| 1 | M | 45.7 | Very low | 61.4 | Low | 249 Ų | 249 | 148 Ų | 148 | 100% | 1.227 | 81% | 0.814 | S | S | * | * | | | | 0 | 107.6 | 0 | -66.1 | 173 | -173.8 | 0 | 0 | 106.9 | | |
| 2 | A | 59.2 | Low | 61.4 | Low | 103 Ų | 103 | 142.5 Ų | 142.5 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 125.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 3 | Q | 61.5 | Low | 61.5 | Low | 153 Ų | 153 | 140 Ų | 140 | 72% | 0.715 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 126.6 | 173.8 | -178.6 | 173.8 | -28.5 | 0 | 0 | 108.9 | | |
| 4 | P | 61.3 | Low | 61.9 | Low | 100 Ų | 100 | 137.2 Ų | 137.2 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 142.7 | 179 | 25.7 | -31.7 | 0 | 0 | 0 | 110.3 | R6 | P4-R6 PolarHBondContact O-N 2.79Š|
| 5 | P | 65.8 | Low | 62 | Low | 116 Ų | 116 | 139.1 Ų | 139.1 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 133.7 | 176.7 | 25.6 | -31.9 | 0 | 0 | 0 | 109 | L7 | P5-L7 PolarHBondContact O-N 3.48Š|
| 6 | R | 67.7 | Low | 62.5 | Low | 213 Ų | 213 | 142.4 Ų | 142.4 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -59.5 | 102.3 | 177.1 | -72.6 | -76.4 | -153.1 | -84.8 | -3.3 | 108.4 | P4 S8 | P4-R6 PolarHBondContact O-N 2.79Å; R6-S8 PolarHBondContact O-N 3.3Å |
| 7 | L | 62.5 | Low | 63 | Low | 162 Ų | 162 | 142.9 Ų | 142.9 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | | | trans | -58.3 | 120.1 | 172.8 | -80.8 | 157.3 | 0 | 0 | 0 | 108.8 | P5 | P5-L7 PolarHBondContact O-N 3.48Š|
| 8 | S | 65.1 | Low | 63.2 | Low | 96 Ų | 96 | 138.8 Ų | 138.8 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | | | trans | 44.8 | 102.9 | 154.7 | -55.2 | 0 | 0 | 0 | 0 | 116.2 | R6 S10 | R6-S8 PolarHBondContact O-N 3.3Å; S8-S10 PolarHBondContact O-N 2.85Å |
| 9 | R | 65.8 | Low | 63.5 | Low | 252 Ų | 252 | 137.4 Ų | 137.4 | 95% | 0.951 | 78% | 0.783 | S | S | * | * | | | trans | -51.4 | 103.7 | 159.1 | 176.6 | 171.6 | 147.4 | -169.5 | -6.5 | 107.5 | G11 | R9-G11 PolarHBondContact O-N 2.76Š|
| 10 | S | 60.8 | Low | 63.6 | Low | 124 Ų | 124 | 134.8 Ų | 134.8 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | | | trans | -56.7 | 82.5 | 178.4 | -74 | 0 | 0 | 0 | 0 | 110.7 | S8 | S8-S10 PolarHBondContact O-N 2.85Š|
| 11 | G | 60.4 | Low | 63.6 | Low | 60 Ų | 60 | 134.4 Ų | 134.4 | 62% | 0.619 | 78% | 0.777 | S | S | * | * | | | trans | -102.8 | 36.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | R9 S13 | R9-G11 PolarHBondContact O-N 2.76Å; G11-S13 PolarHBondContact O-N 3.05Å |
| 12 | A | 60.7 | Low | 64.8 | Low | 82 Ų | 82 | 125.5 Ų | 125.5 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | | | trans | -78.1 | 64 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | S14 | A12-S14 VanDerWaalsContact C-N 3.31Å; A12-S14 PolarHBondContact O-N 3.32Å |
