| 1 | K | 82.7 | Confident | 89.2 | Confident | 268 Ų | 268 | 180.4 Ų | 180.4 | 100% | 1.165 | 78% | 0.781 | S | S | * | * | | | | 0 | 113.4 | 0 | -173.4 | 177.4 | -177.4 | 179.7 | 0 | 108.8 | | |
| 2 | R | 81.1 | Confident | 89.7 | Confident | 227 Ų | 227 | 170.7 Ų | 170.7 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 137.9 | -178.2 | -160.6 | 173 | 79.5 | -178.2 | 2.5 | 110.2 | | |
| 3 | R | 82.3 | Confident | 90.3 | Very high | 236 Ų | 236 | 170.2 Ų | 170.2 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 142.6 | 174.3 | -66.6 | -177.7 | 89.7 | 113 | -2.9 | 109.6 | | |
| 4 | R | 88.4 | Confident | 90.5 | Very high | 246 Ų | 246 | 164.7 Ų | 164.7 | 93% | 0.928 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 142.6 | 173.7 | -77.7 | -175 | 155.3 | -175.9 | -6.6 | 109.6 | | |
| 5 | R | 89.6 | Confident | 90.7 | Very high | 225 Ų | 225 | 160.3 Ų | 160.3 | 85% | 0.849 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 150.4 | 172.4 | -63.7 | -179 | 73.4 | 109.3 | -0.8 | 109.1 | | |
| 6 | I | 91.4 | Very high | 90.9 | Very high | 124 Ų | 124 | 159.2 Ų | 159.2 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 138 | 172.8 | 58.8 | 179.1 | 0 | 0 | 0 | 110.1 | M10 I11 | I6-M10 HydrophobicContact CB-CE 4.09Å; I6-M10 HydrophobicContact CG2-CE 4.38Å; I6-I11 HydrophobicContact CD1-CD1 3.82Å; I6-I11 HydrophobicContact CD1-CG1 4.04Å; I6-I11 HydrophobicContact CG1-CD1 4.46Å |
| 7 | D | 94.3 | Very high | 91 | Very high | 92 Ų | 92 | 160.5 Ų | 160.5 | 49% | 0.492 | 75% | 0.752 | S | S | . | * | P | Polyproline II helix | trans | -84.3 | 152.8 | 167.8 | -174.2 | -86.4 | 0 | 0 | 0 | 109.2 | S9 M10 | D7-S9 VanDerWaalsContact C-N 3.25Å; D7-S9 PolarHBondContact O-N 3.05Å; D7-S9 WeakPolarHBondContact OD1-CB 3.33Å; D7-S9 PolarHBondContact OD1-N 2.62Å; D7-S9 PolarHBondContact OD1-OG 3.32Å; D7-M10 HydrophobicContact CB-CE 3.82Å; D7-M10 HydrophobicContact CB-CG 4.48Å; D7-M10 WeakPolarHBondContact O-CB 3.38Å; D7-M10 PolarHBondContact O-N 3.27Å |
| 8 | R | 91.6 | Very high | 91 | Very high | 224 Ų | 224 | 158.1 Ų | 158.1 | 85% | 0.845 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -61.4 | -34.1 | -178 | -64.2 | 178.7 | -179.4 | -130.1 | 1.8 | 112.6 | M10 I11 | R8-M10 PolarHBondContact O-N 2.86Å; R8-M10 VanDerWaalsContact O-N 3.15Å; R8-I11 PolarHBondContact O-N 3.15Å |
| 9 | S | 94.6 | Very high | 91 | Very high | 106 Ų | 106 | 157.9 Ų | 157.9 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -62.1 | -17.6 | 175.1 | 59.4 | 0 | 0 | 0 | 0 | 113.6 | D7 | D7-S9 VanDerWaalsContact C-N 3.25Å; D7-S9 PolarHBondContact O-N 3.05Å; D7-S9 WeakPolarHBondContact OD1-CB 3.33Å; D7-S9 PolarHBondContact OD1-N 2.62Å; D7-S9 PolarHBondContact OD1-OG 3.32Å |
