| 1 | M | 54.7 | Low | 65.7 | Low | 224 Ų | 224 | 149.3 Ų | 149.3 | 100% | 1.103 | 76% | 0.764 | S | S | * | * | | | | 0 | 125.9 | 0 | -170.6 | 162.6 | 69.2 | 0 | 0 | 107.8 | | |
| 2 | R | 73.9 | Confident | 64.1 | Low | 235 Ų | 235 | 147.6 Ų | 147.6 | 89% | 0.887 | 76% | 0.758 | S | S | * | * | | | trans | -93.2 | 119.5 | -177.5 | 51.1 | -174.8 | 152.5 | 101.3 | 0.5 | 109.5 | | |
| 3 | I | 71.3 | Confident | 63.1 | Low | 153 Ų | 153 | 139.8 Ų | 139.8 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | | | trans | -107.6 | 105.4 | 175.4 | -31.9 | -179.6 | 0 | 0 | 0 | 106.5 | | |
| 4 | V | 76.4 | Confident | 62.3 | Low | 96 Ų | 96 | 141.5 Ų | 141.5 | 58% | 0.582 | 74% | 0.735 | S | S | * | * | | | trans | -98.5 | 103.4 | 171.4 | -98.9 | 0 | 0 | 0 | 0 | 107.6 | K6 | V4-K6 PolarHBondContact O-N 3.3Š|
| 5 | Q | 78.9 | Confident | 61.7 | Low | 168 Ų | 168 | 141.9 Ų | 141.9 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -66 | 120.4 | 168.3 | -171.7 | 172.1 | 17.2 | 0 | 0 | 108.4 | | |
| 6 | K | 76.4 | Confident | 61.3 | Low | 153 Ų | 153 | 142 Ų | 142 | 67% | 0.665 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 131.5 | 165.9 | -32.1 | -63.6 | 179.3 | 171.9 | 0 | 105.3 | V4 P8 | V4-K6 PolarHBondContact O-N 3.3Å; K6-P8 WeakPolarHBondContact O-CD 3.15Å |
| 7 | H | 68.8 | Low | 60.9 | Low | 144 Ų | 144 | 143 Ų | 143 | 67% | 0.667 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 124.8 | 170.8 | -63.4 | 101 | 0 | 0 | 0 | 108.2 | H9 | H7-H9 PolarHBondContact O-N 3.32Å; H7-H9 VanDerWaalsContact O-N 3.15Å |
| 8 | P | 58.9 | Low | 60.8 | Low | 102 Ų | 102 | 141.5 Ų | 141.5 | 66% | 0.662 | 72% | 0.715 | S | S | * | * | | | trans | -64.9 | 112.9 | 158.1 | 26.7 | -27.4 | 0 | 0 | 0 | 106.2 | K6 T10 | K6-P8 WeakPolarHBondContact O-CD 3.15Å; P8-T10 HydrophobicContact CB-CG2 4.37Å; P8-T10 PolarHBondContact O-N 3.37Å |
| 9 | H | 57.1 | Low | 60.6 | Low | 185 Ų | 185 | 142.6 Ų | 142.6 | 86% | 0.856 | 72% | 0.715 | S | S | * | * | | | trans | -72.7 | 71.2 | 159.7 | -67.7 | -71.8 | 0 | 0 | 0 | 107 | H7 G11 | H7-H9 PolarHBondContact O-N 3.32Å; H7-H9 VanDerWaalsContact O-N 3.15Å; H9-G11 PolarHBondContact O-N 3.16Å |
| 10 | T | 51.1 | Low | 60.5 | Low | 111 Ų | 111 | 139.5 Ų | 139.5 | 68% | 0.681 | 70% | 0.7 | S | S | * | * | | | trans | -74.8 | 117.2 | 159.7 | 34.1 | 0 | 0 | 0 | 0 | 106.1 | P8 | P8-T10 HydrophobicContact CB-CG2 4.37Å; P8-T10 PolarHBondContact O-N 3.37Å |
| 11 | G | 55.6 | Low | 60.5 | Low | 71 Ų | 71 | 137.7 Ų | 137.7 | 73% | 0.732 | 69% | 0.693 | S | S | * | * | | | trans | -67 | 135.6 | -159.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | H9 | H9-G11 PolarHBondContact O-N 3.16Š|
| 12 | D | 45.6 | Very low | 60.7 | Low | 129 Ų | 129 | 134.1 Ų | 134.1 | 69% | 0.69 | 67% | 0.673 | S | S | * | * | | | trans | -119.6 | 87.3 | 157.7 | -68.7 | -55.9 | 0 | 0 | 0 | 106.5 | | |
| 13 | G | 51.4 | Low | 59.9 | Low | 47 Ų | 47 | 130.7 Ų | 130.7 | 49% | 0.485 | 67% | 0.667 | S | S | . | * | | | trans | -118.7 | 15.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R17 | G13-R17 PolarHBondContact O-NE 2.83Å; G13-R17 PolarHBondContact O-NH2 3.15Å |
| 14 | K | 51.7 | Low | 59.2 | Low | 163 Ų | 163 | 132.8 Ų | 132.8 | 71% | 0.709 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -124.1 | -37 | -174.4 | -54.3 | -157 | -176.8 | -176.4 | 0 | 112.8 | | |
