| 1 | M | 42.5 | Very low | 41.1 | Very low | 246 Ų | 246 | 133.1 Ų | 133.1 | 100% | 1.212 | 88% | 0.883 | S | S | * | * | | | | 0 | 150.6 | 0 | -70.4 | 71.4 | 171.7 | 0 | 0 | 108.9 | | |
| 2 | G | 36.5 | Very low | 42.7 | Very low | 82 Ų | 82 | 126.8 Ų | 126.8 | 85% | 0.845 | 86% | 0.86 | S | S | * | * | | | trans | -85.2 | 151.9 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 3 | R | 43.2 | Very low | 43.9 | Very low | 261 Ų | 261 | 123.7 Ų | 123.7 | 99% | 0.985 | 84% | 0.836 | S | S | * | * | | | trans | -88.1 | 129.7 | 159.2 | -80.4 | 179.5 | 166.8 | 178.8 | -5.2 | 109 | | |
| 4 | A | 40.8 | Very low | 44.9 | Very low | 105 Ų | 105 | 120.6 Ų | 120.6 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | | | trans | -131.1 | 152.9 | 158.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 5 | G | 36.9 | Very low | 45.8 | Very low | 74 Ų | 74 | 118.4 Ų | 118.4 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | | | cis | -166 | 147.5 | -7.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | G7 | G5-G7 PolarHBondContact O-N 3.44Š|
| 6 | G | 35.4 | Very low | 46.1 | Very low | 86 Ų | 86 | 119.2 Ų | 119.2 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 132.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G8 | G6-G8 PolarHBondContact O-N 3.49Š|
| 7 | G | 37.9 | Very low | 46.7 | Very low | 84 Ų | 84 | 118.6 Ų | 118.6 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 125.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G5 | G5-G7 PolarHBondContact O-N 3.44Š|
| 8 | G | 39.6 | Very low | 47.4 | Very low | 64 Ų | 64 | 118.4 Ų | 118.4 | 66% | 0.66 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 157.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112 | G6 | G6-G8 PolarHBondContact O-N 3.49Š|
| 9 | P | 47.3 | Very low | 47.7 | Very low | 132 Ų | 132 | 120.4 Ų | 120.4 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 139.8 | 177.9 | 27.1 | -34.4 | 0 | 0 | 0 | 111.5 | R11 | P9-R11 PolarHBondContact O-N 2.86Š|
| 10 | G | 42.5 | Very low | 48.3 | Very low | 81 Ų | 81 | 120 Ų | 120 | 84% | 0.835 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 120.9 | -176 | 0 | 0 | 0 | 0 | 0 | 112.6 | G12 | G10-G12 PolarHBondContact O-N 3.39Š|
| 11 | R | 49.8 | Very low | 48.6 | Very low | 249 Ų | 249 | 115.9 Ų | 115.9 | 94% | 0.94 | 74% | 0.735 | S | S | * | * | | | trans | -77 | 103.5 | 172.9 | -162.5 | 177.4 | -163.2 | 166.8 | 4.3 | 108.3 | P9 | P9-R11 PolarHBondContact O-N 2.86Š|
| 12 | G | 59.7 | Low | 49.2 | Very low | 58 Ų | 58 | 106.4 Ų | 106.4 | 60% | 0.598 | 70% | 0.697 | S | S | * | * | | | trans | -55 | 154.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G10 | G10-G12 PolarHBondContact O-N 3.39Š|
| 13 | P | 58.8 | Low | 50.1 | Low | 86 Ų | 86 | 105 Ų | 105 | 56% | 0.558 | 68% | 0.676 | S | S | * | * | | | trans | -65.4 | 156.5 | -174.1 | 27.8 | -35.8 | 0 | 0 | 0 | 112.7 | L17 | P13-L17 HydrophobicContact CB-CD1 4.4Š|
| 14 | P | 58.1 | Low | 50.5 | Low | 81 Ų | 81 | 98.7 Ų | 98.7 | 53% | 0.526 | 66% | 0.662 | S | S | . | * | | | trans | -19.5 | 119.1 | 163.7 | 43.9 | -34.2 | 0 | 0 | 0 | 116.7 | L16 L17 L18 | P14-L16 PolarHBondContact O-N 3.39Å; P14-L16 VanDerWaalsContact O-N 3.17Å; P14-L17 WeakPolarHBondContact O-CB 3.21Å; P14-L17 PolarHBondContact O-N 3.47Å; P14-L18 PolarHBondContact O-N 3.28Å |
| 15 | P | 57.8 | Low | 51.3 | Low | 87 Ų | 87 | 97.2 Ų | 97.2 | 57% | 0.565 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -59 | -29.9 | 167.3 | 23.2 | -31.4 | 0 | 0 | 0 | 111 | L17 L18 F19 | P15-L17 VanDerWaalsContact C-N 3.3Å; P15-L17 PolarHBondContact O-N 3.47Å; P15-L18 PolarHBondContact O-N 2.59Å; P15-L18 VanDerWaalsContact O-N 3.17Å; P15-F19 HydrophobicContact CB-CE2 4.4Å; P15-F19 WeakPolarHBondContact O-CD2 3.42Å; P15-F19 PolarHBondContact O-N 3.31Å |
| 16 | L | 50.9 | Low | 52 | Low | 131 Ų | 131 | 100.7 Ų | 100.7 | 69% | 0.686 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -55 | -36.3 | 167.8 | -97.1 | 157.2 | 0 | 0 | 0 | 114.4 | P14 L20 | P14-L16 PolarHBondContact O-N 3.39Å; P14-L16 VanDerWaalsContact O-N 3.17Å; L16-L20 WeakPolarHBondContact O-CB 3.05Å; L16-L20 VanDerWaalsContact O-CG 3.32Å; L16-L20 WeakPolarHBondContact O-CG 3.24Å; L16-L20 PolarHBondContact O-N 3.12Å |
| 17 | L | 55.9 | Low | 52.5 | Low | 109 Ų | 109 | 100.5 Ų | 100.5 | 57% | 0.571 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -76 | -32.8 | 176.8 | -67 | 175.6 | 0 | 0 | 0 | 111.7 | P13 P14 P15 G21 | P13-L17 HydrophobicContact CB-CD1 4.4Å; P14-L17 WeakPolarHBondContact O-CB 3.21Å; P14-L17 PolarHBondContact O-N 3.47Å; P15-L17 VanDerWaalsContact C-N 3.3Å; P15-L17 PolarHBondContact O-N 3.47Å; L17-G21 PolarHBondContact O-N 3.38Å |
| 18 | L | 59 | Low | 52.9 | Low | 116 Ų | 116 | 100.3 Ų | 100.3 | 61% | 0.607 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.1 | -40.2 | 171.6 | -73.8 | 167.7 | 0 | 0 | 0 | 111.7 | P14 P15 G21 A22 | P14-L18 PolarHBondContact O-N 3.28Å; P15-L18 PolarHBondContact O-N 2.59Å; P15-L18 VanDerWaalsContact O-N 3.17Å; L18-G21 PolarHBondContact O-N 3.41Å; L18-A22 VanDerWaalsContact O-CB 3.27Å; L18-A22 WeakPolarHBondContact O-CB 3.47Å; L18-A22 PolarHBondContact O-N 3.46Å |
| 19 | F | 54.7 | Low | 52.9 | Low | 155 Ų | 155 | 100.1 Ų | 100.1 | 68% | 0.68 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.8 | -41 | 174.4 | -73.6 | -61.9 | 0 | 0 | 0 | 112.7 | P15 A22 A23 | P15-F19 HydrophobicContact CB-CE2 4.4Å; P15-F19 WeakPolarHBondContact O-CD2 3.42Å; P15-F19 PolarHBondContact O-N 3.31Å; F19-A22 PolarHBondContact O-N 2.98Å; F19-A23 WeakPolarHBondContact O-CB 3.4Å; F19-A23 PolarHBondContact O-N 3.28Å |
| 20 | L | 59.4 | Low | 52.5 | Low | 112 Ų | 112 | 96.7 Ų | 96.7 | 59% | 0.586 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.5 | -43 | 173.1 | -77.8 | 165 | 0 | 0 | 0 | 111.9 | L16 A23 L24 | L16-L20 WeakPolarHBondContact O-CB 3.05Å; L16-L20 VanDerWaalsContact O-CG 3.32Å; L16-L20 WeakPolarHBondContact O-CG 3.24Å; L16-L20 PolarHBondContact O-N 3.12Å; L20-A23 PolarHBondContact O-N 3.11Å; L20-L24 WeakPolarHBondContact O-CB 3.46Å; L20-L24 PolarHBondContact O-N 3.46Å |
| 21 | G | 54.9 | Low | 52.1 | Low | 34 Ų | 34 | 99 Ų | 99 | 35% | 0.351 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.3 | -45.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L17 L18 L24 V25 | L17-G21 PolarHBondContact O-N 3.38Å; L18-G21 PolarHBondContact O-N 3.41Å; G21-L24 PolarHBondContact O-N 3.02Å; G21-V25 WeakPolarHBondContact O-CG2 3.31Å; G21-V25 PolarHBondContact O-N 2.98Å |
| 22 | A | 55.2 | Low | 51.5 | Low | 48 Ų | 48 | 92.2 Ų | 92.2 | 40% | 0.397 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.9 | -40.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L18 F19 L24 V25 L26 | L18-A22 VanDerWaalsContact O-CB 3.27Å; L18-A22 WeakPolarHBondContact O-CB 3.47Å; L18-A22 PolarHBondContact O-N 3.46Å; F19-A22 PolarHBondContact O-N 2.98Å; A22-L24 VanDerWaalsContact C-N 3.34Å; A22-L24 PolarHBondContact O-N 3.42Å; A22-V25 PolarHBondContact O-N 2.93Å; A22-L26 WeakPolarHBondContact O-CB 3.34Å; A22-L26 WeakPolarHBondContact O-CG 3.37Å; A22-L26 PolarHBondContact O-N 3.05Å |
| 23 | A | 54.7 | Low | 50.1 | Low | 51 Ų | 51 | 94 Ų | 94 | 42% | 0.421 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62 | -41.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F19 L20 L26 A27 | F19-A23 WeakPolarHBondContact O-CB 3.4Å; F19-A23 PolarHBondContact O-N 3.28Å; L20-A23 PolarHBondContact O-N 3.11Å; A23-L26 PolarHBondContact O-N 3.37Å; A23-A27 VanDerWaalsContact O-CB 3.28Å; A23-A27 WeakPolarHBondContact O-CB 3.5Å; A23-A27 PolarHBondContact O-N 3.11Å |
| 24 | L | 52.1 | Low | 49 | Very low | 129 Ų | 129 | 101.7 Ų | 101.7 | 68% | 0.675 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.5 | -39.1 | 178.1 | -152.4 | 78.8 | 0 | 0 | 0 | 112.5 | L20 G21 A22 A27 S28 | L20-L24 WeakPolarHBondContact O-CB 3.46Å; L20-L24 PolarHBondContact O-N 3.46Å; G21-L24 PolarHBondContact O-N 3.02Å; A22-L24 VanDerWaalsContact C-N 3.34Å; A22-L24 PolarHBondContact O-N 3.42Å; L24-A27 PolarHBondContact O-N 3.18Å; L24-S28 WeakPolarHBondContact O-CB 3.16Å; L24-S28 PolarHBondContact O-N 2.91Å; L24-S28 VanDerWaalsContact O-N 3.11Å; L24-S28 PolarHBondContact O-OG 3.24Å |
| 25 | V | 55.8 | Low | 47.6 | Very low | 75 Ų | 75 | 107 Ų | 107 | 46% | 0.455 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -66.8 | -41.8 | 176 | 169.9 | 0 | 0 | 0 | 0 | 111.5 | G21 A22 S28 | G21-V25 WeakPolarHBondContact O-CG2 3.31Å; G21-V25 PolarHBondContact O-N 2.98Å; A22-V25 PolarHBondContact O-N 2.93Å; V25-S28 PolarHBondContact O-N 3.02Å; V25-S28 PolarHBondContact O-OG 2.87Å |
| 26 | L | 53.1 | Low | 46.3 | Very low | 147 Ų | 147 | 107.7 Ų | 107.7 | 77% | 0.77 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67 | -37.7 | 175.6 | -71 | 169.2 | 0 | 0 | 0 | 112.2 | A22 A23 S28 | A22-L26 WeakPolarHBondContact O-CB 3.34Å; A22-L26 WeakPolarHBondContact O-CG 3.37Å; A22-L26 PolarHBondContact O-N 3.05Å; A23-L26 PolarHBondContact O-N 3.37Å; L26-S28 VanDerWaalsContact C-N 3.3Å; L26-S28 PolarHBondContact O-N 3.41Å |
| 27 | A | 46.1 | Very low | 45.3 | Very low | 81 Ų | 81 | 105.1 Ų | 105.1 | 67% | 0.669 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.7 | -17.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | A23 L24 | A23-A27 VanDerWaalsContact O-CB 3.28Å; A23-A27 WeakPolarHBondContact O-CB 3.5Å; A23-A27 PolarHBondContact O-N 3.11Å; L24-A27 PolarHBondContact O-N 3.18Å |
| 28 | S | 45.5 | Very low | 43.9 | Very low | 80 Ų | 80 | 105.2 Ų | 105.2 | 56% | 0.559 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 6.4 | -178.5 | 51 | 0 | 0 | 0 | 0 | 114.3 | L24 V25 L26 A30 | L24-S28 WeakPolarHBondContact O-CB 3.16Å; L24-S28 PolarHBondContact O-N 2.91Å; L24-S28 VanDerWaalsContact O-N 3.11Å; L24-S28 PolarHBondContact O-OG 3.24Å; V25-S28 PolarHBondContact O-N 3.02Å; V25-S28 PolarHBondContact O-OG 2.87Å; L26-S28 VanDerWaalsContact C-N 3.3Å; L26-S28 PolarHBondContact O-N 3.41Å; S28-A30 PolarHBondContact O-N 3Å; S28-A30 VanDerWaalsContact O-N 3.07Å |
| 29 | G | 40.7 | Very low | 42.5 | Very low | 61 Ų | 61 | 104.4 Ų | 104.4 | 63% | 0.629 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.6 | 7.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | V31 | G29-V31 VanDerWaalsContact C-N 3.34Å; G29-V31 PolarHBondContact O-N 3.43Å |
| 30 | A | 37.3 | Very low | 41.4 | Very low | 60 Ų | 60 | 103 Ų | 103 | 50% | 0.496 | 67% | 0.672 | S | S | . | * | | | trans | -75.6 | 81.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S28 P32 | S28-A30 PolarHBondContact O-N 3Å; S28-A30 VanDerWaalsContact O-N 3.07Å; A30-P32 VanDerWaalsContact O-CD 3.31Å; A30-P32 WeakPolarHBondContact O-CD 3.4Å |
| 31 | V | 34.7 | Very low | 39.9 | Very low | 129 Ų | 129 | 107 Ų | 107 | 78% | 0.782 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -59 | 117.9 | 172.4 | 178.7 | 0 | 0 | 0 | 0 | 109.1 | G29 A33 | G29-V31 VanDerWaalsContact C-N 3.34Å; G29-V31 PolarHBondContact O-N 3.43Å; V31-A33 PolarHBondContact O-N 3.14Å |
| 32 | P | 37.8 | Very low | 38.8 | Very low | 106 Ų | 106 | 109.6 Ų | 109.6 | 69% | 0.688 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 120.1 | 174.6 | 27.7 | -32.6 | 0 | 0 | 0 | 109 | A30 R34 | A30-P32 VanDerWaalsContact O-CD 3.31Å; A30-P32 WeakPolarHBondContact O-CD 3.4Å; P32-R34 PolarHBondContact O-N 3.27Å |
| 33 | A | 30 | Very low | 37.8 | Very low | 97 Ų | 97 | 116.4 Ų | 116.4 | 80% | 0.802 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 124 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V31 E35 | V31-A33 PolarHBondContact O-N 3.14Å; A33-E35 PolarHBondContact O-N 3.27Å |
| 34 | R | 35.8 | Very low | 36.6 | Very low | 247 Ų | 247 | 120.5 Ų | 120.5 | 93% | 0.932 | 74% | 0.739 | S | S | * | * | | | trans | -77 | 95.3 | 175 | -84.9 | -173.4 | 164.2 | 165.6 | -2.8 | 109.9 | P32 A36 | P32-R34 PolarHBondContact O-N 3.27Å; R34-A36 PolarHBondContact O-N 3.02Å |
| 35 | E | 28.6 | Very low | 35.4 | Very low | 192 Ų | 192 | 121.1 Ų | 121.1 | 90% | 0.897 | 74% | 0.743 | S | S | * | * | | | trans | -65.7 | 111.7 | 171.5 | -162 | 171.5 | 157.7 | 0 | 0 | 109.7 | A33 G37 | A33-E35 PolarHBondContact O-N 3.27Å; E35-G37 VanDerWaalsContact C-N 3.35Å; E35-G37 PolarHBondContact O-N 2.95Å |
| 36 | A | 31 | Very low | 34 | Very low | 101 Ų | 101 | 121.9 Ų | 121.9 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | | | trans | -80.7 | 79.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | R34 S38 | R34-A36 PolarHBondContact O-N 3.02Å; A36-S38 PolarHBondContact O-N 2.62Å; A36-S38 VanDerWaalsContact O-N 3.13Å |
| 37 | G | 29.3 | Very low | 32.8 | Very low | 77 Ų | 77 | 124.6 Ų | 124.6 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | | | trans | -61.5 | 109.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E35 | E35-G37 VanDerWaalsContact C-N 3.35Å; E35-G37 PolarHBondContact O-N 2.95Å |
| 38 | S | 26.6 | Very low | 31.9 | Very low | 111 Ų | 111 | 124 Ų | 124 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | | | trans | -76.1 | 130.1 | 176.2 | -177.3 | 0 | 0 | 0 | 0 | 111.4 | A36 | A36-S38 PolarHBondContact O-N 2.62Å; A36-S38 VanDerWaalsContact O-N 3.13Å |
| 39 | A | 29.6 | Very low | 31.1 | Very low | 100 Ų | 100 | 126.3 Ų | 126.3 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | | | trans | -142.7 | 112.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 40 | V | 31.8 | Very low | 30.9 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | | | trans | -105.4 | 120.6 | 174.6 | 171.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 41 | E | 28.4 | Very low | 30.4 | Very low | 195 Ų | 195 | 130.8 Ų | 130.8 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | | | trans | -160.9 | 148 | 142.6 | -112.4 | 170.9 | 116.1 | 0 | 0 | 109.3 | | |
| 42 | A | 31.5 | Very low | 29.8 | Very low | 88 Ų | 88 | 135.5 Ų | 135.5 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | -154.4 | -178 | -172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 43 | E | 33.8 | Very low | 29.2 | Very low | 192 Ų | 192 | 138 Ų | 138 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | | | trans | 74.1 | 141 | -176.6 | -42.4 | -154 | 114 | 0 | 0 | 113.8 | | |
| 44 | E | 29.4 | Very low | 29.6 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 64% | 0.64 | 79% | 0.793 | S | S | * | * | | | cis | -143.2 | -160.5 | -8.9 | -133.5 | -138.1 | 120.6 | 0 | 0 | 107.9 | V46 | E44-V46 WeakPolarHBondContact OE1-CG2 3.18Å; E44-V46 PolarHBondContact OE1-N 3.5Å |
| 45 | L | 26.8 | Very low | 30.2 | Very low | 142 Ų | 142 | 132.7 Ų | 132.7 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | | | cis | -147.5 | 127.5 | 13.7 | -169.4 | 141.2 | 0 | 0 | 0 | 113.3 | | |
| 46 | V | 26.9 | Very low | 30.1 | Very low | 90 Ų | 90 | 128.7 Ų | 128.7 | 55% | 0.545 | 79% | 0.787 | S | S | . | * | | | trans | 6.2 | 137.2 | 151.7 | 166.7 | 0 | 0 | 0 | 0 | 123 | E44 | E44-V46 WeakPolarHBondContact OE1-CG2 3.18Å; E44-V46 PolarHBondContact OE1-N 3.5Å |
| 47 | K | 28.3 | Very low | 30.1 | Very low | 204 Ų | 204 | 130.8 Ų | 130.8 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | | | trans | 69.3 | 147.8 | 158.1 | -79.8 | 165.8 | -176.2 | 173 | 0 | 119.5 | | |
| 48 | G | 25.5 | Very low | 30.2 | Very low | 70 Ų | 70 | 134.5 Ų | 134.5 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | | | cis | 169.9 | 163.9 | -5.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 49 | S | 28.5 | Very low | 30.4 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | | | trans | -100.6 | 142.6 | -176.9 | -50.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 50 | P | 37 | Very low | 30.5 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | | -145.1 | -179.4 | 116.9 | 37.5 | -22.5 | 0 | 0 | 0 | 112.3 | | |
| 51 | A | 26.3 | Very low | 30.5 | Very low | 88 Ų | 88 | 140.6 Ų | 140.6 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | cis | -168.7 | 159.9 | -34.6 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 52 | W | 23.9 | Very low | 30.6 | Very low | 229 Ų | 229 | 139.3 Ų | 139.3 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | | | trans | 34.8 | 116.7 | 165.8 | -83.6 | -46.4 | 0 | 0 | 0 | 122.8 | | |
| 53 | E | 23.6 | Very low | 30.4 | Very low | 159 Ų | 159 | 139.3 Ų | 139.3 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | | | | 33.3 | 163 | 110.9 | -70.6 | -162.7 | 106.7 | 0 | 0 | 123.9 | | |
| 54 | P | 39.8 | Very low | 30 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | | | cis | -126.1 | -120.4 | -21.6 | 26.2 | -0.8 | 0 | 0 | 0 | 113.6 | | |
| 55 | P | 47.8 | Very low | 31.5 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | | | | -124.9 | 171.7 | -115.8 | 40.7 | -23.2 | 0 | 0 | 0 | 116.5 | | |
| 56 | A | 27.5 | Very low | 32.6 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | | | trans | -148.1 | 148 | 160.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 57 | N | 30.7 | Very low | 32.8 | Very low | 144 Ų | 144 | 131.8 Ų | 131.8 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | | | trans | -127 | 140.6 | 179.9 | 175.2 | 30.8 | 0 | 0 | 0 | 108.4 | | |
| 58 | D | 30.6 | Very low | 33 | Very low | 156 Ų | 156 | 127.2 Ų | 127.2 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | | | trans | -153.6 | 157.2 | 165.9 | -130.9 | -33 | 0 | 0 | 0 | 112.7 | | |
| 59 | T | 30.2 | Very low | 33.2 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | trans | -122.8 | 162.7 | -163.5 | 56.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 60 | R | 32.3 | Very low | 33.5 | Very low | 203 Ų | 203 | 129.1 Ų | 129.1 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | | | | 150.7 | 119.6 | 123.4 | -177.7 | 165.2 | -168.3 | 143.7 | 19.4 | 116 | | |
| 61 | E | 32 | Very low | 33.1 | Very low | 146 Ų | 146 | 130.9 Ų | 130.9 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | | | trans | 46.8 | 166 | 143.8 | -60.8 | 176.5 | 150.9 | 0 | 0 | 120.7 | | |
