| 1 | M | 69.7 | Low | 84.1 | Confident | 242 Ų | 242 | 120.3 Ų | 120.3 | 100% | 1.192 | 65% | 0.645 | S | S | * | * | | | | 0 | 127.4 | 0 | -68.7 | 168.4 | 133.9 | 0 | 0 | 107.9 | | |
| 2 | K | 79.3 | Confident | 84.5 | Confident | 207 Ų | 207 | 119.3 Ų | 119.3 | 90% | 0.9 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 118.7 | -177.6 | -170.2 | 139.3 | 80.8 | 173 | 0 | 109.2 | | |
| 3 | I | 75.1 | Confident | 84.8 | Confident | 127 Ų | 127 | 115.6 Ų | 115.6 | 65% | 0.651 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 126.2 | 177.2 | -59.4 | 171.4 | 0 | 0 | 0 | 107.7 | I5 V8 | I3-I5 PolarHBondContact O-N 3.01Å; I3-V8 HydrophobicContact CG2-CG2 3.95Å |
| 4 | P | 79.8 | Confident | 85 | Confident | 86 Ų | 86 | 115.1 Ų | 115.1 | 56% | 0.558 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 127.5 | 173.7 | 24.4 | -30.9 | 0 | 0 | 0 | 109.5 | L6 P7 | P4-L6 VanDerWaalsContact C-N 3.34Å; P4-P7 HydrophobicContact CB-CG 3.98Å; P4-P7 HydrophobicContact CG-CG 3.67Å; P4-P7 WeakPolarHBondContact O-CD 3.49Å; P4-P7 WeakPolarHBondContact O-CG 3.47Å |
| 5 | I | 84.9 | Confident | 85 | Confident | 137 Ų | 137 | 115.1 Ų | 115.1 | 70% | 0.703 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -70.8 | -33.2 | -174.9 | -61.3 | 171.1 | 0 | 0 | 0 | 111.2 | I3 V8 V9 | I3-I5 PolarHBondContact O-N 3.01Å; I5-V8 WeakPolarHBondContact O-CB 3.32Å; I5-V8 PolarHBondContact O-N 3.4Å; I5-V8 VanDerWaalsContact O-N 3.17Å; I5-V9 HydrophobicContact CG2-CG2 4.14Å; I5-V9 WeakPolarHBondContact O-CG2 3.49Å; I5-V9 PolarHBondContact O-N 3.38Å; I5-V9 VanDerWaalsContact O-N 3.13Å |
| 6 | L | 87.3 | Confident | 85 | Confident | 145 Ų | 145 | 111.6 Ų | 111.6 | 76% | 0.759 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -55.8 | -49.6 | -177 | -168.5 | 67.8 | 0 | 0 | 0 | 114.2 | P4 V8 V9 A10 | P4-L6 VanDerWaalsContact C-N 3.34Å; L6-V8 VanDerWaalsContact C-N 3.32Å; L6-V8 PolarHBondContact O-N 3.06Å; L6-V9 PolarHBondContact O-N 3.47Å; L6-A10 PolarHBondContact O-N 3.35Å; L6-A10 VanDerWaalsContact O-N 3.12Å |
| 7 | P | 87.3 | Confident | 84.8 | Confident | 64 Ų | 64 | 111.2 Ų | 111.2 | 42% | 0.416 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.1 | -31.7 | 177.2 | 22.5 | -33.2 | 0 | 0 | 0 | 113.4 | P4 A10 L11 | P4-P7 HydrophobicContact CB-CG 3.98Å; P4-P7 HydrophobicContact CG-CG 3.67Å; P4-P7 WeakPolarHBondContact O-CD 3.49Å; P4-P7 WeakPolarHBondContact O-CG 3.47Å; P7-A10 PolarHBondContact O-N 3.36Å; P7-L11 WeakPolarHBondContact O-CG 3.22Å; P7-L11 PolarHBondContact O-N 3.12Å |
| 8 | V | 90 | Very high | 84.2 | Confident | 67 Ų | 67 | 111.9 Ų | 111.9 | 41% | 0.406 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.5 | -44.2 | 177.5 | -179.7 | 0 | 0 | 0 | 0 | 110.2 | I3 I5 L6 A10 L11 L12 | I3-V8 HydrophobicContact CG2-CG2 3.95Å; I5-V8 WeakPolarHBondContact O-CB 3.32Å; I5-V8 PolarHBondContact O-N 3.4Å; I5-V8 VanDerWaalsContact O-N 3.17Å; L6-V8 VanDerWaalsContact C-N 3.32Å; L6-V8 PolarHBondContact O-N 3.06Å; V8-A10 VanDerWaalsContact C-N 3.34Å; V8-A10 PolarHBondContact O-N 3.5Å; V8-L11 PolarHBondContact O-N 3.37Å; V8-L12 HydrophobicContact CG1-CD1 4.17Å; V8-L12 VanDerWaalsContact O-N 3.08Å; V8-L12 WeakPolarHBondContact O-CG 3.18Å; V8-L12 PolarHBondContact O-N 3.13Å |
| 9 | V | 90.8 | Very high | 83.6 | Confident | 78 Ų | 78 | 110.3 Ų | 110.3 | 47% | 0.473 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63 | -41 | 176.1 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | I5 L6 L11 L12 S13 | I5-V9 HydrophobicContact CG2-CG2 4.14Å; I5-V9 WeakPolarHBondContact O-CG2 3.49Å; I5-V9 PolarHBondContact O-N 3.38Å; I5-V9 VanDerWaalsContact O-N 3.13Å; L6-V9 PolarHBondContact O-N 3.47Å; V9-L11 PolarHBondContact O-N 3.08Å; V9-L12 PolarHBondContact O-N 3.42Å; V9-S13 PolarHBondContact O-N 3.25Å; V9-S13 PolarHBondContact O-OG 3.17Å; V9-S13 VanDerWaalsContact O-OG 3.06Å |
| 10 | A | 90.8 | Very high | 82.8 | Confident | 50 Ų | 50 | 110.9 Ų | 110.9 | 41% | 0.413 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -62.1 | -44.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L6 P7 V8 S13 L14 | L6-A10 PolarHBondContact O-N 3.35Å; L6-A10 VanDerWaalsContact O-N 3.12Å; P7-A10 PolarHBondContact O-N 3.36Å; V8-A10 VanDerWaalsContact C-N 3.34Å; V8-A10 PolarHBondContact O-N 3.5Å; A10-S13 PolarHBondContact O-N 3.44Å; A10-L14 WeakPolarHBondContact O-CG 3.33Å; A10-L14 PolarHBondContact O-N 3.37Å |
| 11 | L | 90.5 | Very high | 82.2 | Confident | 120 Ų | 120 | 111.6 Ų | 111.6 | 63% | 0.628 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -65.3 | -39.9 | 178.5 | -68.8 | 173.5 | 0 | 0 | 0 | 112.2 | P7 V8 V9 L14 L15 | P7-L11 WeakPolarHBondContact O-CG 3.22Å; P7-L11 PolarHBondContact O-N 3.12Å; V8-L11 PolarHBondContact O-N 3.37Å; V9-L11 PolarHBondContact O-N 3.08Å; L11-L14 PolarHBondContact O-N 3.47Å; L11-L15 WeakPolarHBondContact O-CB 3.42Å; L11-L15 PolarHBondContact O-N 3.41Å |
| 12 | L | 89.1 | Confident | 82 | Confident | 108 Ų | 108 | 103 Ų | 103 | 57% | 0.565 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.1 | -40.7 | 176 | -69.5 | 172.6 | 0 | 0 | 0 | 111.9 | V8 V9 L15 A16 | V8-L12 HydrophobicContact CG1-CD1 4.17Å; V8-L12 VanDerWaalsContact O-N 3.08Å; V8-L12 WeakPolarHBondContact O-CG 3.18Å; V8-L12 PolarHBondContact O-N 3.13Å; V9-L12 PolarHBondContact O-N 3.42Å; L12-L15 PolarHBondContact O-N 3Å; L12-A16 WeakPolarHBondContact O-CB 3.4Å; L12-A16 PolarHBondContact O-N 3.42Å |
| 13 | S | 88.5 | Confident | 81.3 | Confident | 72 Ų | 72 | 97.5 Ų | 97.5 | 50% | 0.503 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.2 | -42.5 | 175.2 | -64 | 0 | 0 | 0 | 0 | 112.4 | V9 A10 A16 L17 | V9-S13 PolarHBondContact O-N 3.25Å; V9-S13 PolarHBondContact O-OG 3.17Å; V9-S13 VanDerWaalsContact O-OG 3.06Å; A10-S13 PolarHBondContact O-N 3.44Å; S13-A16 PolarHBondContact O-N 2.95Å; S13-L17 WeakPolarHBondContact O-CB 3.34Å; S13-L17 PolarHBondContact O-N 3.01Å |
| 14 | L | 87.3 | Confident | 80.5 | Confident | 108 Ų | 108 | 96.4 Ų | 96.4 | 57% | 0.565 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.8 | -41.6 | 176.4 | -73 | 171.9 | 0 | 0 | 0 | 111.9 | A10 L11 L17 H18 | A10-L14 WeakPolarHBondContact O-CG 3.33Å; A10-L14 PolarHBondContact O-N 3.37Å; L11-L14 PolarHBondContact O-N 3.47Å; L14-L17 PolarHBondContact O-N 3.31Å; L14-H18 PolarHBondContact O-N 2.9Å; L14-H18 WeakPolarHBondContact O-CB 3.36Å |
| 15 | L | 85.2 | Confident | 79.4 | Confident | 115 Ų | 115 | 99.8 Ų | 99.8 | 60% | 0.602 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.8 | -43.6 | 176.3 | -178.5 | 62.2 | 0 | 0 | 0 | 111.5 | L11 L12 H18 A19 | L11-L15 WeakPolarHBondContact O-CB 3.42Å; L11-L15 PolarHBondContact O-N 3.41Å; L12-L15 PolarHBondContact O-N 3Å; L15-H18 PolarHBondContact O-N 3.4Å; L15-A19 VanDerWaalsContact O-N 3.09Å; L15-A19 PolarHBondContact O-N 3.09Å |
| 16 | A | 85.3 | Confident | 78 | Confident | 60 Ų | 60 | 96.2 Ų | 96.2 | 50% | 0.496 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.6 | -40.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | L12 S13 A19 V20 | L12-A16 WeakPolarHBondContact O-CB 3.4Å; L12-A16 PolarHBondContact O-N 3.42Å; S13-A16 PolarHBondContact O-N 2.95Å; A16-A19 PolarHBondContact O-N 3.42Å; A16-V20 PolarHBondContact O-N 2.96Å |
| 17 | L | 80.8 | Confident | 76.5 | Confident | 104 Ų | 104 | 96.5 Ų | 96.5 | 55% | 0.545 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67 | -36.3 | 177 | -177.6 | 60.4 | 0 | 0 | 0 | 112.3 | S13 L14 V20 Q21 | S13-L17 WeakPolarHBondContact O-CB 3.34Å; S13-L17 PolarHBondContact O-N 3.01Å; L14-L17 PolarHBondContact O-N 3.31Å; L17-V20 PolarHBondContact O-N 2.99Å; L17-Q21 PolarHBondContact O-NE2 3.48Å |
| 18 | H | 74.6 | Confident | 75 | Confident | 125 Ų | 125 | 98 Ų | 98 | 58% | 0.579 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.8 | -38.6 | 175.4 | -177.1 | 59.2 | 0 | 0 | 0 | 112.1 | L14 L15 V20 Q21 | L14-H18 PolarHBondContact O-N 2.9Å; L14-H18 WeakPolarHBondContact O-CB 3.36Å; L15-H18 PolarHBondContact O-N 3.4Å; H18-V20 PolarHBondContact O-N 3.03Å; H18-Q21 PolarHBondContact ND1-OE1 2.97Å; H18-Q21 WeakPolarHBondContact O-CB 3.39Å; H18-Q21 PolarHBondContact O-N 3.32Å |
| 19 | A | 71.7 | Confident | 73.4 | Confident | 81 Ų | 81 | 101.1 Ų | 101.1 | 67% | 0.669 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62.7 | -27.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | L15 A16 Q21 | L15-A19 VanDerWaalsContact O-N 3.09Å; L15-A19 PolarHBondContact O-N 3.09Å; A16-A19 PolarHBondContact O-N 3.42Å; A19-Q21 VanDerWaalsContact C-N 3.29Å |
| 20 | V | 68.9 | Low | 71.9 | Confident | 122 Ų | 122 | 103.3 Ų | 103.3 | 74% | 0.739 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -15.3 | 175.8 | 163.7 | 0 | 0 | 0 | 0 | 112.9 | A16 L17 H18 G22 | A16-V20 PolarHBondContact O-N 2.96Å; L17-V20 PolarHBondContact O-N 2.99Å; H18-V20 PolarHBondContact O-N 3.03Å; V20-G22 PolarHBondContact O-N 3.36Å; V20-G22 VanDerWaalsContact O-N 3.09Å |
| 21 | Q | 70.1 | Confident | 70.3 | Confident | 125 Ų | 125 | 109.9 Ų | 109.9 | 58% | 0.584 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | 15.3 | 178.3 | -62.4 | 162.2 | 12.2 | 0 | 0 | 112.9 | L17 H18 A19 A23 | L17-Q21 PolarHBondContact O-NE2 3.48Å; H18-Q21 PolarHBondContact ND1-OE1 2.97Å; H18-Q21 WeakPolarHBondContact O-CB 3.39Å; H18-Q21 PolarHBondContact O-N 3.32Å; A19-Q21 VanDerWaalsContact C-N 3.29Å; Q21-A23 PolarHBondContact O-N 3.09Å |
| 22 | G | 65.9 | Low | 68.5 | Low | 63 Ų | 63 | 107.9 Ų | 107.9 | 65% | 0.649 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.4 | 106.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V20 | V20-G22 PolarHBondContact O-N 3.36Å; V20-G22 VanDerWaalsContact O-N 3.09Å |
| 23 | A | 63.3 | Low | 67 | Low | 91 Ų | 91 | 109.5 Ų | 109.5 | 75% | 0.752 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.5 | 52.8 | 152.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | Q21 L25 | Q21-A23 PolarHBondContact O-N 3.09Å; A23-L25 VanDerWaalsContact C-N 3.25Å |
| 24 | A | 58.6 | Low | 65.4 | Low | 104 Ų | 104 | 113.1 Ų | 113.1 | 86% | 0.86 | 67% | 0.665 | S | S | * | * | | | trans | -89.4 | 12.2 | 154 | 0 | 0 | 0 | 0 | 0 | 112.8 | G26 | A24-G26 PolarHBondContact O-N 3.04Š|
| 25 | L | 57.8 | Low | 63.9 | Low | 156 Ų | 156 | 112.2 Ų | 112.2 | 82% | 0.817 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -80.1 | 85.6 | 154.4 | -68.2 | 174.3 | 0 | 0 | 0 | 105.4 | A23 H27 | A23-L25 VanDerWaalsContact C-N 3.25Å; L25-H27 PolarHBondContact O-N 3.17Å |
| 26 | G | 55.1 | Low | 62.5 | Low | 62 Ų | 62 | 111 Ų | 111 | 64% | 0.639 | 67% | 0.669 | S | S | * | * | | | trans | -45.5 | 122.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | A24 P28 | A24-G26 PolarHBondContact O-N 3.04Å; G26-P28 WeakPolarHBondContact O-CD 3.21Å |
| 27 | H | 55.2 | Low | 61.1 | Low | 151 Ų | 151 | 119.2 Ų | 119.2 | 70% | 0.699 | 69% | 0.689 | S | S | * | * | | | trans | -48.7 | 122.2 | 165.2 | -103 | 70.8 | 0 | 0 | 0 | 105.2 | L25 T29 | L25-H27 PolarHBondContact O-N 3.17Å; H27-T29 PolarHBondContact O-N 3.15Å |
| 28 | P | 56.4 | Low | 60 | Low | 97 Ų | 97 | 119.5 Ų | 119.5 | 63% | 0.63 | 69% | 0.691 | S | S | * | * | | | trans | -59.1 | 104.1 | 155.9 | -9.6 | 25.1 | 0 | 0 | 0 | 103.4 | G26 I30 | G26-P28 WeakPolarHBondContact O-CD 3.21Å; P28-I30 PolarHBondContact O-N 2.82Å |
| 29 | T | 56.4 | Low | 59.5 | Low | 132 Ų | 132 | 120.7 Ų | 120.7 | 81% | 0.81 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -69.9 | 46.8 | 164.5 | -37.1 | 0 | 0 | 0 | 0 | 108.5 | H27 | H27-T29 PolarHBondContact O-N 3.15Š|
| 30 | I | 59.4 | Low | 58.6 | Low | 124 Ų | 124 | 126 Ų | 126 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | | | trans | -143.5 | 74.7 | 175.8 | -48.3 | -72.9 | 0 | 0 | 0 | 102.5 | P28 P32 | P28-I30 PolarHBondContact O-N 2.82Å; I30-P32 WeakPolarHBondContact O-CD 3.27Å; I30-P32 VanDerWaalsContact O-CD 3.27Å; I30-P32 HydrophobicContact CG2-CB 4.21Å; I30-P32 HydrophobicContact CG2-CG 3.99Å |
| 31 | Y | 55.5 | Low | 57.9 | Low | 187 Ų | 187 | 125.6 Ų | 125.6 | 73% | 0.733 | 71% | 0.705 | S | S | * | * | | | trans | -71.8 | 110.2 | 134.2 | -72.8 | -81.9 | 0 | 0 | 0 | 103.9 | E33 | Y31-E33 WeakPolarHBondContact CB-OE2 3.19Å; Y31-E33 PolarHBondContact O-N 2.99Å |
| 32 | P | 52.5 | Low | 57.4 | Low | 78 Ų | 78 | 125.8 Ų | 125.8 | 51% | 0.506 | 72% | 0.715 | S | S | . | * | | | trans | -83.2 | 80.5 | 155.8 | 30.3 | -14.7 | 0 | 0 | 0 | 104.5 | I30 D34 | I30-P32 WeakPolarHBondContact O-CD 3.27Å; I30-P32 VanDerWaalsContact O-CD 3.27Å; I30-P32 HydrophobicContact CG2-CB 4.21Å; I30-P32 HydrophobicContact CG2-CG 3.99Å; P32-D34 PolarHBondContact O-N 2.92Å |
| 33 | E | 57.7 | Low | 56.9 | Low | 143 Ų | 143 | 126.7 Ų | 126.7 | 67% | 0.668 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -60.2 | 109.7 | 134.1 | 64.4 | -82.5 | -174.7 | 0 | 0 | 104.6 | Y31 | Y31-E33 WeakPolarHBondContact CB-OE2 3.19Å; Y31-E33 PolarHBondContact O-N 2.99Å |
| 34 | D | 56.4 | Low | 56.6 | Low | 148 Ų | 148 | 128 Ų | 128 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 68.7 | 75.7 | 174.1 | -44 | -36.9 | 0 | 0 | 0 | 115.7 | P32 | P32-D34 PolarHBondContact O-N 2.92Š|
| 35 | S | 55.8 | Low | 56.5 | Low | 89 Ų | 89 | 131.6 Ų | 131.6 | 62% | 0.622 | 71% | 0.714 | S | S | * | * | | | | -174.3 | 118.3 | 127.6 | 30.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 36 | S | 55.3 | Low | 56.1 | Low | 88 Ų | 88 | 130.1 Ų | 130.1 | 62% | 0.615 | 71% | 0.711 | S | S | * | * | | | trans | 27.3 | 109.7 | 142 | -169.8 | 0 | 0 | 0 | 0 | 115.7 | N38 | S36-N38 PolarHBondContact O-N 2.88Å; S36-N38 PolarHBondContact O-ND2 3.26Å; S36-N38 PolarHBondContact O-OD1 3.1Å; S36-N38 PolarHBondContact OG-OD1 2.78Å |
| 37 | Y | 55.7 | Low | 56 | Low | 233 Ų | 233 | 137 Ų | 137 | 91% | 0.914 | 72% | 0.724 | S | S | * | * | | | trans | -38.5 | 75.3 | 160.2 | -153.2 | -92.7 | 0 | 0 | 0 | 112.4 | N39 | Y37-N39 PolarHBondContact O-N 2.99Š|
| 38 | N | 56.8 | Low | 56 | Low | 110 Ų | 110 | 132.4 Ų | 132.4 | 59% | 0.588 | 72% | 0.717 | S | S | * | * | | | trans | -87.9 | 97.6 | -178.2 | -74.4 | -25.3 | 0 | 0 | 0 | 107.6 | S36 Y40 | S36-N38 PolarHBondContact O-N 2.88Å; S36-N38 PolarHBondContact O-ND2 3.26Å; S36-N38 PolarHBondContact O-OD1 3.1Å; S36-N38 PolarHBondContact OG-OD1 2.78Å; N38-Y40 WeakPolarHBondContact O-CD2 3.42Å; N38-Y40 PolarHBondContact O-N 2.85Å |
| 39 | N | 65.6 | Low | 56 | Low | 151 Ų | 151 | 136.1 Ų | 136.1 | 81% | 0.807 | 73% | 0.73 | S | S | * | * | | | trans | -57.3 | 94.5 | 166.2 | -176.9 | 17.5 | 0 | 0 | 0 | 109.4 | Y37 P41 | Y37-N39 PolarHBondContact O-N 2.99Å; N39-P41 WeakPolarHBondContact O-CD 3.44Å |
| 40 | Y | 52.7 | Low | 55.9 | Low | 193 Ų | 193 | 141.2 Ų | 141.2 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | | | trans | -73.8 | 130.3 | 178 | -89.9 | -88.5 | 0 | 0 | 0 | 111.3 | N38 | N38-Y40 WeakPolarHBondContact O-CD2 3.42Å; N38-Y40 PolarHBondContact O-N 2.85Å |
| 41 | P | 53.1 | Low | 55.8 | Low | 113 Ų | 113 | 140.7 Ų | 140.7 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | | | trans | -84.9 | 121.1 | 139.3 | 30.2 | -20.7 | 0 | 0 | 0 | 108.1 | N39 A43 | N39-P41 WeakPolarHBondContact O-CD 3.44Å; P41-A43 VanDerWaalsContact C-N 3.33Å; P41-A43 PolarHBondContact O-N 3.18Å |
| 42 | T | 60.4 | Low | 55.6 | Low | 128 Ų | 128 | 136.2 Ų | 136.2 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | | | trans | -63.9 | 90.4 | 175.8 | -48.9 | 0 | 0 | 0 | 0 | 109.7 | T44 | T42-T44 PolarHBondContact O-N 3.48Å; T42-T44 VanDerWaalsContact O-N 3.1Å |
| 43 | A | 56.2 | Low | 55.9 | Low | 82 Ų | 82 | 137.1 Ų | 137.1 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | | | trans | -74.7 | 98.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | P41 E45 | P41-A43 VanDerWaalsContact C-N 3.33Å; P41-A43 PolarHBondContact O-N 3.18Å; A43-E45 VanDerWaalsContact C-N 3.32Å; A43-E45 PolarHBondContact O-N 3.18Å |
| 44 | T | 56.5 | Low | 55.6 | Low | 118 Ų | 118 | 136 Ų | 136 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | | | trans | -58.2 | 98.5 | 162.6 | -56.1 | 0 | 0 | 0 | 0 | 107.9 | T42 V46 | T42-T44 PolarHBondContact O-N 3.48Å; T42-T44 VanDerWaalsContact O-N 3.1Å; T44-V46 VanDerWaalsContact C-N 3.28Å; T44-V46 HydrophobicContact CG2-CG2 3.95Å; T44-V46 PolarHBondContact O-N 2.64Å |
| 45 | E | 56.9 | Low | 55.4 | Low | 181 Ų | 181 | 136.3 Ų | 136.3 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | | | trans | -68.8 | 83.9 | 174.2 | -52.5 | -174.6 | 160.7 | 0 | 0 | 109.4 | A43 K47 | A43-E45 VanDerWaalsContact C-N 3.32Å; A43-E45 PolarHBondContact O-N 3.18Å; E45-K47 PolarHBondContact O-N 3.47Å |
| 46 | V | 48 | Very low | 55.3 | Low | 124 Ų | 124 | 136.7 Ų | 136.7 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | | | trans | -78.5 | 88.2 | 164.3 | -174.7 | 0 | 0 | 0 | 0 | 108.1 | T44 G48 | T44-V46 VanDerWaalsContact C-N 3.28Å; T44-V46 HydrophobicContact CG2-CG2 3.95Å; T44-V46 PolarHBondContact O-N 2.64Å; V46-G48 PolarHBondContact O-N 3.21Å; V46-G48 VanDerWaalsContact O-N 3.15Å |
| 47 | K | 52.8 | Low | 54.9 | Low | 208 Ų | 208 | 144.9 Ų | 144.9 | 90% | 0.904 | 80% | 0.796 | S | S | * | * | | | trans | -53.1 | 103 | 160.3 | -179.2 | -176.1 | -173.7 | -170.8 | 0 | 110.3 | E45 | E45-K47 PolarHBondContact O-N 3.47Š|
| 48 | G | 56.5 | Low | 54.9 | Low | 54 Ų | 54 | 140.5 Ų | 140.5 | 56% | 0.557 | 79% | 0.79 | S | S | * | * | | | trans | 159.8 | 107 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V46 | V46-G48 PolarHBondContact O-N 3.21Å; V46-G48 VanDerWaalsContact O-N 3.15Å |
| 49 | L | 55.7 | Low | 54.8 | Low | 174 Ų | 174 | 142.1 Ų | 142.1 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | | | trans | 143.2 | 58.4 | 161.6 | -76.8 | 152 | 0 | 0 | 0 | 107.3 | | |
| 50 | R | 55.3 | Low | 54.2 | Low | 240 Ų | 240 | 141.6 Ų | 141.6 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | | | | 38.4 | 104.4 | 99.4 | -96.3 | -172.8 | 175.2 | -161.4 | -1.5 | 113.9 | | |
| 51 | S | 56.3 | Low | 54.2 | Low | 113 Ų | 113 | 138.6 Ų | 138.6 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | | | trans | 60.4 | 103.8 | 133.7 | 51.6 | 0 | 0 | 0 | 0 | 119.1 | | |
| 52 | A | 52 | Low | 54.3 | Low | 92 Ų | 92 | 140.2 Ų | 140.2 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | | | | -164.5 | 102.5 | 123.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 53 | A | 57.3 | Low | 53.9 | Low | 98 Ų | 98 | 141 Ų | 141 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | | | trans | -66.2 | 143.4 | 152.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 54 | P | 53.2 | Low | 53.8 | Low | 119 Ų | 119 | 145.2 Ų | 145.2 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | | | | -124.6 | 112.6 | 125 | 33.1 | -24.8 | 0 | 0 | 0 | 107.4 | | |
| 55 | D | 52.2 | Low | 53.5 | Low | 155 Ų | 155 | 147.3 Ų | 147.3 | 83% | 0.829 | 83% | 0.825 | S | S | * | * | | | | 80.7 | 136.3 | 85.5 | -151.4 | 13.8 | 0 | 0 | 0 | 111.9 | | |
| 56 | S | 52.9 | Low | 53.3 | Low | 96 Ų | 96 | 144.5 Ų | 144.5 | 67% | 0.671 | 82% | 0.824 | S | S | * | * | | | trans | -48.3 | 139.5 | -169.5 | -173.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 57 | Q | 46.9 | Very low | 53.7 | Low | 261 Ų | 261 | 146.4 Ų | 146.4 | 100% | 1.22 | 83% | 0.83 | S | S | * | * | | | | -169.6 | 0 | 117.4 | -82.6 | -112.4 | -41.4 | 0 | 0 | 109.7 | | |