low | 55 | Low | 115 Ų | 115 | 130.1 Ų | 130.1 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | | | trans | -66.6 | 99.7 | 167.3 | 26.5 | -29 | 0 | 0 | 0 | 106.2 | P31 | P31-P33 VanDerWaalsContact O-CD 3.3Å; P31-P33 WeakPolarHBondContact O-CD 3.43Å |
| 34 | G | 67.1 | Low | 54.1 | Low | 50 Ų | 50 | 128.2 Ų | 128.2 | 52% | 0.515 | 76% | 0.764 | S | S | . | * | P | Polyproline II helix | trans | -54.4 | 146.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y32 A36 | Y32-G34 VanDerWaalsContact C-N 3.29Å; Y32-G34 PolarHBondContact O-N 3.14Å; G34-A36 PolarHBondContact O-N 3.28Å; G34-A36 VanDerWaalsContact O-N 3.1Å |
| 35 | P | 54.4 | Low | 53.2 | Low | 127 Ų | 127 | 126.3 Ų | 126.3 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 125.1 | 179.8 | 22.5 | -32 | 0 | 0 | 0 | 108.7 | S37 | P35-S37 PolarHBondContact O-N 3.4Š|
| 36 | A | 53.1 | Low | 52.4 | Low | 86 Ų | 86 | 127.4 Ų | 127.4 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 119.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | G34 V38 | G34-A36 PolarHBondContact O-N 3.28Å; G34-A36 VanDerWaalsContact O-N 3.1Å; A36-V38 PolarHBondContact O-N 3.33Å |
| 37 | S | 50.3 | Low | 51.6 | Low | 113 Ų | 113 | 125.4 Ų | 125.4 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | | | trans | -63.1 | 92.7 | 169.8 | 53.4 | 0 | 0 | 0 | 0 | 107.3 | P35 E39 | P35-S37 PolarHBondContact O-N 3.4Å; S37-E39 PolarHBondContact O-N 3.06Å |
| 38 | V | 55.7 | Low | 50.7 | Low | 125 Ų | 125 | 127.1 Ų | 127.1 | 76% | 0.758 | 76% | 0.756 | S | S | * | * | | | trans | -73 | 85.8 | 167.7 | 174.5 | 0 | 0 | 0 | 0 | 106.2 | A36 | A36-V38 PolarHBondContact O-N 3.33Š|
| 39 | E | 52.2 | Low | 49.6 | Very low | 168 Ų | 168 | 131.3 Ų | 131.3 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | | | trans | 162.1 | 96.8 | 153.3 | 53 | -150.3 | 147.7 | 0 | 0 | 109.2 | S37 | S37-E39 PolarHBondContact O-N 3.06Š|
| 40 | D | 46.3 | Very low | 48.6 | Very low | 174 Ų | 174 | 127.5 Ų | 127.5 | 93% | 0.93 | 76% | 0.755 | S | S | * | * | | | trans | -164.6 | 124.8 | 142.5 | -102.7 | -25.8 | 0 | 0 | 0 | 110.9 | | |
| 41 | G | 38.6 | Very low | 47.3 | Very low | 66 Ų | 66 | 128.2 Ų | 128.2 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | | | trans | 95.9 | 75.5 | 166 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 42 | V | 36.3 | Very low | 46.5 | Very low | 124 Ų | 124 | 128.3 Ų | 128.3 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | | | | 60.9 | 99.5 | 80.5 | -176.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 43 | I | 39.5 | Very low | 46.1 | Very low | 164 Ų | 164 | 127.2 Ų | 127.2 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | | | trans | 72.1 | 118.9 | 140 | -54.9 | 168.8 | 0 | 0 | 0 | 119.1 | | |