| 15 | E | 53.3 | Low | 58.2 | Low | 148 Ų | 148 | 135.5 Ų | 135.5 | 69% | 0.692 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -75.3 | -28.4 | -178.4 | -57.9 | -169.6 | 173.2 | 0 | 0 | 113.5 | | |
| 16 | E | 55.9 | Low | 57.2 | Low | 143 Ų | 143 | 131.3 Ų | 131.3 | 67% | 0.668 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70.3 | -36.6 | 178.3 | -159.1 | 179.8 | -154.1 | 0 | 0 | 111.7 | K19 D20 | E16-K19 PolarHBondContact O-N 3.08Å; E16-D20 PolarHBondContact O-N 3.38Å |
| 17 | R | 54.1 | Low | 56.6 | Low | 159 Ų | 159 | 131.2 Ų | 131.2 | 60% | 0.6 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -64.6 | -45.6 | -179.1 | -88.2 | -166.3 | -80.9 | 168.5 | -6.5 | 113.6 | G13 K19 D20 D21 | G13-R17 PolarHBondContact O-NE 2.83Å; G13-R17 PolarHBondContact O-NH2 3.15Å; R17-K19 PolarHBondContact O-N 2.97Å; R17-D20 PolarHBondContact O-N 2.92Å; R17-D21 VanDerWaalsContact O-CG 3.32Å; R17-D21 PolarHBondContact O-N 3.13Å |
| 18 | D | 59.3 | Low | 56.1 | Low | 116 Ų | 116 | 127.5 Ų | 127.5 | 62% | 0.62 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -66.4 | -28 | -178.1 | -70 | -17.9 | 0 | 0 | 0 | 111.8 | Q22 | D18-Q22 PolarHBondContact O-N 3.23Å |
| 19 | K | 56.7 | Low | 56.5 | Low | 163 Ų | 163 | 127.4 Ų | 127.4 | 71% | 0.709 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -75.5 | -40.1 | -179.8 | -136 | 171 | -178.5 | 172.5 | 0 | 112.1 | E16 R17 E23 | E16-K19 PolarHBondContact O-N 3.08Å; R17-K19 PolarHBondContact O-N 2.97Å; K19-E23 PolarHBondContact O-N 2.85Å |
| 20 | D | 59.4 | Low | 57.2 | Low | 79 Ų | 79 | 124.7 Ų | 124.7 | 42% | 0.422 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -66.2 | -45.3 | 172.2 | -75.2 | -21.9 | 0 | 0 | 0 | 110.8 | E16 R17 Q22 E23 W24 | E16-D20 PolarHBondContact O-N 3.38Å; R17-D20 PolarHBondContact O-N 2.92Å; D20-Q22 PolarHBondContact O-N 3.2Å; D20-E23 PolarHBondContact O-N 3.2Å; D20-W24 PolarHBondContact O-N 3.28Å; D20-W24 VanDerWaalsContact O-N 3.11Å |
| 21 | D | 60.4 | Low | 58.1 | Low | 103 Ų | 103 | 126.6 Ų | 126.6 | 55% | 0.551 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -57.5 | -37.1 | -179.5 | -75.9 | -23.5 | 0 | 0 | 0 | 112.2 | R17 W24 | R17-D21 VanDerWaalsContact O-CG 3.32Å; R17-D21 PolarHBondContact O-N 3.13Å; D21-W24 PolarHBondContact O-N 3.4Å |
| 22 | Q | 57.7 | Low | 59.3 | Low | 149 Ų | 149 | 128.4 Ų | 128.4 | 70% | 0.696 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -75.9 | -25.7 | 178.5 | -166.3 | 153 | 34 | 0 | 0 | 113.6 | D18 D20 | D18-Q22 PolarHBondContact O-N 3.23Å; D20-Q22 PolarHBondContact O-N 3.2Å |
| 23 | E | 57.3 | Low | 61 | Low | 162 Ų | 162 | 126.8 Ų | 126.8 | 76% | 0.757 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -77.3 | -27.4 | 173.4 | -171.5 | 170.5 | 176.8 | 0 | 0 | 112 | K19 D20 E25 | K19-E23 PolarHBondContact O-N 2.85Å; D20-E23 PolarHBondContact O-N 3.2Å; E23-E25 VanDerWaalsContact C-N 3.34Å |
| 24 | W | 56.3 | Low | 62.8 | Low | 197 Ų | 197 | 128.5 Ų | 128.5 | 75% | 0.746 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -78.1 | -12.1 | 176.9 | -71 | 112.6 | 0 | 0 | 0 | 114.6 | D20 D21 S26 | D20-W24 PolarHBondContact O-N 3.28Å; D20-W24 VanDerWaalsContact O-N 3.11Å; D21-W24 PolarHBondContact O-N 3.4Å; W24-S26 PolarHBondContact O-N 3.5Å |
| 25 | E | 56 | Low | 64.6 | Low | 153 Ų | 153 | 127 Ų | 127 | 72% | 0.715 | 65% | 0.649 | S | S | * | * | | | trans | -72.7 | 69.7 | 171.6 | -74.8 | -170.1 | 153.2 | 0 | 0 | 111 | E23 T27 | E23-E25 VanDerWaalsContact C-N 3.34Å; E25-T27 PolarHBondContact O-N 3.15Å |