| 13 | S | 63.4 | Low | 65.1 | Low | 110 Ų | 110 | 126.6 Ų | 126.6 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -76.8 | 90.3 | 168.8 | -55 | 0 | 0 | 0 | 0 | 106.9 | G11 | G11-S13 PolarHBondContact O-N 3.05Š|
| 14 | S | 66.3 | Low | 65.3 | Low | 101 Ų | 101 | 125.5 Ų | 125.5 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | trans | 83.9 | 77.3 | 173.1 | -44.8 | 0 | 0 | 0 | 0 | 115.9 | A12 | A12-S14 VanDerWaalsContact C-N 3.31Å; A12-S14 PolarHBondContact O-N 3.32Å |
| 15 | L | 64.2 | Low | 65.5 | Low | 166 Ų | 166 | 126.7 Ų | 126.7 | 87% | 0.869 | 76% | 0.755 | S | S | * | * | | | trans | -97.6 | 25 | 168.1 | -163.1 | 74.3 | 0 | 0 | 0 | 112.4 | | |
| 16 | W | 70.2 | Confident | 65.6 | Low | 192 Ų | 192 | 123.3 Ų | 123.3 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | | | trans | -129.7 | 121.6 | 173 | 60.6 | -90.1 | 0 | 0 | 0 | 108.3 | P18 | W16-P18 HydrophobicContact CZ3-CB 3.99Š|
| 17 | D | 70.4 | Confident | 65.9 | Low | 150 Ų | 150 | 119.1 Ų | 119.1 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | | | trans | -83.4 | 124 | 176.4 | -141.2 | -58.3 | 0 | 0 | 0 | 107.7 | A19 | D17-A19 PolarHBondContact O-N 2.98Š|
| 18 | P | 67.1 | Low | 66.5 | Low | 69 Ų | 69 | 122.3 Ų | 122.3 | 45% | 0.448 | 74% | 0.743 | S | S | . | * | | | trans | -69.4 | 97.8 | 174.3 | 27.5 | -31.5 | 0 | 0 | 0 | 109 | W16 S20 | W16-P18 HydrophobicContact CZ3-CB 3.99Å; P18-S20 PolarHBondContact O-N 2.8Å |
| 19 | A | 68.3 | Low | 66.9 | Low | 112 Ų | 112 | 122.8 Ų | 122.8 | 93% | 0.926 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -65.1 | 7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D17 | D17-A19 PolarHBondContact O-N 2.98Š|
| 20 | S | 65.6 | Low | 67.8 | Low | 86 Ų | 86 | 120.4 Ų | 120.4 | 60% | 0.601 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -142.8 | 142.1 | -177.6 | -164.3 | 0 | 0 | 0 | 0 | 109.1 | P18 A22 | P18-S20 PolarHBondContact O-N 2.8Å; S20-A22 PolarHBondContact O-N 3.5Å |
| 21 | P | 64.8 | Low | 69.1 | Low | 127 Ų | 127 | 119.5 Ų | 119.5 | 83% | 0.825 | 72% | 0.72 | S | S | * | * | | | trans | -62.6 | 96.6 | 178.3 | 25.4 | -33.1 | 0 | 0 | 0 | 109.5 | | |
| 22 | A | 70 | Confident | 70.6 | Confident | 61 Ų | 61 | 124 Ų | 124 | 50% | 0.504 | 72% | 0.718 | S | S | . | * | | | trans | -64.7 | 138.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | S20 T24 | S20-A22 PolarHBondContact O-N 3.5Å; A22-T24 PolarHBondContact O-N 2.81Å |
| 23 | P | 64.8 | Low | 72.3 | Confident | 126 Ų | 126 | 127.1 Ų | 127.1 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | | | trans | -56 | 113.8 | 168.5 | 24.4 | -31.8 | 0 | 0 | 0 | 107 | S25 | P23-S25 PolarHBondContact O-N 2.8Š|