| 44 | G | 38.8 | Very low | 45 | Very low | 64 Ų | 64 | 130.7 Ų | 130.7 | 66% | 0.66 | 77% | 0.77 | S | S | * | * | | | trans | 155.8 | 82.2 | 157 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 45 | T | 41.2 | Very low | 43.6 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | | | | 68.4 | 100.8 | 106.2 | -45.1 | 0 | 0 | 0 | 0 | 115 | | |
| 46 | L | 41.3 | Very low | 43 | Very low | 147 Ų | 147 | 137.5 Ų | 137.5 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | | 160.7 | 116.4 | 119.1 | -110.4 | 137.6 | 0 | 0 | 0 | 111.6 | | |
| 47 | D | 37.8 | Very low | 42.5 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | | | trans | 23.4 | 124.3 | 142 | -53.4 | -47 | 0 | 0 | 0 | 121.4 | | |
| 48 | D | 40.4 | Very low | 42.5 | Very low | 144 Ų | 144 | 140.5 Ų | 140.5 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | | 32.4 | 118.5 | 119.5 | -154.5 | 25.9 | 0 | 0 | 0 | 118.3 | | |
| 49 | E | 41.1 | Very low | 42.2 | Very low | 169 Ų | 169 | 143.9 Ų | 143.9 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | -171.3 | 123.8 | 132.2 | -157.4 | 75 | 98.5 | 0 | 0 | 110.7 | | |
| 50 | S | 40.2 | Very low | 41.6 | Very low | 97 Ų | 97 | 144 Ų | 144 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 141.4 | 176.3 | 53.7 | 0 | 0 | 0 | 0 | 115.7 | | |
| 51 | L | 35.3 | Very low | 41.4 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 121.3 | 171.4 | -155.4 | 116.8 | 0 | 0 | 0 | 109.7 | | |
| 52 | P | 48.3 | Very low | 41.5 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 143.2 | -174.2 | 32.8 | -32.2 | 0 | 0 | 0 | 113.9 | | |
| 53 | E | 46.2 | Very low | 41.8 | Very low | 188 Ų | 188 | 139 Ų | 139 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 123.5 | 162.4 | -87.8 | 160.3 | 118 | 0 | 0 | 112.2 | | |
| 54 | Q | 40.6 | Very low | 42.1 | Very low | 188 Ų | 188 | 138.8 Ų | 138.8 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | | | trans | 175.7 | 145.8 | 153.6 | -114.4 | 160.7 | 28.9 | 0 | 0 | 109.1 | | |
| 55 | T | 37.3 | Very low | 42.4 | Very low | 114 Ų | 114 | 147 Ų | 147 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | | | cis | -173.8 | 143.2 | -13 | -97.2 | 0 | 0 | 0 | 0 | 104.4 | | |
| 56 | F | 43.4 | Very low | 42.3 | Very low | 207 Ų | 207 | 152 Ų | 152 | 91% | 0.908 | 81% | 0.81 | S | S | * | * | | | trans | -67.8 | 136.9 | 175.9 | -67.9 | -94.7 | 0 | 0 | 0 | 111.6 | | |
| 57 | I | 42.3 | Very low | 42.4 | Very low | 142 Ų | 142 | 150.9 Ų | 150.9 | 73% | 0.728 | 82% | 0.815 | S | S | * | * | | | trans | -132.6 | 119.7 | 159.1 | -65.3 | -167.4 | 0 | 0 | 0 | 109.1 | | |
| 58 | P | 49.2 | Very low | 42.8 | Very low | 120 Ų | 120 | 149.1 Ų | 149.1 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | | | trans | -90.2 | 119.4 | 164.9 | 30.9 | -22.4 | 0 | 0 | 0 | 109.5 | D60 | P58-D60 PolarHBondContact O-N 3.35Š|
| 59 | Q | 49.4 | Very low | 43.1 | Very low | 196 Ų | 196 | 151.3 Ų | 151.3 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | | | trans | -85 | 111.7 | 167.3 | -84.4 | -157 | 13.5 | 0 | 0 | 110 | | |