| 62 | E | 30.2 | Very low | 33.5 | Very low | 169 Ų | 169 | 136.1 Ų | 136.1 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | cis | -156.3 | -174.9 | 14 | -142.8 | -104.8 | 99 | 0 | 0 | 112.3 | | |
| 63 | A | 27.7 | Very low | 33.7 | Very low | 88 Ų | 88 | 130.2 Ų | 130.2 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | 88.8 | 133.8 | 160.4 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 64 | G | 25.3 | Very low | 33.8 | Very low | 70 Ų | 70 | 127.4 Ų | 127.4 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | | | trans | -137.3 | -150.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 65 | P | 61.1 | Low | 33.3 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | trans | -104.4 | -164.7 | -144.4 | 45.8 | -42.3 | 0 | 0 | 0 | 114.9 | | |
| 66 | P | 49.1 | Very low | 32.4 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | | | | -121.1 | 176.1 | 57 | 12.5 | 12.1 | 0 | 0 | 0 | 113.8 | | |
| 67 | A | 31.9 | Very low | 32.5 | Very low | 90 Ų | 90 | 132.1 Ų | 132.1 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | | | cis | 99.7 | 148.4 | 8.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 68 | A | 32.4 | Very low | 32.9 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | | | trans | 70.8 | 145.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 69 | G | 28.9 | Very low | 32.7 | Very low | 58 Ų | 58 | 128.2 Ų | 128.2 | 60% | 0.598 | 79% | 0.786 | S | S | * | * | | | cis | -158.9 | 154.9 | -6.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 70 | E | 35.1 | Very low | 32.5 | Very low | 180 Ų | 180 | 126.9 Ų | 126.9 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | | | | 67.2 | 133.6 | 84.6 | -68.1 | 160 | -118 | 0 | 0 | 112.3 | | |
| 71 | D | 29.1 | Very low | 32.2 | Very low | 163 Ų | 163 | 126 Ų | 126 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | | | | -150.5 | 175.6 | 60.5 | -58.3 | -48.5 | 0 | 0 | 0 | 115.2 | | |
| 72 | E | 34.4 | Very low | 32.2 | Very low | 198 Ų | 198 | 127 Ų | 127 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | | | trans | -97.5 | 161.9 | 171.3 | -67.9 | -167.9 | 96.7 | 0 | 0 | 114.9 | | |
| 73 | A | 28.3 | Very low | 32.2 | Very low | 106 Ų | 106 | 123.5 Ų | 123.5 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | | | trans | -157.2 | 151.3 | 157.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 74 | S | 25.7 | Very low | 32.1 | Very low | 99 Ų | 99 | 122.8 Ų | 122.8 | 69% | 0.692 | 81% | 0.811 | S | S | * | * | | | trans | -139.9 | 171.4 | -169.3 | 52.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 75 | W | 30.2 | Very low | 33.1 | Very low | 222 Ų | 222 | 124.6 Ų | 124.6 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | | | trans | 96.5 | 136 | 160.7 | -68 | 105.8 | 0 | 0 | 0 | 123.6 | | |
| 76 | T | 27.4 | Very low | 31.8 | Very low | 126 Ų | 126 | 127 Ų | 127 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | trans | 69.7 | 132.5 | 146.7 | 45 | 0 | 0 | 0 | 0 | 122.4 | | |
| 77 | A | 29 | Very low | 31 | Very low | 92 Ų | 92 | 129 Ų | 129 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | | | trans | -102.2 | 166.5 | 154.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 78 | P | 40.3 | Very low | 30.9 | Very low | 131 Ų | 131 | 130 Ų | 130 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | | | trans | -128.5 | 157.2 | 136.7 | 36.8 | -28.8 | 0 | 0 | 0 | 112.3 | | |
| 79 | G | 25.4 | Very low | 30.8 | Very low | 86 Ų | 86 | 131.7 Ų | 131.7 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | | | trans | -88.7 | -176.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 80 | G | 25.9 | Very low | 30.9 | Very low | 88 Ų | 88 | 135.5 Ų | 135.5 | 91% | 0.907 | 80% | 0.801 | S | S | * | * | | | trans | -163.6 | 128.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 81 | E | 27.8 | Very low | 30.6 | Very low | 185 Ų | 185 | 134.5 Ų | 134.5 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | | | trans | -122.3 | 145.5 | -164.8 | -178.9 | -178.5 | 105.2 | 0 | 0 | 110.4 | | |
| 82 | L | 31.9 | Very low | 30.7 | Very low | 167 Ų | 167 | 131.9 Ų | 131.9 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | trans | 174.6 | 147.3 | 144.5 | -100.7 | 158.2 | 0 | 0 | 0 | 115.9 | | |
| 83 | A | 28.3 | Very low | 30.5 | Very low | 94 Ų | 94 | 127.3 Ų | 127.3 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | | | trans | 75.8 | 117.9 | 151.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 84 | G | 26.1 | Very low | 30.6 | Very low | 73 Ų | 73 | 126.7 Ų | 126.7 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | trans | -90.1 | -140.9 | 155.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 85 | P | 46.9 | Very low | 30.7 | Very low | 108 Ų | 108 | 128 Ų | 128 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | | | cis | -136.1 | -175.2 | 22.5 | 45.3 | -28.5 | 0 | 0 | 0 | 116.1 | | |
| 86 | E | 33.2 | Very low | 30.6 | Very low | 170 Ų | 170 | 124.1 Ų | 124.1 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | | | trans | 21 | 146 | 135.3 | -64.6 | 167 | 133.8 | 0 | 0 | 120.4 | | |
| 87 | E | 32.1 | Very low | 30.7 | Very low | 166 Ų | 166 | 120.9 Ų | 120.9 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | cis | -153.6 | -177.3 | -3.7 | -103.3 | -172.6 | 129.8 | 0 | 0 | 105.3 | | |
| 88 | V | 30.1 | Very low | 30.9 | Very low | 109 Ų | 109 | 123.4 Ų | 123.4 | 66% | 0.661 | 79% | 0.785 | S | S | * | * | | | | 178.3 | 124.7 | 59.8 | 168.1 | 0 | 0 | 0 | 0 | 107.5 | | |
| 89 | L | 30.7 | Very low | 30.3 | Very low | 145 Ų | 145 | 121.8 Ų | 121.8 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | | | trans | 51.7 | 148.5 | 151.7 | -60.5 | 175.7 | 0 | 0 | 0 | 121.1 | | |
| 90 | Q | 30.8 | Very low | 30.5 | Very low | 138 Ų | 138 | 128.7 Ų | 128.7 | 65% | 0.645 | 78% | 0.782 | S | S | * | * | | | cis | -165.3 | 126.3 | -10.2 | -177.8 | 155.4 | 27.5 | 0 | 0 | 106.1 | | |
| 91 | E | 30.1 | Very low | 30.7 | Very low | 158 Ų | 158 | 132.6 Ų | 132.6 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | | | | 61.6 | 142.9 | 102.2 | -140.6 | 177.4 | -176.6 | 0 | 0 | 113.7 | | |
| 92 | S | 30 | Very low | 30.7 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | cis | -138.4 | 156.8 | 28.7 | -49.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 93 | A | 30.8 | Very low | 30.6 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | | | trans | -92.7 | -173.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 94 | A | 29.4 | Very low | 30.6 | Very low | 93 Ų | 93 | 132 Ų | 132 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | trans | -97.9 | -164.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 95 | V | 27.6 | Very low | 30.8 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | | | trans | 99.2 | 135.7 | 163.3 | -175 | 0 | 0 | 0 | 0 | 116.9 | | |
| 96 | T | 28.2 | Very low | 30.6 | Very low | 140 Ų | 140 | 134.2 Ų | 134.2 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | | | trans | 61.6 | 151.1 | 173.7 | 42.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 97 | G | 30.1 | Very low | 30.4 | Very low | 58 Ų | 58 | 129.1 Ų | 129.1 | 60% | 0.598 | 78% | 0.777 | S | S | * | * | | | cis | 145.9 | 130.6 | -8.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 98 | T | 32.9 | Very low | 30.3 | Very low | 146 Ų | 146 | 130 Ų | 130 | 90% | 0.896 | 79% | 0.785 | S | S | * | * | | | trans | 66.3 | 127.8 | 174 | 74.3 | 0 | 0 | 0 | 0 | 118 | | |
| 99 | A | 28 | Very low | 30.2 | Very low | 96 Ų | 96 | 128.5 Ų | 128.5 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | | | trans | -167.9 | 116.5 | 142.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 100 | W | 29 | Very low | 30.1 | Very low | 232 Ų | 232 | 125.3 Ų | 125.3 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | | | trans | -78.9 | 144.6 | 169 | -75.3 | 70.4 | 0 | 0 | 0 | 109.7 | | |
| 101 | L | 30.7 | Very low | 30 | Very low | 169 Ų | 169 | 125.8 Ų | 125.8 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | | | trans | -138.7 | 110 | 162.7 | -82.3 | -179.6 | 0 | 0 | 0 | 110.6 | | |
| 102 | E | 27 | Very low | 30.1 | Very low | 168 Ų | 168 | 124.2 Ų | 124.2 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | -58.1 | 144.6 | 168 | -124 | 82.7 | 134 | 0 | 0 | 111.4 | | |
| 103 | A | 31.3 | Very low | 30.4 | Very low | 99 Ų | 99 | 123.7 Ų | 123.7 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | -136.4 | 140.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 104 | D | 27.1 | Very low | 30.5 | Very low | 166 Ų | 166 | 127.5 Ų | 127.5 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | | | trans | -83.5 | 163.9 | -157.9 | -141.1 | -33.6 | 0 | 0 | 0 | 115.1 | | |
| 105 | S | 31.2 | Very low | 30.9 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | | | trans | -75.1 | -179.6 | 171.1 | -105.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 106 | P | 42.1 | Very low | 30.9 | Very low | 127 Ų | 127 | 125 Ų | 125 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | | | cis | -127.6 | -178.2 | 12.4 | 41.9 | -25.5 | 0 | 0 | 0 | 114.2 | | |
| 107 | G | 28.9 | Very low | 30.8 | Very low | 64 Ų | 64 | 124.5 Ų | 124.5 | 66% | 0.66 | 81% | 0.812 | S | S | * | * | | | cis | 131.4 | 136.9 | -2.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 108 | L | 30.9 | Very low | 30.8 | Very low | 184 Ų | 184 | 124.6 Ų | 124.6 | 96% | 0.963 | 81% | 0.813 | S | S | * | * | | | trans | -157 | 157.4 | 165.2 | -140.1 | 74.3 | 0 | 0 | 0 | 110.5 | | |
| 109 | G | 27 | Very low | 30.8 | Very low | 78 Ų | 78 | 125.5 Ų | 125.5 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | | | trans | -76.7 | 172.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 110 | G | 28.7 | Very low | 31 | Very low | 78 Ų | 78 | 124.1 Ų | 124.1 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | cis | 119.2 | 104.8 | 6.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 111 | V | 29.9 | Very low | 31 | Very low | 148 Ų | 148 | 122.1 Ų | 122.1 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | | | trans | -136.6 | 140.5 | 171.8 | 178.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 112 | T | 30.8 | Very low | 31 | Very low | 124 Ų | 124 | 118.2 Ų | 118.2 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | | | trans | -90.2 | 146.9 | -169.7 | 47.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 113 | A | 36.6 | Very low | 31.3 | Very low | 99 Ų | 99 | 118 Ų | 118 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -74.5 | 151.3 | 152 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 114 | E | 33.5 | Very low | 31.7 | Very low | 181 Ų | 181 | 119.3 Ų | 119.3 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | | | trans | -138.5 | 149.9 | 172.1 | -99.3 | -70.7 | 100.9 | 0 | 0 | 108.7 | | |
| 115 | A | 37.2 | Very low | 31.8 | Very low | 101 Ų | 101 | 115.9 Ų | 115.9 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | | | trans | -131.7 | 143.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 116 | G | 27.8 | Very low | 31.6 | Very low | 67 Ų | 67 | 117.5 Ų | 117.5 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | | | trans | -151.5 | 131.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 117 | S | 27 | Very low | 31 | Very low | 128 Ų | 128 | 119.6 Ų | 119.6 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | | | | 71.6 | 123.9 | 62.4 | -170.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 118 | G | 29.9 | Very low | 30.9 | Very low | 60 Ų | 60 | 125.8 Ų | 125.8 | 62% | 0.619 | 81% | 0.812 | S | S | * | * | | | cis | 170.6 | 163.9 | -1.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 119 | D | 32.2 | Very low | 30.9 | Very low | 166 Ų | 166 | 121.7 Ų | 121.7 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | | | trans | 62.6 | 156.1 | 165.9 | -61 | -45.6 | 0 | 0 | 0 | 119.3 | | |
| 120 | A | 31.9 | Very low | 31.5 | Very low | 67 Ų | 67 | 123.5 Ų | 123.5 | 55% | 0.554 | 80% | 0.803 | S | S | * | * | | | cis | -169.2 | 165.1 | -29.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 121 | Q | 30.4 | Very low | 31.5 | Very low | 190 Ų | 190 | 128.7 Ų | 128.7 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | | | trans | 67.7 | 149.5 | 160.9 | -68.3 | 167.1 | 68.8 | 0 | 0 | 117.9 | | |
| 122 | A | 30.1 | Very low | 31.6 | Very low | 87 Ų | 87 | 129.4 Ų | 129.4 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | | | cis | -158.2 | 159.1 | -15.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 123 | L | 33.9 | Very low | 31.5 | Very low | 164 Ų | 164 | 129.6 Ų | 129.6 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | | | trans | -76.7 | 156.8 | 164.2 | -71 | 170 | 0 | 0 | 0 | 110.9 | | |
| 124 | P | 38.4 | Very low | 31.2 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | | | | -129.1 | 147.9 | 117.6 | 36.5 | -31.5 | 0 | 0 | 0 | 112.6 | | |
| 125 | A | 30.7 | Very low | 31 | Very low | 95 Ų | 95 | 126.4 Ų | 126.4 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | -110.1 | 135.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 126 | T | 26.9 | Very low | 30.6 | Very low | 134 Ų | 134 | 131 Ų | 131 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | | | trans | -143.6 | 125.3 | 163.5 | -44.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 127 | L | 28.7 | Very low | 30.6 | Very low | 172 Ų | 172 | 133.2 Ų | 133.2 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | | | trans | -70.4 | 133.9 | 169 | -75.7 | 155.6 | 0 | 0 | 0 | 110.8 | | |
| 128 | Q | 25.8 | Very low | 30.7 | Very low | 193 Ų | 193 | 134.9 Ų | 134.9 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | | | trans | -146.8 | 127.1 | 146.8 | -75.1 | -156.6 | -2.6 | 0 | 0 | 112.6 | | |
| 129 | A | 30.8 | Very low | 31.1 | Very low | 98 Ų | 98 | 140 Ų | 140 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | | | trans | -161 | 164.4 | 162 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 130 | P | 40.9 | Very low | 31.6 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | | | cis | -114.7 | -162 | -4.1 | 42.2 | -30.1 | 0 | 0 | 0 | 111.5 | | |
| 131 | H | 28.2 | Very low | 32.2 | Very low | 187 Ų | 187 | 140.5 Ų | 140.5 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | | | trans | -134.4 | 125.5 | 157.4 | -147.7 | -64.3 | 0 | 0 | 0 | 110.5 | | |
| 132 | E | 31.3 | Very low | 32.1 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | | | trans | -102.3 | -165.6 | 175.3 | -81.2 | -166.4 | 96.8 | 0 | 0 | 111.4 | | |
| 133 | V | 29 | Very low | 32.2 | Very low | 128 Ų | 128 | 139 Ų | 139 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | | | trans | 82.7 | 123.7 | 168.6 | -176.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 134 | L | 30.6 | Very low | 32.7 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | | | cis | -155.9 | 160.1 | -13.7 | -136.7 | 64.3 | 0 | 0 | 0 | 104.6 | | |
| 135 | G | 29.1 | Very low | 32.2 | Very low | 60 Ų | 60 | 140.2 Ų | 140.2 | 62% | 0.619 | 81% | 0.811 | S | S | * | * | | | cis | 103.3 | 84.1 | 16.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 136 | Q | 28.3 | Very low | 32.2 | Very low | 198 Ų | 198 | 140.2 Ų | 140.2 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | | | trans | -154.5 | 143 | 172.4 | -113.4 | 165.8 | 17.5 | 0 | 0 | 112.3 | | |
| 137 | S | 29.1 | Very low | 32.3 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | | | trans | -147.1 | 138.8 | -177.2 | 172.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 138 | I | 29.1 | Very low | 32.4 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 84% | 0.841 | 81% | 0.805 | S | S | * | * | | | trans | -156.4 | 155.1 | 171.7 | -93.5 | 129.2 | 0 | 0 | 0 | 109.6 | | |
| 139 | M | 38.7 | Very low | 32.7 | Very low | 168 Ų | 168 | 135.4 Ų | 135.4 | 83% | 0.828 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 163.6 | -171.6 | -84.8 | 167.5 | 50.2 | 0 | 0 | 117.1 | | |
| 140 | P | 42.3 | Very low | 32.8 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 158.6 | 173.9 | 34.8 | -37.1 | 0 | 0 | 0 | 113.9 | | |
| 141 | P | 43.1 | Very low | 32.2 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 162.6 | 174.4 | 35.3 | -35 | 0 | 0 | 0 | 113.8 | | |
| 142 | A | 29.7 | Very low | 33.5 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 171 | -162.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 143 | I | 32 | Very low | 34.3 | Very low | 147 Ų | 147 | 129.9 Ų | 129.9 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 147.1 | 163.9 | -61 | 154.6 | 0 | 0 | 0 | 110.7 | | |
| 144 | P | 43.2 | Very low | 34.5 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | trans | -89.6 | 115.5 | 158.3 | 33.2 | -28.4 | 0 | 0 | 0 | 111.4 | | |
| 145 | E | 29.7 | Very low | 35 | Very low | 187 Ų | 187 | 127.4 Ų | 127.4 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | trans | -83.7 | 142.8 | 166.2 | -79.8 | -171.2 | 93.4 | 0 | 0 | 111.8 | | |
| 146 | A | 29.8 | Very low | 35.2 | Very low | 94 Ų | 94 | 130.4 Ų | 130.4 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | | | trans | -175.9 | 156.7 | 134.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 147 | T | 29.2 | Very low | 36 | Very low | 122 Ų | 122 | 127 Ų | 127 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | | | cis | -163.6 | 169.3 | -36.6 | -63 | 0 | 0 | 0 | 0 | 105.2 | | |
| 148 | E | 30.4 | Very low | 35.9 | Very low | 184 Ų | 184 | 125.2 Ų | 125.2 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | trans | 75.6 | 150.3 | 168.1 | -52.4 | -164.9 | 120.1 | 0 | 0 | 117.4 | | |
| 149 | A | 33.2 | Very low | 35.8 | Very low | 93 Ų | 93 | 123.7 Ų | 123.7 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | cis | -159.8 | 157.7 | -27.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 150 | S | 31.1 | Very low | 35.4 | Very low | 128 Ų | 128 | 123.6 Ų | 123.6 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | | | trans | -52.5 | 141.8 | -179 | -44.8 | 0 | 0 | 0 | 0 | 118.1 | | |
