| 1 | M | 43 | Very low | 55.5 | Low | 238 Ų | 238 | 152.4 Ų | 152.4 | 100% | 1.172 | 83% | 0.833 | S | S | * | * | | | | 0 | 97.3 | 0 | -173.9 | 160.7 | 74.9 | 0 | 0 | 108.1 | | |
| 2 | V | 44.2 | Very low | 56.7 | Low | 138 Ų | 138 | 148.3 Ų | 148.3 | 84% | 0.836 | 82% | 0.82 | S | S | * | * | | | trans | -109.8 | 104.5 | 177.5 | -170.4 | 0 | 0 | 0 | 0 | 107.4 | R4 | V2-R4 PolarHBondContact O-N 3.19Š|
| 3 | A | 53.7 | Low | 57.7 | Low | 96 Ų | 96 | 146.2 Ų | 146.2 | 79% | 0.793 | 82% | 0.818 | S | S | * | * | | | trans | -71.7 | 112.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | G5 | A3-G5 PolarHBondContact O-N 3.01Š|
| 4 | R | 53 | Low | 58.4 | Low | 237 Ų | 237 | 148.8 Ų | 148.8 | 89% | 0.894 | 82% | 0.816 | S | S | * | * | | | trans | -75.6 | 105.5 | 171.1 | -72.6 | -177.3 | 170.2 | 169.4 | -2.5 | 108.2 | V2 S6 | V2-R4 PolarHBondContact O-N 3.19Å; R4-S6 PolarHBondContact O-N 2.9Å |
| 5 | G | 54.7 | Low | 59.2 | Low | 70 Ų | 70 | 146.7 Ų | 146.7 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | | | trans | -67 | 114.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | A3 R7 | A3-G5 PolarHBondContact O-N 3.01Å; G5-R7 PolarHBondContact O-N 2.81Å; G5-R7 VanDerWaalsContact O-N 3.16Å |
| 6 | S | 57 | Low | 60.1 | Low | 117 Ų | 117 | 143.4 Ų | 143.4 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -72.8 | 99.6 | 170.5 | -60.4 | 0 | 0 | 0 | 0 | 109 | R4 S8 | R4-S6 PolarHBondContact O-N 2.9Å; S6-S8 PolarHBondContact O-N 2.9Å; S6-S8 VanDerWaalsContact O-N 3.07Å |
| 7 | R | 58.9 | Low | 61.4 | Low | 224 Ų | 224 | 139.4 Ų | 139.4 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | | | trans | -69.7 | 99.8 | 171.1 | -67.3 | -178 | -119.7 | -175 | -1.1 | 108.5 | G5 I9 | G5-R7 PolarHBondContact O-N 2.81Å; G5-R7 VanDerWaalsContact O-N 3.16Å; R7-I9 HydrophobicContact CB-CG1 4.24Å; R7-I9 PolarHBondContact O-N 2.74Å |
| 8 | S | 59.5 | Low | 62.6 | Low | 117 Ų | 117 | 138.9 Ų | 138.9 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | -71.5 | 78.7 | 168.4 | 43.9 | 0 | 0 | 0 | 0 | 109.4 | S6 L10 | S6-S8 PolarHBondContact O-N 2.9Å; S6-S8 VanDerWaalsContact O-N 3.07Å; S8-L10 PolarHBondContact O-N 3.36Å |
| 9 | I | 58 | Low | 63.6 | Low | 132 Ų | 132 | 135.2 Ų | 135.2 | 68% | 0.677 | 74% | 0.744 | S | S | * | * | | | trans | -66.3 | 99.5 | 174.6 | -52.1 | 172.6 | 0 | 0 | 0 | 107.9 | R7 I11 | R7-I9 HydrophobicContact CB-CG1 4.24Å; R7-I9 PolarHBondContact O-N 2.74Å; I9-I11 PolarHBondContact O-N 2.93Å |
| 10 | L | 62.4 | Low | 64.6 | Low | 158 Ų | 158 | 134.8 Ų | 134.8 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | | | trans | 44.7 | 44.1 | 141.4 | -53.2 | 175 | 0 | 0 | 0 | 117.9 | S8 P12 | S8-L10 PolarHBondContact O-N 3.36Å; L10-P12 WeakPolarHBondContact O-CD 3.43Å |