| 26 | S | 58.6 | Low | 66.2 | Low | 80 Ų | 80 | 124.1 Ų | 124.1 | 56% | 0.559 | 64% | 0.638 | S | S | * | * | | | trans | -63 | 121.3 | 175.6 | -168.1 | 0 | 0 | 0 | 0 | 110.2 | W24 S28 | W24-S26 PolarHBondContact O-N 3.5Å; S26-S28 PolarHBondContact O-N 2.87Å |
| 27 | T | 63.8 | Low | 67.7 | Low | 152 Ų | 152 | 123.1 Ų | 123.1 | 93% | 0.933 | 65% | 0.646 | S | S | * | * | | | trans | -67 | 28.1 | 170.7 | 39.8 | 0 | 0 | 0 | 0 | 113.5 | E25 | E25-T27 PolarHBondContact O-N 3.15Š|
| 28 | S | 58.5 | Low | 69.5 | Low | 65 Ų | 65 | 118.8 Ų | 118.8 | 46% | 0.455 | 65% | 0.651 | S | S | . | * | | | trans | -68.2 | 148.4 | -176.7 | -166.9 | 0 | 0 | 0 | 0 | 111.2 | S26 | S26-S28 PolarHBondContact O-N 2.87Š|
| 29 | P | 66.8 | Low | 70.9 | Confident | 100 Ų | 100 | 117.9 Ų | 117.9 | 65% | 0.649 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -47.5 | 154.8 | 169.1 | -25.1 | 32.8 | 0 | 0 | 0 | 111.7 | K31 | P29-K31 PolarHBondContact O-N 3.22Š|
| 30 | P | 71.3 | Confident | 72.5 | Confident | 129 Ų | 129 | 114.6 Ų | 114.6 | 84% | 0.838 | 64% | 0.639 | S | S | * | * | | | trans | -48.5 | 112.6 | -178.4 | -25.2 | 32.4 | 0 | 0 | 0 | 110.5 | | |
| 31 | K | 70.7 | Confident | 73.9 | Confident | 150 Ų | 150 | 111.9 Ų | 111.9 | 65% | 0.652 | 63% | 0.628 | S | S | * | * | | | trans | -58.1 | 131.4 | -179.5 | -68.5 | 175.7 | -177.7 | 165.9 | 0 | 107.4 | P29 T33 | P29-K31 PolarHBondContact O-N 3.22Å; K31-T33 PolarHBondContact O-N 3.11Å |
| 32 | P | 79.8 | Confident | 75.1 | Confident | 110 Ų | 110 | 114.8 Ų | 114.8 | 71% | 0.714 | 63% | 0.631 | S | S | * | * | | | trans | -56.9 | 138.9 | 178.3 | 23.1 | -32.5 | 0 | 0 | 0 | 109.8 | V34 | P32-V34 WeakPolarHBondContact O-CG2 3.37Å; P32-V34 PolarHBondContact O-N 3.48Å; P32-V34 VanDerWaalsContact O-N 3.08Å |
| 33 | T | 82.4 | Confident | 76.4 | Confident | 95 Ų | 95 | 109.5 Ų | 109.5 | 58% | 0.583 | 62% | 0.616 | S | S | * | * | | | trans | -58.4 | 114.7 | 179 | -53.6 | 0 | 0 | 0 | 0 | 109.9 | K31 F35 I40 | K31-T33 PolarHBondContact O-N 3.11Å; T33-F35 HydrophobicContact CG2-CE2 3.92Å; T33-F35 HydrophobicContact CG2-CZ 4.2Å; T33-I40 HydrophobicContact CG2-CB 4.42Å; T33-I40 HydrophobicContact CG2-CG1 4.19Å; T33-I40 HydrophobicContact CG2-CG2 3.57Å |
| 34 | V | 88.4 | Confident | 77.5 | Confident | 82 Ų | 82 | 108.1 Ų | 108.1 | 50% | 0.497 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93 | 137.7 | 178.7 | -179.8 | 0 | 0 | 0 | 0 | 109 | P32 I36 A41 | P32-V34 WeakPolarHBondContact O-CG2 3.37Å; P32-V34 PolarHBondContact O-N 3.48Å; P32-V34 VanDerWaalsContact O-N 3.08Å; V34-I36 HydrophobicContact CG1-CG1 4.31Å; V34-A41 HydrophobicContact CB-CB 4.18Å; V34-A41 HydrophobicContact CG1-CB 4.43Å; V34-A41 WeakPolarHBondContact O-CB 3.45Å; V34-A41 PolarHBondContact O-N 3.38Å |
| 35 | F | 90.6 | Very high | 78.8 | Confident | 131 Ų | 131 | 106.7 Ų | 106.7 | 58% | 0.575 | 61% | 0.613 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.8 | 122.6 | 172.8 | -69.3 | -96.7 | 0 | 0 | 0 | 110.3 | T33 V39 I40 | T33-F35 HydrophobicContact CG2-CE2 3.92Å; T33-F35 HydrophobicContact CG2-CZ 4.2Å; F35-V39 CarbonylContact C-O 3.55Å; F35-V39 VanDerWaalsContact CA-O 3.27Å; F35-V39 WeakPolarHBondContact CA-O 3.4Å; F35-I40 HydrophobicContact CD1-CG1 3.93Å; F35-I40 HydrophobicContact CE1-CB 4.46Å; F35-I40 HydrophobicContact CE1-CD1 4.18Å; F35-I40 HydrophobicContact CE1-CG1 3.3Å; F35-I40 HydrophobicContact CZ-CD1 4.35Å; F35-I40 HydrophobicContact CZ-CG1 3.73Å |