| 10 | M | 93.1 | Very high | 90.6 | Very high | 123 Ų | 123 | 153.9 Ų | 153.9 | 61% | 0.606 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -89.5 | -3.4 | 176.5 | -60.9 | -167.5 | -75.9 | 0 | 0 | 113.5 | I6 D7 R8 | I6-M10 HydrophobicContact CB-CE 4.09Å; I6-M10 HydrophobicContact CG2-CE 4.38Å; D7-M10 HydrophobicContact CB-CE 3.82Å; D7-M10 HydrophobicContact CB-CG 4.48Å; D7-M10 WeakPolarHBondContact O-CB 3.38Å; D7-M10 PolarHBondContact O-N 3.27Å; R8-M10 PolarHBondContact O-N 2.86Å; R8-M10 VanDerWaalsContact O-N 3.15Å |
| 11 | I | 92 | Very high | 90.1 | Very high | 113 Ų | 113 | 148.8 Ų | 148.8 | 58% | 0.579 | 72% | 0.718 | S | S | * | * | | | trans | -102.1 | 99 | 178.2 | -52.7 | 177 | 0 | 0 | 0 | 108.2 | I6 R8 | I6-I11 HydrophobicContact CD1-CD1 3.82Å; I6-I11 HydrophobicContact CD1-CG1 4.04Å; I6-I11 HydrophobicContact CG1-CD1 4.46Å; R8-I11 PolarHBondContact O-N 3.15Å |
| 12 | G | 95.3 | Very high | 90.2 | Very high | 64 Ų | 64 | 143 Ų | 143 | 66% | 0.66 | 69% | 0.694 | S | S | * | * | | | trans | -83.8 | -172.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 13 | E | 96.8 | Very high | 90.1 | Very high | 164 Ų | 164 | 135.4 Ų | 135.4 | 77% | 0.766 | 67% | 0.673 | S | S | * | * | | | trans | -62.4 | 146.7 | 177.5 | -66.9 | -59.2 | 143.2 | 0 | 0 | 112.6 | T15 | E13-T15 PolarHBondContact O-N 3.01Š|
| 14 | P | 93.1 | Very high | 89.9 | Confident | 94 Ų | 94 | 125.1 Ų | 125.1 | 61% | 0.61 | 64% | 0.64 | S | S | * | * | | | trans | -61.1 | 124 | 176.7 | -20.8 | 32.5 | 0 | 0 | 0 | 111.6 | F17 | P14-F17 HydrophobicContact CB-CE1 4.46Å; P14-F17 HydrophobicContact CB-CZ 3.97Å |
| 15 | T | 94.3 | Very high | 89.2 | Confident | 99 Ų | 99 | 116.5 Ų | 116.5 | 61% | 0.607 | 62% | 0.618 | S | S | * | * | | | trans | -139.3 | 166.8 | 177 | 56.5 | 0 | 0 | 0 | 0 | 109.6 | E13 | E13-T15 PolarHBondContact O-N 3.01Š|
| 16 | N | 93.3 | Very high | 88.4 | Confident | 142 Ų | 142 | 107.9 Ų | 107.9 | 76% | 0.759 | 60% | 0.599 | S | S | * | * | | | trans | 58.5 | 57.7 | 176.5 | -51.8 | -61.1 | 0 | 0 | 0 | 113.3 | V18 | N16-V18 PolarHBondContact O-N 3.28Š|
| 17 | F | 93 | Very high | 87.4 | Confident | 182 Ų | 182 | 105 Ų | 105 | 80% | 0.798 | 59% | 0.585 | S | S | * | * | | | trans | -61.9 | 126.1 | 176.8 | -66.9 | -83.5 | 0 | 0 | 0 | 110.8 | P14 | P14-F17 HydrophobicContact CB-CE1 4.46Å; P14-F17 HydrophobicContact CB-CZ 3.97Å |
| 18 | V | 90.6 | Very high | 86 | Confident | 116 Ų | 116 | 105.2 Ų | 105.2 | 70% | 0.703 | 59% | 0.585 | S | S | * | * | | | trans | -117 | 121 | 176.2 | -179.3 | 0 | 0 | 0 | 0 | 108.3 | N16 T20 | N16-V18 PolarHBondContact O-N 3.28Å; V18-T20 PolarHBondContact O-N 3.27Å; V18-T20 PolarHBondContact O-OG1 3.19Å |
| 19 | H | 91 | Very high | 84.8 | Confident | 156 Ų | 156 | 102.5 Ų | 102.5 | 72% | 0.722 | 58% | 0.58 | S | S | * | * | | | trans | -66.4 | 117.9 | 172.4 | -174.7 | 75.9 | 0 | 0 | 0 | 109.1 | A21 | H19-A21 PolarHBondContact CE1-O 3.23Å; H19-A21 VanDerWaalsContact CE1-O 3.28Å |