| 60 | D | 40.3 | Very low | 43.5 | Very low | 170 Ų | 170 | 151 Ų | 151 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | | | trans | -100.1 | 142.9 | 168 | -146.9 | -0.6 | 0 | 0 | 0 | 108 | P58 | P58-D60 PolarHBondContact O-N 3.35Š|
| 61 | G | 41.8 | Very low | 43.7 | Very low | 74 Ų | 74 | 152.1 Ų | 152.1 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | | | trans | 136.9 | 98.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 62 | A | 41.2 | Very low | 44.2 | Very low | 105 Ų | 105 | 147.5 Ų | 147.5 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | | | trans | 148 | 128.5 | 143.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 63 | A | 41.3 | Very low | 44.3 | Very low | 81 Ų | 81 | 151.1 Ų | 151.1 | 67% | 0.669 | 82% | 0.823 | S | S | * | * | | | cis | -171.2 | 145.3 | 8 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 64 | L | 46.2 | Very low | 44.5 | Very low | 159 Ų | 159 | 148.6 Ų | 148.6 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | | | trans | 52.8 | 114.5 | 138.9 | -55.7 | 166.6 | 0 | 0 | 0 | 117.9 | | |
| 65 | R | 45.6 | Very low | 44.8 | Very low | 235 Ų | 235 | 145.4 Ų | 145.4 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | | | | 163 | 108.3 | 108.8 | -74.6 | -99.3 | -170.7 | 168.9 | 6.7 | 109.1 | | |
| 66 | Y | 39.1 | Very low | 45.4 | Very low | 232 Ų | 232 | 149.9 Ų | 149.9 | 91% | 0.91 | 81% | 0.813 | S | S | * | * | | | trans | -60.2 | 137.2 | 160.5 | -62.4 | -92.3 | 0 | 0 | 0 | 109.5 | | |
| 67 | S | 44.5 | Very low | 45.5 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | | | trans | -128 | 105.9 | 160.2 | 179.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 68 | T | 44.3 | Very low | 45.7 | Very low | 100 Ų | 100 | 144.6 Ų | 144.6 | 61% | 0.613 | 82% | 0.815 | S | S | * | * | | | trans | -85.8 | 137.7 | 177.6 | 4.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 69 | F | 47.6 | Very low | 45.7 | Very low | 190 Ų | 190 | 145 Ų | 145 | 83% | 0.833 | 82% | 0.815 | S | S | * | * | | | trans | 47.3 | 119.9 | 149.3 | -51.8 | -64.4 | 0 | 0 | 0 | 121.2 | | |
| 70 | I | 49.4 | Very low | 45.7 | Very low | 162 Ų | 162 | 147.4 Ų | 147.4 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | | | trans | -155.8 | 101.4 | 133.3 | -70.3 | -154.6 | 0 | 0 | 0 | 105.7 | | |
| 71 | S | 44.6 | Very low | 46.2 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | | | | 60.3 | 111.6 | 81.5 | -167.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 72 | G | 46.7 | Very low | 46.4 | Very low | 74 Ų | 74 | 146.4 Ų | 146.4 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | | | trans | 169.6 | 48.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 73 | E | 48.5 | Very low | 46.7 | Very low | 192 Ų | 192 | 147.8 Ų | 147.8 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | | | trans | -79.1 | 110.2 | 161.8 | -177 | 171.1 | -174.8 | 0 | 0 | 109 | | |