| 151 | G | 28.3 | Very low | 34.8 | Very low | 73 Ų | 73 | 125.7 Ų | 125.7 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | | | trans | 115.5 | 140.4 | 137.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 152 | P | 55.9 | Low | 34.2 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | | | trans | -105.7 | -177.4 | 177.7 | 44.1 | -37 | 0 | 0 | 0 | 112.7 | | |
| 153 | P | 48.9 | Very low | 34.7 | Very low | 126 Ų | 126 | 125.9 Ų | 125.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | | -145.3 | 164.9 | 87.4 | 39.5 | -23.7 | 0 | 0 | 0 | 116.2 | | |
| 154 | S | 32.5 | Very low | 34.4 | Very low | 100 Ų | 100 | 123.2 Ų | 123.2 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | | | trans | -76.9 | 177 | 170.3 | -41.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 155 | P | 40.5 | Very low | 33.7 | Very low | 130 Ų | 130 | 122.6 Ų | 122.6 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | | | | -140.9 | 139.5 | 112.8 | 36.9 | -25.1 | 0 | 0 | 0 | 116.2 | | |
| 156 | T | 34.5 | Very low | 33.8 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | | | trans | -85.1 | 171.4 | 158.1 | -3.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 157 | P | 44 | Very low | 34 | Very low | 127 Ų | 127 | 125.5 Ų | 125.5 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | | -145.3 | 174 | 53.1 | 39.4 | -18.4 | 0 | 0 | 0 | 117.6 | | |
| 158 | G | 27.8 | Very low | 34.2 | Very low | 74 Ų | 74 | 125.7 Ų | 125.7 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | | | trans | -178.8 | 92.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 159 | D | 27.6 | Very low | 34.2 | Very low | 131 Ų | 131 | 125.7 Ų | 125.7 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | -54.3 | 158.5 | 173.4 | -81.7 | -89.6 | 0 | 0 | 0 | 114.6 | | |
| 160 | K | 30.1 | Very low | 34 | Very low | 166 Ų | 166 | 130.5 Ų | 130.5 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | | | cis | -178.4 | 173.8 | -9.7 | -176.2 | -170.6 | -130.3 | 114.6 | 0 | 109 | | |
| 161 | L | 28.8 | Very low | 33.8 | Very low | 155 Ų | 155 | 128.9 Ų | 128.9 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | | | trans | 87.2 | 129.7 | 169.3 | -71.3 | 95 | 0 | 0 | 0 | 118.6 | | |
| 162 | S | 30 | Very low | 34 | Very low | 113 Ų | 113 | 131.3 Ų | 131.3 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | | | trans | -126.9 | 175.7 | 155.4 | -36 | 0 | 0 | 0 | 0 | 105.9 | | |
| 163 | P | 41.8 | Very low | 33 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | | | cis | -149.4 | -171.8 | 45.4 | 42.4 | -20.9 | 0 | 0 | 0 | 117.5 | | |
| 164 | A | 24.4 | Very low | 32.2 | Very low | 91 Ų | 91 | 135 Ų | 135 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | | | trans | 97.4 | 147.5 | 149.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 165 | S | 28.8 | Very low | 32.3 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | | | trans | 79.6 | 82.7 | 157.2 | -54.1 | 0 | 0 | 0 | 0 | 121 | | |
| 166 | E | 31.8 | Very low | 31.9 | Very low | 199 Ų | 199 | 139.8 Ų | 139.8 | 93% | 0.93 | 79% | 0.788 | S | S | * | * | | | | 37 | 165.6 | 125.2 | -56.7 | -165.1 | 145.8 | 0 | 0 | 124.8 | | |
| 167 | L | 35 | Very low | 31.9 | Very low | 143 Ų | 143 | 141.5 Ų | 141.5 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | | | trans | -57.8 | 157.1 | -168.3 | -142.8 | 80.7 | 0 | 0 | 0 | 116.4 | K169 | L167-K169 HydrophobicContact CD2-CB 3.84Š|
| 168 | P | 33.1 | Very low | 31.3 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | | -137.1 | 178.7 | 106.2 | 39.1 | -29.2 | 0 | 0 | 0 | 114.7 | | |
| 169 | K | 29.2 | Very low | 31.5 | Very low | 183 Ų | 183 | 146.5 Ų | 146.5 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | | | trans | -149.5 | 111.3 | -162.8 | 174 | -170.1 | 178.7 | -175.9 | 0 | 112.8 | L167 | L167-K169 HydrophobicContact CD2-CB 3.84Š|
| 170 | E | 29.4 | Very low | 31.6 | Very low | 195 Ų | 195 | 144.3 Ų | 144.3 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | | | trans | -172.7 | 161.7 | 170 | -107.5 | 169.4 | -172 | 0 | 0 | 107.9 | | |
| 171 | S | 27.8 | Very low | 31.4 | Very low | 93 Ų | 93 | 140.1 Ų | 140.1 | 65% | 0.65 | 81% | 0.805 | S | S | * | * | | | cis | -155.7 | 159 | -6 | 53.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 172 | P | 31.9 | Very low | 31.5 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 149.2 | 163.2 | 35 | -30.6 | 0 | 0 | 0 | 111.5 | | |
| 173 | L | 35.1 | Very low | 31.8 | Very low | 165 Ų | 165 | 139.8 Ų | 139.8 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 135.8 | -168.8 | -64.7 | 165.3 | 0 | 0 | 0 | 114 | | |
| 174 | E | 32.6 | Very low | 31.5 | Very low | 159 Ų | 159 | 139.8 Ų | 139.8 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 139.9 | 162.6 | -65.2 | -171.8 | 173.1 | 0 | 0 | 111.1 | W176 | E174-W176 PolarHBondContact OE2-NE1 2.83Š|
| 175 | V | 33.6 | Very low | 31.7 | Very low | 134 Ų | 134 | 143 Ų | 143 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | | | trans | -118.6 | 105.2 | 169.8 | 177.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 176 | W | 33.3 | Very low | 32.6 | Very low | 196 Ų | 196 | 142.9 Ų | 142.9 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | | | trans | -78.9 | 126.5 | 179.7 | -84.3 | 67.6 | 0 | 0 | 0 | 112.1 | E174 N178 | E174-W176 PolarHBondContact OE2-NE1 2.83Å; W176-N178 PolarHBondContact O-N 2.9Å; W176-N178 PolarHBondContact O-ND2 3.03Å |
| 177 | L | 33.8 | Very low | 32.7 | Very low | 159 Ų | 159 | 142.9 Ų | 142.9 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | | | trans | -79.8 | 115.9 | 170.9 | -74.7 | 169.8 | 0 | 0 | 0 | 110.3 | | |
| 178 | N | 31.7 | Very low | 32.4 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 78% | 0.781 | 81% | 0.813 | S | S | * | * | | | trans | -97.3 | 119.1 | 175 | -75.9 | -91.7 | 0 | 0 | 0 | 110.2 | W176 | W176-N178 PolarHBondContact O-N 2.9Å; W176-N178 PolarHBondContact O-ND2 3.03Å |
| 179 | L | 30.9 | Very low | 33.1 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | | | trans | -123 | 118.5 | 165.6 | -91.6 | 81.9 | 0 | 0 | 0 | 110.6 | | |
| 180 | G | 30.7 | Very low | 33.3 | Very low | 85 Ų | 85 | 139.4 Ų | 139.4 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | | | trans | 53.7 | 62.2 | 147.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 181 | G | 25.3 | Very low | 33.4 | Very low | 77 Ų | 77 | 138 Ų | 138 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | | | trans | -93 | 110.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 182 | S | 32 | Very low | 33.5 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 129.8 | 173.8 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 183 | T | 36.3 | Very low | 33.6 | Very low | 138 Ų | 138 | 142.8 Ų | 142.8 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 134.4 | 179.6 | 36.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 184 | P | 35.3 | Very low | 34.1 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 141.4 | 161.9 | 34.4 | -30.6 | 0 | 0 | 0 | 112 | | |
| 185 | D | 29.2 | Very low | 33.9 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 142.7 | 174.7 | -175.1 | 45.8 | 0 | 0 | 0 | 110.8 | | |
| 186 | P | 47.3 | Very low | 33.9 | Very low | 111 Ų | 111 | 145.8 Ų | 145.8 | 72% | 0.721 | 82% | 0.819 | S | S | * | * | | | trans | -118.7 | 88.6 | -166 | 39.2 | -26.4 | 0 | 0 | 0 | 115.9 | | |
| 187 | Q | 32.8 | Very low | 33.9 | Very low | 198 Ų | 198 | 139.9 Ų | 139.9 | 93% | 0.925 | 82% | 0.819 | S | S | * | * | | | trans | -150.1 | 142.8 | 155.2 | -69.2 | -159.8 | 14.3 | 0 | 0 | 112.9 | | |
| 188 | G | 29 | Very low | 33.9 | Very low | 76 Ų | 76 | 139.6 Ų | 139.6 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | | | trans | 131.1 | 130.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 189 | P | 48.1 | Very low | 34 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 81% | 0.812 | 83% | 0.827 | S | S | * | * | | | trans | -107.8 | 151.9 | -167.8 | 39.2 | -34.9 | 0 | 0 | 0 | 117.4 | | |
| 190 | E | 33 | Very low | 34 | Very low | 180 Ų | 180 | 140.7 Ų | 140.7 | 84% | 0.841 | 82% | 0.824 | S | S | * | * | | | trans | 49.6 | 116.1 | 138.6 | -164.2 | 179 | 153.7 | 0 | 0 | 121.5 | | |
| 191 | L | 31 | Very low | 34.2 | Very low | 164 Ų | 164 | 142.6 Ų | 142.6 | 86% | 0.859 | 82% | 0.821 | S | S | * | * | | | trans | -152.8 | 94.2 | 149.2 | -148.4 | 138.3 | 0 | 0 | 0 | 114.8 | | |
| 192 | T | 31.1 | Very low | 34.6 | Very low | 98 Ų | 98 | 147.2 Ų | 147.2 | 60% | 0.601 | 82% | 0.822 | S | S | * | * | | | trans | 49.6 | 97.6 | 135.8 | -47.2 | 0 | 0 | 0 | 0 | 122.2 | | |
| 193 | Y | 33.9 | Very low | 34.8 | Very low | 222 Ų | 222 | 146.5 Ų | 146.5 | 87% | 0.871 | 81% | 0.814 | S | S | * | * | | | trans | 59.5 | 164.1 | 134.9 | -84.3 | -96.9 | 0 | 0 | 0 | 120.6 | | |
| 194 | P | 45.9 | Very low | 34.8 | Very low | 102 Ų | 102 | 144.1 Ų | 144.1 | 66% | 0.662 | 81% | 0.809 | S | S | * | * | | | | -125.1 | 173 | -70.9 | 39.6 | -24 | 0 | 0 | 0 | 112.7 | | |
| 195 | F | 27.7 | Very low | 34.8 | Very low | 221 Ų | 221 | 143.4 Ų | 143.4 | 97% | 0.969 | 81% | 0.807 | S | S | * | * | | | trans | -139.3 | 140.4 | 154.2 | -106.4 | -83.3 | 0 | 0 | 0 | 111.3 | | |
| 196 | Q | 34.7 | Very low | 35.4 | Very low | 197 Ų | 197 | 143.1 Ų | 143.1 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | | | trans | -146.4 | 126 | -178.2 | -178.1 | 177 | 5.6 | 0 | 0 | 108.3 | | |
| 197 | G | 31.9 | Very low | 35.6 | Very low | 73 Ų | 73 | 144.7 Ų | 144.7 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | | | trans | 155.2 | 80.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 198 | T | 33.5 | Very low | 36.4 | Very low | 152 Ų | 152 | 142.1 Ų | 142.1 | 93% | 0.933 | 80% | 0.797 | S | S | * | * | | | trans | -68.9 | 133.5 | 166.5 | -43.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 199 | L | 34 | Very low | 37 | Very low | 163 Ų | 163 | 145.3 Ų | 145.3 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | | | trans | -137.8 | 141.1 | 168.2 | -160.2 | 144.2 | 0 | 0 | 0 | 109.7 | | |
| 200 | E | 31.2 | Very low | 37.1 | Very low | 168 Ų | 168 | 146.1 Ų | 146.1 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | -92.7 | 135.9 | -162.8 | -165.4 | 162.8 | 87.6 | 0 | 0 | 112 | Q202 | E200-Q202 PolarHBondContact O-N 2.9Š|
| 201 | P | 36.1 | Very low | 37.8 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | | | trans | -72.1 | 113.1 | -179.7 | -17.3 | 31.6 | 0 | 0 | 0 | 112.6 | | |
| 202 | Q | 32.1 | Very low | 38.1 | Very low | 175 Ų | 175 | 147.7 Ų | 147.7 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 139.3 | 161.7 | -78.6 | -87.2 | -9.3 | 0 | 0 | 109.8 | E200 | E200-Q202 PolarHBondContact O-N 2.9Š|
| 203 | P | 36.5 | Very low | 38.4 | Very low | 107 Ų | 107 | 152.6 Ų | 152.6 | 70% | 0.695 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 127.2 | 172.7 | 30.1 | -32.7 | 0 | 0 | 0 | 110.5 | | |
| 204 | A | 36.4 | Very low | 38.9 | Very low | 88 Ų | 88 | 150.8 Ų | 150.8 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 135.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 205 | S | 35.4 | Very low | 38.5 | Very low | 108 Ų | 108 | 148.5 Ų | 148.5 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | trans | -105 | 94.8 | 175.1 | -64.3 | 0 | 0 | 0 | 0 | 109.2 | I207 | S205-I207 PolarHBondContact O-N 3.26Š|
| 206 | D | 42.8 | Very low | 39.1 | Very low | 154 Ų | 154 | 147 Ų | 147 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | | | trans | -72.5 | 91.2 | 177.2 | -65.6 | -31.1 | 0 | 0 | 0 | 110.4 | | |
| 207 | I | 50.1 | Low | 39.3 | Very low | 143 Ų | 143 | 144.9 Ų | 144.9 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | | | trans | -84.8 | 125.3 | 160.9 | -70 | 178.2 | 0 | 0 | 0 | 107.3 | S205 D209 | S205-I207 PolarHBondContact O-N 3.26Å; I207-D209 PolarHBondContact O-N 3.23Å |
| 208 | I | 50.8 | Low | 39.9 | Very low | 144 Ų | 144 | 145.2 Ų | 145.2 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | | | trans | -84.2 | 101 | 175.3 | -57.1 | 169.9 | 0 | 0 | 0 | 107.4 | I210 | I208-I210 HydrophobicContact CG2-CG1 4.34Š|
| 209 | D | 41.6 | Very low | 40.1 | Very low | 143 Ų | 143 | 147.1 Ų | 147.1 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | | | trans | -65.2 | 135 | 162.2 | -81.6 | -48.2 | 0 | 0 | 0 | 109.2 | I207 | I207-D209 PolarHBondContact O-N 3.23Š|
| 210 | I | 48.8 | Very low | 40.2 | Very low | 143 Ų | 143 | 141.7 Ų | 141.7 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | | | trans | -109.2 | 104.2 | 177.2 | -68.6 | 175.3 | 0 | 0 | 0 | 106.9 | I208 Y212 | I208-I210 HydrophobicContact CG2-CG1 4.34Å; I210-Y212 PolarHBondContact O-N 3.03Å |
| 211 | D | 48.7 | Very low | 40.5 | Very low | 161 Ų | 161 | 145.8 Ų | 145.8 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | | | trans | -61.5 | 106.8 | 175.2 | -68.2 | -43.6 | 0 | 0 | 0 | 109.7 | | |
| 212 | Y | 37 | Very low | 40.4 | Very low | 216 Ų | 216 | 144 Ų | 144 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | | | trans | -76.9 | 137.5 | 178 | -148.5 | -93.8 | 0 | 0 | 0 | 109.6 | I210 E214 | I210-Y212 PolarHBondContact O-N 3.03Å; Y212-E214 PolarHBondContact O-N 3.44Å |
| 213 | F | 37.5 | Very low | 40.7 | Very low | 200 Ų | 200 | 140.5 Ų | 140.5 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | | | trans | -65 | 109.6 | -172.5 | -140.7 | -90.7 | 0 | 0 | 0 | 110.8 | G215 | F213-G215 PolarHBondContact O-N 3.24Š|
| 214 | E | 45.4 | Very low | 40.6 | Very low | 184 Ų | 184 | 142 Ų | 142 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | | | trans | -71.8 | 118 | 179.8 | -165.1 | 162.2 | -132 | 0 | 0 | 109.7 | Y212 | Y212-E214 PolarHBondContact O-N 3.44Š|
| 215 | G | 36.9 | Very low | 40.7 | Very low | 55 Ų | 55 | 145.3 Ų | 145.3 | 57% | 0.567 | 80% | 0.802 | S | S | * | * | | | trans | -75.9 | 142.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F213 D217 | F213-G215 PolarHBondContact O-N 3.24Å; G215-D217 PolarHBondContact O-N 3.42Å |
| 216 | L | 39.4 | Very low | 40.7 | Very low | 190 Ų | 190 | 143.5 Ų | 143.5 | 100% | 0.995 | 80% | 0.8 | S | S | * | * | | | trans | -59.9 | 96.4 | -179.5 | -72.5 | 160 | 0 | 0 | 0 | 112.9 | | |
| 217 | D | 39.8 | Very low | 40.4 | Very low | 152 Ų | 152 | 141.9 Ų | 141.9 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | | | trans | -99.6 | 133.8 | 153.4 | 72 | -30.6 | 0 | 0 | 0 | 110.5 | G215 | G215-D217 PolarHBondContact O-N 3.42Š|
| 218 | G | 44.3 | Very low | 39.6 | Very low | 79 Ų | 79 | 144.6 Ų | 144.6 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | | | trans | -111.5 | 127.2 | -166.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 219 | E | 37.4 | Very low | 39.3 | Very low | 193 Ų | 193 | 143.8 Ų | 143.8 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | | | trans | -143.4 | 140.8 | 153.3 | -171.1 | 51.5 | -93.1 | 0 | 0 | 110 | | |
| 220 | G | 36 | Very low | 39 | Very low | 49 Ų | 49 | 140.4 Ų | 140.4 | 51% | 0.505 | 81% | 0.811 | S | S | . | * | | | trans | -91.7 | 152.9 | -154.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 221 | R | 37.1 | Very low | 38.3 | Very low | 254 Ų | 254 | 139.3 Ų | 139.3 | 96% | 0.958 | 82% | 0.816 | S | S | * | * | | | trans | -153.7 | 124.1 | 146.1 | -97.1 | 129 | -158.9 | -71.1 | -2.8 | 109.8 | | |
| 222 | G | 35.1 | Very low | 38 | Very low | 85 Ų | 85 | 138 Ų | 138 | 88% | 0.876 | 82% | 0.816 | S | S | * | * | | | trans | -96.8 | 140.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 223 | A | 37.3 | Very low | 37.8 | Very low | 103 Ų | 103 | 130.8 Ų | 130.8 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | | | trans | -163.7 | 144.5 | 148.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 224 | D | 35.9 | Very low | 37.7 | Very low | 137 Ų | 137 | 128.4 Ų | 128.4 | 73% | 0.733 | 81% | 0.809 | S | S | * | * | | | cis | -176.6 | 139.9 | -23.9 | -169 | 16.3 | 0 | 0 | 0 | 103.5 | | |
| 225 | L | 36.9 | Very low | 37.2 | Very low | 159 Ų | 159 | 125.3 Ų | 125.3 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | | | trans | 53.4 | 110.9 | 171.5 | -50.9 | -176.9 | 0 | 0 | 0 | 120.4 | | |
| 226 | G | 35 | Very low | 37.4 | Very low | 70 Ų | 70 | 131.5 Ų | 131.5 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | | | trans | -167.3 | 77.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F228 | G226-F228 PolarHBondContact O-N 3.2Š|
| 227 | S | 37.6 | Very low | 37.1 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -70 | 126 | -167.5 | -53.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 228 | F | 34 | Very low | 36.7 | Very low | 200 Ų | 200 | 130.6 Ų | 130.6 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -74 | 140.6 | 163.7 | -76.7 | -99.5 | 0 | 0 | 0 | 111 | G226 | G226-F228 PolarHBondContact O-N 3.2Š|
| 229 | P | 43.2 | Very low | 36.8 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 125.7 | 169.5 | 30.1 | -32.5 | 0 | 0 | 0 | 110.5 | | |
| 230 | G | 34.7 | Very low | 36.6 | Very low | 72 Ų | 72 | 129.3 Ų | 129.3 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 155.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 231 | S | 35.8 | Very low | 36.6 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 136.5 | 179.6 | -49.3 | 0 | 0 | 0 | 0 | 113 | | |
| 232 | P | 42 | Very low | 36.6 | Very low | 133 Ų | 133 | 131 Ų | 131 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 125.5 | 169 | 30.8 | -32.1 | 0 | 0 | 0 | 110.4 | | |
| 233 | G | 32.9 | Very low | 36.8 | Very low | 65 Ų | 65 | 129.8 Ų | 129.8 | 67% | 0.67 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 141.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 234 | T | 35.7 | Very low | 37.2 | Very low | 149 Ų | 149 | 133.9 Ų | 133.9 | 91% | 0.914 | 81% | 0.805 | S | S | * | * | | | trans | 36.1 | 111.8 | 149.6 | 58.4 | 0 | 0 | 0 | 0 | 119.2 | | |