| 36 | I | 85.7 | Confident | 80.2 | Confident | 89 Ų | 89 | 102 Ų | 102 | 46% | 0.456 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.9 | 116.5 | 174.5 | -57.3 | 173.2 | 0 | 0 | 0 | 107.2 | V34 G38 V39 A41 F47 | V34-I36 HydrophobicContact CG1-CG1 4.31Å; I36-G38 PolarHBondContact O-N 3.04Å; I36-V39 PolarHBondContact N-O 3.38Å; I36-V39 PolarHBondContact O-N 3.22Å; I36-A41 HydrophobicContact CD1-CB 3.77Å; I36-A41 HydrophobicContact CG1-CB 4.01Å; I36-F47 HydrophobicContact CD1-CZ 4.29Å |
| 37 | S | 88.8 | Confident | 81.4 | Confident | 121 Ų | 121 | 104.8 Ų | 104.8 | 85% | 0.846 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.8 | 35.7 | -178.5 | 57 | 0 | 0 | 0 | 0 | 114.7 | | |
| 38 | G | 91.5 | Very high | 82.5 | Confident | 68 Ų | 68 | 100.5 Ų | 100.5 | 70% | 0.701 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 90.1 | -2.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | I36 | I36-G38 PolarHBondContact O-N 3.04Š|
| 39 | V | 89.3 | Confident | 83.6 | Confident | 98 Ų | 98 | 102.1 Ų | 102.1 | 59% | 0.594 | 58% | 0.579 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.5 | 140.6 | 177 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | F35 I36 A41 | F35-V39 CarbonylContact C-O 3.55Å; F35-V39 VanDerWaalsContact CA-O 3.27Å; F35-V39 WeakPolarHBondContact CA-O 3.4Å; I36-V39 PolarHBondContact N-O 3.38Å; I36-V39 PolarHBondContact O-N 3.22Å; V39-A41 PolarHBondContact O-N 3.08Å |
| 40 | I | 90.1 | Very high | 84.3 | Confident | 93 Ų | 93 | 100.2 Ų | 100.2 | 48% | 0.477 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67 | 119.8 | 173.6 | -64.1 | 169.2 | 0 | 0 | 0 | 109.1 | T33 F35 | T33-I40 HydrophobicContact CG2-CB 4.42Å; T33-I40 HydrophobicContact CG2-CG1 4.19Å; T33-I40 HydrophobicContact CG2-CG2 3.57Å; F35-I40 HydrophobicContact CD1-CG1 3.93Å; F35-I40 HydrophobicContact CE1-CB 4.46Å; F35-I40 HydrophobicContact CE1-CD1 4.18Å; F35-I40 HydrophobicContact CE1-CG1 3.3Å; F35-I40 HydrophobicContact CZ-CD1 4.35Å; F35-I40 HydrophobicContact CZ-CG1 3.73Å |
| 41 | A | 87.7 | Confident | 84.8 | Confident | 23 Ų | 23 | 96.3 Ų | 96.3 | 19% | 0.19 | 55% | 0.55 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.6 | 125.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | V34 I36 V39 | V34-A41 HydrophobicContact CB-CB 4.18Å; V34-A41 HydrophobicContact CG1-CB 4.43Å; V34-A41 WeakPolarHBondContact O-CB 3.45Å; V34-A41 PolarHBondContact O-N 3.38Å; I36-A41 HydrophobicContact CD1-CB 3.77Å; I36-A41 HydrophobicContact CG1-CB 4.01Å; V39-A41 PolarHBondContact O-N 3.08Å |
| 42 | R | 85.9 | Confident | 85.3 | Confident | 163 Ų | 163 | 91.8 Ų | 91.8 | 62% | 0.615 | 54% | 0.541 | S | S | * | . | | | trans | -98.8 | 19.5 | 179.1 | -58.5 | -178 | -62.7 | 169.9 | 3.4 | 112.5 | K45 D46 | R42-K45 HydrophobicContact CB-CB 4.2Å; R42-D46 WeakPolarHBondContact CB-OD2 3.46Å; R42-D46 IonicContact CZ-OD1 3.33Å; R42-D46 PolarHBondContact N-OD2 3.46Å; R42-D46 IonicContact NE-OD1 2.93Å; R42-D46 PolarHBondContact NE-OD1 3.41Å; R42-D46 IonicContact NE-OD2 3.99Å; R42-D46 IonicContact NH2-OD1 2.83Å; R42-D46 PolarHBondContact NH2-OD1 2.82Å |