| 24 | T | 65.9 | Low | 73.7 | Confident | 130 Ų | 130 | 124.2 Ų | 124.2 | 80% | 0.798 | 71% | 0.706 | S | S | * | * | | | trans | -58.9 | 116.7 | 178.9 | 54.4 | 0 | 0 | 0 | 0 | 106.9 | A22 G26 | A22-T24 PolarHBondContact O-N 2.81Å; T24-G26 PolarHBondContact O-N 2.9Å |
| 25 | S | 66.6 | Low | 75.1 | Confident | 125 Ų | 125 | 121 Ų | 121 | 87% | 0.874 | 68% | 0.68 | S | S | * | * | | | trans | -67.3 | 80.7 | 179.1 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | P23 | P23-S25 PolarHBondContact O-N 2.8Š|
| 26 | G | 66.5 | Low | 76.5 | Confident | 46 Ų | 46 | 118 Ų | 118 | 47% | 0.474 | 67% | 0.665 | S | S | . | * | S | Bend | trans | 57.2 | 166.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | T24 R28 | T24-G26 PolarHBondContact O-N 2.9Å; G26-R28 PolarHBondContact O-N 2.72Å |
| 27 | P | 73.8 | Confident | 77.7 | Confident | 125 Ų | 125 | 111 Ų | 111 | 81% | 0.812 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 124 | 163.3 | 25.4 | -30 | 0 | 0 | 0 | 108.6 | P29 | P27-P29 WeakPolarHBondContact O-CD 3.41Å; P27-P29 VanDerWaalsContact O-N 3.15Å |
| 28 | R | 75.5 | Confident | 78.9 | Confident | 229 Ų | 229 | 109.3 Ų | 109.3 | 86% | 0.864 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 120.9 | 169.4 | -178.2 | 176.5 | 178.9 | -161.4 | -0.6 | 107.7 | G26 R30 | G26-R28 PolarHBondContact O-N 2.72Å; R28-R30 PolarHBondContact O-N 3.47Å; R28-R30 VanDerWaalsContact O-N 3.07Å |
| 29 | P | 73.9 | Confident | 80.2 | Confident | 105 Ų | 105 | 108.3 Ų | 108.3 | 68% | 0.682 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -58 | 120.1 | -179.7 | -22.9 | 32.3 | 0 | 0 | 0 | 109.1 | P27 | P27-P29 WeakPolarHBondContact O-CD 3.41Å; P27-P29 VanDerWaalsContact O-N 3.15Å |
| 30 | R | 84 | Confident | 81.6 | Confident | 202 Ų | 202 | 112.6 Ų | 112.6 | 76% | 0.762 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 136 | 172.5 | -62.7 | -173.8 | 85.5 | 171.6 | 5.5 | 107.3 | R28 W32 Q35 | R28-R30 PolarHBondContact O-N 3.47Å; R28-R30 VanDerWaalsContact O-N 3.07Å; R30-W32 HydrophobicContact CB-CE3 4.39Å; R30-Q35 PolarHBondContact O-OE1 2.89Å |
| 31 | L | 89.3 | Confident | 83.2 | Confident | 106 Ų | 106 | 116.4 Ų | 116.4 | 56% | 0.555 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 116.6 | 177.7 | -153.9 | 75.9 | 0 | 0 | 0 | 109.1 | Q35 V37 I51 C54 | L31-Q35 VanDerWaalsContact CA-OE1 3.31Å; L31-V37 HydrophobicContact CD1-CG1 4.46Å; L31-I51 HydrophobicContact CD1-CD1 3.03Å; L31-I51 HydrophobicContact CG-CD1 3.26Å; L31-I51 HydrophobicContact CD2-CD1 4.06Å; L31-I51 HydrophobicContact CD1-CG1 4.42Å; L31-I51 HydrophobicContact CB-CD1 4.48Å; L31-C54 PolarHBondContact O-SG 2.79Å; L31-C54 HydrophobicContact CD2-CB 4.44Å |