| 74 | V | 50.9 | Low | 47.2 | Very low | 134 Ų | 134 | 151 Ų | 151 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | | | trans | -144.1 | 91.8 | 167.6 | 173.3 | 0 | 0 | 0 | 0 | 106.2 | | |
| 75 | N | 48 | Very low | 47.3 | Very low | 122 Ų | 122 | 149.9 Ų | 149.9 | 65% | 0.652 | 80% | 0.798 | S | S | * | * | | | | 66.8 | 119.4 | 83.2 | -164.1 | 30.1 | 0 | 0 | 0 | 116.3 | | |
| 76 | R | 48.4 | Very low | 47.7 | Very low | 207 Ų | 207 | 144.3 Ų | 144.3 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | | | trans | 71.3 | 113.7 | 150.3 | -88.2 | 165.2 | -161.7 | -150.9 | 0.1 | 122.1 | | |
| 77 | D | 47 | Very low | 47.9 | Very low | 157 Ų | 157 | 145.3 Ų | 145.3 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | | | | 33.4 | 108 | 120.4 | -59 | -38.5 | 0 | 0 | 0 | 118.2 | | |
| 78 | G | 46.6 | Very low | 48 | Very low | 81 Ų | 81 | 142.5 Ų | 142.5 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | | | trans | -135.2 | 74.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R80 | G78-R80 PolarHBondContact O-N 3.38Š|
| 79 | V | 48.3 | Very low | 48.1 | Very low | 129 Ų | 129 | 144.2 Ų | 144.2 | 78% | 0.782 | 80% | 0.796 | S | S | * | * | | | trans | -63.9 | 119.8 | 162.4 | 168.4 | 0 | 0 | 0 | 0 | 109 | | |
| 80 | R | 50.1 | Low | 48.4 | Very low | 246 Ų | 246 | 143.8 Ų | 143.8 | 93% | 0.928 | 79% | 0.794 | S | S | * | * | | | trans | -140.8 | 108.8 | 150.5 | -80.3 | -165.5 | 177.6 | 172.5 | -0.4 | 111.1 | G78 | G78-R80 PolarHBondContact O-N 3.38Š|
| 81 | T | 50.9 | Low | 48.6 | Very low | 112 Ų | 112 | 147.9 Ų | 147.9 | 69% | 0.687 | 80% | 0.798 | S | S | * | * | | | trans | -72 | 167.6 | 162.8 | 44.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 82 | T | 45.9 | Very low | 48.9 | Very low | 111 Ų | 111 | 150.8 Ų | 150.8 | 68% | 0.681 | 80% | 0.799 | S | S | * | * | | | trans | 89.5 | 110.2 | 161.9 | 73.3 | 0 | 0 | 0 | 0 | 117.4 | | |
| 83 | N | 47.7 | Very low | 49.2 | Very low | 135 Ų | 135 | 152.7 Ų | 152.7 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | | | | 177.8 | 112.2 | 96.5 | -80.3 | -50.2 | 0 | 0 | 0 | 113.2 | | |
| 84 | L | 51.1 | Low | 49.5 | Very low | 149 Ų | 149 | 150.5 Ų | 150.5 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | | | | 55.8 | 93.3 | 126.8 | -53.1 | 170.1 | 0 | 0 | 0 | 121.4 | | |
| 85 | V | 47.4 | Very low | 49.7 | Very low | 135 Ų | 135 | 150.9 Ų | 150.9 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | | 49.2 | 155.2 | 111.4 | -167.3 | 0 | 0 | 0 | 0 | 118.9 | | |
| 86 | P | 54 | Low | 49.8 | Very low | 118 Ų | 118 | 153.7 Ų | 153.7 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | | | | -119.3 | 147.3 | -84.9 | 39.7 | -19.7 | 0 | 0 | 0 | 113.1 | | |