| 43 | G | 84.6 | Confident | 85.4 | Confident | 38 Ų | 38 | 92.9 Ų | 92.9 | 39% | 0.392 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | 64.5 | -133.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K45 D46 F47 | G43-K45 PolarHBondContact O-N 3.03Å; G43-D46 PolarHBondContact O-N 3.05Å; G43-F47 WeakPolarHBondContact O-CD2 3.48Å |
| 44 | D | 81.8 | Confident | 85.1 | Confident | 133 Ų | 133 | 93.2 Ų | 93.2 | 71% | 0.711 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -59.9 | -24.4 | -171 | -50.6 | -37 | 0 | 0 | 0 | 113.5 | D46 F47 | D44-D46 PolarHBondContact O-N 3.25Å; D44-F47 CarbonylContact O-C 3.46Å; D44-F47 PolarHBondContact O-N 3.4Å; D44-F47 VanDerWaalsContact O-N 3.09Å |
| 45 | K | 83 | Confident | 84.5 | Confident | 167 Ų | 167 | 93.4 Ų | 93.4 | 73% | 0.726 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -63.2 | -24.1 | 175.6 | -69.1 | -176.1 | 178.2 | 176.1 | 0 | 113.8 | R42 G43 | R42-K45 HydrophobicContact CB-CB 4.2Å; G43-K45 PolarHBondContact O-N 3.03Å |
| 46 | D | 84.4 | Confident | 84 | Confident | 54 Ų | 54 | 94.9 Ų | 94.9 | 29% | 0.289 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -93.1 | -8 | 177.5 | -63.7 | -26.1 | 0 | 0 | 0 | 112.6 | R42 G43 D44 P48 | R42-D46 WeakPolarHBondContact CB-OD2 3.46Å; R42-D46 IonicContact CZ-OD1 3.33Å; R42-D46 PolarHBondContact N-OD2 3.46Å; R42-D46 IonicContact NE-OD1 2.93Å; R42-D46 PolarHBondContact NE-OD1 3.41Å; R42-D46 IonicContact NE-OD2 3.99Å; R42-D46 IonicContact NH2-OD1 2.83Å; R42-D46 PolarHBondContact NH2-OD1 2.82Å; G43-D46 PolarHBondContact O-N 3.05Å; D44-D46 PolarHBondContact O-N 3.25Å; D46-P48 VanDerWaalsContact C-CD 3.42Å |
| 47 | F | 83.3 | Confident | 83.7 | Confident | 139 Ų | 139 | 98.1 Ų | 98.1 | 61% | 0.61 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -126.9 | 57.9 | -178.7 | -59.2 | -82.8 | 0 | 0 | 0 | 112.7 | I36 G43 D44 | I36-F47 HydrophobicContact CD1-CZ 4.29Å; G43-F47 WeakPolarHBondContact O-CD2 3.48Å; D44-F47 CarbonylContact O-C 3.46Å; D44-F47 PolarHBondContact O-N 3.4Å; D44-F47 VanDerWaalsContact O-N 3.09Å |
| 48 | P | 87.5 | Confident | 83.3 | Confident | 62 Ų | 62 | 101.6 Ų | 101.6 | 40% | 0.403 | 57% | 0.57 | S | S | . | * | | | trans | -64.4 | 158.2 | 176.9 | 28.9 | -35.6 | 0 | 0 | 0 | 111.7 | D46 A50 A51 A52 | D46-P48 VanDerWaalsContact C-CD 3.42Å; P48-A50 PolarHBondContact O-N 3.25Å; P48-A51 HydrophobicContact CG-CB 4.16Å; P48-A51 WeakPolarHBondContact O-CA 3.49Å; P48-A51 VanDerWaalsContact O-CB 3.31Å; P48-A51 WeakPolarHBondContact O-CB 3.31Å; P48-A51 PolarHBondContact O-N 3.47Å; P48-A52 PolarHBondContact O-N 3.31Å |
| 49 | P | 82.6 | Confident | 83 | Confident | 100 Ų | 100 | 104.4 Ų | 104.4 | 65% | 0.649 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -53.3 | -33.2 | -179.8 | -28.8 | 35 | 0 | 0 | 0 | 114.3 | A51 A52 Q53 | P49-A51 VanDerWaalsContact C-N 3.3Å; P49-A51 PolarHBondContact O-N 3.4Å; P49-A52 WeakPolarHBondContact O-CB 3.49Å; P49-A52 PolarHBondContact O-N 3.37Å; P49-Q53 WeakPolarHBondContact O-CG 3.48Å; P49-Q53 PolarHBondContact O-N 3.41Å |
| 50 | A | 80.4 | Confident | 82.5 | Confident | 60 Ų | 60 | 108.4 Ų | 108.4 | 50% | 0.496 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61.5 | -35.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P48 Q53 V54 | P48-A50 PolarHBondContact O-N 3.25Å; A50-Q53 WeakPolarHBondContact O-CB 3.5Å; A50-Q53 PolarHBondContact O-N 2.76Å; A50-V54 WeakPolarHBondContact O-CG2 3.27Å; A50-V54 PolarHBondContact O-N 3.36Å; A50-V54 VanDerWaalsContact O-N 3.11Å |