| 11 | I | 66.5 | Low | 65.7 | Low | 149 Ų | 149 | 131.6 Ų | 131.6 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | | | trans | -78.2 | 110.7 | 166.1 | -55.2 | 176.9 | 0 | 0 | 0 | 106.7 | I9 | I9-I11 PolarHBondContact O-N 2.93Š|
| 12 | P | 69.3 | Low | 67.6 | Low | 103 Ų | 103 | 125 Ų | 125 | 67% | 0.669 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 138.5 | 172.5 | 22.3 | -30.4 | 0 | 0 | 0 | 108.5 | L10 K14 | L10-P12 WeakPolarHBondContact O-CD 3.43Å; P12-K14 PolarHBondContact O-N 3.08Å |
| 13 | P | 69.7 | Low | 69.5 | Low | 122 Ų | 122 | 123.3 Ų | 123.3 | 79% | 0.792 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 131.5 | 178.7 | -22.9 | 30.8 | 0 | 0 | 0 | 109.5 | P15 | P13-P15 WeakPolarHBondContact O-CD 3.13Å; P13-P15 VanDerWaalsContact O-N 3.14Å |
| 14 | K | 68.1 | Low | 70.8 | Confident | 182 Ų | 182 | 119.3 Ų | 119.3 | 79% | 0.791 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 123.1 | 172.9 | -77.1 | 171.4 | 174.2 | 172.8 | 0 | 107.4 | P12 T16 | P12-K14 PolarHBondContact O-N 3.08Å; K14-T16 PolarHBondContact O-N 3.2Å; K14-T16 VanDerWaalsContact O-N 3.16Å |
| 15 | P | 69.8 | Low | 72.2 | Confident | 117 Ų | 117 | 116.1 Ų | 116.1 | 76% | 0.76 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 120.6 | -178.1 | 22.9 | -30.9 | 0 | 0 | 0 | 109.2 | P13 V17 | P13-P15 WeakPolarHBondContact O-CD 3.13Å; P13-P15 VanDerWaalsContact O-N 3.14Å; P15-V17 PolarHBondContact O-N 2.88Å |
| 16 | T | 74.7 | Confident | 73.2 | Confident | 95 Ų | 95 | 114.5 Ų | 114.5 | 58% | 0.583 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 118.6 | 172.8 | -54.3 | 0 | 0 | 0 | 0 | 108.5 | K14 F18 I23 | K14-T16 PolarHBondContact O-N 3.2Å; K14-T16 VanDerWaalsContact O-N 3.16Å; T16-F18 HydrophobicContact CG2-CE2 4.06Å; T16-I23 HydrophobicContact CG2-CG2 3.72Å |
| 17 | V | 81.6 | Confident | 73.8 | Confident | 74 Ų | 74 | 116.3 Ų | 116.3 | 45% | 0.448 | 65% | 0.646 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.9 | 134.9 | -179.3 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | P15 I19 A24 | P15-V17 PolarHBondContact O-N 2.88Å; V17-I19 HydrophobicContact CG1-CG1 4.44Å; V17-A24 HydrophobicContact CB-CB 4.35Å; V17-A24 WeakPolarHBondContact O-CB 3.26Å; V17-A24 PolarHBondContact O-N 3.48Å |
| 18 | F | 83.2 | Confident | 74.5 | Confident | 132 Ų | 132 | 113.5 Ų | 113.5 | 58% | 0.579 | 64% | 0.64 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.3 | 125.7 | 172.1 | -71.1 | -98.8 | 0 | 0 | 0 | 109.6 | T16 V22 I23 | T16-F18 HydrophobicContact CG2-CE2 4.06Å; F18-V22 CarbonylContact C-O 3.59Å; F18-V22 VanDerWaalsContact CA-O 3.31Å; F18-V22 WeakPolarHBondContact CA-O 3.36Å; F18-I23 HydrophobicContact CD1-CG1 3.82Å; F18-I23 HydrophobicContact CE1-CB 4.43Å; F18-I23 HydrophobicContact CE1-CD1 4Å; F18-I23 HydrophobicContact CE1-CG1 3.21Å; F18-I23 HydrophobicContact CE2-CG1 4.44Å; F18-I23 HydrophobicContact CZ-CD1 4.08Å; F18-I23 HydrophobicContact CZ-CG1 3.57Å |