| 20 | T | 84.1 | Confident | 83.2 | Confident | 77 Ų | 77 | 102.4 Ų | 102.4 | 47% | 0.472 | 58% | 0.579 | S | S | . | * | | | trans | -100 | -45.9 | -172.6 | -66.8 | 0 | 0 | 0 | 0 | 112 | V18 Q41 | V18-T20 PolarHBondContact O-N 3.27Å; V18-T20 PolarHBondContact O-OG1 3.19Å; T20-Q41 HydrophobicContact CG2-CG 4.37Å; T20-Q41 VanDerWaalsContact CG2-OE1 3.28Å |
| 21 | A | 79.7 | Confident | 81.6 | Confident | 46 Ų | 46 | 97.9 Ų | 97.9 | 38% | 0.38 | 56% | 0.564 | S | S | . | * | | | trans | -158.1 | 159 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | H19 I38 | H19-A21 PolarHBondContact CE1-O 3.23Å; H19-A21 VanDerWaalsContact CE1-O 3.28Å; A21-I38 HydrophobicContact CB-CD1 3.91Å; A21-I38 HydrophobicContact CB-CG1 4.05Å |
| 22 | H | 84 | Confident | 80 | Confident | 147 Ų | 147 | 99.9 Ų | 99.9 | 68% | 0.681 | 57% | 0.573 | S | S | * | * | | | trans | -112.7 | 136.2 | 167.7 | -177.3 | 74.8 | 0 | 0 | 0 | 108.4 | | |
| 23 | V | 78.6 | Confident | 78.3 | Confident | 68 Ų | 68 | 103.3 Ų | 103.3 | 41% | 0.412 | 58% | 0.576 | S | S | . | * | | | trans | -126.5 | 106.8 | 173.6 | -177.7 | 0 | 0 | 0 | 0 | 106.7 | D27 L28 I38 | V23-D27 HydrophobicContact CG1-CB 4.14Å; V23-L28 HydrophobicContact CG1-CD1 4.29Å; V23-L28 HydrophobicContact CG1-CG 4.1Å; V23-I38 HydrophobicContact CG2-CD1 3.28Å |
| 24 | G | 79.8 | Confident | 76.7 | Confident | 19 Ų | 19 | 97.5 Ų | 97.5 | 20% | 0.196 | 55% | 0.554 | C | S | . | * | | | trans | -77.6 | 163.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | G26 D27 | G24-G26 PolarHBondContact O-N 3.14Å; G24-D27 WeakPolarHBondContact CA-OD2 3.49Å; G24-D27 PolarHBondContact N-OD2 3.4Å; G24-D27 WeakPolarHBondContact O-CB 3.48Å; G24-D27 PolarHBondContact O-N 3.11Å |
| 25 | S | 73.4 | Confident | 75.6 | Confident | 66 Ų | 66 | 95.8 Ų | 95.8 | 46% | 0.462 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -31.6 | 177.5 | 52.1 | 0 | 0 | 0 | 0 | 113 | F29 | S25-F29 WeakPolarHBondContact O-CD2 3.43Å; S25-F29 WeakPolarHBondContact O-CE2 3.38Å |
| 26 | G | 73 | Confident | 74.5 | Confident | 43 Ų | 43 | 93.2 Ų | 93.2 | 44% | 0.443 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -24.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | G24 L28 F29 S30 | G24-G26 PolarHBondContact O-N 3.14Å; G26-L28 VanDerWaalsContact C-N 3.3Å; G26-L28 PolarHBondContact O-N 3.38Å; G26-F29 PolarHBondContact O-N 2.93Å; G26-S30 WeakPolarHBondContact O-CB 3.42Å; G26-S30 PolarHBondContact O-N 3.28Å |
| 27 | D | 69.3 | Low | 73.5 | Confident | 65 Ų | 65 | 89.8 Ų | 89.8 | 35% | 0.348 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -22.6 | -173.1 | -60.6 | -31.4 | 0 | 0 | 0 | 112.7 | V23 G24 F29 S34 | V23-D27 HydrophobicContact CG1-CB 4.14Å; G24-D27 WeakPolarHBondContact CA-OD2 3.49Å; G24-D27 PolarHBondContact N-OD2 3.4Å; G24-D27 WeakPolarHBondContact O-CB 3.48Å; G24-D27 PolarHBondContact O-N 3.11Å; D27-F29 VanDerWaalsContact C-N 3.35Å; D27-S34 PolarHBondContact O-OG 3.17Å |