| 51 | A | 81.9 | Confident | 82 | Confident | 46 Ų | 46 | 107.5 Ų | 107.5 | 38% | 0.38 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.5 | -40.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | P48 P49 Q53 V54 A55 | P48-A51 HydrophobicContact CG-CB 4.16Å; P48-A51 WeakPolarHBondContact O-CA 3.49Å; P48-A51 VanDerWaalsContact O-CB 3.31Å; P48-A51 WeakPolarHBondContact O-CB 3.31Å; P48-A51 PolarHBondContact O-N 3.47Å; P49-A51 VanDerWaalsContact C-N 3.3Å; P49-A51 PolarHBondContact O-N 3.4Å; A51-Q53 VanDerWaalsContact C-N 3.27Å; A51-Q53 PolarHBondContact O-N 3.09Å; A51-V54 PolarHBondContact O-N 3.3Å; A51-A55 PolarHBondContact O-N 2.93Å |
| 52 | A | 81.2 | Confident | 81.2 | Confident | 56 Ų | 56 | 112.2 Ų | 112.2 | 46% | 0.463 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61.6 | -37.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | P48 P49 V54 A55 H56 | P48-A52 PolarHBondContact O-N 3.31Å; P49-A52 WeakPolarHBondContact O-CB 3.49Å; P49-A52 PolarHBondContact O-N 3.37Å; A52-V54 PolarHBondContact O-N 3.03Å; A52-A55 WeakPolarHBondContact O-CB 3.5Å; A52-A55 PolarHBondContact O-N 3.24Å; A52-H56 PolarHBondContact O-CE1 3.48Å; A52-H56 PolarHBondContact O-ND1 2.72Å |
| 53 | Q | 82.8 | Confident | 80.5 | Confident | 132 Ų | 132 | 111.5 Ų | 111.5 | 62% | 0.617 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.8 | -36.6 | 176 | -68.2 | 173.6 | 18.6 | 0 | 0 | 112.8 | P49 A50 A51 A55 H56 | P49-Q53 WeakPolarHBondContact O-CG 3.48Å; P49-Q53 PolarHBondContact O-N 3.41Å; A50-Q53 WeakPolarHBondContact O-CB 3.5Å; A50-Q53 PolarHBondContact O-N 2.76Å; A51-Q53 VanDerWaalsContact C-N 3.27Å; A51-Q53 PolarHBondContact O-N 3.09Å; Q53-A55 VanDerWaalsContact C-N 3.27Å; Q53-A55 PolarHBondContact O-N 2.98Å; Q53-H56 WeakPolarHBondContact O-CB 3.44Å; Q53-H56 PolarHBondContact O-N 3.04Å; Q53-H56 VanDerWaalsContact O-N 3.08Å |
| 54 | V | 75.8 | Confident | 79.6 | Confident | 103 Ų | 103 | 116.4 Ų | 116.4 | 62% | 0.624 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -61.7 | -36.1 | 176.7 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | A50 A51 A52 H56 Q57 | A50-V54 WeakPolarHBondContact O-CG2 3.27Å; A50-V54 PolarHBondContact O-N 3.36Å; A50-V54 VanDerWaalsContact O-N 3.11Å; A51-V54 PolarHBondContact O-N 3.3Å; A52-V54 PolarHBondContact O-N 3.03Å; V54-H56 PolarHBondContact O-N 3.38Å; V54-Q57 PolarHBondContact O-N 2.83Å |
| 55 | A | 75.1 | Confident | 78.8 | Confident | 86 Ų | 86 | 119.2 Ų | 119.2 | 71% | 0.711 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -63.7 | -23 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A51 A52 Q53 | A51-A55 PolarHBondContact O-N 2.93Å; A52-A55 WeakPolarHBondContact O-CB 3.5Å; A52-A55 PolarHBondContact O-N 3.24Å; Q53-A55 VanDerWaalsContact C-N 3.27Å; Q53-A55 PolarHBondContact O-N 2.98Å |
| 56 | H | 79.7 | Confident | 77.9 | Confident | 161 Ų | 161 | 119.1 Ų | 119.1 | 75% | 0.745 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -83.2 | -16.6 | 175.9 | -63.1 | 85.4 | 0 | 0 | 0 | 112.6 | A52 Q53 V54 K58 | A52-H56 PolarHBondContact O-CE1 3.48Å; A52-H56 PolarHBondContact O-ND1 2.72Å; Q53-H56 WeakPolarHBondContact O-CB 3.44Å; Q53-H56 PolarHBondContact O-N 3.04Å; Q53-H56 VanDerWaalsContact O-N 3.08Å; V54-H56 PolarHBondContact O-N 3.38Å; H56-K58 PolarHBondContact O-N 3.38Å |