| 19 | I | 81.2 | Confident | 75.3 | Confident | 68 Ų | 68 | 111.1 Ų | 111.1 | 35% | 0.349 | 62% | 0.618 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.9 | 117 | 175.1 | -47.9 | 167.6 | 0 | 0 | 0 | 106.4 | V17 G21 V22 A24 F30 | V17-I19 HydrophobicContact CG1-CG1 4.44Å; I19-G21 PolarHBondContact O-N 3.26Å; I19-V22 PolarHBondContact N-O 3.07Å; I19-V22 WeakPolarHBondContact O-CG2 3.47Å; I19-V22 PolarHBondContact O-N 2.86Å; I19-A24 HydrophobicContact CD1-CB 3.92Å; I19-A24 HydrophobicContact CG1-CB 4.22Å; I19-F30 HydrophobicContact CD1-CE1 4.01Å; I19-F30 HydrophobicContact CD1-CE2 3.71Å; I19-F30 HydrophobicContact CD1-CZ 3.18Å; I19-F30 HydrophobicContact CG1-CZ 4.08Å |
| 20 | S | 84.6 | Confident | 76 | Confident | 127 Ų | 127 | 108.8 Ų | 108.8 | 89% | 0.888 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 54.4 | 27.6 | 176.2 | -40.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 21 | G | 87.6 | Confident | 77.1 | Confident | 68 Ų | 68 | 105.2 Ų | 105.2 | 70% | 0.701 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.2 | -4.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116 | I19 | I19-G21 PolarHBondContact O-N 3.26Š|
| 22 | V | 81.8 | Confident | 77.7 | Confident | 98 Ų | 98 | 102.9 Ų | 102.9 | 59% | 0.594 | 58% | 0.584 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.3 | 140.7 | 174.2 | -64.5 | 0 | 0 | 0 | 0 | 111.9 | F18 I19 A24 | F18-V22 CarbonylContact C-O 3.59Å; F18-V22 VanDerWaalsContact CA-O 3.31Å; F18-V22 WeakPolarHBondContact CA-O 3.36Å; I19-V22 PolarHBondContact N-O 3.07Å; I19-V22 WeakPolarHBondContact O-CG2 3.47Å; I19-V22 PolarHBondContact O-N 2.86Å; V22-A24 PolarHBondContact O-N 2.89Å |
| 23 | I | 83.8 | Confident | 78.2 | Confident | 103 Ų | 103 | 100.9 Ų | 100.9 | 53% | 0.528 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -70.9 | 120.2 | 174.2 | -64 | 170 | 0 | 0 | 0 | 108.7 | T16 F18 | T16-I23 HydrophobicContact CG2-CG2 3.72Å; F18-I23 HydrophobicContact CD1-CG1 3.82Å; F18-I23 HydrophobicContact CE1-CB 4.43Å; F18-I23 HydrophobicContact CE1-CD1 4Å; F18-I23 HydrophobicContact CE1-CG1 3.21Å; F18-I23 HydrophobicContact CE2-CG1 4.44Å; F18-I23 HydrophobicContact CZ-CD1 4.08Å; F18-I23 HydrophobicContact CZ-CG1 3.57Å |
| 24 | A | 82.5 | Confident | 78.7 | Confident | 13 Ų | 13 | 97.1 Ų | 97.1 | 11% | 0.107 | 56% | 0.555 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.6 | 130.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V17 I19 V22 G26 F30 | V17-A24 HydrophobicContact CB-CB 4.35Å; V17-A24 WeakPolarHBondContact O-CB 3.26Å; V17-A24 PolarHBondContact O-N 3.48Å; I19-A24 HydrophobicContact CD1-CB 3.92Å; I19-A24 HydrophobicContact CG1-CB 4.22Å; V22-A24 PolarHBondContact O-N 2.89Å; A24-G26 VanDerWaalsContact C-N 3.26Å; A24-G26 PolarHBondContact O-N 3.05Å; A24-F30 HydrophobicContact CB-CE2 3.81Å |