| 235 | S | 34.1 | Very low | 37.3 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | | | trans | -138.3 | 126.3 | 148.9 | 58.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 236 | E | 41.2 | Very low | 37.8 | Very low | 184 Ų | 184 | 131 Ų | 131 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | -68.5 | 145 | 178.4 | -67.3 | 153.3 | 77.2 | 0 | 0 | 112 | | |
| 237 | N | 32.8 | Very low | 38.2 | Very low | 164 Ų | 164 | 133.2 Ų | 133.2 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | | | trans | -173.9 | 105.2 | 143.3 | -99.2 | -70.2 | 0 | 0 | 0 | 109 | | |
| 238 | H | 32.6 | Very low | 38.5 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | | | trans | -81.3 | 148.3 | 160.7 | -99.7 | -114.3 | 0 | 0 | 0 | 108.5 | D240 | H238-D240 IonicContact CE1-OD1 2.86Å; H238-D240 IonicContact CG-OD1 3.72Å; H238-D240 IonicContact ND1-OD1 2.58Å; H238-D240 PolarHBondContact ND1-OD1 2.95Å |
| 239 | P | 44.7 | Very low | 39.2 | Very low | 121 Ų | 121 | 131.9 Ų | 131.9 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | | | | -136 | 137.1 | 81.9 | 36.6 | -22.8 | 0 | 0 | 0 | 115.9 | | |
| 240 | D | 33.9 | Very low | 39.6 | Very low | 124 Ų | 124 | 133.5 Ų | 133.5 | 66% | 0.663 | 79% | 0.788 | S | S | * | * | | | trans | -10.5 | 137.2 | 156.5 | -36.2 | -38.1 | 0 | 0 | 0 | 118.6 | H238 | H238-D240 IonicContact CE1-OD1 2.86Å; H238-D240 IonicContact CG-OD1 3.72Å; H238-D240 IonicContact ND1-OD1 2.58Å; H238-D240 PolarHBondContact ND1-OD1 2.95Å |
| 241 | T | 35.4 | Very low | 40.4 | Very low | 142 Ų | 142 | 137 Ų | 137 | 87% | 0.871 | 79% | 0.789 | S | S | * | * | | | trans | -146 | 128.4 | 150.2 | -64.5 | 0 | 0 | 0 | 0 | 107.3 | | |
| 242 | E | 38.7 | Very low | 41.2 | Very low | 197 Ų | 197 | 136.4 Ų | 136.4 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | | | trans | -73.7 | 146.1 | -172.4 | -63 | 167.2 | 115.1 | 0 | 0 | 112.5 | | |
| 243 | G | 38 | Very low | 41.5 | Very low | 60 Ų | 60 | 136.9 Ų | 136.9 | 62% | 0.619 | 77% | 0.771 | S | S | * | * | | | trans | 166.3 | 116.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | T245 | G243-T245 PolarHBondContact O-N 2.98Š|
| 244 | E | 46.1 | Very low | 42.3 | Very low | 188 Ų | 188 | 143.1 Ų | 143.1 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | | | trans | -68.4 | 128.8 | -169.8 | -61.7 | 96 | 129.7 | 0 | 0 | 113.7 | | |
| 245 | T | 37.8 | Very low | 42.8 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | trans | -123.6 | 115.1 | 160.6 | 49.2 | 0 | 0 | 0 | 0 | 109.5 | G243 S247 | G243-T245 PolarHBondContact O-N 2.98Å; T245-S247 PolarHBondContact O-N 3.3Å |
| 246 | P | 47.2 | Very low | 43.6 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | | | trans | -62.7 | 123.5 | 175.5 | -25.1 | 35.5 | 0 | 0 | 0 | 111.4 | W248 | P246-W248 PolarHBondContact O-N 3.06Š|
| 247 | S | 42.9 | Very low | 43.7 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | | | trans | -76.6 | 89.1 | 179.9 | 57.2 | 0 | 0 | 0 | 0 | 111.3 | T245 S249 | T245-S247 PolarHBondContact O-N 3.3Å; S247-S249 PolarHBondContact O-N 2.86Å |
| 248 | W | 45 | Very low | 44.6 | Very low | 222 Ų | 222 | 141.6 Ų | 141.6 | 84% | 0.841 | 76% | 0.755 | S | S | * | * | | | trans | -74.4 | 110.3 | 166.6 | -68.1 | 96.1 | 0 | 0 | 0 | 109.5 | P246 | P246-W248 PolarHBondContact O-N 3.06Š|
| 249 | S | 48.6 | Very low | 45.6 | Very low | 69 Ų | 69 | 138.5 Ų | 138.5 | 48% | 0.483 | 75% | 0.749 | S | S | . | * | | | trans | -63.6 | 132 | 175.6 | 2 | 0 | 0 | 0 | 0 | 110.2 | S247 L251 D252 | S247-S249 PolarHBondContact O-N 2.86Å; S249-L251 PolarHBondContact O-N 3.02Å; S249-D252 VanDerWaalsContact CB-OD2 3.24Å; S249-D252 WeakPolarHBondContact CB-OD2 3.2Å; S249-D252 PolarHBondContact O-N 3.15Å; S249-D252 PolarHBondContact OG-OD2 3.21Å |
| 250 | L | 51.8 | Low | 45.5 | Very low | 160 Ų | 160 | 142.3 Ų | 142.3 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -1.9 | 176.9 | -171.2 | 133.6 | 0 | 0 | 0 | 113.6 | | |
| 251 | L | 51.3 | Low | 46.2 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -27.5 | 178.7 | -157.2 | 65.1 | 0 | 0 | 0 | 112.8 | S249 L253 | S249-L251 PolarHBondContact O-N 3.02Å; L251-L253 VanDerWaalsContact C-N 3.3Å; L251-L253 PolarHBondContact O-N 3.41Å |
| 252 | D | 52 | Low | 46.9 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 57% | 0.572 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -3.6 | -175.8 | -55.4 | -61.4 | 0 | 0 | 0 | 113.6 | S249 | S249-D252 VanDerWaalsContact CB-OD2 3.24Å; S249-D252 WeakPolarHBondContact CB-OD2 3.2Å; S249-D252 PolarHBondContact O-N 3.15Å; S249-D252 PolarHBondContact OG-OD2 3.21Å |
| 253 | L | 49 | Very low | 47.6 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | 0.2 | 179.4 | -166.9 | 58.6 | 0 | 0 | 0 | 113.1 | L251 | L251-L253 VanDerWaalsContact C-N 3.3Å; L251-L253 PolarHBondContact O-N 3.41Å |
| 254 | Y | 50.5 | Low | 48.2 | Very low | 197 Ų | 197 | 142.6 Ų | 142.6 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -107.6 | 3.2 | -174.6 | -104.1 | -79.9 | 0 | 0 | 0 | 114.9 | | |
| 255 | D | 46.1 | Very low | 48.3 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -106.5 | -3.7 | -176.1 | -139.6 | 32.2 | 0 | 0 | 0 | 113.4 | | |
| 256 | D | 50.2 | Low | 48.5 | Very low | 141 Ų | 141 | 145.6 Ų | 145.6 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -101.3 | 23.5 | -177.6 | -160.4 | 29.3 | 0 | 0 | 0 | 113.1 | | |
| 257 | F | 43.7 | Very low | 48.4 | Very low | 178 Ų | 178 | 145.9 Ų | 145.9 | 78% | 0.781 | 74% | 0.739 | S | S | * | * | | | trans | -138.4 | 66.9 | 174.2 | -78.3 | -74.3 | 0 | 0 | 0 | 111.7 | P259 | F257-P259 WeakPolarHBondContact O-CD 3.1Š|
| 258 | T | 50.7 | Low | 48.3 | Very low | 123 Ų | 123 | 146 Ų | 146 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | | | trans | -105.7 | 89.2 | 157.1 | 53.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 259 | P | 54 | Low | 48.4 | Very low | 93 Ų | 93 | 142.1 Ų | 142.1 | 60% | 0.604 | 74% | 0.736 | S | S | * | * | | | trans | -76.6 | 129.2 | 178.9 | -10.1 | 28.4 | 0 | 0 | 0 | 110.3 | F257 | F257-P259 WeakPolarHBondContact O-CD 3.1Š|
| 260 | F | 43.1 | Very low | 48.4 | Very low | 201 Ų | 201 | 143.2 Ų | 143.2 | 88% | 0.882 | 74% | 0.744 | S | S | * | * | | | trans | 71.1 | 115 | 177.9 | -48.2 | -76.4 | 0 | 0 | 0 | 114.8 | | |
| 261 | D | 47.3 | Very low | 48.3 | Very low | 114 Ų | 114 | 144 Ų | 144 | 61% | 0.61 | 74% | 0.741 | S | S | * | * | | | trans | -79.5 | 131.1 | 162.3 | -175.5 | 45.8 | 0 | 0 | 0 | 108.5 | S263 | D261-S263 PolarHBondContact O-N 2.8Å; D261-S263 VanDerWaalsContact O-N 3.15Å; D261-S263 WeakPolarHBondContact OD2-CB 3.36Å; D261-S263 PolarHBondContact OD2-OG 2.76Å |
| 262 | E | 50.7 | Low | 48 | Very low | 185 Ų | 185 | 146.9 Ų | 146.9 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -79.2 | 2.5 | -169.7 | -147.3 | 155.3 | 118 | 0 | 0 | 113 | | |
| 263 | S | 53 | Low | 47.8 | Very low | 80 Ų | 80 | 149.2 Ų | 149.2 | 56% | 0.559 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -69 | -35.5 | 174.9 | -49.9 | 0 | 0 | 0 | 0 | 114 | D261 F265 | D261-S263 PolarHBondContact O-N 2.8Å; D261-S263 VanDerWaalsContact O-N 3.15Å; D261-S263 WeakPolarHBondContact OD2-CB 3.36Å; D261-S263 PolarHBondContact OD2-OG 2.76Å; S263-F265 VanDerWaalsContact C-N 3.27Å; S263-F265 PolarHBondContact O-N 3.4Å |
| 264 | D | 51.8 | Low | 47.8 | Very low | 151 Ų | 151 | 149.6 Ų | 149.6 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -78.1 | -2.4 | -165.6 | -83.4 | -13.8 | 0 | 0 | 0 | 114.6 | | |
| 265 | F | 47.8 | Very low | 47.7 | Very low | 183 Ų | 183 | 147.7 Ų | 147.7 | 80% | 0.803 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -96.6 | 1.1 | -173.3 | -150.2 | -100.2 | 0 | 0 | 0 | 115.5 | S263 | S263-F265 VanDerWaalsContact C-N 3.27Å; S263-F265 PolarHBondContact O-N 3.4Å |
| 266 | Y | 42.3 | Very low | 47.7 | Very low | 199 Ų | 199 | 148.6 Ų | 148.6 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | | | trans | -109.9 | 109.8 | 173.8 | -88.5 | -86.2 | 0 | 0 | 0 | 112.1 | T268 | Y266-T268 PolarHBondContact O-N 3.27Š|
| 267 | P | 44.2 | Very low | 47.6 | Very low | 110 Ų | 110 | 151 Ų | 151 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | | | trans | -59.5 | 119 | 161 | -18 | 31.3 | 0 | 0 | 0 | 108.7 | T269 | P267-T269 PolarHBondContact O-N 3.22Š|
| 268 | T | 41.5 | Very low | 47.6 | Very low | 121 Ų | 121 | 151.4 Ų | 151.4 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | | | trans | -64.7 | 107 | -178.4 | 50.4 | 0 | 0 | 0 | 0 | 110.5 | Y266 S270 | Y266-T268 PolarHBondContact O-N 3.27Å; T268-S270 PolarHBondContact O-N 3.34Å |
| 269 | T | 47.4 | Very low | 47.2 | Very low | 139 Ų | 139 | 153.8 Ų | 153.8 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | | | trans | -74.2 | 70.7 | 171.3 | 53.5 | 0 | 0 | 0 | 0 | 109.7 | P267 | P267-T269 PolarHBondContact O-N 3.22Š|
| 270 | S | 48.6 | Very low | 46.7 | Very low | 92 Ų | 92 | 158.8 Ų | 158.8 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | | | trans | -120.2 | 53.1 | -179.8 | 65.6 | 0 | 0 | 0 | 0 | 110.6 | T268 | T268-S270 PolarHBondContact O-N 3.34Š|
| 271 | F | 49 | Very low | 46.8 | Very low | 178 Ų | 178 | 157.6 Ų | 157.6 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -158.9 | 139.7 | 167.3 | -129.5 | -93.1 | 0 | 0 | 0 | 106.6 | | |
| 272 | Y | 45.5 | Very low | 46.5 | Very low | 206 Ų | 206 | 160.9 Ų | 160.9 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | | | trans | 72 | 69.3 | -163.8 | -48.3 | -70 | 0 | 0 | 0 | 114.5 | | |
| 273 | D | 47.5 | Very low | 46.2 | Very low | 156 Ų | 156 | 160.7 Ų | 160.7 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | | | trans | -139.6 | 38.1 | 166.4 | -137.6 | -23 | 0 | 0 | 0 | 108 | | |
| 274 | D | 49.1 | Very low | 45.9 | Very low | 152 Ų | 152 | 163.2 Ų | 163.2 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | | | trans | -151.2 | 21.9 | -151.8 | -119.7 | -23.3 | 0 | 0 | 0 | 112.9 | | |
| 275 | L | 48.2 | Very low | 45.5 | Very low | 156 Ų | 156 | 163.6 Ų | 163.6 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | | | trans | -144.9 | 32.8 | -179 | -77.1 | -178.4 | 0 | 0 | 0 | 114.1 | | |
| 276 | D | 46.6 | Very low | 45.7 | Very low | 163 Ų | 163 | 162.3 Ų | 162.3 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | | | trans | -120.2 | 43.6 | 177.9 | -80.8 | -45.2 | 0 | 0 | 0 | 112.6 | | |
| 277 | E | 47.4 | Very low | 45.8 | Very low | 191 Ų | 191 | 161.3 Ų | 161.3 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | | | trans | -161 | 83.7 | 170.5 | -132 | 177.7 | -119.2 | 0 | 0 | 113.1 | | |
| 278 | E | 44.2 | Very low | 45.7 | Very low | 186 Ų | 186 | 160.6 Ų | 160.6 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | | | trans | -154.2 | 117.8 | 145.6 | -79.5 | -153.4 | 151.3 | 0 | 0 | 111 | | |
| 279 | E | 42.6 | Very low | 45.8 | Very low | 173 Ų | 173 | 162.5 Ų | 162.5 | 81% | 0.808 | 83% | 0.828 | S | S | * | * | | | trans | 57.7 | 111.9 | 151.4 | -53.3 | -168.6 | 148.1 | 0 | 0 | 122 | | |
| 280 | E | 42.2 | Very low | 45.2 | Very low | 198 Ų | 198 | 159.5 Ų | 159.5 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | | | trans | -76.6 | 124.5 | 148.3 | -63.5 | -178.8 | 144.5 | 0 | 0 | 109.6 | | |
| 281 | E | 45.2 | Very low | 44.7 | Very low | 176 Ų | 176 | 159.1 Ų | 159.1 | 82% | 0.822 | 84% | 0.836 | S | S | * | * | | | trans | -137.4 | 103.5 | 154.9 | -81 | -150.2 | 155.8 | 0 | 0 | 111.9 | | |
| 282 | E | 42.4 | Very low | 44 | Very low | 183 Ų | 183 | 154 Ų | 154 | 86% | 0.855 | 83% | 0.833 | S | S | * | * | | | trans | 53.8 | 165.6 | 136.2 | -65.2 | -74.8 | 118.8 | 0 | 0 | 122.6 | | |
| 283 | E | 44.9 | Very low | 43.6 | Very low | 181 Ų | 181 | 151.2 Ų | 151.2 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | | | trans | -80.4 | 154.7 | -173.6 | -54.3 | 178.4 | 124.8 | 0 | 0 | 114 | | |
| 284 | D | 45 | Very low | 43.7 | Very low | 133 Ų | 133 | 152 Ų | 152 | 71% | 0.711 | 84% | 0.835 | S | S | * | * | | | | -162 | 119.4 | 128.8 | -142 | -11.9 | 0 | 0 | 0 | 113.2 | K286 | D284-K286 IonicContact OD1-NZ 3.9Å; D284-K286 IonicContact OD2-NZ 3.52Å; D284-K286 PolarHBondContact OD2-NZ 2.85Å |
| 285 | D | 44.8 | Very low | 43.2 | Very low | 160 Ų | 160 | 152.7 Ų | 152.7 | 86% | 0.856 | 83% | 0.833 | S | S | * | * | | | trans | -71 | 129.2 | 174.4 | -91.6 | -40 | 0 | 0 | 0 | 111.7 | | |
| 286 | K | 52.3 | Low | 42.8 | Very low | 155 Ų | 155 | 151.7 Ų | 151.7 | 67% | 0.674 | 83% | 0.829 | S | S | * | * | | | trans | -141.2 | 85.8 | 166.2 | -67.1 | -171.4 | 179.4 | 52.3 | 0 | 114.4 | D284 A288 | D284-K286 IonicContact OD1-NZ 3.9Å; D284-K286 IonicContact OD2-NZ 3.52Å; D284-K286 PolarHBondContact OD2-NZ 2.85Å; K286-A288 PolarHBondContact O-N 2.85Å |
| 287 | D | 43.3 | Very low | 42.9 | Very low | 179 Ų | 179 | 153.5 Ų | 153.5 | 96% | 0.957 | 83% | 0.832 | S | S | * | * | | | trans | -60.8 | 119.4 | 151.7 | -92.4 | -43.4 | 0 | 0 | 0 | 110 | | |
| 288 | A | 42.3 | Very low | 42.5 | Very low | 94 Ų | 94 | 150.2 Ų | 150.2 | 78% | 0.777 | 82% | 0.821 | S | S | * | * | | | trans | -145.5 | 112.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K286 | K286-A288 PolarHBondContact O-N 2.85Š|
| 289 | V | 43.9 | Very low | 42 | Very low | 161 Ų | 161 | 149.9 Ų | 149.9 | 98% | 0.976 | 82% | 0.819 | S | S | * | * | | | trans | -74.4 | 127.8 | 171.5 | 171.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 290 | G | 34.7 | Very low | 41.7 | Very low | 76 Ų | 76 | 148 Ų | 148 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | | | trans | -166 | 119.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 291 | G | 37.8 | Very low | 41.5 | Very low | 85 Ų | 85 | 146.9 Ų | 146.9 | 88% | 0.876 | 81% | 0.813 | S | S | * | * | | | trans | -103.8 | 156.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 292 | G | 33.3 | Very low | 41.1 | Very low | 69 Ų | 69 | 144.3 Ų | 144.3 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | | | trans | 152.1 | 95.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 293 | D | 37.6 | Very low | 40.9 | Very low | 148 Ų | 148 | 141.6 Ų | 141.6 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | | | | 60.5 | 90.4 | 50.1 | -154.2 | 34.3 | 0 | 0 | 0 | 111 | | |
| 294 | L | 49.9 | Very low | 40.3 | Very low | 172 Ų | 172 | 139.3 Ų | 139.3 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | | | trans | -138.5 | 123.7 | 167.4 | -77.9 | -179.6 | 0 | 0 | 0 | 108.1 | | |
| 295 | E | 38.2 | Very low | 39.5 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 78% | 0.78 | 81% | 0.809 | S | S | * | * | | | trans | -83 | 142 | -174.2 | -62.2 | 176.8 | 119.9 | 0 | 0 | 111.4 | | |
| 296 | D | 40.4 | Very low | 39 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | | | trans | 49.9 | 114 | 132.6 | 127.7 | -94.4 | 0 | 0 | 0 | 121.7 | | |
| 297 | E | 47.7 | Very low | 38.4 | Very low | 201 Ų | 201 | 137.3 Ų | 137.3 | 94% | 0.939 | 82% | 0.819 | S | S | * | * | | | trans | -134.1 | 83.9 | 165 | -75.9 | -81.3 | 171.2 | 0 | 0 | 107.7 | | |
| 298 | N | 39.8 | Very low | 37.6 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 65% | 0.647 | 81% | 0.808 | S | S | * | * | | | trans | -98 | 123.6 | 178.9 | 160.1 | 92.9 | 0 | 0 | 0 | 111.8 | | |
| 299 | E | 33.3 | Very low | 37.1 | Very low | 179 Ų | 179 | 136.2 Ų | 136.2 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | | | trans | -159 | 162.7 | 131.7 | -119.2 | -175 | 162.1 | 0 | 0 | 115.3 | | |
| 300 | L | 37.5 | Very low | 36.4 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 70% | 0.696 | 80% | 0.802 | S | S | * | * | | | trans | -79.8 | 145.1 | -165.9 | -68.8 | 62.5 | 0 | 0 | 0 | 113.5 | | |
| 301 | L | 36.9 | Very low | 36.7 | Very low | 175 Ų | 175 | 134.8 Ų | 134.8 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | | | trans | -145.4 | 118.1 | 132.4 | -84.4 | -169.5 | 0 | 0 | 0 | 112.4 | | |
| 302 | V | 37.3 | Very low | 36.4 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 75% | 0.745 | 80% | 0.803 | S | S | * | * | | | trans | -121.7 | 120.7 | 169.5 | 172.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 303 | P | 37.6 | Very low | 36.6 | Very low | 125 Ų | 125 | 138 Ų | 138 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | | | trans | -84.8 | 116.3 | 161.6 | -15.9 | 32.7 | 0 | 0 | 0 | 111.6 | | |
| 304 | T | 32 | Very low | 36.4 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | | | trans | -70.7 | 136.5 | 175.9 | -67.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 305 | G | 29.1 | Very low | 35.5 | Very low | 75 Ų | 75 | 134.7 Ų | 134.7 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | | | trans | -151.6 | 62.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 306 | K | 35.1 | Very low | 35.3 | Very low | 196 Ų | 196 | 132.5 Ų | 132.5 | 85% | 0.852 | 81% | 0.808 | S | S | * | * | | | trans | -143.3 | 159.6 | 168.8 | -70.8 | -176.9 | -179 | 175 | 0 | 107.7 | | |
| 307 | P | 38.5 | Very low | 34.9 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | | | cis | -119.5 | -175.4 | 13.4 | 42.3 | -28.4 | 0 | 0 | 0 | 113 | | |
| 308 | G | 27.2 | Very low | 34.5 | Very low | 71 Ų | 71 | 128 Ų | 128 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | | | cis | 167.6 | -150.2 | -2.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 309 | L | 31.3 | Very low | 34.4 | Very low | 179 Ų | 179 | 132 Ų | 132 | 94% | 0.937 | 81% | 0.81 | S | S | * | * | | | trans | 73.1 | 103.6 | 179.1 | -117.4 | 69.8 | 0 | 0 | 0 | 117.6 | | |
| 310 | G | 29.9 | Very low | 34.2 | Very low | 67 Ų | 67 | 135 Ų | 135 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | | | trans | -90.2 | -152.7 | 143.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 311 | P | 41 | Very low | 34.1 | Very low | 139 Ų | 139 | 137.6 Ų | 137.6 | 90% | 0.903 | 82% | 0.822 | S | S | * | * | | | cis | -123.5 | 178.1 | 7.6 | 41.7 | -28.3 | 0 | 0 | 0 | 114 | | |