| 57 | Q | 80.1 | Confident | 76.9 | Confident | 158 Ų | 158 | 123.1 Ų | 123.1 | 74% | 0.738 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -86.1 | 102.4 | 171.8 | -73.7 | -139.4 | 74.4 | 0 | 0 | 110 | V54 | V54-Q57 PolarHBondContact O-N 2.83Š|
| 58 | K | 80.9 | Confident | 76.1 | Confident | 193 Ų | 193 | 121.5 Ų | 121.5 | 84% | 0.839 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 128.9 | 171.6 | -68.1 | -175.7 | -179.2 | 179.4 | 0 | 108.9 | H56 H60 | H56-K58 PolarHBondContact O-N 3.38Å; K58-H60 PolarHBondContact O-N 3.27Å |
| 59 | P | 84.3 | Confident | 75.1 | Confident | 128 Ų | 128 | 123.7 Ų | 123.7 | 83% | 0.831 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 126.9 | 176.2 | 21.2 | -29.4 | 0 | 0 | 0 | 109.2 | | |
| 60 | H | 80.2 | Confident | 74.3 | Confident | 181 Ų | 181 | 128.7 Ų | 128.7 | 84% | 0.838 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -70 | 131.7 | 171.2 | -166.8 | -84.6 | 0 | 0 | 0 | 108.1 | K58 S62 | K58-H60 PolarHBondContact O-N 3.27Å; H60-S62 PolarHBondContact O-N 3.05Å |
| 61 | A | 77.8 | Confident | 73.6 | Confident | 74 Ų | 74 | 131 Ų | 131 | 61% | 0.612 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 126.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | M63 | A61-M63 VanDerWaalsContact C-N 3.25Š|
| 62 | S | 72.7 | Confident | 72.8 | Confident | 122 Ų | 122 | 137 Ų | 137 | 85% | 0.853 | 74% | 0.737 | S | S | * | * | | | trans | -79 | -11.3 | 178.9 | 62.1 | 0 | 0 | 0 | 0 | 113 | H60 D64 | H60-S62 PolarHBondContact O-N 3.05Å; S62-D64 PolarHBondContact O-N 3.22Å |
| 63 | M | 69.6 | Low | 72.4 | Confident | 148 Ų | 148 | 141.1 Ų | 141.1 | 73% | 0.729 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -85.8 | 107 | 179.5 | -52.3 | -155.9 | 75.3 | 0 | 0 | 108.9 | A61 K65 | A61-M63 VanDerWaalsContact C-N 3.25Å; M63-K65 PolarHBondContact O-N 3.11Å |
| 64 | D | 65.6 | Low | 72.1 | Confident | 142 Ų | 142 | 141.2 Ų | 141.2 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | | | trans | -59.8 | 124.5 | 166.1 | -165.5 | 21 | 0 | 0 | 0 | 107.8 | S62 H66 | S62-D64 PolarHBondContact O-N 3.22Å; D64-H66 PolarHBondContact O-N 2.91Å |
| 65 | K | 66.5 | Low | 72.3 | Confident | 192 Ų | 192 | 145.4 Ų | 145.4 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | | | trans | -65.7 | 101.4 | -178.9 | -68.9 | 173.5 | -177.9 | 174.7 | 0 | 106.4 | M63 V67 | M63-K65 PolarHBondContact O-N 3.11Å; K65-V67 PolarHBondContact O-N 3.23Å; K65-V67 VanDerWaalsContact O-N 3.08Å |
| 66 | H | 62.9 | Low | 72.8 | Confident | 164 Ų | 164 | 147.9 Ų | 147.9 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | | | trans | -46 | 122.4 | 176.6 | -65.3 | -66.9 | 0 | 0 | 0 | 109.7 | D64 S68 | D64-H66 PolarHBondContact O-N 2.91Å; H66-S68 PolarHBondContact O-N 3.32Å |
| 67 | V | 64.4 | Low | 73.1 | Confident | 138 Ų | 138 | 145.9 Ų | 145.9 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | | | trans | -59.3 | 110.1 | 168.3 | -169.9 | 0 | 0 | 0 | 0 | 105.7 | K65 P69 | K65-V67 PolarHBondContact O-N 3.23Å; K65-V67 VanDerWaalsContact O-N 3.08Å; V67-P69 WeakPolarHBondContact O-CD 3.42Å |
| 68 | S | 66.9 | Low | 73.1 | Confident | 106 Ų | 106 | 150 Ų | 150 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | | | trans | -47.4 | 111.2 | -177.1 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | H66 R70 | H66-S68 PolarHBondContact O-N 3.32Å; S68-R70 PolarHBondContact O-N 3.01Å |