| 87 | R | 44.4 | Very low | 50.2 | Low | 252 Ų | 252 | 152.4 Ų | 152.4 | 95% | 0.951 | 80% | 0.795 | S | S | * | * | | | trans | -114 | 106.2 | 170.7 | -157.5 | 170.4 | 178 | 173.3 | -1.7 | 110.3 | | |
| 88 | G | 46.1 | Very low | 50.4 | Low | 66 Ų | 66 | 152.7 Ų | 152.7 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | | | trans | -59.2 | 162.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 89 | V | 46.4 | Very low | 50.8 | Low | 137 Ų | 137 | 152.6 Ų | 152.6 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | | | | 174.8 | 117.9 | 113.4 | 163 | 0 | 0 | 0 | 0 | 106.1 | R91 | V89-R91 PolarHBondContact O-N 3.14Š|
| 90 | K | 53.3 | Low | 51.3 | Low | 181 Ų | 181 | 153 Ų | 153 | 79% | 0.787 | 79% | 0.788 | S | S | * | * | | | trans | 6.2 | 104.5 | 158.7 | -78.3 | 174.7 | 167.2 | 177.7 | 0 | 116.1 | | |
| 91 | R | 54.8 | Low | 51.6 | Low | 247 Ų | 247 | 148.8 Ų | 148.8 | 93% | 0.932 | 78% | 0.783 | S | S | * | * | | | trans | -122.2 | 47.5 | 144.9 | -83.4 | -172.9 | 176.4 | 162.2 | -0.3 | 110.1 | V89 V93 | V89-R91 PolarHBondContact O-N 3.14Å; R91-V93 PolarHBondContact O-N 3.11Å |
| 92 | E | 49.5 | Very low | 52 | Low | 181 Ų | 181 | 152.1 Ų | 152.1 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | | | trans | -82.4 | 71.2 | 156 | -64.4 | 175.9 | -138.4 | 0 | 0 | 107 | | |
| 93 | V | 54 | Low | 52.5 | Low | 115 Ų | 115 | 151 Ų | 151 | 70% | 0.697 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -133.2 | 93.1 | 168.8 | -178.2 | 0 | 0 | 0 | 0 | 107.1 | R91 | R91-V93 PolarHBondContact O-N 3.11Š|
| 94 | L | 55.3 | Low | 52.9 | Low | 146 Ų | 146 | 153 Ų | 153 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | | | trans | 59.5 | 64.8 | 149.2 | -61.4 | 168.9 | 0 | 0 | 0 | 116.5 | | |
| 95 | L | 55 | Low | 53.2 | Low | 141 Ų | 141 | 149.1 Ų | 149.1 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | | | trans | -89.9 | 21 | 157 | -109.3 | 163.1 | 0 | 0 | 0 | 112.3 | Q98 | L95-Q98 HydrophobicContact CD2-CG 4.26Š|
| 96 | E | 49.4 | Very low | 53.6 | Low | 181 Ų | 181 | 153.9 Ų | 153.9 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -91.1 | -3.4 | -177.6 | -161 | 171.5 | 158.2 | 0 | 0 | 113.3 | | |
| 97 | K | 56.1 | Low | 53.8 | Low | 180 Ų | 180 | 154.4 Ų | 154.4 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | | | trans | -135.6 | 38.7 | -174.9 | -137.4 | -178.6 | -174.1 | -177.7 | 0 | 115.4 | | |
| 98 | Q | 52.1 | Low | 54.5 | Low | 163 Ų | 163 | 148.8 Ų | 148.8 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | | | trans | -95 | 8.2 | 166.4 | -67.1 | -168.6 | 0.7 | 0 | 0 | 113.7 | L95 | L95-Q98 HydrophobicContact CD2-CG 4.26Š|
| 99 | G | 55.8 | Low | 55.1 | Low | 80 Ų | 80 | 148.9 Ų | 148.9 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -85.3 | -2.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 100 | L | 57.6 | Low | 55.9 | Low | 138 Ų | 138 | 149.8 Ų | 149.8 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -126.2 | 14.6 | -163.8 | -150.3 | 110.8 | 0 | 0 | 0 | 116.2 | | |