| 28 | L | 66.4 | Low | 72.7 | Confident | 95 Ų | 95 | 82.7 Ų | 82.7 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -31.2 | 173.5 | -71.7 | 142.2 | 0 | 0 | 0 | 111.7 | V23 G26 | V23-L28 HydrophobicContact CG1-CD1 4.29Å; V23-L28 HydrophobicContact CG1-CG 4.1Å; G26-L28 VanDerWaalsContact C-N 3.3Å; G26-L28 PolarHBondContact O-N 3.38Å |
| 29 | F | 64.8 | Low | 72.1 | Confident | 167 Ų | 167 | 81 Ų | 81 | 73% | 0.732 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -23 | -179.3 | -58 | -72.6 | 0 | 0 | 0 | 112.8 | S25 G26 D27 G31 | S25-F29 WeakPolarHBondContact O-CD2 3.43Å; S25-F29 WeakPolarHBondContact O-CE2 3.38Å; G26-F29 PolarHBondContact O-N 2.93Å; D27-F29 VanDerWaalsContact C-N 3.35Å; F29-G31 PolarHBondContact O-N 3.27Å |
| 30 | S | 62.7 | Low | 71.5 | Confident | 104 Ų | 104 | 78.3 Ų | 78.3 | 73% | 0.727 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -77.1 | -2.3 | -178.9 | -168.9 | 0 | 0 | 0 | 0 | 114.6 | G26 | G26-S30 WeakPolarHBondContact O-CB 3.42Å; G26-S30 PolarHBondContact O-N 3.28Å |
| 31 | G | 58.1 | Low | 71.3 | Confident | 28 Ų | 28 | 80.1 Ų | 80.1 | 29% | 0.289 | 46% | 0.463 | S | S | . | . | | | trans | 125.5 | 144.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 115 | F29 N33 S34 | F29-G31 PolarHBondContact O-N 3.27Å; G31-N33 PolarHBondContact O-N 3.2Å; G31-S34 PolarHBondContact O-N 2.91Å; G31-S34 PolarHBondContact O-OG 3.07Å |
| 32 | M | 58.7 | Low | 71.3 | Confident | 156 Ų | 156 | 82.3 Ų | 82.3 | 77% | 0.768 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.6 | -15.3 | -176.9 | -162.5 | 67.8 | 134.5 | 0 | 0 | 117 | S36 | M32-S36 WeakPolarHBondContact O-CB 3.11Å; M32-S36 PolarHBondContact O-N 3.23Å; M32-S36 VanDerWaalsContact O-N 3.11Å; M32-S36 PolarHBondContact O-OG 3.04Å |
| 33 | N | 59.8 | Low | 71 | Confident | 135 Ų | 135 | 79.6 Ų | 79.6 | 72% | 0.722 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -70.1 | -39.5 | -175.7 | -63.3 | -50.4 | 0 | 0 | 0 | 112.6 | G31 S36 S37 | G31-N33 PolarHBondContact O-N 3.2Å; N33-S36 PolarHBondContact O-OG 3.23Å; N33-S37 PolarHBondContact O-N 3.16Å |
| 34 | S | 62.8 | Low | 70.7 | Confident | 42 Ų | 42 | 81.3 Ų | 81.3 | 29% | 0.294 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.8 | -46.7 | 177.7 | 53.9 | 0 | 0 | 0 | 0 | 110.9 | D27 G31 S36 S37 I38 | D27-S34 PolarHBondContact O-OG 3.17Å; G31-S34 PolarHBondContact O-N 2.91Å; G31-S34 PolarHBondContact O-OG 3.07Å; S34-S36 PolarHBondContact O-N 3.35Å; S34-S37 PolarHBondContact O-N 2.75Å; S34-S37 PolarHBondContact O-OG 3.06Å; S34-I38 PolarHBondContact O-N 3.41Å |
| 35 | V | 69.7 | Low | 70.4 | Confident | 59 Ų | 59 | 90 Ų | 90 | 36% | 0.358 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.4 | -40.1 | -178.3 | -174.6 | 0 | 0 | 0 | 0 | 112 | S37 I38 Q39 | V35-S37 PolarHBondContact O-N 2.98Å; V35-I38 PolarHBondContact O-N 2.97Å; V35-Q39 WeakPolarHBondContact O-CB 3.36Å; V35-Q39 PolarHBondContact O-N 2.76Å |