| 25 | R | 81.1 | Confident | 79.3 | Confident | 170 Ų | 170 | 90.6 Ų | 90.6 | 64% | 0.642 | 54% | 0.535 | S | S | * | . | | | trans | -88.3 | 20.2 | -178.6 | -56.1 | -179.9 | -62.9 | 171.2 | -0.8 | 113.2 | D29 | R25-D29 WeakPolarHBondContact CA-OD2 3.5Å; R25-D29 VanDerWaalsContact CB-OD2 3.25Å; R25-D29 WeakPolarHBondContact CB-OD2 3.06Å; R25-D29 IonicContact CZ-OD1 3.97Å; R25-D29 PolarHBondContact N-OD2 3.49Å; R25-D29 IonicContact NE-OD1 3.66Å; R25-D29 IonicContact NE-OD2 3.63Å; R25-D29 IonicContact NH2-OD1 3.32Å; R25-D29 PolarHBondContact NH2-OD1 3.38Å |
| 26 | G | 77.1 | Confident | 79.9 | Confident | 36 Ų | 36 | 91 Ų | 91 | 37% | 0.371 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | 72.3 | -124.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A24 K28 D29 F30 | A24-G26 VanDerWaalsContact C-N 3.26Å; A24-G26 PolarHBondContact O-N 3.05Å; G26-K28 PolarHBondContact O-N 3.35Å; G26-D29 PolarHBondContact O-N 3.41Å; G26-F30 PolarHBondContact O-N 3.36Å |
| 27 | D | 68.9 | Low | 80 | Confident | 155 Ų | 155 | 91.1 Ų | 91.1 | 83% | 0.829 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -55.2 | -20.3 | -169.4 | -56.1 | -26.4 | 0 | 0 | 0 | 115.3 | | |
| 28 | K | 73.8 | Confident | 79.9 | Confident | 165 Ų | 165 | 91.6 Ų | 91.6 | 72% | 0.717 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -84 | -23.1 | 178.7 | -57.5 | -163.9 | 79 | 161 | 0 | 113.7 | G26 | G26-K28 PolarHBondContact O-N 3.35Š|
| 29 | D | 76.6 | Confident | 79.9 | Confident | 66 Ų | 66 | 93 Ų | 93 | 35% | 0.353 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | -8.4 | -174 | -57.5 | -32.9 | 0 | 0 | 0 | 111.9 | R25 G26 | R25-D29 WeakPolarHBondContact CA-OD2 3.5Å; R25-D29 VanDerWaalsContact CB-OD2 3.25Å; R25-D29 WeakPolarHBondContact CB-OD2 3.06Å; R25-D29 IonicContact CZ-OD1 3.97Å; R25-D29 PolarHBondContact N-OD2 3.49Å; R25-D29 IonicContact NE-OD1 3.66Å; R25-D29 IonicContact NE-OD2 3.63Å; R25-D29 IonicContact NH2-OD1 3.32Å; R25-D29 PolarHBondContact NH2-OD1 3.38Å; G26-D29 PolarHBondContact O-N 3.41Å |
| 30 | F | 71.5 | Confident | 79.9 | Confident | 83 Ų | 83 | 96.9 Ų | 96.9 | 36% | 0.364 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -134.6 | 125.6 | 175.5 | -64.7 | -82.7 | 0 | 0 | 0 | 111.3 | I19 A24 G26 A34 | I19-F30 HydrophobicContact CD1-CE1 4.01Å; I19-F30 HydrophobicContact CD1-CE2 3.71Å; I19-F30 HydrophobicContact CD1-CZ 3.18Å; I19-F30 HydrophobicContact CG1-CZ 4.08Å; A24-F30 HydrophobicContact CB-CE2 3.81Å; G26-F30 PolarHBondContact O-N 3.36Å; F30-A34 HydrophobicContact CB-CB 4.48Å; F30-A34 HydrophobicContact CD1-CB 4.5Å |