| 312 | G | 30 | Very low | 34 | Very low | 76 Ų | 76 | 133.5 Ų | 133.5 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | | | trans | -179.2 | 55.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | G314 | G312-G314 PolarHBondContact O-N 2.77Å; G312-G314 VanDerWaalsContact O-N 3.15Å |
| 313 | T | 38.9 | Very low | 33.8 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | | | trans | -72.3 | 102.6 | 178.9 | 46.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 314 | G | 32.1 | Very low | 33.6 | Very low | 76 Ų | 76 | 130.9 Ų | 130.9 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | | | trans | -79.7 | 120.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G312 | G312-G314 PolarHBondContact O-N 2.77Å; G312-G314 VanDerWaalsContact O-N 3.15Å |
| 315 | Q | 31.9 | Very low | 33.5 | Very low | 176 Ų | 176 | 129.3 Ų | 129.3 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | trans | -81.2 | 135.9 | -178 | -170 | 168.5 | -69.2 | 0 | 0 | 111.5 | T317 | Q315-T317 PolarHBondContact O-N 2.94Å; Q315-T317 VanDerWaalsContact O-N 3.13Å |
| 316 | P | 33.8 | Very low | 33.7 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | | | trans | -73 | 106.7 | 177.7 | 29 | -33.7 | 0 | 0 | 0 | 110.8 | S318 | P316-S318 PolarHBondContact O-N 3.03Å; P316-S318 VanDerWaalsContact O-N 3.16Å |
| 317 | T | 31.8 | Very low | 33.7 | Very low | 132 Ų | 132 | 130.9 Ų | 130.9 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | | | trans | -74.6 | 100.5 | 171.8 | 51.4 | 0 | 0 | 0 | 0 | 110.2 | Q315 | Q315-T317 PolarHBondContact O-N 2.94Å; Q315-T317 VanDerWaalsContact O-N 3.13Å |
| 318 | S | 40.4 | Very low | 33.6 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | | | trans | -68.5 | 169.7 | 162.9 | 61.3 | 0 | 0 | 0 | 0 | 111 | P316 | P316-S318 PolarHBondContact O-N 3.03Å; P316-S318 VanDerWaalsContact O-N 3.16Å |
| 319 | R | 36.3 | Very low | 34.1 | Very low | 205 Ų | 205 | 135.4 Ų | 135.4 | 77% | 0.774 | 78% | 0.783 | S | S | * | * | | | trans | 70.6 | 93.5 | -171.5 | -174.4 | -170.5 | -70.8 | -153.5 | -4.4 | 114.7 | | |
| 320 | W | 30 | Very low | 34 | Very low | 240 Ų | 240 | 130.1 Ų | 130.1 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | | | | -158.1 | 95.7 | 120.4 | -81.4 | 116.1 | 0 | 0 | 0 | 109.1 | | |
| 321 | H | 35.1 | Very low | 34.1 | Very low | 188 Ų | 188 | 132.8 Ų | 132.8 | 87% | 0.87 | 78% | 0.779 | S | S | * | * | | | trans | -90.7 | 100.9 | 168.7 | -73.5 | -79.1 | 0 | 0 | 0 | 109.3 | | |
| 322 | A | 34.3 | Very low | 33.8 | Very low | 89 Ų | 89 | 132.6 Ų | 132.6 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | | | trans | -120 | 93.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | P324 | A322-P324 WeakPolarHBondContact O-CD 3.44Š|
| 323 | V | 33.1 | Very low | 34.2 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 119 | 175.6 | 178.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 324 | P | 33.5 | Very low | 33.8 | Very low | 74 Ų | 74 | 131.7 Ų | 131.7 | 48% | 0.481 | 77% | 0.771 | S | S | . | * | P | Polyproline II helix | trans | -65.6 | 147.7 | 172.4 | -17.5 | 32.2 | 0 | 0 | 0 | 110.4 | A322 Q326 | A322-P324 WeakPolarHBondContact O-CD 3.44Å; P324-Q326 PolarHBondContact O-N 2.58Å |
| 325 | P | 30.9 | Very low | 33.8 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 130.9 | 178.6 | 25.6 | -33.8 | 0 | 0 | 0 | 111 | H327 | P325-H327 PolarHBondContact O-CD2 3.29Å; P325-H327 PolarHBondContact O-N 3.19Å; P325-H327 VanDerWaalsContact O-N 3.13Å |
| 326 | Q | 32.8 | Very low | 33.8 | Very low | 142 Ų | 142 | 130.8 Ų | 130.8 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | | | trans | -74.2 | 100.2 | 175.3 | -66.5 | -73.5 | 18 | 0 | 0 | 109.3 | P324 T328 | P324-Q326 PolarHBondContact O-N 2.58Å; Q326-T328 PolarHBondContact O-N 3.48Å; Q326-T328 VanDerWaalsContact O-N 3.13Å |
| 327 | H | 36 | Very low | 34.2 | Very low | 162 Ų | 162 | 133.4 Ų | 133.4 | 75% | 0.75 | 78% | 0.778 | S | S | * | * | | | trans | -80.8 | 87.5 | 172.5 | -75.8 | -88.8 | 0 | 0 | 0 | 110.2 | P325 L329 | P325-H327 PolarHBondContact O-CD2 3.29Å; P325-H327 PolarHBondContact O-N 3.19Å; P325-H327 VanDerWaalsContact O-N 3.13Å; H327-L329 PolarHBondContact O-N 2.86Å |
| 328 | T | 36 | Very low | 34.5 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | | | trans | -65.8 | 121.8 | 164.4 | 34.7 | 0 | 0 | 0 | 0 | 110.1 | Q326 | Q326-T328 PolarHBondContact O-N 3.48Å; Q326-T328 VanDerWaalsContact O-N 3.13Å |
| 329 | L | 36.8 | Very low | 34.5 | Very low | 169 Ų | 169 | 134.1 Ų | 134.1 | 89% | 0.885 | 78% | 0.78 | S | S | * | * | | | trans | -147.1 | 141.9 | 169.2 | -114.6 | 163.7 | 0 | 0 | 0 | 110.2 | H327 | H327-L329 PolarHBondContact O-N 2.86Š|
| 330 | G | 28.9 | Very low | 34.5 | Very low | 68 Ų | 68 | 134.8 Ų | 134.8 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | | | trans | -73.6 | 155.7 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 331 | S | 32.6 | Very low | 34.9 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | | | trans | -73.3 | 134.7 | 175.5 | 39.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 332 | V | 35.3 | Very low | 34.8 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | | | trans | -128.1 | 123 | 159.2 | 179.6 | 0 | 0 | 0 | 0 | 106.7 | | |
| 333 | P | 37.6 | Very low | 34.9 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | trans | -80.2 | 129.7 | -175.5 | 30.9 | -33.4 | 0 | 0 | 0 | 111.4 | | |
| 334 | G | 31.9 | Very low | 35.3 | Very low | 71 Ų | 71 | 130.8 Ų | 130.8 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | | | trans | -178.5 | 121.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 335 | S | 30.4 | Very low | 35.2 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | trans | 76.8 | 116.6 | 154.4 | -57 | 0 | 0 | 0 | 0 | 121 | | |
| 336 | S | 31.8 | Very low | 36 | Very low | 114 Ų | 114 | 137 Ų | 137 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | | | trans | 74.4 | 103.7 | 134.2 | -55.4 | 0 | 0 | 0 | 0 | 120 | A338 | S336-A338 PolarHBondContact O-N 3.42Š|
| 337 | I | 43.8 | Very low | 36.2 | Very low | 175 Ų | 175 | 133.8 Ų | 133.8 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | | | trans | -65.9 | 114.1 | 162.5 | -60.6 | 164.7 | 0 | 0 | 0 | 109.3 | | |
| 338 | A | 37.4 | Very low | 36.6 | Very low | 93 Ų | 93 | 137 Ų | 137 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 145.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S336 | S336-A338 PolarHBondContact O-N 3.42Š|
| 339 | L | 39.5 | Very low | 37 | Very low | 167 Ų | 167 | 137.8 Ų | 137.8 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 151.6 | -169 | -72.2 | 165.8 | 0 | 0 | 0 | 114.1 | P341 | L339-P341 WeakPolarHBondContact O-CD 3.5Š|
| 340 | R | 36.1 | Very low | 37.5 | Very low | 218 Ų | 218 | 138.1 Ų | 138.1 | 82% | 0.823 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 117.5 | -174.2 | -174.3 | -171.5 | -158.8 | 128.8 | 0.3 | 113.6 | | |
| 341 | P | 38.2 | Very low | 38.6 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 144.9 | 164.3 | -18.3 | 32.8 | 0 | 0 | 0 | 111.2 | L339 | L339-P341 WeakPolarHBondContact O-CD 3.5Š|
| 342 | R | 33.1 | Very low | 39.6 | Very low | 228 Ų | 228 | 139.2 Ų | 139.2 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 147.2 | 170.8 | -101.6 | -178.4 | 165.4 | 86.2 | -3.2 | 110.4 | G344 | R342-G344 PolarHBondContact O-N 2.88Š|
| 343 | P | 38.3 | Very low | 40 | Very low | 133 Ų | 133 | 138 Ų | 138 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 129.1 | 173.2 | -13.3 | 28.4 | 0 | 0 | 0 | 110.5 | | |
| 344 | G | 40.8 | Very low | 40.6 | Very low | 75 Ų | 75 | 140.4 Ų | 140.4 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 149.3 | -19 | 167.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | R342 | R342-G344 PolarHBondContact O-N 2.88Š|
| 345 | E | 31.4 | Very low | 41.8 | Very low | 182 Ų | 182 | 144.9 Ų | 144.9 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | | | trans | -90.7 | 128.9 | -176.3 | -71 | -170.4 | 97.8 | 0 | 0 | 113.2 | G347 | E345-G347 VanDerWaalsContact C-N 3.35Å; E345-G347 PolarHBondContact O-N 2.82Å |
| 346 | P | 47.2 | Very low | 43.1 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | | | trans | -70.5 | 90.6 | 167 | -14.2 | 29.8 | 0 | 0 | 0 | 109.7 | R348 | P346-R348 PolarHBondContact O-N 3.22Š|
| 347 | G | 37.9 | Very low | 44.7 | Very low | 75 Ų | 75 | 141.7 Ų | 141.7 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | trans | -56.4 | 111 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | E345 | E345-G347 VanDerWaalsContact C-N 3.35Å; E345-G347 PolarHBondContact O-N 2.82Å |
| 348 | R | 43.6 | Very low | 46.2 | Very low | 230 Ų | 230 | 141.4 Ų | 141.4 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | | | trans | -69.5 | 147.5 | -176.2 | -65.3 | -175.6 | 178.9 | -167.5 | -0.8 | 111.4 | P346 L350 | P346-R348 PolarHBondContact O-N 3.22Å; R348-L350 PolarHBondContact O-N 2.92Å |
| 349 | D | 44 | Very low | 48.3 | Very low | 148 Ų | 148 | 138 Ų | 138 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | trans | -58.9 | 102.3 | -174.1 | -49.7 | -102.4 | 0 | 0 | 0 | 112.6 | A351 | D349-A351 HydrophobicContact CB-CB 4.4Å; D349-A351 PolarHBondContact O-N 3.28Å |
| 350 | L | 47.5 | Very low | 50.2 | Low | 176 Ų | 176 | 137 Ų | 137 | 92% | 0.921 | 76% | 0.755 | S | S | * | * | | | trans | -77.9 | 61.8 | 158.4 | -71.6 | -178.5 | 0 | 0 | 0 | 109.8 | R348 S352 | R348-L350 PolarHBondContact O-N 2.92Å; L350-S352 VanDerWaalsContact C-N 3.29Å; L350-S352 PolarHBondContact O-N 3.46Å |
| 351 | A | 52.9 | Low | 52.1 | Low | 95 Ų | 95 | 129.8 Ų | 129.8 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | | | trans | -73.1 | 81.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110 | D349 | D349-A351 HydrophobicContact CB-CB 4.4Å; D349-A351 PolarHBondContact O-N 3.28Å |
| 352 | S | 52.2 | Low | 53.7 | Low | 119 Ų | 119 | 125 Ų | 125 | 83% | 0.832 | 71% | 0.711 | S | S | * | * | | | trans | -144 | 84.2 | 168.8 | -163.8 | 0 | 0 | 0 | 0 | 111.9 | L350 | L350-S352 VanDerWaalsContact C-N 3.29Å; L350-S352 PolarHBondContact O-N 3.46Å |
| 353 | S | 43.5 | Very low | 56 | Low | 111 Ų | 111 | 117.6 Ų | 117.6 | 78% | 0.776 | 68% | 0.684 | S | S | * | * | | | trans | -152.3 | 122.4 | 148.4 | -170.6 | 0 | 0 | 0 | 0 | 107.5 | | |
| 354 | E | 51.7 | Low | 58.1 | Low | 180 Ų | 180 | 114.6 Ų | 114.6 | 84% | 0.841 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 138.1 | -176.1 | -71.2 | 166.5 | 83.1 | 0 | 0 | 111.2 | G356 | E354-G356 PolarHBondContact O-N 3.09Š|
| 355 | N | 57.5 | Low | 60.1 | Low | 166 Ų | 166 | 116.9 Ų | 116.9 | 89% | 0.888 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 56.6 | 21 | 167.7 | -60.7 | -9.6 | 0 | 0 | 0 | 117.5 | T357 | N355-T357 PolarHBondContact O-N 3.38Š|
| 356 | G | 55.9 | Low | 62.7 | Low | 39 Ų | 39 | 112.1 Ų | 112.1 | 40% | 0.402 | 63% | 0.626 | S | S | . | * | | | trans | -72.6 | 106.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E354 R365 | E354-G356 PolarHBondContact O-N 3.09Å; G356-R365 PolarHBondContact O-NH1 3.39Å |
| 357 | T | 65.8 | Low | 64.4 | Low | 125 Ų | 125 | 113.2 Ų | 113.2 | 77% | 0.767 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -70.6 | -27.8 | 158.1 | 46.6 | 0 | 0 | 0 | 0 | 111.3 | N355 R365 | N355-T357 PolarHBondContact O-N 3.38Å; T357-R365 PolarHBondContact O-NH1 2.93Å |
| 358 | E | 76.1 | Confident | 66.4 | Low | 170 Ų | 170 | 112.2 Ų | 112.2 | 79% | 0.794 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -73.9 | 144.8 | 174 | -170.4 | 160.4 | -140.3 | 0 | 0 | 112.2 | | |
| 359 | C | 81.5 | Confident | 68.3 | Low | 20 Ų | 20 | 104.4 Ų | 104.4 | 14% | 0.135 | 60% | 0.596 | C | S | . | * | P | Polyproline II helix | trans | -98.1 | 151.5 | 173.9 | -70.5 | 0 | 0 | 0 | 0 | 110.1 | F363 C370 | C359-F363 HydrophobicContact CB-CB 4.05Å; C359-F363 WeakPolarHBondContact CB-O 3.46Å; C359-C370 VanDerWaalsContact CA-SG 3.57Å; C359-C370 HydrophobicContact CB-CB 3.79Å; C359-C370 WeakPolarHBondContact CB-SG 3.45Å; C359-C370 VanDerWaalsContact SG-CA 3.58Å; C359-C370 WeakPolarHBondContact SG-CB 3.35Å; C359-C370 CovalentContact SG-SG 2.04Å; C359-C370 PolarHBondContact SG-SG 3.4Å |
| 360 | R | 79.1 | Confident | 70.3 | Confident | 146 Ų | 146 | 99.7 Ų | 99.7 | 55% | 0.551 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 139.2 | 178 | -158.1 | 169.1 | -177.8 | -124.5 | -10.3 | 110.5 | G362 F363 E391 | R360-G362 PolarHBondContact O-N 2.92Å; R360-F363 HydrophobicContact CB-CD2 4.3Å; R360-F363 WeakPolarHBondContact O-CB 3.03Å; R360-F363 WeakPolarHBondContact O-CD2 3.47Å; R360-F363 PolarHBondContact O-N 3.2Å; R360-E391 IonicContact CZ-OE1 3.76Å; R360-E391 IonicContact CZ-OE2 3.21Å; R360-E391 IonicContact NH1-OE1 2.73Å; R360-E391 PolarHBondContact NH1-OE1 2.92Å; R360-E391 IonicContact NH1-OE2 2.92Å; R360-E391 PolarHBondContact NH1-OE2 3.5Å; R360-E391 IonicContact NH2-OE2 2.75Å; R360-E391 PolarHBondContact NH2-OE2 3.25Å |
| 361 | S | 75 | Confident | 72.1 | Confident | 68 Ų | 68 | 97.3 Ų | 97.3 | 48% | 0.476 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -49.7 | 121.5 | -172 | -51.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 362 | G | 73.5 | Confident | 73.7 | Confident | 17 Ų | 17 | 93.1 Ų | 93.1 | 18% | 0.175 | 52% | 0.518 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 102.5 | -17 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R360 V373 L389 | R360-G362 PolarHBondContact O-N 2.92Å; G362-V373 PolarHBondContact O-N 2.8Å; G362-L389 WeakPolarHBondContact O-CD1 3.25Å |
| 363 | F | 79.8 | Confident | 75.3 | Confident | 71 Ų | 71 | 88.6 Ų | 88.6 | 31% | 0.311 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 139.4 | 171.7 | -62 | -102.1 | 0 | 0 | 0 | 110.3 | C359 R360 C370 R371 L389 | C359-F363 HydrophobicContact CB-CB 4.05Å; C359-F363 WeakPolarHBondContact CB-O 3.46Å; R360-F363 HydrophobicContact CB-CD2 4.3Å; R360-F363 WeakPolarHBondContact O-CB 3.03Å; R360-F363 WeakPolarHBondContact O-CD2 3.47Å; R360-F363 PolarHBondContact O-N 3.2Å; F363-C370 HydrophobicContact CB-CB 4.13Å; F363-R371 CarbonylContact C-O 3.54Å; F363-R371 VanDerWaalsContact CA-O 3.25Å; F363-R371 WeakPolarHBondContact CA-O 3.26Å; F363-L389 HydrophobicContact CD2-CD2 4Å; F363-L389 HydrophobicContact CE1-CD2 4.01Å; F363-L389 HydrophobicContact CE2-CD2 3.4Å; F363-L389 HydrophobicContact CZ-CD2 3.4Å |
| 364 | V | 82.7 | Confident | 77.4 | Confident | 70 Ų | 70 | 84.4 Ų | 84.4 | 42% | 0.424 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 144.2 | 177.1 | 175.1 | 0 | 0 | 0 | 0 | 108.9 | H366 R371 V373 L376 | V364-H366 PolarHBondContact O-N 2.98Å; V364-R371 PolarHBondContact N-O 3.39Å; V364-R371 PolarHBondContact O-N 3.48Å; V364-V373 HydrophobicContact CG2-CG2 3.7Å; V364-L376 HydrophobicContact CB-CD1 3.79Å; V364-L376 HydrophobicContact CG1-CD1 4.32Å |
| 365 | R | 84.2 | Confident | 79 | Confident | 124 Ų | 124 | 80.9 Ų | 80.9 | 47% | 0.468 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 120.7 | -177.3 | -152.6 | 170.5 | -166.8 | 119.3 | 9.4 | 110.8 | G356 T357 G368 S369 | G356-R365 PolarHBondContact O-NH1 3.39Å; T357-R365 PolarHBondContact O-NH1 2.93Å; R365-G368 PolarHBondContact NE-O 2.95Å; R365-G368 VanDerWaalsContact NE-O 3.07Å; R365-G368 PolarHBondContact NH2-O 3.33Å; R365-S369 CarbonylContact C-O 3.53Å; R365-S369 WeakPolarHBondContact CA-O 3.21Å |
| 366 | H | 84.3 | Confident | 80.3 | Confident | 81 Ų | 81 | 74.5 Ų | 74.5 | 38% | 0.375 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 124.3 | -176.2 | -178.9 | -90.4 | 0 | 0 | 0 | 110.3 | V364 G368 S369 L376 | V364-H366 PolarHBondContact O-N 2.98Å; H366-G368 VanDerWaalsContact C-N 3.25Å; H366-G368 PolarHBondContact O-N 3.07Å; H366-S369 PolarHBondContact N-O 3.33Å; H366-S369 PolarHBondContact O-N 2.72Å; H366-S369 VanDerWaalsContact O-O 3.13Å; H366-L376 HydrophobicContact CB-CD1 4.28Å; H366-L376 HydrophobicContact CB-CD2 3.49Å; H366-L376 VanDerWaalsContact CB-CD2 3.49Å |
| 367 | N | 83.6 | Confident | 81.7 | Confident | 147 Ų | 147 | 78.2 Ų | 78.2 | 79% | 0.786 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 44 | -172.3 | -63.2 | -19.2 | 0 | 0 | 0 | 113 | S369 | N367-S369 PolarHBondContact O-N 2.91Š|
| 368 | G | 80.2 | Confident | 82.4 | Confident | 53 Ų | 53 | 77.7 Ų | 77.7 | 55% | 0.546 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | -25 | 178 | 0 | 0 | 0 | 0 | 0 | 115.8 | R365 H366 | R365-G368 PolarHBondContact NE-O 2.95Å; R365-G368 VanDerWaalsContact NE-O 3.07Å; R365-G368 PolarHBondContact NH2-O 3.33Å; H366-G368 VanDerWaalsContact C-N 3.25Å; H366-G368 PolarHBondContact O-N 3.07Å |
| 369 | S | 83.7 | Confident | 82.6 | Confident | 66 Ų | 66 | 73.6 Ų | 73.6 | 46% | 0.462 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 161.8 | 175.9 | -179 | 0 | 0 | 0 | 0 | 111.9 | R365 H366 N367 | R365-S369 CarbonylContact C-O 3.53Å; R365-S369 WeakPolarHBondContact CA-O 3.21Å; H366-S369 PolarHBondContact N-O 3.33Å; H366-S369 PolarHBondContact O-N 2.72Å; H366-S369 VanDerWaalsContact O-O 3.13Å; N367-S369 PolarHBondContact O-N 2.91Å |
| 370 | C | 85.4 | Confident | 82.8 | Confident | 49 Ų | 49 | 74.5 Ų | 74.5 | 33% | 0.331 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 122.5 | 170.9 | -65.2 | 0 | 0 | 0 | 0 | 109.3 | C359 F363 | C359-C370 VanDerWaalsContact CA-SG 3.57Å; C359-C370 HydrophobicContact CB-CB 3.79Å; C359-C370 WeakPolarHBondContact CB-SG 3.45Å; C359-C370 VanDerWaalsContact SG-CA 3.58Å; C359-C370 WeakPolarHBondContact SG-CB 3.35Å; C359-C370 CovalentContact SG-SG 2.04Å; C359-C370 PolarHBondContact SG-SG 3.4Å; F363-C370 HydrophobicContact CB-CB 4.13Å |
| 371 | R | 86.1 | Confident | 83.3 | Confident | 127 Ų | 127 | 68 Ų | 68 | 48% | 0.479 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 153.1 | 177 | -70.7 | -172.7 | 173.2 | -156.9 | -4.6 | 110.6 | F363 V364 L376 | F363-R371 CarbonylContact C-O 3.54Å; F363-R371 VanDerWaalsContact CA-O 3.25Å; F363-R371 WeakPolarHBondContact CA-O 3.26Å; V364-R371 PolarHBondContact N-O 3.39Å; V364-R371 PolarHBondContact O-N 3.48Å; R371-L376 HydrophobicContact CB-CD1 4.02Å; R371-L376 HydrophobicContact CB-CD2 3.95Å; R371-L376 HydrophobicContact CB-CG 3.82Å |