| 36 | S | 72.4 | Confident | 70.1 | Confident | 45 Ų | 45 | 89.1 Ų | 89.1 | 32% | 0.315 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.2 | -35.8 | 179.9 | 64.8 | 0 | 0 | 0 | 0 | 113.1 | M32 N33 S34 Q39 N40 | M32-S36 WeakPolarHBondContact O-CB 3.11Å; M32-S36 PolarHBondContact O-N 3.23Å; M32-S36 VanDerWaalsContact O-N 3.11Å; M32-S36 PolarHBondContact O-OG 3.04Å; N33-S36 PolarHBondContact O-OG 3.23Å; S34-S36 PolarHBondContact O-N 3.35Å; S36-Q39 PolarHBondContact O-N 3.04Å; S36-N40 WeakPolarHBondContact O-CB 3.34Å; S36-N40 VanDerWaalsContact O-CG 3.3Å; S36-N40 PolarHBondContact O-N 3.1Å; S36-N40 PolarHBondContact O-ND2 3.25Å |
| 37 | S | 71.9 | Confident | 69.6 | Low | 70 Ų | 70 | 90.2 Ų | 90.2 | 49% | 0.49 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 176.4 | 73.7 | 0 | 0 | 0 | 0 | 112.2 | N33 S34 V35 N40 Q41 | N33-S37 PolarHBondContact O-N 3.16Å; S34-S37 PolarHBondContact O-N 2.75Å; S34-S37 PolarHBondContact O-OG 3.06Å; V35-S37 PolarHBondContact O-N 2.98Å; S37-N40 PolarHBondContact O-N 2.91Å; S37-Q41 PolarHBondContact O-N 3.16Å; S37-Q41 VanDerWaalsContact O-N 3.16Å |
| 38 | I | 76.1 | Confident | 69.6 | Low | 32 Ų | 32 | 92.6 Ų | 92.6 | 16% | 0.164 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 176.9 | -70.5 | 176.1 | 0 | 0 | 0 | 110.7 | A21 V23 S34 V35 N40 Q41 M42 | A21-I38 HydrophobicContact CB-CD1 3.91Å; A21-I38 HydrophobicContact CB-CG1 4.05Å; V23-I38 HydrophobicContact CG2-CD1 3.28Å; S34-I38 PolarHBondContact O-N 3.41Å; V35-I38 PolarHBondContact O-N 2.97Å; I38-N40 VanDerWaalsContact C-N 3.3Å; I38-N40 PolarHBondContact O-N 3.26Å; I38-Q41 PolarHBondContact O-N 2.86Å; I38-M42 HydrophobicContact CG2-CE 3.21Å; I38-M42 HydrophobicContact CG2-SD 4.4Å; I38-M42 PolarHBondContact O-N 3.06Å |
| 39 | Q | 78.3 | Confident | 69.2 | Low | 81 Ų | 81 | 92 Ų | 92 | 38% | 0.379 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.8 | -44.4 | 176.1 | -167.7 | -179.8 | -5.6 | 0 | 0 | 111.2 | V35 S36 Q41 M42 Q43 Y48 | V35-Q39 WeakPolarHBondContact O-CB 3.36Å; V35-Q39 PolarHBondContact O-N 2.76Å; S36-Q39 PolarHBondContact O-N 3.04Å; Q39-Q41 VanDerWaalsContact C-N 3.27Å; Q39-Q41 PolarHBondContact O-N 2.93Å; Q39-M42 PolarHBondContact O-N 2.89Å; Q39-Q43 WeakPolarHBondContact O-CB 3.45Å; Q39-Q43 PolarHBondContact O-N 3.27Å; Q39-Y48 HydrophobicContact CB-CE2 4.31Å; Q39-Y48 HydrophobicContact CG-CD2 3.41Å; Q39-Y48 VanDerWaalsContact CG-CD2 3.41Å; Q39-Y48 HydrophobicContact CG-CE2 3.18Å; Q39-Y48 HydrophobicContact CG-CG 4.23Å; Q39-Y48 VanDerWaalsContact NE2-CD2 3.25Å |
| 40 | N | 77.8 | Confident | 68.9 | Low | 100 Ų | 100 | 87.1 Ų | 87.1 | 54% | 0.535 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.1 | -32.8 | 178.2 | -78.6 | -32.6 | 0 | 0 | 0 | 113.2 | S36 S37 I38 Q43 | S36-N40 WeakPolarHBondContact O-CB 3.34Å; S36-N40 VanDerWaalsContact O-CG 3.3Å; S36-N40 PolarHBondContact O-N 3.1Å; S36-N40 PolarHBondContact O-ND2 3.25Å; S37-N40 PolarHBondContact O-N 2.91Å; I38-N40 VanDerWaalsContact C-N 3.3Å; I38-N40 PolarHBondContact O-N 3.26Å; N40-Q43 WeakPolarHBondContact O-CG 3.48Å; N40-Q43 PolarHBondContact O-NE2 3.39Å; N40-Q43 PolarHBondContact OD1-NE2 3.11Å |