| 31 | P | 85 | Confident | 79.7 | Confident | 84 Ų | 84 | 100 Ų | 100 | 55% | 0.545 | 56% | 0.561 | S | S | . | * | | | trans | -64.3 | 154.3 | 174.6 | 26.8 | -33.3 | 0 | 0 | 0 | 111.1 | A33 A34 A35 | P31-A33 PolarHBondContact O-N 2.98Å; P31-A34 HydrophobicContact CG-CB 4Å; P31-A34 WeakPolarHBondContact O-CB 3.42Å; P31-A34 PolarHBondContact O-N 3.11Å; P31-A35 PolarHBondContact O-N 2.99Å |
| 32 | P | 79.9 | Confident | 79.3 | Confident | 100 Ų | 100 | 102.7 Ų | 102.7 | 65% | 0.649 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -52.1 | -35.1 | -179.1 | -28.5 | 34.7 | 0 | 0 | 0 | 113.8 | A34 A35 Q36 | P32-A34 PolarHBondContact O-N 3.39Å; P32-A35 PolarHBondContact O-N 3.4Å; P32-Q36 VanDerWaalsContact O-CG 3.26Å; P32-Q36 WeakPolarHBondContact O-CG 3.42Å; P32-Q36 PolarHBondContact O-N 3.1Å |
| 33 | A | 80.5 | Confident | 79.1 | Confident | 61 Ų | 61 | 106.3 Ų | 106.3 | 50% | 0.504 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.9 | -40.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | P31 Q36 V37 | P31-A33 PolarHBondContact O-N 2.98Å; A33-Q36 WeakPolarHBondContact O-CB 3.25Å; A33-Q36 PolarHBondContact O-N 2.96Å; A33-V37 WeakPolarHBondContact O-CG2 3.31Å; A33-V37 PolarHBondContact O-N 2.95Å |
| 34 | A | 80.4 | Confident | 78.4 | Confident | 42 Ų | 42 | 105 Ų | 105 | 35% | 0.347 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.4 | -39.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F30 P31 P32 Q36 V37 A38 | F30-A34 HydrophobicContact CB-CB 4.48Å; F30-A34 HydrophobicContact CD1-CB 4.5Å; P31-A34 HydrophobicContact CG-CB 4Å; P31-A34 WeakPolarHBondContact O-CB 3.42Å; P31-A34 PolarHBondContact O-N 3.11Å; P32-A34 PolarHBondContact O-N 3.39Å; A34-Q36 VanDerWaalsContact C-N 3.32Å; A34-Q36 PolarHBondContact O-N 3.26Å; A34-V37 PolarHBondContact O-N 3.22Å; A34-A38 PolarHBondContact O-N 3.13Å |
| 35 | A | 79.2 | Confident | 77.7 | Confident | 46 Ų | 46 | 109.3 Ų | 109.3 | 38% | 0.38 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64 | -37.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P31 P32 A38 H39 | P31-A35 PolarHBondContact O-N 2.99Å; P32-A35 PolarHBondContact O-N 3.4Å; A35-A38 PolarHBondContact O-N 3.35Å; A35-H39 PolarHBondContact O-N 3.36Å; A35-H39 PolarHBondContact O-ND1 3.16Å; A35-H39 VanDerWaalsContact O-ND1 3.16Å |