| 372 | S | 85.5 | Confident | 83.9 | Confident | 7 Ų | 7 | 68.2 Ų | 68.2 | 5% | 0.049 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 153.5 | 178.8 | 82 | 0 | 0 | 0 | 0 | 111 | C374 D375 L376 | S372-C374 PolarHBondContact O-N 2.95Å; S372-C374 PolarHBondContact OG-N 2.92Å; S372-D375 VanDerWaalsContact CB-OD2 3.25Å; S372-D375 WeakPolarHBondContact CB-OD2 3.31Å; S372-D375 PolarHBondContact N-OD2 2.88Å; S372-D375 PolarHBondContact O-N 2.96Å; S372-D375 VanDerWaalsContact O-N 3.16Å; S372-D375 PolarHBondContact OG-N 3.41Å; S372-D375 PolarHBondContact OG-OD2 3.41Å; S372-L376 VanDerWaalsContact O-CG 3.31Å; S372-L376 WeakPolarHBondContact O-CG 3.24Å; S372-L376 PolarHBondContact O-N 3.27Å; S372-L376 VanDerWaalsContact O-N 3.1Å |
| 373 | V | 85.4 | Confident | 84.4 | Confident | 24 Ų | 24 | 71.1 Ų | 71.1 | 15% | 0.145 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.5 | -32.2 | 172.5 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | G362 V364 L376 F377 Y380 A395 | G362-V373 PolarHBondContact O-N 2.8Å; V364-V373 HydrophobicContact CG2-CG2 3.7Å; V373-L376 PolarHBondContact O-N 3.46Å; V373-F377 HydrophobicContact CG1-CD2 4.24Å; V373-F377 PolarHBondContact O-N 3.01Å; V373-Y380 HydrophobicContact CG1-CD2 3.54Å; V373-Y380 HydrophobicContact CG1-CE2 3.73Å; V373-Y380 HydrophobicContact CG1-CG 4Å; V373-A395 HydrophobicContact CB-CB 3.88Å; V373-A395 HydrophobicContact CG1-CB 3.98Å |
| 374 | C | 87.4 | Confident | 84.5 | Confident | 22 Ų | 22 | 71 Ų | 71 | 15% | 0.149 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.2 | -39.3 | 175.7 | -61.2 | 0 | 0 | 0 | 0 | 113.1 | S372 F377 C387 | S372-C374 PolarHBondContact O-N 2.95Å; S372-C374 PolarHBondContact OG-N 2.92Å; C374-F377 CarbonylContact O-C 3.57Å; C374-C387 WeakPolarHBondContact CA-SG 3.28Å; C374-C387 HydrophobicContact CB-CB 3.7Å; C374-C387 WeakPolarHBondContact CB-SG 3.37Å; C374-C387 VanDerWaalsContact SG-C 3.57Å; C374-C387 WeakPolarHBondContact SG-CB 3.49Å; C374-C387 CovalentContact SG-SG 2.04Å; C374-C387 PolarHBondContact SG-SG 2.91Å |
| 375 | D | 87 | Confident | 84.8 | Confident | 106 Ų | 106 | 68.3 Ų | 68.3 | 57% | 0.567 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -73.2 | -31.9 | 177.9 | -55.1 | -54.3 | 0 | 0 | 0 | 112.4 | S372 | S372-D375 VanDerWaalsContact CB-OD2 3.25Å; S372-D375 WeakPolarHBondContact CB-OD2 3.31Å; S372-D375 PolarHBondContact N-OD2 2.88Å; S372-D375 PolarHBondContact O-N 2.96Å; S372-D375 VanDerWaalsContact O-N 3.16Å; S372-D375 PolarHBondContact OG-N 3.41Å; S372-D375 PolarHBondContact OG-OD2 3.41Å |
| 376 | L | 84.4 | Confident | 85 | Confident | 33 Ų | 33 | 67.4 Ų | 67.4 | 17% | 0.173 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -79.9 | -35.2 | -178.5 | -69.7 | 169.2 | 0 | 0 | 0 | 112.2 | V364 H366 R371 S372 V373 | V364-L376 HydrophobicContact CB-CD1 3.79Å; V364-L376 HydrophobicContact CG1-CD1 4.32Å; H366-L376 HydrophobicContact CB-CD1 4.28Å; H366-L376 HydrophobicContact CB-CD2 3.49Å; H366-L376 VanDerWaalsContact CB-CD2 3.49Å; R371-L376 HydrophobicContact CB-CD1 4.02Å; R371-L376 HydrophobicContact CB-CD2 3.95Å; R371-L376 HydrophobicContact CB-CG 3.82Å; S372-L376 VanDerWaalsContact O-CG 3.31Å; S372-L376 WeakPolarHBondContact O-CG 3.24Å; S372-L376 PolarHBondContact O-N 3.27Å; S372-L376 VanDerWaalsContact O-N 3.1Å; V373-L376 PolarHBondContact O-N 3.46Å |
| 377 | F | 84.6 | Confident | 85.3 | Confident | 116 Ų | 116 | 65.6 Ų | 65.6 | 51% | 0.509 | 39% | 0.387 | S | S | . | . | | | trans | -129.3 | 84.2 | -178.2 | -58.2 | -78.9 | 0 | 0 | 0 | 109.6 | V373 C374 S379 Y380 | V373-F377 HydrophobicContact CG1-CD2 4.24Å; V373-F377 PolarHBondContact O-N 3.01Å; C374-F377 CarbonylContact O-C 3.57Å; F377-S379 PolarHBondContact O-N 3.42Å; F377-S379 VanDerWaalsContact O-N 3.1Å; F377-Y380 WeakPolarHBondContact O-CB 3.5Å; F377-Y380 PolarHBondContact O-N 2.96Å |
| 378 | P | 81 | Confident | 85.5 | Confident | 115 Ų | 115 | 63.2 Ų | 63.2 | 75% | 0.747 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -23.7 | 174.1 | -26 | 35.7 | 0 | 0 | 0 | 113.3 | Y380 | P378-Y380 VanDerWaalsContact C-N 3.33Š|
| 379 | S | 80.9 | Confident | 85.9 | Confident | 84 Ų | 84 | 63.4 Ų | 63.4 | 59% | 0.587 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 12.8 | 172.1 | 53.7 | 0 | 0 | 0 | 0 | 114.3 | F377 C381 | F377-S379 PolarHBondContact O-N 3.42Å; F377-S379 VanDerWaalsContact O-N 3.1Å; S379-C381 VanDerWaalsContact C-N 3.28Å; S379-C381 PolarHBondContact O-N 3.37Å |
| 380 | Y | 85.5 | Confident | 85.8 | Confident | 38 Ų | 38 | 63.3 Ų | 63.3 | 15% | 0.149 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -61.8 | -38.9 | 177.5 | -175.6 | -97.4 | 0 | 0 | 0 | 111.5 | V373 F377 P378 A395 R411 | V373-Y380 HydrophobicContact CG1-CD2 3.54Å; V373-Y380 HydrophobicContact CG1-CE2 3.73Å; V373-Y380 HydrophobicContact CG1-CG 4Å; F377-Y380 WeakPolarHBondContact O-CB 3.5Å; F377-Y380 PolarHBondContact O-N 2.96Å; P378-Y380 VanDerWaalsContact C-N 3.33Å; Y380-A395 HydrophobicContact CD1-CB 4.14Å; Y380-A395 HydrophobicContact CE1-CB 3.75Å; Y380-R411 HydrophobicContact CE1-CG 4.1Å; Y380-R411 VanDerWaalsContact O-CZ 3.24Å; Y380-R411 PolarHBondContact O-NE 3Å; Y380-R411 PolarHBondContact O-NH2 3.12Å |
| 381 | C | 89.6 | Confident | 85.5 | Confident | 11 Ų | 11 | 66 Ų | 66 | 7% | 0.074 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -98.7 | 128.1 | 170.9 | -55.7 | 0 | 0 | 0 | 0 | 109.8 | S379 G385 C387 C397 | S379-C381 VanDerWaalsContact C-N 3.28Å; S379-C381 PolarHBondContact O-N 3.37Å; C381-G385 WeakPolarHBondContact CB-O 3.43Å; C381-C387 VanDerWaalsContact SG-CA 3.51Å; C381-C387 VanDerWaalsContact SG-CB 3.54Å; C381-C397 WeakPolarHBondContact CA-SG 3.38Å; C381-C397 HydrophobicContact CB-CB 3.81Å; C381-C397 WeakPolarHBondContact CB-SG 3.3Å; C381-C397 WeakPolarHBondContact SG-CA 3.26Å; C381-C397 WeakPolarHBondContact SG-CB 3.33Å; C381-C397 CovalentContact SG-SG 2.03Å; C381-C397 PolarHBondContact SG-SG 2.83Å |
| 382 | H | 87.4 | Confident | 84.7 | Confident | 72 Ų | 72 | 65.6 Ų | 65.6 | 33% | 0.333 | 37% | 0.368 | S | S | . | . | | | trans | -84 | 166.4 | 179.5 | -63.7 | -78.4 | 0 | 0 | 0 | 111.3 | G384 G385 R411 C412 | H382-G384 VanDerWaalsContact C-N 3.26Å; H382-G384 PolarHBondContact O-N 3.47Å; H382-G384 VanDerWaalsContact O-N 3.08Å; H382-G385 PolarHBondContact O-N 3.38Å; H382-R411 PolarHBondContact N-O 2.86Å; H382-C412 WeakPolarHBondContact O-CB 3.27Å |
| 383 | N | 82.9 | Confident | 84.2 | Confident | 77 Ų | 77 | 72.1 Ų | 72.1 | 41% | 0.412 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 36.8 | 168.3 | -61.2 | -46.2 | 0 | 0 | 0 | 115.1 | G385 H407 C412 E413 I415 | N383-G385 VanDerWaalsContact C-N 3.32Å; N383-G385 PolarHBondContact O-N 3.44Å; N383-H407 PolarHBondContact O-CE1 2.94Å; N383-C412 PolarHBondContact ND2-O 3.24Å; N383-E413 PolarHBondContact ND2-O 2.92Å; N383-I415 HydrophobicContact CB-CD1 3.91Å; N383-I415 HydrophobicContact CB-CG1 4.1Å |
| 384 | G | 83.1 | Confident | 84.1 | Confident | 69 Ų | 69 | 71.4 Ų | 71.4 | 71% | 0.711 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 8.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | H382 | H382-G384 VanDerWaalsContact C-N 3.26Å; H382-G384 PolarHBondContact O-N 3.47Å; H382-G384 VanDerWaalsContact O-N 3.08Å |
| 385 | G | 88.6 | Confident | 84.1 | Confident | 13 Ų | 13 | 71.3 Ų | 71.3 | 13% | 0.134 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 141.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | C381 H382 N383 R398 | C381-G385 WeakPolarHBondContact CB-O 3.43Å; H382-G385 PolarHBondContact O-N 3.38Å; N383-G385 VanDerWaalsContact C-N 3.32Å; N383-G385 PolarHBondContact O-N 3.44Å; G385-R398 CarbonylContact C-O 3.59Å; G385-R398 WeakPolarHBondContact CA-O 3.23Å |
| 386 | Q | 89.2 | Confident | 84.2 | Confident | 105 Ų | 105 | 71.9 Ų | 71.9 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 122 | -179.6 | -66.3 | 172.6 | 5.4 | 0 | 0 | 109.9 | Y388 R398 | Q386-Y388 HydrophobicContact CB-CD2 4.27Å; Q386-Y388 HydrophobicContact CB-CE2 3.68Å; Q386-Y388 WeakPolarHBondContact O-CD2 3.44Å; Q386-Y388 PolarHBondContact OE1-OH 2.93Å; Q386-R398 PolarHBondContact N-O 3.5Å; Q386-R398 PolarHBondContact O-N 3.45Å |
| 387 | C | 89.8 | Confident | 84.4 | Confident | 43 Ų | 43 | 70.6 Ų | 70.6 | 29% | 0.291 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 119.7 | 176.6 | -162.7 | 0 | 0 | 0 | 0 | 110.1 | C374 C381 | C374-C387 WeakPolarHBondContact CA-SG 3.28Å; C374-C387 HydrophobicContact CB-CB 3.7Å; C374-C387 WeakPolarHBondContact CB-SG 3.37Å; C374-C387 VanDerWaalsContact SG-C 3.57Å; C374-C387 WeakPolarHBondContact SG-CB 3.49Å; C374-C387 CovalentContact SG-SG 2.04Å; C374-C387 PolarHBondContact SG-SG 2.91Å; C381-C387 VanDerWaalsContact SG-CA 3.51Å; C381-C387 VanDerWaalsContact SG-CB 3.54Å |
| 388 | Y | 88.1 | Confident | 84.7 | Confident | 98 Ų | 98 | 72.1 Ų | 72.1 | 38% | 0.384 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 142.3 | 174.6 | -74.6 | -84.6 | 0 | 0 | 0 | 109.7 | Q386 A395 F396 R398 | Q386-Y388 HydrophobicContact CB-CD2 4.27Å; Q386-Y388 HydrophobicContact CB-CE2 3.68Å; Q386-Y388 WeakPolarHBondContact O-CD2 3.44Å; Q386-Y388 PolarHBondContact OE1-OH 2.93Å; Y388-A395 WeakPolarHBondContact O-CA 3.27Å; Y388-F396 PolarHBondContact N-O 2.95Å; Y388-F396 PolarHBondContact O-N 2.82Å; Y388-R398 HydrophobicContact CD2-CB 3.83Å; Y388-R398 HydrophobicContact CE2-CB 3.68Å; Y388-R398 HydrophobicContact CE2-CG 4.48Å |
| 389 | L | 87.4 | Confident | 85 | Confident | 56 Ų | 56 | 68 Ų | 68 | 29% | 0.293 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 123 | 171.1 | -162.3 | 75.5 | 0 | 0 | 0 | 109.5 | G362 F363 A395 | G362-L389 WeakPolarHBondContact O-CD1 3.25Å; F363-L389 HydrophobicContact CD2-CD2 4Å; F363-L389 HydrophobicContact CE1-CD2 4.01Å; F363-L389 HydrophobicContact CE2-CD2 3.4Å; F363-L389 HydrophobicContact CZ-CD2 3.4Å; L389-A395 HydrophobicContact CD1-CB 4.28Å |
| 390 | V | 82.9 | Confident | 85.3 | Confident | 65 Ų | 65 | 67.9 Ų | 67.9 | 39% | 0.394 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 123.1 | 174.6 | -177.5 | 0 | 0 | 0 | 0 | 108.1 | N392 I393 G394 | V390-N392 PolarHBondContact O-N 3.01Å; V390-I393 HydrophobicContact CB-CB 4.22Å; V390-I393 HydrophobicContact CG1-CB 4.21Å; V390-I393 HydrophobicContact CG1-CD1 4.01Å; V390-I393 HydrophobicContact CG1-CG1 4.3Å; V390-I393 PolarHBondContact O-N 2.95Å; V390-G394 PolarHBondContact N-O 3.15Å; V390-G394 PolarHBondContact O-N 3.1Å |
| 391 | E | 77.8 | Confident | 85 | Confident | 104 Ų | 104 | 71.5 Ų | 71.5 | 49% | 0.486 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 138.3 | 179.5 | -53.6 | -158.9 | 151.7 | 0 | 0 | 110.5 | R360 I393 | R360-E391 IonicContact CZ-OE1 3.76Å; R360-E391 IonicContact CZ-OE2 3.21Å; R360-E391 IonicContact NH1-OE1 2.73Å; R360-E391 PolarHBondContact NH1-OE1 2.92Å; R360-E391 IonicContact NH1-OE2 2.92Å; R360-E391 PolarHBondContact NH1-OE2 3.5Å; R360-E391 IonicContact NH2-OE2 2.75Å; R360-E391 PolarHBondContact NH2-OE2 3.25Å; E391-I393 PolarHBondContact O-N 3.48Å; E391-I393 VanDerWaalsContact O-N 3.1Å |
| 392 | N | 70.6 | Confident | 84.5 | Confident | 120 Ų | 120 | 76 Ų | 76 | 64% | 0.642 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | -20.6 | -176.6 | -39.8 | -67.9 | 0 | 0 | 0 | 116.2 | V390 | V390-N392 PolarHBondContact O-N 3.01Š|
| 393 | I | 74.2 | Confident | 83.7 | Confident | 143 Ų | 143 | 79.6 Ų | 79.6 | 73% | 0.733 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -35 | 178.6 | -59.8 | 178 | 0 | 0 | 0 | 112 | V390 E391 | V390-I393 HydrophobicContact CB-CB 4.22Å; V390-I393 HydrophobicContact CG1-CB 4.21Å; V390-I393 HydrophobicContact CG1-CD1 4.01Å; V390-I393 HydrophobicContact CG1-CG1 4.3Å; V390-I393 PolarHBondContact O-N 2.95Å; E391-I393 PolarHBondContact O-N 3.48Å; E391-I393 VanDerWaalsContact O-N 3.1Å |
| 394 | G | 83.4 | Confident | 83.1 | Confident | 9 Ų | 9 | 83.2 Ų | 83.2 | 9% | 0.093 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 106.4 | -150.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V390 | V390-G394 PolarHBondContact N-O 3.15Å; V390-G394 PolarHBondContact O-N 3.1Å |
| 395 | A | 86.8 | Confident | 82.8 | Confident | 20 Ų | 20 | 82.3 Ų | 82.3 | 17% | 0.165 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 130 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V373 Y380 Y388 L389 | V373-A395 HydrophobicContact CB-CB 3.88Å; V373-A395 HydrophobicContact CG1-CB 3.98Å; Y380-A395 HydrophobicContact CD1-CB 4.14Å; Y380-A395 HydrophobicContact CE1-CB 3.75Å; Y388-A395 WeakPolarHBondContact O-CA 3.27Å; L389-A395 HydrophobicContact CD1-CB 4.28Å |
| 396 | F | 89.3 | Confident | 82.3 | Confident | 119 Ų | 119 | 87 Ų | 87 | 52% | 0.522 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 138.2 | -179.3 | 177.3 | -93.7 | 0 | 0 | 0 | 109.9 | Y388 | Y388-F396 PolarHBondContact N-O 2.95Å; Y388-F396 PolarHBondContact O-N 2.82Å |
| 397 | C | 90.3 | Very high | 82 | Confident | 6 Ų | 6 | 83.8 Ų | 83.8 | 4% | 0.041 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 116 | 178.5 | -66.3 | 0 | 0 | 0 | 0 | 111.4 | C381 C399 | C381-C397 WeakPolarHBondContact CA-SG 3.38Å; C381-C397 HydrophobicContact CB-CB 3.81Å; C381-C397 WeakPolarHBondContact CB-SG 3.3Å; C381-C397 WeakPolarHBondContact SG-CA 3.26Å; C381-C397 WeakPolarHBondContact SG-CB 3.33Å; C381-C397 CovalentContact SG-SG 2.03Å; C381-C397 PolarHBondContact SG-SG 2.83Å; C397-C399 PolarHBondContact O-N 3.47Å |
| 398 | R | 89.4 | Confident | 81.4 | Confident | 148 Ų | 148 | 88.1 Ų | 88.1 | 56% | 0.558 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 108.2 | 164.4 | -174.8 | -176.5 | 179.7 | 105.5 | 5.5 | 108.4 | G385 Q386 Y388 | G385-R398 CarbonylContact C-O 3.59Å; G385-R398 WeakPolarHBondContact CA-O 3.23Å; Q386-R398 PolarHBondContact N-O 3.5Å; Q386-R398 PolarHBondContact O-N 3.45Å; Y388-R398 HydrophobicContact CD2-CB 3.83Å; Y388-R398 HydrophobicContact CE2-CB 3.68Å; Y388-R398 HydrophobicContact CE2-CG 4.48Å |
| 399 | C | 88.9 | Confident | 81.1 | Confident | 29 Ų | 29 | 85.3 Ų | 85.3 | 20% | 0.196 | 43% | 0.427 | C | S | . | . | | | trans | -65.8 | 155.6 | 173.8 | -48.8 | 0 | 0 | 0 | 0 | 111.1 | C397 H407 C412 | C397-C399 PolarHBondContact O-N 3.47Å; C399-H407 HydrophobicContact CB-CB 3.6Å; C399-C412 WeakPolarHBondContact CA-SG 3.4Å; C399-C412 HydrophobicContact CB-CB 3.89Å; C399-C412 WeakPolarHBondContact CB-SG 3.36Å; C399-C412 PolarHBondContact N-SG 2.88Å; C399-C412 VanDerWaalsContact N-SG 3.43Å; C399-C412 WeakPolarHBondContact SG-CA 3.22Å; C399-C412 WeakPolarHBondContact SG-CB 3.41Å; C399-C412 CovalentContact SG-SG 2.04Å; C399-C412 PolarHBondContact SG-SG 3.28Å |
| 400 | N | 85.3 | Confident | 80.8 | Confident | 80 Ų | 80 | 88.4 Ų | 88.4 | 43% | 0.428 | 44% | 0.442 | S | S | . | . | | | trans | -64.9 | 150.8 | 166.2 | -165.4 | 37.2 | 0 | 0 | 0 | 109.3 | H407 | N400-H407 PolarHBondContact O-CD2 2.97Š|
| 401 | T | 80.3 | Confident | 80.9 | Confident | 115 Ų | 115 | 87.8 Ų | 87.8 | 71% | 0.706 | 43% | 0.432 | S | S | * | . | | | trans | -126.1 | 115.4 | 175.1 | 49.1 | 0 | 0 | 0 | 0 | 107.2 | | |
| 402 | Q | 78.4 | Confident | 81.4 | Confident | 105 Ų | 105 | 82.8 Ų | 82.8 | 49% | 0.491 | 41% | 0.409 | S | S | . | . | B | Isolated β-bridge | trans | -138.1 | 147.6 | -177.6 | -174.5 | 173.6 | 8.6 | 0 | 0 | 108.4 | Y404 I405 | Q402-Y404 PolarHBondContact O-N 2.86Å; Q402-I405 HydrophobicContact CB-CB 4.48Å; Q402-I405 CarbonylContact O-C 3.56Å; Q402-I405 PolarHBondContact O-N 3.35Å; Q402-I405 VanDerWaalsContact O-O 3.08Å |
| 403 | D | 71.3 | Confident | 82.1 | Confident | 147 Ų | 147 | 82.2 Ų | 82.2 | 79% | 0.786 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -15.3 | -154.6 | -42.4 | -72.7 | 0 | 0 | 0 | 115 | | |
| 404 | Y | 69.8 | Low | 82.4 | Confident | 154 Ų | 154 | 77.8 Ų | 77.8 | 60% | 0.604 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.4 | 9.5 | 179 | -52.5 | -78.8 | 0 | 0 | 0 | 113.6 | Q402 D418 | Q402-Y404 PolarHBondContact O-N 2.86Å; Y404-D418 HydrophobicContact CD1-CB 4.36Å; Y404-D418 PolarHBondContact O-N 3.07Å |
| 405 | I | 77.6 | Confident | 82.2 | Confident | 49 Ų | 49 | 80.7 Ų | 80.7 | 25% | 0.251 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 110.1 | -172.2 | -55.6 | -176.8 | 0 | 0 | 0 | 110.2 | Q402 I415 T417 | Q402-I405 HydrophobicContact CB-CB 4.48Å; Q402-I405 CarbonylContact O-C 3.56Å; Q402-I405 PolarHBondContact O-N 3.35Å; Q402-I405 VanDerWaalsContact O-O 3.08Å; I405-I415 HydrophobicContact CG2-CG2 3.8Å; I405-T417 HydrophobicContact CG1-CG2 4.44Å |
| 406 | W | 76.8 | Confident | 81.8 | Confident | 112 Ų | 112 | 82 Ų | 82 | 42% | 0.424 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 125.3 | 170.7 | 50.9 | 100.4 | 0 | 0 | 0 | 111.3 | I416 D418 V421 | W406-I416 HydrophobicContact CG-CB 4.46Å; W406-I416 HydrophobicContact CZ2-CG2 3.84Å; W406-I416 PolarHBondContact N-O 3.17Å; W406-I416 VanDerWaalsContact N-O 3.15Å; W406-I416 PolarHBondContact O-N 2.93Å; W406-D418 HydrophobicContact CH2-CB 4.07Å; W406-D418 HydrophobicContact CZ3-CB 3.94Å; W406-V421 HydrophobicContact CH2-CG2 4.09Å; W406-V421 HydrophobicContact CZ2-CG2 3.76Å |
| 407 | H | 83.4 | Confident | 81.6 | Confident | 37 Ų | 37 | 78.1 Ų | 78.1 | 17% | 0.171 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 132.1 | 176.4 | -64.7 | -105.5 | 0 | 0 | 0 | 109.8 | N383 C399 N400 C412 S414 | N383-H407 PolarHBondContact O-CE1 2.94Å; C399-H407 HydrophobicContact CB-CB 3.6Å; N400-H407 PolarHBondContact O-CD2 2.97Å; H407-C412 HydrophobicContact CB-CB 4.34Å; H407-S414 CarbonylContact C-O 3.55Å; H407-S414 WeakPolarHBondContact CA-O 3.34Å |