| 32 | W | 92.1 | Very high | 84.7 | Confident | 154 Ų | 154 | 117 Ų | 117 | 58% | 0.583 | 63% | 0.626 | S | S | * | * | | | trans | -130.1 | 153.3 | 175.6 | 57.2 | 59.2 | 0 | 0 | 0 | 112.5 | R30 G34 Q35 I51 C54 | R30-W32 HydrophobicContact CB-CE3 4.39Å; W32-G34 PolarHBondContact O-N 3.23Å; W32-Q35 VanDerWaalsContact CD1-CB 3.4Å; W32-Q35 HydrophobicContact CG-CB 4.24Å; W32-Q35 VanDerWaalsContact N-OE1 3.16Å; W32-Q35 WeakPolarHBondContact O-CB 3.37Å; W32-Q35 PolarHBondContact O-N 3.4Å; W32-Q35 VanDerWaalsContact O-N 3.1Å; W32-I51 WeakPolarHBondContact O-CB 3.32Å; W32-C54 WeakPolarHBondContact CA-SG 3.33Å |
| 33 | E | 95.4 | Very high | 86 | Confident | 147 Ų | 147 | 118.2 Ų | 118.2 | 69% | 0.687 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | 136 | 172.1 | -172.9 | 176.4 | 173.6 | 0 | 0 | 109.7 | Q35 I51 | E33-Q35 VanDerWaalsContact C-N 3.35Å; E33-I51 CarbonylContact C-O 3.52Å; E33-I51 WeakPolarHBondContact CA-O 3.5Å |
| 34 | G | 93.7 | Very high | 87.6 | Confident | 50 Ų | 50 | 114.3 Ų | 114.3 | 52% | 0.515 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 84.8 | -0.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | W32 I51 | W32-G34 PolarHBondContact O-N 3.23Å; G34-I51 PolarHBondContact N-O 3.1Å |
| 35 | Q | 94.9 | Very high | 89.1 | Confident | 33 Ų | 33 | 113.1 Ų | 113.1 | 15% | 0.154 | 60% | 0.595 | C | S | . | * | | | trans | -75.3 | 133.1 | 174.8 | -163 | 174.9 | -3.2 | 0 | 0 | 111.5 | R30 L31 W32 E33 V37 T50 I51 | R30-Q35 PolarHBondContact O-OE1 2.89Å; L31-Q35 VanDerWaalsContact CA-OE1 3.31Å; W32-Q35 VanDerWaalsContact CD1-CB 3.4Å; W32-Q35 HydrophobicContact CG-CB 4.24Å; W32-Q35 VanDerWaalsContact N-OE1 3.16Å; W32-Q35 WeakPolarHBondContact O-CB 3.37Å; W32-Q35 PolarHBondContact O-N 3.4Å; W32-Q35 VanDerWaalsContact O-N 3.1Å; E33-Q35 VanDerWaalsContact C-N 3.35Å; Q35-V37 HydrophobicContact CG-CG1 4.15Å; Q35-T50 CarbonylContact O-C 3.57Å; Q35-T50 WeakPolarHBondContact O-CA 3.36Å; Q35-I51 WeakPolarHBondContact O-CG1 3.45Å; Q35-I51 PolarHBondContact O-N 2.94Å; Q35-I51 HydrophobicContact CB-CB 4.5Å; Q35-I51 HydrophobicContact CB-CD1 3.93Å; Q35-I51 HydrophobicContact CB-CG1 4.22Å |
| 36 | D | 94.8 | Very high | 90.6 | Very high | 103 Ų | 103 | 112.3 Ų | 112.3 | 55% | 0.551 | 58% | 0.58 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.5 | 131.5 | 166.2 | -67.3 | -35 | 0 | 0 | 0 | 110.9 | L48 G49 T50 | D36-L48 HydrophobicContact CB-CD1 4.18Å; D36-G49 WeakPolarHBondContact CA-O 3.41Å; D36-T50 PolarHBondContact OD1-OG1 2.92Å |