| 36 | Q | 82.3 | Confident | 77 | Confident | 125 Ų | 125 | 109 Ų | 109 | 58% | 0.584 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.6 | -38.4 | 175.9 | -74 | 174.4 | 14.7 | 0 | 0 | 113 | P32 A33 A34 A38 H39 Q40 | P32-Q36 VanDerWaalsContact O-CG 3.26Å; P32-Q36 WeakPolarHBondContact O-CG 3.42Å; P32-Q36 PolarHBondContact O-N 3.1Å; A33-Q36 WeakPolarHBondContact O-CB 3.25Å; A33-Q36 PolarHBondContact O-N 2.96Å; A34-Q36 VanDerWaalsContact C-N 3.32Å; A34-Q36 PolarHBondContact O-N 3.26Å; Q36-A38 VanDerWaalsContact C-N 3.28Å; Q36-A38 PolarHBondContact O-N 2.99Å; Q36-H39 PolarHBondContact O-N 3.32Å; Q36-H39 VanDerWaalsContact O-N 3.1Å; Q36-Q40 PolarHBondContact O-N 2.68Å; Q36-Q40 VanDerWaalsContact O-N 3.11Å |
| 37 | V | 77.8 | Confident | 76.2 | Confident | 98 Ų | 98 | 113.9 Ų | 113.9 | 59% | 0.594 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -60.1 | -38.9 | 175.9 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | A33 A34 H39 Q40 | A33-V37 WeakPolarHBondContact O-CG2 3.31Å; A33-V37 PolarHBondContact O-N 2.95Å; A34-V37 PolarHBondContact O-N 3.22Å; V37-H39 VanDerWaalsContact C-N 3.27Å; V37-H39 PolarHBondContact O-N 2.94Å; V37-Q40 PolarHBondContact O-N 3.45Å; V37-Q40 VanDerWaalsContact O-N 3.13Å |
| 38 | A | 78.7 | Confident | 76.1 | Confident | 84 Ų | 84 | 114.7 Ų | 114.7 | 69% | 0.694 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.3 | -29 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | A34 A35 Q36 | A34-A38 PolarHBondContact O-N 3.13Å; A35-A38 PolarHBondContact O-N 3.35Å; Q36-A38 VanDerWaalsContact C-N 3.28Å; Q36-A38 PolarHBondContact O-N 2.99Å |
| 39 | H | 83.3 | Confident | 75.4 | Confident | 162 Ų | 162 | 115 Ų | 115 | 75% | 0.75 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -80.3 | -19.8 | 174.2 | -62.7 | 132.2 | 0 | 0 | 0 | 113.1 | A35 Q36 V37 K41 | A35-H39 PolarHBondContact O-N 3.36Å; A35-H39 PolarHBondContact O-ND1 3.16Å; A35-H39 VanDerWaalsContact O-ND1 3.16Å; Q36-H39 PolarHBondContact O-N 3.32Å; Q36-H39 VanDerWaalsContact O-N 3.1Å; V37-H39 VanDerWaalsContact C-N 3.27Å; V37-H39 PolarHBondContact O-N 2.94Å; H39-K41 PolarHBondContact O-N 2.94Å |
| 40 | Q | 82.5 | Confident | 74.7 | Confident | 148 Ų | 148 | 117.8 Ų | 117.8 | 69% | 0.692 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -77.4 | 103 | 169.1 | -76.6 | -158.4 | 65.6 | 0 | 0 | 109.4 | Q36 V37 | Q36-Q40 PolarHBondContact O-N 2.68Å; Q36-Q40 VanDerWaalsContact O-N 3.11Å; V37-Q40 PolarHBondContact O-N 3.45Å; V37-Q40 VanDerWaalsContact O-N 3.13Å |
| 41 | K | 78.7 | Confident | 74.3 | Confident | 192 Ų | 192 | 116.9 Ų | 116.9 | 84% | 0.835 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 127.5 | 166.5 | -74.2 | -168.6 | 179 | -176.3 | 0 | 107.9 | H39 H43 | H39-K41 PolarHBondContact O-N 2.94Å; K41-H43 PolarHBondContact O-N 3.36Å |
| 42 | P | 79.9 | Confident | 73.2 | Confident | 125 Ų | 125 | 118.8 Ų | 118.8 | 81% | 0.812 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 123.4 | 173 | 20.3 | -29.4 | 0 | 0 | 0 | 107.7 | A44 | P42-A44 PolarHBondContact O-N 3.38Š|