| 408 | K | 78.6 | Confident | 81.4 | Confident | 135 Ų | 135 | 79.7 Ų | 79.7 | 59% | 0.587 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 137 | -179 | 175.4 | 174.1 | -177.6 | 173.5 | 0 | 111.2 | S414 I416 | K408-S414 WeakPolarHBondContact CB-OG 3.34Å; K408-S414 PolarHBondContact N-O 3.3Å; K408-S414 PolarHBondContact O-N 3.05Å; K408-S414 VanDerWaalsContact O-N 3.08Å; K408-S414 PolarHBondContact O-OG 3.44Å; K408-I416 HydrophobicContact CB-CD1 4.42Å; K408-I416 HydrophobicContact CD-CD1 4.03Å |
| 409 | G | 80.7 | Confident | 81.1 | Confident | 39 Ų | 39 | 79.9 Ų | 79.9 | 40% | 0.402 | 40% | 0.4 | S | S | . | . | S | Bend | trans | 103.9 | 146.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R411 C412 | G409-R411 PolarHBondContact O-N 3.15Å; G409-C412 PolarHBondContact O-N 2.99Å |
| 410 | M | 80.9 | Confident | 81 | Confident | 121 Ų | 121 | 83.6 Ų | 83.6 | 60% | 0.596 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -13.2 | -173.7 | 63.1 | -177.3 | -67.4 | 0 | 0 | 115.4 | | |
| 411 | R | 85.6 | Confident | 81.2 | Confident | 51 Ų | 51 | 83.1 Ų | 83.1 | 19% | 0.192 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | 21.6 | 176.5 | -68.8 | 171.4 | 62.9 | -158.2 | -12.2 | 112.9 | Y380 H382 G409 E413 | Y380-R411 HydrophobicContact CE1-CG 4.1Å; Y380-R411 VanDerWaalsContact O-CZ 3.24Å; Y380-R411 PolarHBondContact O-NE 3Å; Y380-R411 PolarHBondContact O-NH2 3.12Å; H382-R411 PolarHBondContact N-O 2.86Å; G409-R411 PolarHBondContact O-N 3.15Å; R411-E413 HydrophobicContact CB-CG 4.09Å; R411-E413 PolarHBondContact O-N 2.86Å |
| 412 | C | 87.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 82.2 Ų | 82.2 | 0% | 0 | 40% | 0.403 | C | S | . | . | | | trans | 61.7 | 29 | 178.1 | -42.1 | 0 | 0 | 0 | 0 | 113.9 | H382 N383 C399 H407 G409 S414 | H382-C412 WeakPolarHBondContact O-CB 3.27Å; N383-C412 PolarHBondContact ND2-O 3.24Å; C399-C412 WeakPolarHBondContact CA-SG 3.4Å; C399-C412 HydrophobicContact CB-CB 3.89Å; C399-C412 WeakPolarHBondContact CB-SG 3.36Å; C399-C412 PolarHBondContact N-SG 2.88Å; C399-C412 VanDerWaalsContact N-SG 3.43Å; C399-C412 WeakPolarHBondContact SG-CA 3.22Å; C399-C412 WeakPolarHBondContact SG-CB 3.41Å; C399-C412 CovalentContact SG-SG 2.04Å; C399-C412 PolarHBondContact SG-SG 3.28Å; H407-C412 HydrophobicContact CB-CB 4.34Å; G409-C412 PolarHBondContact O-N 2.99Å; C412-S414 PolarHBondContact O-N 2.96Å |
| 413 | E | 86 | Confident | 82.4 | Confident | 108 Ų | 108 | 80.3 Ų | 80.3 | 51% | 0.505 | 40% | 0.4 | S | S | . | . | | | trans | -63.1 | -37 | -167.7 | -67.8 | 165.7 | 178.4 | 0 | 0 | 113.3 | N383 R411 | N383-E413 PolarHBondContact ND2-O 2.92Å; R411-E413 HydrophobicContact CB-CG 4.09Å; R411-E413 PolarHBondContact O-N 2.86Å |
| 414 | S | 79.4 | Confident | 83.6 | Confident | 49 Ų | 49 | 78.3 Ų | 78.3 | 34% | 0.343 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 142.8 | 179.7 | 59.6 | 0 | 0 | 0 | 0 | 111.9 | H407 K408 C412 | H407-S414 CarbonylContact C-O 3.55Å; H407-S414 WeakPolarHBondContact CA-O 3.34Å; K408-S414 WeakPolarHBondContact CB-OG 3.34Å; K408-S414 PolarHBondContact N-O 3.3Å; K408-S414 PolarHBondContact O-N 3.05Å; K408-S414 VanDerWaalsContact O-N 3.08Å; K408-S414 PolarHBondContact O-OG 3.44Å; C412-S414 PolarHBondContact O-N 2.96Å |
| 415 | I | 79.7 | Confident | 84.8 | Confident | 71 Ų | 71 | 73.4 Ų | 73.4 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 131.7 | 169 | -69.2 | 165.5 | 0 | 0 | 0 | 107.1 | N383 I405 T417 | N383-I415 HydrophobicContact CB-CD1 3.91Å; N383-I415 HydrophobicContact CB-CG1 4.1Å; I405-I415 HydrophobicContact CG2-CG2 3.8Å; I415-T417 HydrophobicContact CG2-CG2 3.78Å |
| 416 | I | 79.2 | Confident | 85.7 | Confident | 47 Ų | 47 | 75.8 Ų | 75.8 | 24% | 0.241 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 132.9 | 162.9 | -56.5 | 168.3 | 0 | 0 | 0 | 106.3 | W406 K408 | W406-I416 HydrophobicContact CG-CB 4.46Å; W406-I416 HydrophobicContact CZ2-CG2 3.84Å; W406-I416 PolarHBondContact N-O 3.17Å; W406-I416 VanDerWaalsContact N-O 3.15Å; W406-I416 PolarHBondContact O-N 2.93Å; K408-I416 HydrophobicContact CB-CD1 4.42Å; K408-I416 HydrophobicContact CD-CD1 4.03Å |
| 417 | T | 84.7 | Confident | 86.7 | Confident | 37 Ų | 37 | 72.5 Ų | 72.5 | 23% | 0.227 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 147.8 | 178.8 | 62.3 | 0 | 0 | 0 | 0 | 110.5 | I405 I415 F419 Q420 | I405-T417 HydrophobicContact CG1-CG2 4.44Å; I415-T417 HydrophobicContact CG2-CG2 3.78Å; T417-F419 PolarHBondContact O-N 2.69Å; T417-Q420 WeakPolarHBondContact O-CB 3.49Å; T417-Q420 PolarHBondContact O-N 3.38Å |
| 418 | D | 85 | Confident | 87.4 | Confident | 39 Ų | 39 | 73.7 Ų | 73.7 | 21% | 0.209 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -56.3 | -37.6 | 175.5 | -172.3 | 41.4 | 0 | 0 | 0 | 111.8 | Y404 W406 Q420 V421 M422 | Y404-D418 HydrophobicContact CD1-CB 4.36Å; Y404-D418 PolarHBondContact O-N 3.07Å; W406-D418 HydrophobicContact CH2-CB 4.07Å; W406-D418 HydrophobicContact CZ3-CB 3.94Å; D418-Q420 PolarHBondContact O-N 3.11Å; D418-Q420 VanDerWaalsContact O-N 3.12Å; D418-V421 PolarHBondContact O-N 3.26Å; D418-M422 WeakPolarHBondContact O-CG 3.43Å; D418-M422 PolarHBondContact O-N 3.46Å; D418-M422 WeakPolarHBondContact OD1-CE 3.38Å; D418-M422 WeakPolarHBondContact OD2-CE 3.32Å |
| 419 | F | 83.3 | Confident | 88.3 | Confident | 153 Ų | 153 | 69.7 Ų | 69.7 | 67% | 0.671 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -50.4 | -38.3 | 172.8 | -175.7 | -95.2 | 0 | 0 | 0 | 113.8 | T417 C423 | T417-F419 PolarHBondContact O-N 2.69Å; F419-C423 VanDerWaalsContact CE1-SG 3.59Å; F419-C423 VanDerWaalsContact O-CB 3.3Å; F419-C423 WeakPolarHBondContact O-CB 3.45Å; F419-C423 PolarHBondContact O-N 3.41Å; F419-C423 PolarHBondContact O-SG 3.13Å |
| 420 | Q | 86.9 | Confident | 89.2 | Confident | 106 Ų | 106 | 70.1 Ų | 70.1 | 50% | 0.495 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 177.1 | -70.7 | 172.5 | -4 | 0 | 0 | 111.8 | T417 D418 V424 | T417-Q420 WeakPolarHBondContact O-CB 3.49Å; T417-Q420 PolarHBondContact O-N 3.38Å; D418-Q420 PolarHBondContact O-N 3.11Å; D418-Q420 VanDerWaalsContact O-N 3.12Å; Q420-V424 WeakPolarHBondContact O-CG2 3.33Å; Q420-V424 PolarHBondContact O-N 2.87Å; Q420-V424 VanDerWaalsContact O-N 3.1Å |
| 421 | V | 90.5 | Very high | 89.9 | Confident | 71 Ų | 71 | 68.5 Ų | 68.5 | 43% | 0.43 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.8 | -45.4 | 178.8 | 178.3 | 0 | 0 | 0 | 0 | 110 | W406 D418 C423 V424 A425 | W406-V421 HydrophobicContact CH2-CG2 4.09Å; W406-V421 HydrophobicContact CZ2-CG2 3.76Å; D418-V421 PolarHBondContact O-N 3.26Å; V421-C423 PolarHBondContact O-N 3.47Å; V421-V424 PolarHBondContact O-N 2.9Å; V421-V424 VanDerWaalsContact O-N 3.15Å; V421-A425 WeakPolarHBondContact O-CB 3.33Å; V421-A425 PolarHBondContact O-N 3.17Å |
| 422 | M | 90.6 | Very high | 90.5 | Very high | 95 Ų | 95 | 70 Ų | 70 | 47% | 0.468 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 175.9 | -66.3 | -64 | 173.7 | 0 | 0 | 111.8 | D418 V424 A425 V426 | D418-M422 WeakPolarHBondContact O-CG 3.43Å; D418-M422 PolarHBondContact O-N 3.46Å; D418-M422 WeakPolarHBondContact OD1-CE 3.38Å; D418-M422 WeakPolarHBondContact OD2-CE 3.32Å; M422-V424 VanDerWaalsContact C-N 3.35Å; M422-V424 PolarHBondContact O-N 2.99Å; M422-A425 PolarHBondContact O-N 2.96Å; M422-V426 WeakPolarHBondContact O-CB 3.39Å; M422-V426 WeakPolarHBondContact O-CG2 3.37Å; M422-V426 PolarHBondContact O-N 3.28Å |
| 423 | C | 93.8 | Very high | 90.9 | Very high | 65 Ų | 65 | 75.6 Ų | 75.6 | 44% | 0.439 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62 | -38.3 | 173.6 | -77.9 | 0 | 0 | 0 | 0 | 113.2 | F419 V421 G427 | F419-C423 VanDerWaalsContact CE1-SG 3.59Å; F419-C423 VanDerWaalsContact O-CB 3.3Å; F419-C423 WeakPolarHBondContact O-CB 3.45Å; F419-C423 PolarHBondContact O-N 3.41Å; F419-C423 PolarHBondContact O-SG 3.13Å; V421-C423 PolarHBondContact O-N 3.47Å; C423-G427 WeakPolarHBondContact O-CA 3.35Å; C423-G427 PolarHBondContact O-N 3.42Å |
| 424 | V | 94.8 | Very high | 91.4 | Very high | 106 Ų | 106 | 75.7 Ų | 75.7 | 64% | 0.642 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -70.8 | -42.6 | 176 | 171 | 0 | 0 | 0 | 0 | 111.3 | Q420 V421 M422 S428 | Q420-V424 WeakPolarHBondContact O-CG2 3.33Å; Q420-V424 PolarHBondContact O-N 2.87Å; Q420-V424 VanDerWaalsContact O-N 3.1Å; V421-V424 PolarHBondContact O-N 2.9Å; V421-V424 VanDerWaalsContact O-N 3.15Å; M422-V424 VanDerWaalsContact C-N 3.35Å; M422-V424 PolarHBondContact O-N 2.99Å; V424-S428 WeakPolarHBondContact O-CB 3.35Å; V424-S428 PolarHBondContact O-N 3.24Å; V424-S428 PolarHBondContact O-OG 3.48Å |
| 425 | A | 96.1 | Very high | 92.2 | Very high | 50 Ų | 50 | 78 Ų | 78 | 41% | 0.413 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.7 | -54.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V421 M422 S428 A429 | V421-A425 WeakPolarHBondContact O-CB 3.33Å; V421-A425 PolarHBondContact O-N 3.17Å; M422-A425 PolarHBondContact O-N 2.96Å; A425-S428 PolarHBondContact O-N 3.21Å; A425-S428 PolarHBondContact O-OG 2.91Å; A425-S428 VanDerWaalsContact O-OG 3.07Å; A425-A429 WeakPolarHBondContact O-CB 3.33Å; A425-A429 PolarHBondContact O-N 2.84Å |
| 426 | V | 97.2 | Very high | 93 | Very high | 100 Ų | 100 | 79.4 Ų | 79.4 | 61% | 0.606 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -65.7 | -41.6 | 179.1 | 177.3 | 0 | 0 | 0 | 0 | 111.1 | M422 A429 A430 | M422-V426 WeakPolarHBondContact O-CB 3.39Å; M422-V426 WeakPolarHBondContact O-CG2 3.37Å; M422-V426 PolarHBondContact O-N 3.28Å; V426-A429 PolarHBondContact O-N 3.24Å; V426-A430 WeakPolarHBondContact O-CB 3.32Å; V426-A430 PolarHBondContact O-N 3.16Å |
| 427 | G | 97.3 | Very high | 93.8 | Very high | 42 Ų | 42 | 82.7 Ų | 82.7 | 43% | 0.433 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | C423 L431 | C423-G427 WeakPolarHBondContact O-CA 3.35Å; C423-G427 PolarHBondContact O-N 3.42Å; G427-L431 WeakPolarHBondContact O-CB 3.36Å; G427-L431 PolarHBondContact O-N 3.5Å |
| 428 | S | 97.6 | Very high | 94.2 | Very high | 62 Ų | 62 | 86 Ų | 86 | 43% | 0.434 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.1 | -40 | 175.7 | 60.3 | 0 | 0 | 0 | 0 | 112.3 | V424 A425 L431 V432 | V424-S428 WeakPolarHBondContact O-CB 3.35Å; V424-S428 PolarHBondContact O-N 3.24Å; V424-S428 PolarHBondContact O-OG 3.48Å; A425-S428 PolarHBondContact O-N 3.21Å; A425-S428 PolarHBondContact O-OG 2.91Å; A425-S428 VanDerWaalsContact O-OG 3.07Å; S428-L431 PolarHBondContact O-N 2.8Å; S428-V432 WeakPolarHBondContact O-CG2 3.28Å; S428-V432 PolarHBondContact O-N 3.1Å |
| 429 | A | 98.1 | Very high | 94.6 | Very high | 52 Ų | 52 | 89 Ų | 89 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.7 | -47.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A425 V426 L431 V432 L433 | A425-A429 WeakPolarHBondContact O-CB 3.33Å; A425-A429 PolarHBondContact O-N 2.84Å; V426-A429 PolarHBondContact O-N 3.24Å; A429-L431 PolarHBondContact O-N 3.43Å; A429-V432 PolarHBondContact O-N 3.38Å; A429-L433 WeakPolarHBondContact O-CG 3.37Å; A429-L433 PolarHBondContact O-N 3.18Å |
| 430 | A | 97.9 | Very high | 95.2 | Very high | 47 Ų | 47 | 85.7 Ų | 85.7 | 39% | 0.388 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V426 L433 L434 | V426-A430 WeakPolarHBondContact O-CB 3.32Å; V426-A430 PolarHBondContact O-N 3.16Å; A430-L433 PolarHBondContact O-N 3.44Å; A430-L434 WeakPolarHBondContact O-CB 3.47Å; A430-L434 WeakPolarHBondContact O-CG 3.32Å; A430-L434 PolarHBondContact O-N 2.9Å |
| 431 | L | 96.9 | Very high | 95.5 | Very high | 88 Ų | 88 | 83.7 Ų | 83.7 | 46% | 0.461 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 175.5 | 179.2 | 60.9 | 0 | 0 | 0 | 112 | G427 S428 A429 L434 L435 | G427-L431 WeakPolarHBondContact O-CB 3.36Å; G427-L431 PolarHBondContact O-N 3.5Å; S428-L431 PolarHBondContact O-N 2.8Å; A429-L431 PolarHBondContact O-N 3.43Å; L431-L434 PolarHBondContact O-N 2.04Å; L431-L435 HydrophobicContact CD1-CD1 4.15Å; L431-L435 HydrophobicContact CD1-CG 4.24Å; L431-L435 HydrophobicContact CG-CD1 4.04Å; L431-L435 WeakPolarHBondContact O-CB 3.39Å; L431-L435 VanDerWaalsContact O-CG 3.27Å; L431-L435 WeakPolarHBondContact O-CG 3.46Å; L431-L435 PolarHBondContact O-N 2.79Å |
| 432 | V | 97.8 | Very high | 95.4 | Very high | 81 Ų | 81 | 85.8 Ų | 85.8 | 49% | 0.491 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 176.3 | 168.3 | 0 | 0 | 0 | 0 | 111 | S428 A429 L434 L435 L436 | S428-V432 WeakPolarHBondContact O-CG2 3.28Å; S428-V432 PolarHBondContact O-N 3.1Å; A429-V432 PolarHBondContact O-N 3.38Å; V432-L434 PolarHBondContact O-N 2.75Å; V432-L435 PolarHBondContact O-N 2.92Å; V432-L436 HydrophobicContact CG1-CD1 3.91Å; V432-L436 HydrophobicContact CG1-CG 4.36Å; V432-L436 WeakPolarHBondContact O-CB 3.45Å; V432-L436 VanDerWaalsContact O-CG 3.3Å; V432-L436 WeakPolarHBondContact O-CG 3.33Å; V432-L436 PolarHBondContact O-N 3.1Å |
| 433 | L | 97.1 | Very high | 95.2 | Very high | 118 Ų | 118 | 86.9 Ų | 86.9 | 62% | 0.618 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.8 | -42.8 | 177 | -70.1 | 172.2 | 0 | 0 | 0 | 112.2 | A429 A430 L436 F437 | A429-L433 WeakPolarHBondContact O-CG 3.37Å; A429-L433 PolarHBondContact O-N 3.18Å; A430-L433 PolarHBondContact O-N 3.44Å; L433-L436 PolarHBondContact O-N 2.89Å; L433-F437 WeakPolarHBondContact O-CB 3.3Å; L433-F437 PolarHBondContact O-N 2.91Å |
| 434 | L | 96.3 | Very high | 95 | Very high | 111 Ų | 111 | 86.6 Ų | 86.6 | 58% | 0.581 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.8 | -39.2 | 175.7 | -72.3 | 175.2 | 0 | 0 | 0 | 112.6 | A430 L431 V432 F437 M438 | A430-L434 WeakPolarHBondContact O-CB 3.47Å; A430-L434 WeakPolarHBondContact O-CG 3.32Å; A430-L434 PolarHBondContact O-N 2.9Å; L431-L434 PolarHBondContact O-N 2.04Å; V432-L434 PolarHBondContact O-N 2.75Å; L434-F437 PolarHBondContact O-N 3.13Å; L434-M438 WeakPolarHBondContact O-CB 3.35Å; L434-M438 VanDerWaalsContact O-CG 3.32Å; L434-M438 WeakPolarHBondContact O-CG 3.47Å; L434-M438 PolarHBondContact O-N 2.99Å |
| 435 | L | 95.6 | Very high | 94.8 | Very high | 97 Ų | 97 | 88.9 Ų | 88.9 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.4 | -42 | 175.1 | -74 | 171.6 | 0 | 0 | 0 | 111.7 | L431 V432 M438 M439 | L431-L435 HydrophobicContact CD1-CD1 4.15Å; L431-L435 HydrophobicContact CD1-CG 4.24Å; L431-L435 HydrophobicContact CG-CD1 4.04Å; L431-L435 WeakPolarHBondContact O-CB 3.39Å; L431-L435 VanDerWaalsContact O-CG 3.27Å; L431-L435 WeakPolarHBondContact O-CG 3.46Å; L431-L435 PolarHBondContact O-N 2.79Å; V432-L435 PolarHBondContact O-N 2.92Å; L435-M438 PolarHBondContact O-N 3.46Å; L435-M439 WeakPolarHBondContact O-CB 3.4Å; L435-M439 VanDerWaalsContact O-CG 3.27Å; L435-M439 WeakPolarHBondContact O-CG 3.36Å; L435-M439 PolarHBondContact O-N 3.33Å |
| 436 | L | 96.2 | Very high | 94.3 | Very high | 101 Ų | 101 | 91.3 Ų | 91.3 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 173.6 | -72.5 | 172.3 | 0 | 0 | 0 | 111.3 | V432 L433 M439 T440 | V432-L436 HydrophobicContact CG1-CD1 3.91Å; V432-L436 HydrophobicContact CG1-CG 4.36Å; V432-L436 WeakPolarHBondContact O-CB 3.45Å; V432-L436 VanDerWaalsContact O-CG 3.3Å; V432-L436 WeakPolarHBondContact O-CG 3.33Å; V432-L436 PolarHBondContact O-N 3.1Å; L433-L436 PolarHBondContact O-N 2.89Å; L436-M439 PolarHBondContact O-N 2.95Å; L436-T440 WeakPolarHBondContact O-CG2 3.45Å; L436-T440 PolarHBondContact O-N 2.79Å; L436-T440 PolarHBondContact O-OG1 3.08Å |
| 437 | F | 96.5 | Very high | 93.3 | Very high | 116 Ų | 116 | 91.9 Ų | 91.9 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 176 | -178.7 | -108.8 | 0 | 0 | 0 | 112.6 | L433 L434 M439 T440 V441 | L433-F437 WeakPolarHBondContact O-CB 3.3Å; L433-F437 PolarHBondContact O-N 2.91Å; L434-F437 PolarHBondContact O-N 3.13Å; F437-M439 VanDerWaalsContact C-N 3.29Å; F437-M439 PolarHBondContact O-N 3.35Å; F437-T440 WeakPolarHBondContact CA-OG1 3.41Å; F437-T440 PolarHBondContact O-N 3.48Å; F437-T440 PolarHBondContact O-OG1 2.82Å; F437-T440 VanDerWaalsContact O-OG1 3.09Å; F437-V441 HydrophobicContact CD1-CG2 4.42Å; F437-V441 HydrophobicContact CD2-CG2 4.24Å; F437-V441 HydrophobicContact CE1-CG2 4.06Å; F437-V441 HydrophobicContact CE2-CG2 3.86Å; F437-V441 HydrophobicContact CZ-CG2 3.76Å; F437-V441 WeakPolarHBondContact O-CB 3.27Å; F437-V441 VanDerWaalsContact O-CG2 3.28Å; F437-V441 WeakPolarHBondContact O-CG2 3.09Å; F437-V441 PolarHBondContact O-N 2.04Å |
| 438 | M | 93.3 | Very high | 92.5 | Very high | 106 Ų | 106 | 97.6 Ų | 97.6 | 52% | 0.522 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.7 | -37.5 | 173.2 | -73.9 | -64.6 | 104.7 | 0 | 0 | 112 | L434 L435 F442 | L434-M438 WeakPolarHBondContact O-CB 3.35Å; L434-M438 VanDerWaalsContact O-CG 3.32Å; L434-M438 WeakPolarHBondContact O-CG 3.47Å; L434-M438 PolarHBondContact O-N 2.99Å; L435-M438 PolarHBondContact O-N 3.46Å; M438-F442 VanDerWaalsContact O-CB 3.25Å; M438-F442 WeakPolarHBondContact O-CB 3.37Å; M438-F442 PolarHBondContact O-N 3.45Å |
| 439 | M | 93.9 | Very high | 91.5 | Very high | 101 Ų | 101 | 98.7 Ų | 98.7 | 50% | 0.498 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.6 | -47 | 174.9 | -72.9 | -65.2 | 153.7 | 0 | 0 | 112.2 | L435 L436 F437 V441 F442 F443 | L435-M439 WeakPolarHBondContact O-CB 3.4Å; L435-M439 VanDerWaalsContact O-CG 3.27Å; L435-M439 WeakPolarHBondContact O-CG 3.36Å; L435-M439 PolarHBondContact O-N 3.33Å; L436-M439 PolarHBondContact O-N 2.95Å; F437-M439 VanDerWaalsContact C-N 3.29Å; F437-M439 PolarHBondContact O-N 3.35Å; M439-V441 PolarHBondContact O-N 2.03Å; M439-F442 PolarHBondContact O-N 3.45Å; M439-F443 HydrophobicContact CB-CD2 4.31Å; M439-F443 HydrophobicContact CB-CE2 4.14Å; M439-F443 WeakPolarHBondContact O-CB 3.01Å; M439-F443 WeakPolarHBondContact O-CD2 3.4Å; M439-F443 WeakPolarHBondContact O-CG 3.02Å; M439-F443 PolarHBondContact O-N 2.99Å; M439-F443 HydrophobicContact SD-CE2 4.49Å |