| 37 | V | 94.1 | Very high | 92.1 | Very high | 44 Ų | 44 | 115 Ų | 115 | 27% | 0.267 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -137.1 | 155.4 | -177.9 | -67.3 | 0 | 0 | 0 | 0 | 111.6 | L31 Q35 L48 G49 I51 | L31-V37 HydrophobicContact CD1-CG1 4.46Å; Q35-V37 HydrophobicContact CG-CG1 4.15Å; V37-L48 WeakPolarHBondContact O-CA 3.35Å; V37-G49 WeakPolarHBondContact CG2-O 3.39Å; V37-G49 PolarHBondContact N-O 2.73Å; V37-G49 PolarHBondContact O-N 3Å; V37-I51 HydrophobicContact CG2-CG1 3.79Å; V37-I51 HydrophobicContact CG2-CD1 4.25Å; V37-I51 HydrophobicContact CG1-CG1 4.03Å; V37-I51 HydrophobicContact CG1-CD1 3.71Å |
| 38 | L | 95.8 | Very high | 93.2 | Very high | 115 Ų | 115 | 115.3 Ų | 115.3 | 60% | 0.602 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.8 | 103.9 | 171.1 | -66.8 | 173.6 | 0 | 0 | 0 | 109.3 | L46 Y47 L48 | L38-L46 HydrophobicContact CB-CB 4.32Å; L38-L46 HydrophobicContact CB-CD1 4.41Å; L38-L46 HydrophobicContact CB-CD2 4.38Å; L38-L46 HydrophobicContact CD1-CD1 4.32Å; L38-Y47 CarbonylContact C-O 3.53Å; L38-Y47 WeakPolarHBondContact CA-O 3.39Å; L38-L48 HydrophobicContact CD2-CB 4.22Å; L38-L48 HydrophobicContact CD2-CD1 4.1Å |
| 39 | A | 94.8 | Very high | 94.2 | Very high | 49 Ų | 49 | 105.9 Ų | 105.9 | 41% | 0.405 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 131.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L46 Y47 | A39-L46 WeakPolarHBondContact O-CA 3.5Å; A39-L46 CarbonylContact O-C 3.55Å; A39-Y47 PolarHBondContact N-O 3.07Å; A39-Y47 PolarHBondContact O-N 2.88Å |
| 40 | R | 97.7 | Very high | 95.3 | Very high | 201 Ų | 201 | 104.7 Ų | 104.7 | 76% | 0.758 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 125.1 | 173.7 | -177.8 | 174.6 | 170.5 | 177.8 | -1.7 | 110.1 | L45 L46 | R40-L45 WeakPolarHBondContact CA-O 3.43Å; R40-L46 HydrophobicContact CB-CD2 3.91Å |
| 41 | W | 98.1 | Very high | 95.8 | Very high | 167 Ų | 167 | 95.9 Ų | 95.9 | 63% | 0.633 | 50% | 0.504 | S | S | * | . | | | trans | -97.4 | 174.2 | 175.6 | -159.1 | -112.9 | 0 | 0 | 0 | 112.2 | D43 G44 L45 Y47 | W41-D43 WeakPolarHBondContact CB-OD1 3.42Å; W41-D43 PolarHBondContact O-N 2.85Å; W41-G44 PolarHBondContact O-N 2.69Å; W41-L45 PolarHBondContact N-O 3.21Å; W41-Y47 HydrophobicContact CG-CD2 4.46Å; W41-Y47 HydrophobicContact CG-CE2 4.07Å; W41-Y47 HydrophobicContact CB-CE2 3.32Å; W41-Y47 HydrophobicContact CB-CD2 3.58Å |
| 42 | T | 97.8 | Very high | 96 | Very high | 138 Ų | 138 | 99.2 Ų | 99.2 | 85% | 0.847 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -19.4 | -176 | 52.4 | 0 | 0 | 0 | 0 | 113.8 | G44 | T42-G44 PolarHBondContact O-N 2.79Š|
| 43 | D | 97.3 | Very high | 95.8 | Very high | 87 Ų | 87 | 100.6 Ų | 100.6 | 47% | 0.465 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -5.4 | 171.7 | 53.1 | 26.5 | 0 | 0 | 0 | 113.3 | W41 L45 Y47 | W41-D43 WeakPolarHBondContact CB-OD1 3.42Å; W41-D43 PolarHBondContact O-N 2.85Å; D43-L45 WeakPolarHBondContact OD1-CB 3.19Å; D43-L45 PolarHBondContact OD1-N 3.07Å; D43-Y47 PolarHBondContact OD2-OH 3.26Å |
| 44 | G | 97.8 | Very high | 94.7 | Very high | 44 Ų | 44 | 99 Ų | 99 | 45% | 0.454 | 53% | 0.528 | S | S | . | . | S | Bend | trans | 86.9 | -0.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | W41 T42 | W41-G44 PolarHBondContact O-N 2.69Å; T42-G44 PolarHBondContact O-N 2.79Å |
| 45 | L | 98.3 | Very high | 94.8 | Very high | 105 Ų | 105 | 101.5 Ų | 101.5 | 55% | 0.55 | 53% | 0.529 | S | S | . | . | | | trans | -86.4 | 158.3 | 177.6 | -61.7 | 178.5 | 0 | 0 | 0 | 112 | R40 W41 D43 Y47 | R40-L45 WeakPolarHBondContact CA-O 3.43Å; W41-L45 PolarHBondContact N-O 3.21Å; D43-L45 WeakPolarHBondContact OD1-CB 3.19Å; D43-L45 PolarHBondContact OD1-N 3.07Å; L45-Y47 HydrophobicContact CB-CE2 3.73Å |
| 46 | L | 98 | Very high | 94.8 | Very high | 108 Ų | 108 | 105.1 Ų | 105.1 | 57% | 0.565 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 132 | 173.7 | -68.5 | 177.3 | 0 | 0 | 0 | 109.9 | L38 A39 R40 | L38-L46 HydrophobicContact CB-CB 4.32Å; L38-L46 HydrophobicContact CB-CD1 4.41Å; L38-L46 HydrophobicContact CB-CD2 4.38Å; L38-L46 HydrophobicContact CD1-CD1 4.32Å; A39-L46 WeakPolarHBondContact O-CA 3.5Å; A39-L46 CarbonylContact O-C 3.55Å; R40-L46 HydrophobicContact CB-CD2 3.91Å |
| 47 | Y | 97.4 | Very high | 94.8 | Very high | 104 Ų | 104 | 105.2 Ų | 105.2 | 41% | 0.408 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 127.9 | -179.2 | -68 | -93.6 | 0 | 0 | 0 | 109.5 | L38 A39 W41 D43 L45 G49 | L38-Y47 CarbonylContact C-O 3.53Å; L38-Y47 WeakPolarHBondContact CA-O 3.39Å; A39-Y47 PolarHBondContact N-O 3.07Å; A39-Y47 PolarHBondContact O-N 2.88Å; W41-Y47 HydrophobicContact CG-CD2 4.46Å; W41-Y47 HydrophobicContact CG-CE2 4.07Å; W41-Y47 HydrophobicContact CB-CE2 3.32Å; W41-Y47 HydrophobicContact CB-CD2 3.58Å; D43-Y47 PolarHBondContact OD2-OH 3.26Å; L45-Y47 HydrophobicContact CB-CE2 3.73Å; Y47-G49 PolarHBondContact O-N 2.91Å |
| 48 | L | 97.4 | Very high | 94.8 | Very high | 131 Ų | 131 | 108.8 Ų | 108.8 | 69% | 0.686 | 57% | 0.565 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -72.3 | 127.7 | 171.2 | -173.4 | 64.5 | 0 | 0 | 0 | 109.3 | D36 V37 L38 | D36-L48 HydrophobicContact CB-CD1 4.18Å; V37-L48 WeakPolarHBondContact O-CA 3.35Å; L38-L48 HydrophobicContact CD2-CB 4.22Å; L38-L48 HydrophobicContact CD2-CD1 4.1Å |
| 49 | G | 95.8 | Very high | 94.7 | Very high | 30 Ų | 30 | 108.4 Ų | 108.4 | 31% | 0.309 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -150.2 | 155.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | D36 V37 Y47 | D36-G49 WeakPolarHBondContact CA-O 3.41Å; V37-G49 WeakPolarHBondContact CG2-O 3.39Å; V37-G49 PolarHBondContact N-O 2.73Å; V37-G49 PolarHBondContact O-N 3Å; Y47-G49 PolarHBondContact O-N 2.91Å |
| 50 | T | 96.6 | Very high | 94.7 | Very high | 80 Ų | 80 | 112.4 Ų | 112.4 | 49% | 0.491 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.3 | 135.3 | 177.2 | -46.2 | 0 | 0 | 0 | 0 | 109.8 | Q35 D36 K52 | Q35-T50 CarbonylContact O-C 3.57Å; Q35-T50 WeakPolarHBondContact O-CA 3.36Å; D36-T50 PolarHBondContact OD1-OG1 2.92Å; T50-K52 PolarHBondContact O-N 2.9Å |
| 51 | I | 94.1 | Very high | 94.5 | Very high | 18 Ų | 18 | 106.1 Ų | 106.1 | 9% | 0.092 | 56% | 0.559 | C | S | . | * | | | trans | -72.1 | 120.9 | 179.9 | -58.3 | -175.1 | 0 | 0 | 0 | 109.5 | L31 W32 E33 G34 Q35 V37 K53 C54 | L31-I51 HydrophobicContact CD1-CD1 3.03Å; L31-I51 HydrophobicContact CG-CD1 3.26Å; L31-I51 HydrophobicContact CD2-CD1 4.06Å; L31-I51 HydrophobicContact CD1-CG1 4.42Å; L31-I51 HydrophobicContact CB-CD1 4.48Å; W32-I51 WeakPolarHBondContact O-CB 3.32Å; E33-I51 CarbonylContact C-O 3.52Å; E33-I51 WeakPolarHBondContact CA-O 3.5Å; G34-I51 PolarHBondContact N-O 3.1Å; Q35-I51 WeakPolarHBondContact O-CG1 3.45Å; Q35-I51 PolarHBondContact O-N 2.94Å; Q35-I51 HydrophobicContact CB-CB 4.5Å; Q35-I51 HydrophobicContact CB-CD1 3.93Å; Q35-I51 HydrophobicContact CB-CG1 4.22Å; V37-I51 HydrophobicContact CG2-CG1 3.79Å; V37-I51 HydrophobicContact CG2-CD1 4.25Å; V37-I51 HydrophobicContact CG1-CG1 4.03Å; V37-I51 HydrophobicContact CG1-CD1 3.71Å; I51-K53 WeakPolarHBondContact CG2-O 3.43Å; I51-C54 VanDerWaalsContact CG2-SG 3.55Å |
| 52 | K | 94.4 | Very high | 94.3 | Very high | 175 Ų | 175 | 101.4 Ų | 101.4 | 76% | 0.761 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -97.6 | -16.1 | 175 | -60.6 | -172.1 | 68.6 | -178.2 | 0 | 113.2 | T50 | T50-K52 PolarHBondContact O-N 2.9Š|
| 53 | K | 88.3 | Confident | 94 | Very high | 183 Ų | 183 | 98.3 Ų | 98.3 | 80% | 0.796 | 53% | 0.529 | S | S | * | . | | | trans | -159.6 | 132.5 | -179.1 | -172.5 | 168 | -177.5 | 173.5 | 0 | 109.5 | I51 | I51-K53 WeakPolarHBondContact CG2-O 3.43Š|
| 54 | C | 72.3 | Confident | 93.7 | Very high | 115 Ų | 115 | 99.4 Ų | 99.4 | 78% | 0.777 | 54% | 0.535 | S | S | * | . | | | trans | -102.6 | 0 | 173.4 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | L31 W32 I51 | L31-C54 PolarHBondContact O-SG 2.79Å; L31-C54 HydrophobicContact CD2-CB 4.44Å; W32-C54 WeakPolarHBondContact CA-SG 3.33Å; I51-C54 VanDerWaalsContact CG2-SG 3.55Å |