| 101 | L | 57.2 | Low | 56.4 | Low | 156 Ų | 156 | 151 Ų | 151 | 82% | 0.817 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -141.9 | 60.4 | 179.1 | -71.2 | 175.5 | 0 | 0 | 0 | 113.5 | | |
| 102 | K | 59.3 | Low | 57.1 | Low | 182 Ų | 182 | 147.6 Ų | 147.6 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | | | trans | -149.1 | 66.6 | 146.4 | -68.9 | -163.8 | 179.9 | 170.9 | 0 | 112.6 | Y104 | K102-Y104 VanDerWaalsContact C-N 3.27Š|
| 103 | P | 57 | Low | 57.9 | Low | 87 Ų | 87 | 148.2 Ų | 148.2 | 57% | 0.565 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -77.6 | -13 | 167.9 | 31.2 | -30.5 | 0 | 0 | 0 | 112.8 | | |
| 104 | Y | 55.3 | Low | 58.4 | Low | 179 Ų | 179 | 150.7 Ų | 150.7 | 70% | 0.702 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -90.2 | -5.7 | -174.1 | -69.7 | -78.3 | 0 | 0 | 0 | 115.7 | K102 R106 L107 | K102-Y104 VanDerWaalsContact C-N 3.27Å; Y104-R106 PolarHBondContact O-N 3.04Å; Y104-L107 HydrophobicContact CD1-CD1 3.95Å; Y104-L107 HydrophobicContact CE1-CD1 4.22Å |
| 105 | S | 56.6 | Low | 59.1 | Low | 66 Ų | 66 | 155 Ų | 155 | 46% | 0.462 | 76% | 0.762 | S | S | . | * | G | 310 helix | trans | -74.9 | -11.5 | 177.7 | 50.3 | 0 | 0 | 0 | 0 | 114 | | |
| 106 | R | 57 | Low | 59.8 | Low | 236 Ų | 236 | 157.3 Ų | 157.3 | 89% | 0.891 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -97.7 | -14.5 | 177 | -99.2 | -176.7 | -172.4 | 179.2 | 2.9 | 114.5 | Y104 | Y104-R106 PolarHBondContact O-N 3.04Š|
| 107 | L | 57.1 | Low | 60.5 | Low | 128 Ų | 128 | 156.1 Ų | 156.1 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -84 | -13.1 | -174.3 | -98.6 | 146.8 | 0 | 0 | 0 | 114 | Y104 | Y104-L107 HydrophobicContact CD1-CD1 3.95Å; Y104-L107 HydrophobicContact CE1-CD1 4.22Å |
| 108 | L | 59.8 | Low | 60.7 | Low | 134 Ų | 134 | 155.4 Ų | 155.4 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -105 | 104.5 | 170.3 | -66 | 171.8 | 0 | 0 | 0 | 107.7 | | |
| 109 | G | 57.8 | Low | 61.4 | Low | 68 Ų | 68 | 149.9 Ų | 149.9 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | | | trans | -42.5 | 133.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 110 | I | 64.1 | Low | 61.8 | Low | 157 Ų | 157 | 154.3 Ų | 154.3 | 81% | 0.805 | 75% | 0.75 | S | S | * | * | | | trans | 40.7 | 81.3 | 162.5 | -46.2 | 172.8 | 0 | 0 | 0 | 112.6 | K112 | I110-K112 VanDerWaalsContact C-N 3.31Å; I110-K112 PolarHBondContact O-N 3.14Å |
| 111 | R | 63.6 | Low | 62.2 | Low | 205 Ų | 205 | 149.7 Ų | 149.7 | 77% | 0.774 | 73% | 0.729 | S | S | * | * | | | trans | -62.5 | 99.6 | 162 | -74.7 | -171 | -177.7 | -161.4 | -1.6 | 107.9 | Q113 | R111-Q113 PolarHBondContact O-N 3.19Š|