| 43 | H | 78.6 | Confident | 72.3 | Confident | 175 Ų | 175 | 123.4 Ų | 123.4 | 81% | 0.81 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 125.3 | 174 | -173.4 | -100.5 | 0 | 0 | 0 | 107 | K41 S45 | K41-H43 PolarHBondContact O-N 3.36Å; H43-S45 PolarHBondContact O-N 2.84Å |
| 44 | A | 69.1 | Low | 71.6 | Confident | 76 Ų | 76 | 126 Ų | 126 | 63% | 0.628 | 69% | 0.685 | S | S | * | * | | | trans | -60.6 | 105.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | P42 M46 | P42-A44 PolarHBondContact O-N 3.38Å; A44-M46 PolarHBondContact O-N 3.49Å |
| 45 | S | 67.9 | Low | 70.8 | Confident | 102 Ų | 102 | 132.5 Ų | 132.5 | 71% | 0.713 | 71% | 0.708 | S | S | * | * | | | trans | -73.2 | 79 | 173.3 | 167 | 0 | 0 | 0 | 0 | 108.4 | H43 D47 | H43-S45 PolarHBondContact O-N 2.84Å; S45-D47 VanDerWaalsContact C-N 3.35Å |
| 46 | M | 65 | Low | 70.5 | Confident | 165 Ų | 165 | 137.6 Ų | 137.6 | 81% | 0.813 | 72% | 0.724 | S | S | * | * | | | trans | -96.5 | 69.2 | 161.5 | -71.7 | -87 | 93.6 | 0 | 0 | 108.1 | A44 K48 | A44-M46 PolarHBondContact O-N 3.49Å; M46-K48 VanDerWaalsContact C-N 3.32Å; M46-K48 PolarHBondContact O-N 3.16Å |
| 47 | D | 60.2 | Low | 70.3 | Confident | 138 Ų | 138 | 137.5 Ų | 137.5 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | | | trans | -85.4 | 86.7 | 162.6 | -156.4 | 52.6 | 0 | 0 | 0 | 109.4 | S45 | S45-D47 VanDerWaalsContact C-N 3.35Š|
| 48 | K | 68.3 | Low | 70.4 | Confident | 172 Ų | 172 | 140.8 Ų | 140.8 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | | | trans | 24.1 | 100.2 | 145.9 | -56.1 | 170.3 | -170.6 | 172.8 | 0 | 116.6 | M46 | M46-K48 VanDerWaalsContact C-N 3.32Å; M46-K48 PolarHBondContact O-N 3.16Å |
| 49 | H | 59.2 | Low | 70.8 | Confident | 170 Ų | 170 | 143.1 Ų | 143.1 | 79% | 0.787 | 73% | 0.732 | S | S | * | * | | | trans | -111.6 | 82 | 143.9 | -138.1 | -52.3 | 0 | 0 | 0 | 109.4 | S51 | H49-S51 WeakPolarHBondContact ND1-CB 3.44Å; H49-S51 PolarHBondContact ND1-N 3.23Å; H49-S51 PolarHBondContact O-N 3Å; H49-S51 VanDerWaalsContact O-N 3.08Å |
| 50 | V | 61.7 | Low | 70.9 | Confident | 125 Ų | 125 | 141.1 Ų | 141.1 | 76% | 0.758 | 73% | 0.733 | S | S | * | * | | | trans | -77 | 85.1 | 152.2 | -163.5 | 0 | 0 | 0 | 0 | 104.3 | P52 | V50-P52 WeakPolarHBondContact O-CD 3.11Š|
| 51 | S | 61.6 | Low | 70.9 | Confident | 64 Ų | 64 | 145.2 Ų | 145.2 | 45% | 0.448 | 74% | 0.742 | S | S | . | * | | | trans | -80.5 | 109.8 | 159.4 | -166.6 | 0 | 0 | 0 | 0 | 105.8 | H49 R53 | H49-S51 WeakPolarHBondContact ND1-CB 3.44Å; H49-S51 PolarHBondContact ND1-N 3.23Å; H49-S51 PolarHBondContact O-N 3Å; H49-S51 VanDerWaalsContact O-N 3.08Å; S51-R53 PolarHBondContact O-N 2.93Å |
| 52 | P | 62.6 | Low | 70.9 | Confident | 124 Ų | 124 | 149.7 Ų | 149.7 | 81% | 0.805 | 76% | 0.762 | S | S | * | * | | | trans | -75.2 | 32.1 | 169.5 | 35.3 | -36.2 | 0 | 0 | 0 | 110.4 | V50 | V50-P52 WeakPolarHBondContact O-CD 3.11Š|