| 69 | P | 65.8 | Low | 72.8 | Confident | 107 Ų | 107 | 154.4 Ų | 154.4 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | | | trans | -90.6 | 104.9 | 178.6 | 26.9 | -15.6 | 0 | 0 | 0 | 108.9 | V67 | V67-P69 WeakPolarHBondContact O-CD 3.42Š|
| 70 | R | 64.9 | Low | 72.3 | Confident | 206 Ų | 206 | 155.7 Ų | 155.7 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | | | trans | 70.4 | 137.6 | 159.7 | -70.3 | -178.1 | -171.1 | -128.7 | -0.8 | 118.3 | S68 Q72 | S68-R70 PolarHBondContact O-N 3.01Å; R70-Q72 PolarHBondContact O-N 3.06Å; R70-Q72 VanDerWaalsContact O-N 3.16Å |
| 71 | T | 65.8 | Low | 71.8 | Confident | 109 Ų | 109 | 154.4 Ų | 154.4 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | | | trans | -52.7 | 115.1 | 155.8 | 41.1 | 0 | 0 | 0 | 0 | 109.3 | H73 | T71-H73 VanDerWaalsContact C-N 3.26Å; T71-H73 PolarHBondContact O-CE1 3.43Å; T71-H73 VanDerWaalsContact O-CE1 3.3Å; T71-H73 PolarHBondContact O-N 2.79Å; T71-H73 PolarHBondContact O-ND1 2.79Å |
| 72 | Q | 66.5 | Low | 71.5 | Confident | 170 Ų | 170 | 158.8 Ų | 158.8 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | trans | -67.9 | 89.9 | 166 | -66.4 | -79.6 | -12.4 | 0 | 0 | 106.4 | R70 I74 | R70-Q72 PolarHBondContact O-N 3.06Å; R70-Q72 VanDerWaalsContact O-N 3.16Å; Q72-I74 VanDerWaalsContact C-N 3.29Å; Q72-I74 PolarHBondContact O-N 3.08Å |
| 73 | H | 71.9 | Confident | 71.5 | Confident | 144 Ų | 144 | 161 Ų | 161 | 67% | 0.667 | 79% | 0.789 | S | S | * | * | | | trans | -65.6 | 93.8 | 175.2 | -5.9 | -98 | 0 | 0 | 0 | 107.7 | T71 Q75 | T71-H73 VanDerWaalsContact C-N 3.26Å; T71-H73 PolarHBondContact O-CE1 3.43Å; T71-H73 VanDerWaalsContact O-CE1 3.3Å; T71-H73 PolarHBondContact O-N 2.79Å; T71-H73 PolarHBondContact O-ND1 2.79Å; H73-Q75 PolarHBondContact O-N 2.82Å; H73-Q75 VanDerWaalsContact O-N 3.13Å |
| 74 | I | 76.9 | Confident | 71.6 | Confident | 133 Ų | 133 | 161.8 Ų | 161.8 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | | | trans | -65.9 | 113.7 | 176.1 | -55.3 | 173.2 | 0 | 0 | 0 | 106.9 | Q72 Q76 | Q72-I74 VanDerWaalsContact C-N 3.29Å; Q72-I74 PolarHBondContact O-N 3.08Å; I74-Q76 PolarHBondContact O-N 3.27Å; I74-Q76 VanDerWaalsContact O-N 3.15Å |
| 75 | Q | 80.3 | Confident | 72 | Confident | 191 Ų | 191 | 163.1 Ų | 163.1 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | | | trans | -76.1 | 105.8 | 179.5 | -155.2 | 162.4 | 94.7 | 0 | 0 | 108.6 | H73 | H73-Q75 PolarHBondContact O-N 2.82Å; H73-Q75 VanDerWaalsContact O-N 3.13Å |
| 76 | Q | 85.3 | Confident | 72.4 | Confident | 138 Ų | 138 | 161.1 Ų | 161.1 | 65% | 0.645 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 141.1 | 175.3 | -63.8 | -65.7 | -43 | 0 | 0 | 109.6 | I74 R78 | I74-Q76 PolarHBondContact O-N 3.27Å; I74-Q76 VanDerWaalsContact O-N 3.15Å; Q76-R78 PolarHBondContact O-N 2.9Å |
| 77 | P | 85.3 | Confident | 73.1 | Confident | 120 Ų | 120 | 160.8 Ų | 160.8 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 123 | 174.8 | 24.6 | -31 | 0 | 0 | 0 | 109.5 | | |
| 78 | R | 81.1 | Confident | 73.8 | Confident | 245 Ų | 245 | 162.8 Ų | 162.8 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 138.6 | 169.7 | -74.6 | -179.1 | 171.7 | 159.3 | -2.5 | 108.8 | Q76 | Q76-R78 PolarHBondContact O-N 2.9Š|
| 79 | K | 75.1 | Confident | 74.4 | Confident | 284 Ų | 284 | 167.9 Ų | 167.9 | 100% | 1.235 | 80% | 0.796 | S | S | * | * | | | trans | -63.4 | 0 | 177.2 | -69.9 | -173 | 177.7 | -175.1 | 0 | 111.9 | | |