| 112 | K | 69.8 | Low | 62.5 | Low | 176 Ų | 176 | 149.8 Ų | 149.8 | 77% | 0.765 | 73% | 0.725 | S | S | * | * | | | trans | -52 | 125.8 | 166.1 | -73.2 | -174.6 | 178.1 | -178.4 | 0 | 107.2 | I110 L114 | I110-K112 VanDerWaalsContact C-N 3.31Å; I110-K112 PolarHBondContact O-N 3.14Å; K112-L114 VanDerWaalsContact C-N 3.3Å; K112-L114 PolarHBondContact O-N 3.05Å |
| 113 | Q | 65.1 | Low | 62.8 | Low | 195 Ų | 195 | 145.4 Ų | 145.4 | 91% | 0.911 | 72% | 0.716 | S | S | * | * | | | trans | -71.1 | 92.3 | -179.5 | -154.9 | 175.9 | 21.7 | 0 | 0 | 107.6 | R111 R115 | R111-Q113 PolarHBondContact O-N 3.19Å; Q113-R115 PolarHBondContact O-N 2.99Å |
| 114 | L | 65.9 | Low | 63.1 | Low | 167 Ų | 167 | 150 Ų | 150 | 87% | 0.874 | 73% | 0.728 | S | S | * | * | | | trans | -69.7 | 96.4 | 177.5 | -70.6 | 166.8 | 0 | 0 | 0 | 107.9 | K112 K116 | K112-L114 VanDerWaalsContact C-N 3.3Å; K112-L114 PolarHBondContact O-N 3.05Å; L114-K116 PolarHBondContact O-N 2.94Å |
| 115 | R | 69.3 | Low | 63.3 | Low | 236 Ų | 236 | 151.2 Ų | 151.2 | 89% | 0.891 | 73% | 0.731 | S | S | * | * | | | trans | -71.5 | 110 | 171.4 | -169.3 | 175 | -175 | 172 | 1 | 107.5 | Q113 R117 | Q113-R115 PolarHBondContact O-N 2.99Å; R115-R117 PolarHBondContact O-N 2.91Å; R115-R117 VanDerWaalsContact O-N 3.11Å |
| 116 | K | 68.9 | Low | 63.4 | Low | 190 Ų | 190 | 156.8 Ų | 156.8 | 83% | 0.826 | 75% | 0.747 | S | S | * | * | | | trans | -59.9 | 115.3 | 170.3 | -170.2 | 178.9 | -179 | -175.1 | 0 | 107.6 | L114 N118 | L114-K116 PolarHBondContact O-N 2.94Å; K116-N118 PolarHBondContact O-N 3.35Å |
| 117 | R | 64.7 | Low | 63.7 | Low | 155 Ų | 155 | 154.8 Ų | 154.8 | 59% | 0.585 | 74% | 0.741 | S | S | * | * | | | trans | -70.5 | 113.6 | 175.8 | -157.3 | 169.2 | -175.9 | -162.5 | -2.3 | 106.8 | R115 G119 S121 E122 | R115-R117 PolarHBondContact O-N 2.91Å; R115-R117 VanDerWaalsContact O-N 3.11Å; R117-G119 PolarHBondContact O-N 2.94Å; R117-S121 WeakPolarHBondContact CD-OG 3.24Å; R117-S121 VanDerWaalsContact CG-OG 3.24Å; R117-S121 WeakPolarHBondContact CG-OG 3.3Å; R117-S121 PolarHBondContact NE-OG 2.87Å; R117-S121 PolarHBondContact NH1-O 2.78Å; R117-E122 PolarHBondContact NH1-O 3.04Å |
| 118 | N | 60.5 | Low | 63.7 | Low | 166 Ų | 166 | 154.8 Ų | 154.8 | 89% | 0.888 | 75% | 0.75 | S | S | * | * | | | trans | -83.8 | 107.7 | 176.2 | -161.7 | 45.5 | 0 | 0 | 0 | 107.2 | K116 | K116-N118 PolarHBondContact O-N 3.35Š|
| 119 | G | 67.3 | Low | 63.2 | Low | 46 Ų | 46 | 158.5 Ų | 158.5 | 47% | 0.474 | 78% | 0.778 | S | S | . | * | S | Bend | trans | 116 | 148.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | R117 S121 | R117-G119 PolarHBondContact O-N 2.94Å; G119-S121 WeakPolarHBondContact O-CB 3.44Å; G119-S121 PolarHBondContact O-N 2.97Å; G119-S121 PolarHBondContact O-OG 3.04Å |