| 41 | Q | 79.8 | Confident | 68.5 | Low | 115 Ų | 115 | 85.6 Ų | 85.6 | 54% | 0.537 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -73.4 | -37.3 | 176.5 | -168.8 | 173.3 | 2.8 | 0 | 0 | 112.3 | T20 S37 I38 Q39 | T20-Q41 HydrophobicContact CG2-CG 4.37Å; T20-Q41 VanDerWaalsContact CG2-OE1 3.28Å; S37-Q41 PolarHBondContact O-N 3.16Å; S37-Q41 VanDerWaalsContact O-N 3.16Å; I38-Q41 PolarHBondContact O-N 2.86Å; Q39-Q41 VanDerWaalsContact C-N 3.27Å; Q39-Q41 PolarHBondContact O-N 2.93Å |
| 42 | M | 79.1 | Confident | 68.4 | Low | 91 Ų | 91 | 92.7 Ų | 92.7 | 45% | 0.448 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -96 | -11.6 | -172.2 | -64.9 | -170.4 | -59.3 | 0 | 0 | 115.3 | I38 Q39 S44 K45 | I38-M42 HydrophobicContact CG2-CE 3.21Å; I38-M42 HydrophobicContact CG2-SD 4.4Å; I38-M42 PolarHBondContact O-N 3.06Å; Q39-M42 PolarHBondContact O-N 2.89Å; M42-S44 PolarHBondContact O-N 3.47Å; M42-K45 PolarHBondContact O-N 2.95Å |
| 43 | Q | 78.7 | Confident | 68.2 | Low | 90 Ų | 90 | 91.1 Ų | 91.1 | 42% | 0.421 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -60.5 | -13.9 | -178.9 | 66.8 | -173.1 | -35.6 | 0 | 0 | 115 | Q39 N40 K45 G46 Y48 | Q39-Q43 WeakPolarHBondContact O-CB 3.45Å; Q39-Q43 PolarHBondContact O-N 3.27Å; N40-Q43 WeakPolarHBondContact O-CG 3.48Å; N40-Q43 PolarHBondContact O-NE2 3.39Å; N40-Q43 PolarHBondContact OD1-NE2 3.11Å; Q43-K45 PolarHBondContact O-N 3.43Å; Q43-K45 VanDerWaalsContact O-N 3.11Å; Q43-G46 CarbonylContact O-C 3.48Å; Q43-G46 PolarHBondContact O-N 3.37Å; Q43-Y48 HydrophobicContact CB-CD2 4.2Å; Q43-Y48 HydrophobicContact CB-CE2 3.79Å |
| 44 | S | 72.5 | Confident | 68 | Low | 104 Ų | 104 | 88.3 Ų | 88.3 | 73% | 0.727 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -64 | -14.3 | -179.7 | 64.8 | 0 | 0 | 0 | 0 | 114.1 | M42 | M42-S44 PolarHBondContact O-N 3.47Š|
| 45 | K | 73.9 | Confident | 67.6 | Low | 202 Ų | 202 | 92.8 Ų | 92.8 | 88% | 0.878 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -97.8 | -2.4 | -178.5 | -60.3 | -170.1 | -178.9 | -139.2 | 0 | 114.4 | M42 Q43 | M42-K45 PolarHBondContact O-N 2.95Å; Q43-K45 PolarHBondContact O-N 3.43Å; Q43-K45 VanDerWaalsContact O-N 3.11Å |
| 46 | G | 67.4 | Low | 67.1 | Low | 47 Ų | 47 | 94.7 Ų | 94.7 | 49% | 0.485 | 59% | 0.593 | S | S | . | * | S | Bend | trans | 150.8 | 123.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | Q43 | Q43-G46 CarbonylContact O-C 3.48Å; Q43-G46 PolarHBondContact O-N 3.37Å |
| 47 | G | 62 | Low | 66.2 | Low | 67 Ų | 67 | 100.6 Ų | 100.6 | 69% | 0.691 | 62% | 0.616 | S | S | * | * | | | trans | -67.4 | 146 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G49 | G47-G49 PolarHBondContact O-N 3.45Š|
| 48 | Y | 68.2 | Low | 65.6 | Low | 115 Ų | 115 | 103.9 Ų | 103.9 | 45% | 0.451 | 63% | 0.625 | S | S | . | * | | | trans | -78.4 | 46.5 | 176.2 | -53.2 | -83.1 | 0 | 0 | 0 | 111.8 | Q39 Q43 G50 | Q39-Y48 HydrophobicContact CB-CE2 4.31Å; Q39-Y48 HydrophobicContact CG-CD2 3.41Å; Q39-Y48 VanDerWaalsContact CG-CD2 3.41Å; Q39-Y48 HydrophobicContact CG-CE2 3.18Å; Q39-Y48 HydrophobicContact CG-CG 4.23Å; Q39-Y48 VanDerWaalsContact NE2-CD2 3.25Å; Q43-Y48 HydrophobicContact CB-CD2 4.2Å; Q43-Y48 HydrophobicContact CB-CE2 3.79Å; Y48-G50 PolarHBondContact O-N 2.75Å; Y48-G50 VanDerWaalsContact O-N 3.1Å |
| 49 | G | 59.4 | Low | 64.7 | Low | 82 Ų | 82 | 110.6 Ų | 110.6 | 85% | 0.845 | 66% | 0.656 | S | S | * | * | | | trans | -74.7 | 97.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | G47 | G47-G49 PolarHBondContact O-N 3.45Š|
| 50 | G | 57.9 | Low | 64 | Low | 65 Ų | 65 | 112.4 Ų | 112.4 | 67% | 0.67 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 107.2 | 76.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111 | Y48 M52 | Y48-G50 PolarHBondContact O-N 2.75Å; Y48-G50 VanDerWaalsContact O-N 3.1Å; G50-M52 PolarHBondContact O-N 3.39Å |
| 51 | G | 54 | Low | 63.9 | Low | 71 Ų | 71 | 112.8 Ų | 112.8 | 73% | 0.732 | 67% | 0.673 | S | S | * | * | | | trans | -59.5 | 99.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | S53 | G51-S53 VanDerWaalsContact C-N 3.34Å; G51-S53 PolarHBondContact O-N 3.39Å |
| 52 | M | 55 | Low | 63.5 | Low | 177 Ų | 177 | 115.1 Ų | 115.1 | 87% | 0.872 | 69% | 0.689 | S | S | * | * | | | trans | -61.7 | 107.2 | 152.9 | -67.6 | -65.9 | 154.8 | 0 | 0 | 105.1 | G50 A54 | G50-M52 PolarHBondContact O-N 3.39Å; M52-A54 PolarHBondContact O-N 3.33Å |
| 53 | S | 55.9 | Low | 63.4 | Low | 124 Ų | 124 | 117 Ų | 117 | 87% | 0.867 | 71% | 0.706 | S | S | * | * | | | trans | -64.1 | 84 | 163.8 | -79.9 | 0 | 0 | 0 | 0 | 106.7 | G51 N55 | G51-S53 VanDerWaalsContact C-N 3.34Å; G51-S53 PolarHBondContact O-N 3.39Å; S53-N55 PolarHBondContact O-N 2.97Å |
| 54 | A | 55.8 | Low | 62.9 | Low | 75 Ų | 75 | 122.1 Ų | 122.1 | 62% | 0.62 | 73% | 0.727 | S | S | * | * | | | trans | -68.8 | 103.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 105.6 | M52 V56 | M52-A54 PolarHBondContact O-N 3.33Å; A54-V56 HydrophobicContact CB-CG2 3.74Å; A54-V56 PolarHBondContact O-N 3.39Å |
| 55 | N | 53.5 | Low | 62.6 | Low | 136 Ų | 136 | 121.7 Ų | 121.7 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | | | trans | -70.7 | 81.3 | 165.8 | -168.7 | -41.9 | 0 | 0 | 0 | 106.7 | S53 Q57 | S53-N55 PolarHBondContact O-N 2.97Å; N55-Q57 PolarHBondContact O-N 3.19Å |
| 56 | V | 59.9 | Low | 61.6 | Low | 100 Ų | 100 | 119.3 Ų | 119.3 | 61% | 0.606 | 76% | 0.762 | S | S | * | * | | | trans | -84.1 | 94.3 | 174.9 | -168.7 | 0 | 0 | 0 | 0 | 106.5 | A54 M58 | A54-V56 HydrophobicContact CB-CG2 3.74Å; A54-V56 PolarHBondContact O-N 3.39Å; V56-M58 HydrophobicContact CG1-CG 3.71Å; V56-M58 HydrophobicContact CG1-SD 3.94Å; V56-M58 PolarHBondContact O-N 3.34Å |
| 57 | Q | 53.4 | Low | 61.3 | Low | 168 Ų | 168 | 122.9 Ų | 122.9 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | | | trans | -69.9 | 87 | 162.5 | -72.1 | -178.9 | 19.2 | 0 | 0 | 107.6 | N55 Q59 | N55-Q57 PolarHBondContact O-N 3.19Å; Q57-Q59 VanDerWaalsContact C-N 3.28Å; Q57-Q59 PolarHBondContact O-N 3.31Å |
| 58 | M | 59.4 | Low | 61.3 | Low | 139 Ų | 139 | 125.8 Ų | 125.8 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | | | trans | -68.9 | 89.5 | 169.6 | -73.5 | -75.4 | -84.7 | 0 | 0 | 107.9 | V56 L60 | V56-M58 HydrophobicContact CG1-CG 3.71Å; V56-M58 HydrophobicContact CG1-SD 3.94Å; V56-M58 PolarHBondContact O-N 3.34Å; M58-L60 PolarHBondContact O-N 3.2Å |
| 59 | Q | 57.8 | Low | 60.9 | Low | 173 Ų | 173 | 126.4 Ų | 126.4 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | | | trans | -70.4 | 108.9 | 171.9 | -174.3 | 173.8 | -3.7 | 0 | 0 | 108.6 | Q57 V61 | Q57-Q59 VanDerWaalsContact C-N 3.28Å; Q57-Q59 PolarHBondContact O-N 3.31Å; Q59-V61 PolarHBondContact O-N 3.42Å |
| 60 | L | 62.3 | Low | 61 | Low | 120 Ų | 120 | 129.1 Ų | 129.1 | 63% | 0.628 | 80% | 0.796 | S | S | * | * | | | trans | -64.3 | 117.8 | 171.6 | -83.1 | 143.6 | 0 | 0 | 0 | 108.8 | M58 | M58-L60 PolarHBondContact O-N 3.2Š|
| 61 | V | 75.2 | Confident | 61.2 | Low | 108 Ų | 108 | 133.1 Ų | 133.1 | 66% | 0.655 | 80% | 0.804 | S | S | * | * | | | trans | -108.6 | 118.7 | 169.4 | -65.1 | 0 | 0 | 0 | 0 | 108.5 | Q59 T63 | Q59-V61 PolarHBondContact O-N 3.42Å; V61-T63 PolarHBondContact O-N 2.79Å; V61-T63 VanDerWaalsContact O-N 3.14Å |
| 62 | D | 72.3 | Confident | 61.7 | Low | 164 Ų | 164 | 137.2 Ų | 137.2 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | | | trans | -70.5 | 109.8 | 176.1 | -67.3 | -37.7 | 0 | 0 | 0 | 108.9 | | |
| 63 | T | 76.7 | Confident | 62.2 | Low | 129 Ų | 129 | 134.4 Ų | 134.4 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | | | trans | -91.6 | 109.4 | 169.6 | -44.1 | 0 | 0 | 0 | 0 | 107.2 | V61 A65 | V61-T63 PolarHBondContact O-N 2.79Å; V61-T63 VanDerWaalsContact O-N 3.14Å; T63-A65 PolarHBondContact O-N 2.98Å |
| 64 | K | 68.9 | Low | 62.7 | Low | 198 Ų | 198 | 135.2 Ų | 135.2 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | | | trans | -60.6 | 119.8 | 175.5 | -164.1 | -175.1 | -177.5 | 79.1 | 0 | 108.2 | G66 | K64-G66 PolarHBondContact O-N 3.28Š|
| 65 | A | 64.7 | Low | 63.2 | Low | 96 Ų | 96 | 140.2 Ų | 140.2 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | | | trans | -64 | 120.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | T63 | T63-A65 PolarHBondContact O-N 2.98Š|
| 66 | G | 54.5 | Low | 64.1 | Low | 151 Ų | 151 | 140.5 Ų | 140.5 | 100% | 1.557 | 82% | 0.822 | S | S | * | * | | | trans | -77.1 | 0 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K64 | K64-G66 PolarHBondContact O-N 3.28Š|