| 53 | R | 61.7 | Low | 70.4 | Confident | 197 Ų | 197 | 151 Ų | 151 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | | | trans | -92.1 | 109.4 | 169 | -142.4 | 178.5 | -163 | -91.4 | 2.4 | 106.1 | S51 Q55 | S51-R53 PolarHBondContact O-N 2.93Å; R53-Q55 PolarHBondContact O-N 3.07Å |
| 54 | T | 64.7 | Low | 70 | Confident | 115 Ų | 115 | 149.7 Ų | 149.7 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | | | trans | -45.7 | 111.7 | 158.9 | 45.3 | 0 | 0 | 0 | 0 | 106.7 | H56 | T54-H56 PolarHBondContact O-N 2.93Š|
| 55 | Q | 64.9 | Low | 70 | Confident | 180 Ų | 180 | 153.8 Ų | 153.8 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | | | trans | -68.9 | 69.3 | 165.9 | -69.6 | -94.2 | -4.2 | 0 | 0 | 105 | R53 I57 | R53-Q55 PolarHBondContact O-N 3.07Å; Q55-I57 PolarHBondContact O-N 3.16Å |
| 56 | H | 71.9 | Confident | 70.2 | Confident | 153 Ų | 153 | 156.8 Ų | 156.8 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | | | trans | -70.8 | 90.8 | 179.3 | -171.2 | -108 | 0 | 0 | 0 | 105.7 | T54 Q58 | T54-H56 PolarHBondContact O-N 2.93Å; H56-Q58 PolarHBondContact O-N 3.24Å |
| 57 | I | 77.5 | Confident | 70.5 | Confident | 123 Ų | 123 | 156.3 Ų | 156.3 | 63% | 0.631 | 76% | 0.764 | S | S | * | * | | | trans | -58.4 | 111.6 | 174.3 | -62.7 | 171.5 | 0 | 0 | 0 | 105.5 | Q55 Q59 | Q55-I57 PolarHBondContact O-N 3.16Å; I57-Q59 VanDerWaalsContact C-N 3.32Å; I57-Q59 PolarHBondContact O-N 3.3Å |
| 58 | Q | 80.4 | Confident | 71.2 | Confident | 166 Ų | 166 | 157.5 Ų | 157.5 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | trans | -69.5 | 96.4 | 175.8 | -172.2 | 117.3 | 73.5 | 0 | 0 | 107.4 | H56 | H56-Q58 PolarHBondContact O-N 3.24Š|
| 59 | Q | 87 | Confident | 71.4 | Confident | 133 Ų | 133 | 156.5 Ų | 156.5 | 62% | 0.621 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 140.5 | 170.5 | -66.1 | -65 | -29 | 0 | 0 | 108.9 | I57 R61 | I57-Q59 VanDerWaalsContact C-N 3.32Å; I57-Q59 PolarHBondContact O-N 3.3Å; Q59-R61 PolarHBondContact O-N 3.29Å |
| 60 | P | 85.8 | Confident | 72.3 | Confident | 120 Ų | 120 | 155.5 Ų | 155.5 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 123.6 | 171.7 | -17.7 | 28.9 | 0 | 0 | 0 | 109 | | |
| 61 | R | 81.9 | Confident | 73.2 | Confident | 235 Ų | 235 | 158 Ų | 158 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 143.2 | 164 | -69.3 | -173.7 | 177.6 | -178.7 | -0.2 | 107.6 | Q59 | Q59-R61 PolarHBondContact O-N 3.29Š|
| 62 | K | 78.4 | Confident | 74.2 | Confident | 286 Ų | 286 | 166.5 Ų | 166.5 | 100% | 1.243 | 80% | 0.795 | S | S | * | * | | | trans | -48.8 | 0 | 179.4 | -76.6 | -173.9 | 176.9 | -176.6 | 0 | 112.5 | | |