| 120 | N | 63.8 | Low | 63.5 | Low | 174 Ų | 174 | 163.1 Ų | 163.1 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | | | trans | -58.4 | 71.6 | 176.5 | 37.5 | -35.4 | 0 | 0 | 0 | 112.3 | | |
| 121 | S | 66.4 | Low | 63.4 | Low | 40 Ų | 40 | 163.4 Ų | 163.4 | 28% | 0.28 | 78% | 0.781 | S | S | . | * | | | trans | -118.2 | 118.2 | -170.4 | 50.1 | 0 | 0 | 0 | 0 | 109.4 | R117 G119 C123 | R117-S121 WeakPolarHBondContact CD-OG 3.24Å; R117-S121 VanDerWaalsContact CG-OG 3.24Å; R117-S121 WeakPolarHBondContact CG-OG 3.3Å; R117-S121 PolarHBondContact NE-OG 2.87Å; R117-S121 PolarHBondContact NH1-O 2.78Å; G119-S121 WeakPolarHBondContact O-CB 3.44Å; G119-S121 PolarHBondContact O-N 2.97Å; G119-S121 PolarHBondContact O-OG 3.04Å; S121-C123 PolarHBondContact O-N 3.1Å |
| 122 | E | 63 | Low | 63.4 | Low | 159 Ų | 159 | 161.1 Ų | 161.1 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | | | trans | -53.9 | 129.5 | -175.6 | -64.9 | 170.5 | -178.7 | 0 | 0 | 110.1 | R117 | R117-E122 PolarHBondContact NH1-O 3.04Š|
| 123 | C | 65.3 | Low | 63.1 | Low | 90 Ų | 90 | 160.2 Ų | 160.2 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | | | trans | -86.6 | 112.7 | 179.8 | -68.9 | 0 | 0 | 0 | 0 | 108.3 | S121 W125 | S121-C123 PolarHBondContact O-N 3.1Å; C123-W125 VanDerWaalsContact C-N 3.34Å; C123-W125 PolarHBondContact O-N 2.82Å |
| 124 | F | 63.3 | Low | 62.9 | Low | 183 Ų | 183 | 158 Ų | 158 | 80% | 0.803 | 77% | 0.774 | S | S | * | * | | | trans | -76.5 | 87.3 | 171 | -73.9 | -86.1 | 0 | 0 | 0 | 109.4 | K126 | F124-K126 PolarHBondContact O-N 3.06Å; F124-K126 VanDerWaalsContact O-N 3.16Å |
| 125 | W | 59.9 | Low | 62.7 | Low | 205 Ų | 205 | 157.4 Ų | 157.4 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | | | trans | -83.8 | 62.7 | 163 | -63.6 | 78.1 | 0 | 0 | 0 | 108.5 | C123 Y127 | C123-W125 VanDerWaalsContact C-N 3.34Å; C123-W125 PolarHBondContact O-N 2.82Å; W125-Y127 HydrophobicContact CE3-CE2 4.15Å |
| 126 | K | 59.7 | Low | 62.3 | Low | 183 Ų | 183 | 151.8 Ų | 151.8 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | | | trans | -106.1 | 89.4 | 173.5 | -143.6 | -179.8 | -174.3 | -176.8 | 0 | 107.4 | F124 | F124-K126 PolarHBondContact O-N 3.06Å; F124-K126 VanDerWaalsContact O-N 3.16Å |
| 127 | Y | 61.9 | Low | 61.8 | Low | 193 Ų | 193 | 148.8 Ų | 148.8 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | | | trans | -82.1 | 130.9 | 160.5 | -66.5 | -78.9 | 0 | 0 | 0 | 107.1 | W125 | W125-Y127 HydrophobicContact CE3-CE2 4.15Š|
| 128 | C | 57.1 | Low | 61.5 | Low | 128 Ų | 128 | 148.3 Ų | 148.3 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | | | trans | -74.8 | 133.1 | 169.1 | -59.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 129 | V | 49.9 | Very low | 61.6 | Low | 213 Ų | 213 | 146.7 Ų | 146.7 | 100% | 1.291 | 76% | 0.757 | S | S | * | * | | | trans | -92.1 | 0 | 161.7 | -178.9 | 0 | 0 | 0 | 0 | 107.4 | | |