| 440 | T | 94.4 | Very high | 90.2 | Very high | 84 Ų | 84 | 100.6 Ų | 100.6 | 52% | 0.515 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 178.5 | 56.2 | 0 | 0 | 0 | 0 | 111.9 | L436 F437 F443 A444 | L436-T440 WeakPolarHBondContact O-CG2 3.45Å; L436-T440 PolarHBondContact O-N 2.79Å; L436-T440 PolarHBondContact O-OG1 3.08Å; F437-T440 WeakPolarHBondContact CA-OG1 3.41Å; F437-T440 PolarHBondContact O-N 3.48Å; F437-T440 PolarHBondContact O-OG1 2.82Å; F437-T440 VanDerWaalsContact O-OG1 3.09Å; T440-F443 PolarHBondContact O-N 3.08Å; T440-A444 VanDerWaalsContact O-CB 3.26Å; T440-A444 WeakPolarHBondContact O-CB 3.47Å; T440-A444 PolarHBondContact O-N 2.73Å |
| 441 | V | 93.3 | Very high | 89.3 | Confident | 64 Ų | 64 | 105.7 Ų | 105.7 | 39% | 0.388 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 172.4 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | F437 M439 K445 | F437-V441 HydrophobicContact CD1-CG2 4.42Å; F437-V441 HydrophobicContact CD2-CG2 4.24Å; F437-V441 HydrophobicContact CE1-CG2 4.06Å; F437-V441 HydrophobicContact CE2-CG2 3.86Å; F437-V441 HydrophobicContact CZ-CG2 3.76Å; F437-V441 WeakPolarHBondContact O-CB 3.27Å; F437-V441 VanDerWaalsContact O-CG2 3.28Å; F437-V441 WeakPolarHBondContact O-CG2 3.09Å; F437-V441 PolarHBondContact O-N 2.04Å; M439-V441 PolarHBondContact O-N 2.03Å; V441-K445 VanDerWaalsContact O-CB 3.23Å; V441-K445 WeakPolarHBondContact O-CB 3.21Å; V441-K445 PolarHBondContact O-N 3.29Å |
| 442 | F | 88.7 | Confident | 88.4 | Confident | 115 Ų | 115 | 104 Ų | 104 | 50% | 0.504 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 175.2 | -176.2 | -98.5 | 0 | 0 | 0 | 111.9 | M438 M439 K445 K446 | M438-F442 VanDerWaalsContact O-CB 3.25Å; M438-F442 WeakPolarHBondContact O-CB 3.37Å; M438-F442 PolarHBondContact O-N 3.45Å; M439-F442 PolarHBondContact O-N 3.45Å; F442-K445 PolarHBondContact O-N 2.84Å; F442-K446 HydrophobicContact CD1-CG 4.04Å; F442-K446 HydrophobicContact CE1-CG 3.79Å; F442-K446 HydrophobicContact CE2-CG 4.32Å; F442-K446 HydrophobicContact CG-CG 4.43Å; F442-K446 HydrophobicContact CZ-CD 4.27Å; F442-K446 HydrophobicContact CZ-CG 3.96Å; F442-K446 WeakPolarHBondContact O-CB 3.01Å; F442-K446 VanDerWaalsContact O-CG 3.26Å; F442-K446 WeakPolarHBondContact O-CG 3.46Å; F442-K446 PolarHBondContact O-N 2.78Å |
| 443 | F | 87 | Confident | 87.4 | Confident | 118 Ų | 118 | 105.3 Ų | 105.3 | 52% | 0.518 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 175.4 | -73.5 | -56.8 | 0 | 0 | 0 | 111.6 | M439 T440 K445 K446 L447 | M439-F443 HydrophobicContact CB-CD2 4.31Å; M439-F443 HydrophobicContact CB-CE2 4.14Å; M439-F443 WeakPolarHBondContact O-CB 3.01Å; M439-F443 WeakPolarHBondContact O-CD2 3.4Å; M439-F443 WeakPolarHBondContact O-CG 3.02Å; M439-F443 PolarHBondContact O-N 2.99Å; M439-F443 HydrophobicContact SD-CE2 4.49Å; T440-F443 PolarHBondContact O-N 3.08Å; F443-K445 VanDerWaalsContact C-N 3.33Å; F443-K445 PolarHBondContact O-N 2.9Å; F443-K446 PolarHBondContact O-N 3.18Å; F443-L447 WeakPolarHBondContact O-CB 3.42Å; F443-L447 WeakPolarHBondContact O-CG 3.48Å; F443-L447 PolarHBondContact O-N 2.86Å |
| 444 | A | 89.1 | Confident | 86.2 | Confident | 60 Ų | 60 | 103.5 Ų | 103.5 | 50% | 0.496 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.2 | -46.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | T440 Y448 | T440-A444 VanDerWaalsContact O-CB 3.26Å; T440-A444 WeakPolarHBondContact O-CB 3.47Å; T440-A444 PolarHBondContact O-N 2.73Å; A444-Y448 WeakPolarHBondContact O-CB 3.08Å; A444-Y448 PolarHBondContact O-N 3.22Å |
| 445 | K | 89.9 | Confident | 85 | Confident | 153 Ų | 153 | 101 Ų | 101 | 67% | 0.665 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.5 | -38.1 | 178.6 | -165 | 165.6 | -173.2 | 167.8 | 0 | 112.7 | V441 F442 F443 L449 | V441-K445 VanDerWaalsContact O-CB 3.23Å; V441-K445 WeakPolarHBondContact O-CB 3.21Å; V441-K445 PolarHBondContact O-N 3.29Å; F442-K445 PolarHBondContact O-N 2.84Å; F443-K445 VanDerWaalsContact C-N 3.33Å; F443-K445 PolarHBondContact O-N 2.9Å; K445-L449 WeakPolarHBondContact O-CG 3.31Å; K445-L449 PolarHBondContact O-N 3.23Å |
| 446 | K | 85.9 | Confident | 83.7 | Confident | 101 Ų | 101 | 103.7 Ų | 103.7 | 44% | 0.439 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72.2 | -44.8 | 175.5 | -73.7 | -68.2 | -173.6 | 178.6 | 0 | 112.6 | F442 F443 Y448 L449 L450 | F442-K446 HydrophobicContact CD1-CG 4.04Å; F442-K446 HydrophobicContact CE1-CG 3.79Å; F442-K446 HydrophobicContact CE2-CG 4.32Å; F442-K446 HydrophobicContact CG-CG 4.43Å; F442-K446 HydrophobicContact CZ-CD 4.27Å; F442-K446 HydrophobicContact CZ-CG 3.96Å; F442-K446 WeakPolarHBondContact O-CB 3.01Å; F442-K446 VanDerWaalsContact O-CG 3.26Å; F442-K446 WeakPolarHBondContact O-CG 3.46Å; F442-K446 PolarHBondContact O-N 2.78Å; F443-K446 PolarHBondContact O-N 3.18Å; K446-Y448 VanDerWaalsContact C-N 3.33Å; K446-L449 PolarHBondContact O-N 3.41Å; K446-L450 WeakPolarHBondContact O-CB 3.2Å; K446-L450 VanDerWaalsContact O-CG 3.31Å; K446-L450 WeakPolarHBondContact O-CG 3.04Å; K446-L450 PolarHBondContact O-N 2.95Å |
| 447 | L | 77.2 | Confident | 82 | Confident | 113 Ų | 113 | 104.3 Ų | 104.3 | 59% | 0.592 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63 | -39.5 | 175.5 | -71 | 170.6 | 0 | 0 | 0 | 111.1 | F443 L450 K451 | F443-L447 WeakPolarHBondContact O-CB 3.42Å; F443-L447 WeakPolarHBondContact O-CG 3.48Å; F443-L447 PolarHBondContact O-N 2.86Å; L447-L450 PolarHBondContact O-N 3.43Å; L447-K451 WeakPolarHBondContact O-CB 3.04Å; L447-K451 PolarHBondContact O-N 3.21Å |
| 448 | Y | 79.5 | Confident | 80.5 | Confident | 161 Ų | 161 | 107.2 Ų | 107.2 | 63% | 0.631 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.4 | -50.5 | 173.8 | -177.9 | -99.6 | 0 | 0 | 0 | 111.7 | A444 K446 K451 T452 | A444-Y448 WeakPolarHBondContact O-CB 3.08Å; A444-Y448 PolarHBondContact O-N 3.22Å; K446-Y448 VanDerWaalsContact C-N 3.33Å; Y448-K451 PolarHBondContact O-N 2.99Å; Y448-T452 HydrophobicContact CD1-CG2 4.25Å; Y448-T452 HydrophobicContact CE1-CG2 3.93Å; Y448-T452 HydrophobicContact CE2-CG2 4.39Å; Y448-T452 VanDerWaalsContact O-CG2 3.24Å; Y448-T452 WeakPolarHBondContact O-CG2 3.42Å; Y448-T452 PolarHBondContact O-N 3.37Å |
| 449 | L | 76.4 | Confident | 79.2 | Confident | 86 Ų | 86 | 110.5 Ų | 110.5 | 45% | 0.45 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.3 | -53.2 | 176.4 | -71.1 | 170.8 | 0 | 0 | 0 | 111.5 | K445 K446 K451 T452 E453 | K445-L449 WeakPolarHBondContact O-CG 3.31Å; K445-L449 PolarHBondContact O-N 3.23Å; K446-L449 PolarHBondContact O-N 3.41Å; L449-K451 PolarHBondContact O-N 2.58Å; L449-T452 PolarHBondContact O-N 3.06Å; L449-T452 PolarHBondContact O-OG1 3.16Å; L449-E453 WeakPolarHBondContact O-CG 3.4Å; L449-E453 PolarHBondContact O-N 3.1Å |
| 450 | L | 72.4 | Confident | 77.8 | Confident | 91 Ų | 91 | 109.9 Ų | 109.9 | 48% | 0.476 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.3 | -34.4 | 178 | -71.4 | 168.9 | 0 | 0 | 0 | 113 | K446 L447 N454 | K446-L450 WeakPolarHBondContact O-CB 3.2Å; K446-L450 VanDerWaalsContact O-CG 3.31Å; K446-L450 WeakPolarHBondContact O-CG 3.04Å; K446-L450 PolarHBondContact O-N 2.95Å; L447-L450 PolarHBondContact O-N 3.43Å; L450-N454 WeakPolarHBondContact O-CB 3.25Å; L450-N454 PolarHBondContact O-N 2.96Å; L450-N454 PolarHBondContact O-ND2 3.1Å |
| 451 | K | 78.1 | Confident | 76.3 | Confident | 154 Ų | 154 | 113.5 Ų | 113.5 | 67% | 0.67 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -70.5 | -41.2 | 175 | -170.8 | 171.3 | -176.7 | 176.6 | 0 | 111 | L447 Y448 L449 T455 | L447-K451 WeakPolarHBondContact O-CB 3.04Å; L447-K451 PolarHBondContact O-N 3.21Å; Y448-K451 PolarHBondContact O-N 2.99Å; L449-K451 PolarHBondContact O-N 2.58Å; K451-T455 WeakPolarHBondContact O-CB 3.36Å; K451-T455 PolarHBondContact O-N 3.23Å; K451-T455 PolarHBondContact O-OG1 3.47Å |
| 452 | T | 77.8 | Confident | 74.8 | Confident | 52 Ų | 52 | 117.2 Ų | 117.2 | 32% | 0.319 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.9 | -38.8 | 174.7 | 70.3 | 0 | 0 | 0 | 0 | 112.5 | Y448 L449 T455 K456 | Y448-T452 HydrophobicContact CD1-CG2 4.25Å; Y448-T452 HydrophobicContact CE1-CG2 3.93Å; Y448-T452 HydrophobicContact CE2-CG2 4.39Å; Y448-T452 VanDerWaalsContact O-CG2 3.24Å; Y448-T452 WeakPolarHBondContact O-CG2 3.42Å; Y448-T452 PolarHBondContact O-N 3.37Å; L449-T452 PolarHBondContact O-N 3.06Å; L449-T452 PolarHBondContact O-OG1 3.16Å; T452-T455 PolarHBondContact O-N 3.27Å; T452-K456 PolarHBondContact O-N 2.82Å |
| 453 | E | 77.2 | Confident | 73.4 | Confident | 110 Ų | 110 | 117.7 Ų | 117.7 | 51% | 0.514 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.1 | -45.8 | 176.5 | -68.9 | 176.7 | 161.4 | 0 | 0 | 111.7 | L449 T455 K456 L457 | L449-E453 WeakPolarHBondContact O-CG 3.4Å; L449-E453 PolarHBondContact O-N 3.1Å; E453-T455 VanDerWaalsContact C-N 3.33Å; E453-T455 PolarHBondContact O-N 2.81Å; E453-K456 WeakPolarHBondContact O-CB 3.31Å; E453-K456 PolarHBondContact O-N 2.04Å; E453-L457 PolarHBondContact O-N 3.03Å |
| 454 | N | 71.9 | Confident | 72.1 | Confident | 80 Ų | 80 | 119.2 Ų | 119.2 | 43% | 0.428 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.7 | -39.8 | 173.1 | -97.9 | -93.1 | 0 | 0 | 0 | 112.4 | L450 L457 R458 | L450-N454 WeakPolarHBondContact O-CB 3.25Å; L450-N454 PolarHBondContact O-N 2.96Å; L450-N454 PolarHBondContact O-ND2 3.1Å; N454-L457 PolarHBondContact O-N 3.06Å; N454-R458 WeakPolarHBondContact O-CG 3.12Å; N454-R458 PolarHBondContact O-N 2.96Å |
| 455 | T | 71.4 | Confident | 70.7 | Confident | 59 Ų | 59 | 121.6 Ų | 121.6 | 36% | 0.362 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.2 | -34.1 | 178 | -65 | 0 | 0 | 0 | 0 | 111.8 | K451 T452 E453 R459 | K451-T455 WeakPolarHBondContact O-CB 3.36Å; K451-T455 PolarHBondContact O-N 3.23Å; K451-T455 PolarHBondContact O-OG1 3.47Å; T452-T455 PolarHBondContact O-N 3.27Å; E453-T455 VanDerWaalsContact C-N 3.33Å; E453-T455 PolarHBondContact O-N 2.81Å; T455-R459 WeakPolarHBondContact O-CB 3.36Å; T455-R459 WeakPolarHBondContact O-CG 3.25Å; T455-R459 PolarHBondContact O-N 2.94Å |
| 456 | K | 66.8 | Low | 69 | Low | 152 Ų | 152 | 121.2 Ų | 121.2 | 66% | 0.661 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -61.6 | -48.4 | 168.7 | -77.8 | -178.9 | 177 | 177.5 | 0 | 111.6 | T452 E453 R458 R459 T460 | T452-K456 PolarHBondContact O-N 2.82Å; E453-K456 WeakPolarHBondContact O-CB 3.31Å; E453-K456 PolarHBondContact O-N 2.04Å; K456-R458 PolarHBondContact O-N 2.99Å; K456-R459 PolarHBondContact O-N 2.99Å; K456-T460 PolarHBondContact O-N 2.78Å; K456-T460 PolarHBondContact O-OG1 2.98Å |
| 457 | L | 62 | Low | 67.5 | Low | 114 Ų | 114 | 120.9 Ų | 120.9 | 60% | 0.597 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -60.3 | -39.2 | 177.1 | -85.6 | 157.1 | 0 | 0 | 0 | 113.2 | E453 N454 T460 K461 | E453-L457 PolarHBondContact O-N 3.03Å; N454-L457 PolarHBondContact O-N 3.06Å; L457-T460 PolarHBondContact O-OG1 3.06Å; L457-T460 VanDerWaalsContact O-OG1 3.14Å; L457-K461 WeakPolarHBondContact O-CB 3.06Å; L457-K461 PolarHBondContact O-N 3.07Å; L457-K461 VanDerWaalsContact O-N 3.11Å |
| 458 | R | 65 | Low | 66.5 | Low | 177 Ų | 177 | 122.2 Ų | 122.2 | 67% | 0.668 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.9 | -41.2 | 175.2 | -70.8 | 178.2 | -173.4 | -154.4 | 1.6 | 111.8 | N454 K456 K461 M462 | N454-R458 WeakPolarHBondContact O-CG 3.12Å; N454-R458 PolarHBondContact O-N 2.96Å; K456-R458 PolarHBondContact O-N 2.99Å; R458-K461 PolarHBondContact O-N 2.81Å; R458-M462 PolarHBondContact O-N 2.99Å |
| 459 | R | 64.6 | Low | 65.3 | Low | 176 Ų | 176 | 124.4 Ų | 124.4 | 66% | 0.664 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.2 | -45.1 | 176 | -77.3 | 179.9 | 176 | 169.8 | -0.4 | 112.4 | T455 K456 K461 M462 I463 | T455-R459 WeakPolarHBondContact O-CB 3.36Å; T455-R459 WeakPolarHBondContact O-CG 3.25Å; T455-R459 PolarHBondContact O-N 2.94Å; K456-R459 PolarHBondContact O-N 2.99Å; R459-K461 VanDerWaalsContact C-N 3.34Å; R459-K461 PolarHBondContact O-N 3.44Å; R459-M462 PolarHBondContact O-N 3.13Å; R459-I463 VanDerWaalsContact O-CG1 3.31Å; R459-I463 WeakPolarHBondContact O-CG1 3.38Å; R459-I463 PolarHBondContact O-N 3.06Å |
| 460 | T | 65.6 | Low | 64.1 | Low | 88 Ų | 88 | 125.8 Ų | 125.8 | 54% | 0.54 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -65.4 | -36.5 | 176.8 | 53.3 | 0 | 0 | 0 | 0 | 112.2 | K456 L457 I463 L464 | K456-T460 PolarHBondContact O-N 2.78Å; K456-T460 PolarHBondContact O-OG1 2.98Å; L457-T460 PolarHBondContact O-OG1 3.06Å; L457-T460 VanDerWaalsContact O-OG1 3.14Å; T460-I463 PolarHBondContact O-N 3.3Å; T460-L464 WeakPolarHBondContact O-CB 3.21Å; T460-L464 PolarHBondContact O-N 3.33Å |
| 461 | K | 63.2 | Low | 63.2 | Low | 159 Ų | 159 | 133.1 Ų | 133.1 | 69% | 0.691 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -63.5 | -42.6 | 172.7 | -125.9 | 175.5 | -176.7 | 179.3 | 0 | 112.6 | L457 R458 R459 L464 V465 | L457-K461 WeakPolarHBondContact O-CB 3.06Å; L457-K461 PolarHBondContact O-N 3.07Å; L457-K461 VanDerWaalsContact O-N 3.11Å; R458-K461 PolarHBondContact O-N 2.81Å; R459-K461 VanDerWaalsContact C-N 3.34Å; R459-K461 PolarHBondContact O-N 3.44Å; K461-L464 PolarHBondContact O-N 3.21Å; K461-V465 WeakPolarHBondContact O-CB 3.05Å; K461-V465 WeakPolarHBondContact O-CG2 3.38Å; K461-V465 PolarHBondContact O-N 3.29Å; K461-V465 VanDerWaalsContact O-N 3.12Å |
| 462 | M | 60.6 | Low | 61.8 | Low | 143 Ų | 143 | 137.6 Ų | 137.6 | 70% | 0.704 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -63.7 | -41.6 | 175 | -84.2 | -179.1 | 156 | 0 | 0 | 112.8 | R458 R459 L464 V465 L466 | R458-M462 PolarHBondContact O-N 2.99Å; R459-M462 PolarHBondContact O-N 3.13Å; M462-L464 VanDerWaalsContact C-N 3.33Å; M462-L464 PolarHBondContact O-N 3.16Å; M462-V465 CarbonylContact O-C 3.49Å; M462-V465 PolarHBondContact O-N 3.13Å; M462-V465 VanDerWaalsContact O-N 3.11Å; M462-L466 PolarHBondContact O-N 3.45Å |
| 463 | I | 60.5 | Low | 60.3 | Low | 124 Ų | 124 | 144.3 Ų | 144.3 | 64% | 0.636 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -63 | -40 | 176.8 | -67.8 | 163.3 | 0 | 0 | 0 | 110.9 | R459 T460 V465 L466 | R459-I463 VanDerWaalsContact O-CG1 3.31Å; R459-I463 WeakPolarHBondContact O-CG1 3.38Å; R459-I463 PolarHBondContact O-N 3.06Å; T460-I463 PolarHBondContact O-N 3.3Å; I463-V465 PolarHBondContact O-N 3.15Å; I463-L466 PolarHBondContact O-N 3.49Å |
| 464 | L | 60.1 | Low | 59 | Low | 151 Ų | 151 | 145.1 Ų | 145.1 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -69.5 | -20.6 | 175.9 | -152.4 | 79.3 | 0 | 0 | 0 | 113.3 | T460 K461 M462 | T460-L464 WeakPolarHBondContact O-CB 3.21Å; T460-L464 PolarHBondContact O-N 3.33Å; K461-L464 PolarHBondContact O-N 3.21Å; M462-L464 VanDerWaalsContact C-N 3.33Å; M462-L464 PolarHBondContact O-N 3.16Å |
| 465 | V | 58.6 | Low | 57.6 | Low | 109 Ų | 109 | 145.9 Ų | 145.9 | 66% | 0.661 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 11.4 | -179.4 | 172.7 | 0 | 0 | 0 | 0 | 112.2 | K461 M462 I463 P467 | K461-V465 WeakPolarHBondContact O-CB 3.05Å; K461-V465 WeakPolarHBondContact O-CG2 3.38Å; K461-V465 PolarHBondContact O-N 3.29Å; K461-V465 VanDerWaalsContact O-N 3.12Å; M462-V465 CarbonylContact O-C 3.49Å; M462-V465 PolarHBondContact O-N 3.13Å; M462-V465 VanDerWaalsContact O-N 3.11Å; I463-V465 PolarHBondContact O-N 3.15Å; V465-P467 WeakPolarHBondContact O-CD 3.04Å |
| 466 | L | 54.3 | Low | 57.3 | Low | 145 Ų | 145 | 149 Ų | 149 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | | | trans | -106.8 | 66.2 | 170 | -81.2 | 166.7 | 0 | 0 | 0 | 113.3 | M462 I463 | M462-L466 PolarHBondContact O-N 3.45Å; I463-L466 PolarHBondContact O-N 3.49Å |
| 467 | P | 55.1 | Low | 56.3 | Low | 95 Ų | 95 | 150.4 Ų | 150.4 | 62% | 0.617 | 78% | 0.784 | S | S | * | * | | | trans | -77.7 | 130.3 | 174.1 | 33.3 | -34.7 | 0 | 0 | 0 | 112.4 | V465 K469 | V465-P467 WeakPolarHBondContact O-CD 3.04Å; P467-K469 PolarHBondContact O-N 2.85Å |
| 468 | T | 56.3 | Low | 56 | Low | 140 Ų | 140 | 152.2 Ų | 152.2 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | | | trans | 48.9 | 70.4 | 141 | 63.5 | 0 | 0 | 0 | 0 | 118.3 | | |
| 469 | K | 53 | Low | 55.6 | Low | 208 Ų | 208 | 150.9 Ų | 150.9 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | | | trans | -136.3 | 32 | 165.2 | -146.2 | -175 | 177.4 | -178.5 | 0 | 117.2 | P467 | P467-K469 PolarHBondContact O-N 2.85Š|
| 470 | S | 52.4 | Low | 55.1 | Low | 114 Ų | 114 | 149.5 Ų | 149.5 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -156 | 97.4 | 154.1 | -165 | 0 | 0 | 0 | 0 | 113.5 | | |
| 471 | R | 53.6 | Low | 54.5 | Low | 246 Ų | 246 | 153.1 Ų | 153.1 | 93% | 0.928 | 82% | 0.823 | S | S | * | * | | | trans | -178.9 | 68.5 | 152.4 | -102.8 | 179 | -151.7 | -140.5 | 5 | 108.9 | | |
| 472 | R | 47.6 | Very low | 53.9 | Low | 248 Ų | 248 | 152.8 Ų | 152.8 | 94% | 0.936 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 127 | 162.1 | -144.6 | -168.9 | -64.3 | -120.2 | 10.2 | 106.5 | S474 | R472-S474 PolarHBondContact O-N 3.33Š|
| 473 | F | 47 | Very low | 53.5 | Low | 193 Ų | 193 | 153.4 Ų | 153.4 | 85% | 0.846 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 134.4 | 179.1 | -91.5 | -117.9 | 0 | 0 | 0 | 110.6 | | |
| 474 | S | 49.3 | Very low | 53 | Low | 126 Ų | 126 | 155.5 Ų | 155.5 | 88% | 0.881 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 129.4 | 146.7 | -172.5 | 0 | 0 | 0 | 0 | 106.5 | R472 | R472-S474 PolarHBondContact O-N 3.33Š|
| 475 | S | 43.6 | Very low | 52.4 | Low | 96 Ų | 96 | 155.8 Ų | 155.8 | 67% | 0.671 | 86% | 0.859 | S | S | * | * | | | trans | -143.6 | 141.3 | -177.7 | -164.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 476 | P | 64.9 | Low | 51.9 | Low | 126 Ų | 126 | 159.8 Ų | 159.8 | 82% | 0.818 | 88% | 0.875 | S | S | * | * | | | trans | -90 | 143.9 | -163.2 | 34.2 | -35.9 | 0 | 0 | 0 | 114 | | |
| 477 | A | 45.6 | Very low | 51.7 | Low | 180 Ų | 180 | 161.1 Ų | 161.1 | 100% | 1.488 | 89% | 0.886 | S | S | * | * | | | trans | -160.1 | 0 | 150.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |