| 1 | M | 71.2 | Confident | 74.5 | Confident | 204 Ų | 204 | 141.6 Ų | 141.6 | 100% | 1.005 | 66% | 0.659 | S | S | * | * | | | | 0 | -46.9 | 0 | -76 | -70.1 | 175.4 | 0 | 0 | 112.9 | L3 | M1-L3 PolarHBondContact O-N 3.36Š|
| 2 | L | 78.2 | Confident | 73.3 | Confident | 135 Ų | 135 | 132.7 Ų | 132.7 | 71% | 0.707 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -60 | -39.6 | -174.9 | -162.9 | 74.5 | 0 | 0 | 0 | 115.5 | R4 W5 I6 | L2-R4 VanDerWaalsContact C-N 3.33Å; L2-R4 PolarHBondContact O-N 3.32Å; L2-W5 WeakPolarHBondContact O-CB 3.47Å; L2-W5 PolarHBondContact O-N 3.34Å; L2-W5 VanDerWaalsContact O-N 3.09Å; L2-I6 HydrophobicContact CD2-CD1 4.5Å; L2-I6 HydrophobicContact CG-CD1 4.3Å; L2-I6 PolarHBondContact O-N 3.39Å |
| 3 | L | 78.6 | Confident | 72 | Confident | 127 Ų | 127 | 131.4 Ų | 131.4 | 67% | 0.665 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.1 | -36 | -175.2 | -164 | 70.4 | 0 | 0 | 0 | 113.2 | M1 W5 I6 I7 | M1-L3 PolarHBondContact O-N 3.36Å; L3-W5 VanDerWaalsContact C-N 3.27Å; L3-W5 PolarHBondContact O-N 3.12Å; L3-I6 PolarHBondContact O-N 2.69Å; L3-I7 HydrophobicContact CG-CD1 4.45Å; L3-I7 WeakPolarHBondContact O-CG1 3.32Å; L3-I7 PolarHBondContact O-N 3.4Å |
| 4 | R | 78.9 | Confident | 70.7 | Confident | 205 Ų | 205 | 128.2 Ų | 128.2 | 77% | 0.774 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.7 | -32.5 | 176.8 | -65.4 | 179.5 | 96.5 | 175.9 | 6.5 | 111.8 | L2 R8 | L2-R4 VanDerWaalsContact C-N 3.33Å; L2-R4 PolarHBondContact O-N 3.32Å; R4-R8 WeakPolarHBondContact O-CB 3.06Å; R4-R8 PolarHBondContact O-N 2.94Å |
| 5 | W | 77.2 | Confident | 69.4 | Low | 185 Ų | 185 | 129.8 Ų | 129.8 | 70% | 0.701 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -70.3 | -41.8 | 176.6 | -95.5 | 85.2 | 0 | 0 | 0 | 112.2 | L2 L3 R8 L9 | L2-W5 WeakPolarHBondContact O-CB 3.47Å; L2-W5 PolarHBondContact O-N 3.34Å; L2-W5 VanDerWaalsContact O-N 3.09Å; L3-W5 VanDerWaalsContact C-N 3.27Å; L3-W5 PolarHBondContact O-N 3.12Å; W5-R8 PolarHBondContact O-N 3.2Å; W5-L9 HydrophobicContact CE3-CD1 4.35Å; W5-L9 PolarHBondContact O-N 3.4Å |
| 6 | I | 78.7 | Confident | 68.1 | Low | 93 Ų | 93 | 126.1 Ų | 126.1 | 48% | 0.477 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -62.2 | -45.8 | 178.2 | -64.1 | 167.6 | 0 | 0 | 0 | 110.6 | L2 L3 R8 L9 H10 | L2-I6 HydrophobicContact CD2-CD1 4.5Å; L2-I6 HydrophobicContact CG-CD1 4.3Å; L2-I6 PolarHBondContact O-N 3.39Å; L3-I6 PolarHBondContact O-N 2.69Å; I6-R8 VanDerWaalsContact C-N 3.35Å; I6-R8 PolarHBondContact O-N 3.11Å; I6-L9 PolarHBondContact O-N 3.45Å; I6-H10 PolarHBondContact O-N 2.94Å |
| 7 | I | 75.7 | Confident | 66.9 | Low | 100 Ų | 100 | 123.2 Ų | 123.2 | 51% | 0.513 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -61.9 | -43.8 | 177.8 | -63.6 | 166.4 | 0 | 0 | 0 | 110.6 | L3 L9 H10 S11 | L3-I7 HydrophobicContact CG-CD1 4.45Å; L3-I7 WeakPolarHBondContact O-CG1 3.32Å; L3-I7 PolarHBondContact O-N 3.4Å; I7-L9 VanDerWaalsContact C-N 3.35Å; I7-L9 PolarHBondContact O-N 2.77Å; I7-H10 PolarHBondContact O-N 3.24Å; I7-S11 PolarHBondContact O-N 3.15Å; I7-S11 PolarHBondContact O-OG 3.33Å |
| 8 | R | 74.6 | Confident | 65.7 | Low | 203 Ų | 203 | 123.8 Ų | 123.8 | 77% | 0.766 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65 | -37 | 179.9 | -163.5 | 171.4 | -178.3 | 93.2 | -2.6 | 112.6 | R4 W5 I6 G12 | R4-R8 WeakPolarHBondContact O-CB 3.06Å; R4-R8 PolarHBondContact O-N 2.94Å; W5-R8 PolarHBondContact O-N 3.2Å; I6-R8 VanDerWaalsContact C-N 3.35Å; I6-R8 PolarHBondContact O-N 3.11Å; R8-G12 PolarHBondContact O-N 3.45Å; R8-G12 VanDerWaalsContact O-N 3.1Å |
| 9 | L | 73.6 | Confident | 64.7 | Low | 106 Ų | 106 | 121.8 Ų | 121.8 | 56% | 0.555 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.2 | -44.6 | 172.2 | -103.7 | 139.6 | 0 | 0 | 0 | 111.6 | W5 I6 I7 G12 M13 | W5-L9 HydrophobicContact CE3-CD1 4.35Å; W5-L9 PolarHBondContact O-N 3.4Å; I6-L9 PolarHBondContact O-N 3.45Å; I7-L9 VanDerWaalsContact C-N 3.35Å; I7-L9 PolarHBondContact O-N 2.77Å; L9-G12 PolarHBondContact O-N 3.18Å; L9-M13 WeakPolarHBondContact O-CG 3.22Å; L9-M13 PolarHBondContact O-N 3.44Å |
| 10 | H | 70 | Confident | 63.9 | Low | 130 Ų | 130 | 125.1 Ų | 125.1 | 60% | 0.602 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.5 | -43.7 | 179.8 | -140.1 | -104.7 | 0 | 0 | 0 | 111.9 | I6 I7 G12 M13 V14 | I6-H10 PolarHBondContact O-N 2.94Å; I7-H10 PolarHBondContact O-N 3.24Å; H10-G12 PolarHBondContact O-N 3.3Å; H10-M13 PolarHBondContact O-N 3.18Å; H10-V14 PolarHBondContact O-N 3.09Å |
| 11 | S | 63.3 | Low | 63.2 | Low | 70 Ų | 70 | 128.4 Ų | 128.4 | 49% | 0.49 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.1 | -38.5 | 177.1 | -58.6 | 0 | 0 | 0 | 0 | 112.9 | I7 M13 V14 | I7-S11 PolarHBondContact O-N 3.15Å; I7-S11 PolarHBondContact O-OG 3.33Å; S11-M13 VanDerWaalsContact C-N 3.31Å; S11-M13 PolarHBondContact O-N 3.01Å; S11-V14 PolarHBondContact O-N 3.22Å |
| 12 | G | 59.5 | Low | 62.1 | Low | 34 Ų | 34 | 123.2 Ų | 123.2 | 35% | 0.351 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.1 | -28.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | R8 L9 H10 S16 | R8-G12 PolarHBondContact O-N 3.45Å; R8-G12 VanDerWaalsContact O-N 3.1Å; L9-G12 PolarHBondContact O-N 3.18Å; H10-G12 PolarHBondContact O-N 3.3Å; G12-S16 PolarHBondContact O-N 3.12Å; G12-S16 PolarHBondContact O-OG 3.22Å |
| 13 | M | 56.4 | Low | 60.7 | Low | 116 Ų | 116 | 125.6 Ų | 125.6 | 57% | 0.571 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -76.5 | -29.1 | 177.6 | -68.8 | -145.4 | -59.4 | 0 | 0 | 113.3 | L9 H10 S11 S16 S17 | L9-M13 WeakPolarHBondContact O-CG 3.22Å; L9-M13 PolarHBondContact O-N 3.44Å; H10-M13 PolarHBondContact O-N 3.18Å; S11-M13 VanDerWaalsContact C-N 3.31Å; S11-M13 PolarHBondContact O-N 3.01Å; M13-S16 PolarHBondContact O-N 3.43Å; M13-S17 PolarHBondContact O-N 2.98Å; M13-S17 PolarHBondContact O-OG 3.1Å |
| 14 | V | 53.9 | Low | 59.3 | Low | 87 Ų | 87 | 130.7 Ų | 130.7 | 53% | 0.527 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -68.7 | -39.3 | 177.3 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | H10 S11 S16 S17 H18 | H10-V14 PolarHBondContact O-N 3.09Å; S11-V14 PolarHBondContact O-N 3.22Å; V14-S16 VanDerWaalsContact C-N 3.35Å; V14-S16 PolarHBondContact O-N 3.47Å; V14-S17 PolarHBondContact O-N 3.36Å; V14-H18 PolarHBondContact O-N 3.43Å |
| 15 | Q | 51.3 | Low | 57.9 | Low | 152 Ų | 152 | 128 Ų | 128 | 71% | 0.71 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.5 | -36.5 | 173.8 | -76.4 | 179 | -42.4 | 0 | 0 | 112.6 | S17 C19 | Q15-S17 VanDerWaalsContact C-N 3.27Å; Q15-S17 PolarHBondContact O-N 3.43Å; Q15-C19 PolarHBondContact O-N 3.47Å |
| 16 | S | 48.5 | Very low | 56 | Low | 70 Ų | 70 | 123.1 Ų | 123.1 | 49% | 0.49 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68.2 | -25.6 | 178.4 | -66.7 | 0 | 0 | 0 | 0 | 113.7 | G12 M13 V14 R20 | G12-S16 PolarHBondContact O-N 3.12Å; G12-S16 PolarHBondContact O-OG 3.22Å; M13-S16 PolarHBondContact O-N 3.43Å; V14-S16 VanDerWaalsContact C-N 3.35Å; V14-S16 PolarHBondContact O-N 3.47Å; S16-R20 PolarHBondContact O-N 3.46Å |
| 17 | S | 48 | Very low | 54.3 | Low | 78 Ų | 78 | 124.3 Ų | 124.3 | 55% | 0.545 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -79.2 | -35.9 | -178.7 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | M13 V14 Q15 | M13-S17 PolarHBondContact O-N 2.98Å; M13-S17 PolarHBondContact O-OG 3.1Å; V14-S17 PolarHBondContact O-N 3.36Å; Q15-S17 VanDerWaalsContact C-N 3.27Å; Q15-S17 PolarHBondContact O-N 3.43Å |
| 18 | H | 45.3 | Very low | 52.9 | Low | 133 Ų | 133 | 125 Ų | 125 | 62% | 0.616 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -70.8 | -37.8 | 174.6 | -93.6 | -92.6 | 0 | 0 | 0 | 112.5 | V14 R20 R21 | V14-H18 PolarHBondContact O-N 3.43Å; H18-R20 VanDerWaalsContact C-N 3.34Å; H18-R20 PolarHBondContact O-N 3.29Å; H18-R21 PolarHBondContact O-N 3.25Å |
| 19 | C | 45.9 | Very low | 51.8 | Low | 86 Ų | 86 | 123.9 Ų | 123.9 | 58% | 0.581 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.1 | -28.5 | 175.9 | -79.4 | 0 | 0 | 0 | 0 | 113.9 | Q15 R21 R23 | Q15-C19 PolarHBondContact O-N 3.47Å; C19-R21 VanDerWaalsContact C-N 3.34Å; C19-R23 PolarHBondContact O-N 3.33Å |
| 20 | R | 49.5 | Very low | 50.4 | Low | 187 Ų | 187 | 123.7 Ų | 123.7 | 71% | 0.706 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.1 | -25.4 | 176 | -80.6 | -171.4 | -161.5 | -178.6 | 7.9 | 113.9 | S16 H18 V22 | S16-R20 PolarHBondContact O-N 3.46Å; H18-R20 VanDerWaalsContact C-N 3.34Å; H18-R20 PolarHBondContact O-N 3.29Å; R20-V22 VanDerWaalsContact C-N 3.35Å |
| 21 | R | 49.9 | Very low | 49 | Very low | 195 Ų | 195 | 122 Ų | 122 | 74% | 0.736 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -74.8 | -29.3 | 179.6 | -155.2 | 176.3 | -87.3 | 168.3 | -6.9 | 111.3 | H18 C19 | H18-R21 PolarHBondContact O-N 3.25Å; C19-R21 VanDerWaalsContact C-N 3.34Å |
| 22 | V | 47.3 | Very low | 48 | Very low | 95 Ų | 95 | 129.5 Ų | 129.5 | 58% | 0.576 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -79.9 | -30.5 | 174.5 | -171.5 | 0 | 0 | 0 | 0 | 112.1 | R20 R24 L25 | R20-V22 VanDerWaalsContact C-N 3.35Å; V22-R24 VanDerWaalsContact C-N 3.25Å; V22-R24 PolarHBondContact O-N 3.36Å; V22-L25 PolarHBondContact O-N 3.48Å; V22-L25 VanDerWaalsContact O-N 3.16Å |
| 23 | R | 49.5 | Very low | 47.2 | Very low | 186 Ų | 186 | 136.9 Ų | 136.9 | 70% | 0.702 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -12.4 | 177.5 | -88 | -173.1 | 163.8 | 172 | -3.4 | 115.8 | C19 L25 | C19-R23 PolarHBondContact O-N 3.33Å; R23-L25 VanDerWaalsContact C-N 3.31Å |
| 24 | R | 47.5 | Very low | 46.5 | Very low | 234 Ų | 234 | 135.1 Ų | 135.1 | 88% | 0.883 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -8.1 | 172.9 | -66.8 | -165.5 | -166.8 | 178.5 | 3.7 | 113.6 | V22 | V22-R24 VanDerWaalsContact C-N 3.25Å; V22-R24 PolarHBondContact O-N 3.36Å |
| 25 | L | 49.7 | Very low | 46 | Very low | 147 Ų | 147 | 135.9 Ų | 135.9 | 77% | 0.77 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | -8.6 | -179.7 | -75 | 160.2 | 0 | 0 | 0 | 113.3 | V22 R23 P27 | V22-L25 PolarHBondContact O-N 3.48Å; V22-L25 VanDerWaalsContact O-N 3.16Å; R23-L25 VanDerWaalsContact C-N 3.31Å; L25-P27 VanDerWaalsContact O-CD 3.25Å; L25-P27 WeakPolarHBondContact O-CD 3.22Å |
| 26 | C | 37 | Very low | 45.5 | Very low | 84 Ų | 84 | 139.5 Ų | 139.5 | 57% | 0.568 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -89.3 | 111.1 | 173.7 | -68.5 | 0 | 0 | 0 | 0 | 109.4 | T28 | C26-T28 PolarHBondContact O-N 2.96Å; C26-T28 VanDerWaalsContact O-N 3.13Å |
| 27 | P | 43.8 | Very low | 45.3 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | | | trans | -59 | 120.9 | 166.8 | 24.6 | -30.9 | 0 | 0 | 0 | 107.8 | L25 Q29 | L25-P27 VanDerWaalsContact O-CD 3.25Å; L25-P27 WeakPolarHBondContact O-CD 3.22Å; P27-Q29 PolarHBondContact O-N 3.38Å |
| 28 | T | 47.3 | Very low | 45.1 | Very low | 115 Ų | 115 | 147.3 Ų | 147.3 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | | | trans | -51.1 | 114.7 | 171.9 | 29.2 | 0 | 0 | 0 | 0 | 108.9 | C26 A30 | C26-T28 PolarHBondContact O-N 2.96Å; C26-T28 VanDerWaalsContact O-N 3.13Å; T28-A30 PolarHBondContact O-N 3.4Å |
| 29 | Q | 50.6 | Low | 45.1 | Very low | 178 Ų | 178 | 150 Ų | 150 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | 6.5 | -177.8 | -152.7 | -179.3 | -13.7 | 0 | 0 | 113.8 | P27 | P27-Q29 PolarHBondContact O-N 3.38Š|
| 30 | A | 44.2 | Very low | 45.1 | Very low | 103 Ų | 103 | 150.3 Ų | 150.3 | 85% | 0.851 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | 6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | T28 | T28-A30 PolarHBondContact O-N 3.4Š|
| 31 | S | 41.5 | Very low | 45.1 | Very low | 94 Ų | 94 | 150 Ų | 150 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | | | trans | -116.6 | 18.6 | 172.3 | 82 | 0 | 0 | 0 | 0 | 113.8 | Q33 | S31-Q33 PolarHBondContact O-N 3.23Š|
| 32 | R | 40.9 | Very low | 45.2 | Very low | 227 Ų | 227 | 146.5 Ų | 146.5 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | | | trans | -86.9 | 23.9 | -179.3 | -97.8 | -171.1 | 171.8 | -175.3 | -1.6 | 114.5 | | |
| 33 | Q | 43.2 | Very low | 45.3 | Very low | 190 Ų | 190 | 153 Ų | 153 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -125.5 | 104.5 | 169.4 | -70.6 | -176.7 | -9.9 | 0 | 0 | 108.3 | S31 | S31-Q33 PolarHBondContact O-N 3.23Š|
| 34 | G | 41.1 | Very low | 45.2 | Very low | 79 Ų | 79 | 150.7 Ų | 150.7 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 109.8 | 15.6 | 153.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 35 | V | 43.7 | Very low | 45.1 | Very low | 102 Ų | 102 | 143.9 Ų | 143.9 | 62% | 0.618 | 78% | 0.778 | S | S | * | * | | | trans | -141.2 | 121.1 | 175.5 | -150.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 36 | W | 41.9 | Very low | 44.8 | Very low | 229 Ų | 229 | 145.1 Ų | 145.1 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | | | trans | 77.6 | 92 | 175.6 | -38 | 102.3 | 0 | 0 | 0 | 114.1 | | |
| 37 | E | 43.3 | Very low | 45.1 | Very low | 147 Ų | 147 | 149 Ų | 149 | 69% | 0.687 | 79% | 0.794 | S | S | * | * | | | | 50.5 | 115.8 | 57.6 | -138.5 | -170.4 | 135 | 0 | 0 | 112 | | |
| 38 | K | 43.2 | Very low | 45.1 | Very low | 164 Ų | 164 | 146.5 Ų | 146.5 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | | | trans | 86.9 | 110.6 | 165.2 | -61.3 | 168.9 | -173.1 | 168.6 | 0 | 117.5 | | |
| 39 | H | 47 | Very low | 45.1 | Very low | 190 Ų | 190 | 147.9 Ų | 147.9 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | | | trans | 70.8 | 118.1 | 155.5 | -62.8 | -136 | 0 | 0 | 0 | 114.3 | | |
| 40 | A | 45.9 | Very low | 44.7 | Very low | 93 Ų | 93 | 143.9 Ų | 143.9 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | cis | -159.3 | 139.8 | 31.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 41 | Q | 49.7 | Very low | 44.6 | Very low | 180 Ų | 180 | 146.5 Ų | 146.5 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | | | trans | -62.6 | 134.2 | 164 | -82 | -175.7 | -12.5 | 0 | 0 | 109.1 | R43 | Q41-R43 PolarHBondContact O-N 2.97Å; Q41-R43 VanDerWaalsContact O-N 3.17Å |
| 42 | P | 50.5 | Low | 44.6 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | | | trans | -73.4 | 107.3 | 164.4 | 29.7 | -27.8 | 0 | 0 | 0 | 107.4 | V44 | P42-V44 PolarHBondContact O-N 3.49Š|
| 43 | R | 50.2 | Low | 45 | Very low | 233 Ų | 233 | 141.5 Ų | 141.5 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | | | trans | -64.6 | 115.6 | 160.7 | -79.1 | -170.9 | 174.1 | 134.4 | -1.3 | 106.7 | Q41 A45 | Q41-R43 PolarHBondContact O-N 2.97Å; Q41-R43 VanDerWaalsContact O-N 3.17Å; R43-A45 VanDerWaalsContact C-N 3.29Å; R43-A45 PolarHBondContact O-N 3.2Å |
| 44 | V | 48 | Very low | 44.9 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | | | trans | -66.1 | 96.7 | 164.5 | -177.7 | 0 | 0 | 0 | 0 | 105.6 | P42 | P42-V44 PolarHBondContact O-N 3.49Š|
| 45 | A | 44.2 | Very low | 45.3 | Very low | 91 Ų | 91 | 143.8 Ų | 143.8 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | | | trans | -93.4 | 117.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | R43 | R43-A45 VanDerWaalsContact C-N 3.29Å; R43-A45 PolarHBondContact O-N 3.2Å |
| 46 | E | 43.8 | Very low | 45.2 | Very low | 172 Ų | 172 | 147.5 Ų | 147.5 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -65.1 | 166.4 | 164.8 | -52.4 | -152.5 | 118.8 | 0 | 0 | 109.5 | | |
| 47 | D | 43.9 | Very low | 45.6 | Very low | 165 Ų | 165 | 147 Ų | 147 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | | | trans | 86.2 | 106.2 | 179.5 | -72.1 | -71.3 | 0 | 0 | 0 | 118.3 | | |
| 48 | G | 44 | Very low | 45.8 | Very low | 66 Ų | 66 | 148.3 Ų | 148.3 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | | | | 84.8 | 104.4 | 113.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 49 | V | 46.4 | Very low | 45.9 | Very low | 145 Ų | 145 | 145.7 Ų | 145.7 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | | | trans | 81.6 | 113.9 | 134.2 | 179.5 | 0 | 0 | 0 | 0 | 119.9 | | |
| 50 | S | 41.3 | Very low | 45.6 | Very low | 93 Ų | 93 | 141.8 Ų | 141.8 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | | | trans | 84 | 133.7 | 139.7 | -115.8 | 0 | 0 | 0 | 0 | 123.9 | | |
| 51 | D | 42.7 | Very low | 46.1 | Very low | 158 Ų | 158 | 145.1 Ų | 145.1 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | | | trans | 76.1 | 106.2 | 145.7 | -77.2 | -65.4 | 0 | 0 | 0 | 118.6 | | |
| 52 | G | 42.5 | Very low | 46.1 | Very low | 72 Ų | 72 | 141.3 Ų | 141.3 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | | | trans | 169.6 | 56.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 53 | N | 49.2 | Very low | 45.8 | Very low | 145 Ų | 145 | 140.3 Ų | 140.3 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | | | trans | 60.7 | 106.6 | 142.2 | -152.3 | -22.8 | 0 | 0 | 0 | 119 | | |
| 54 | L | 41.1 | Very low | 45.8 | Very low | 151 Ų | 151 | 136 Ų | 136 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | | | trans | -6.9 | 129.8 | 148.5 | -92.9 | 64.8 | 0 | 0 | 0 | 116.5 | | |
| 55 | Q | 48.3 | Very low | 45.8 | Very low | 166 Ų | 166 | 137.2 Ų | 137.2 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | | -167.2 | 99.6 | 119 | -103.3 | 160.6 | 88.3 | 0 | 0 | 112.8 | Y57 | Q55-Y57 VanDerWaalsContact O-CD2 3.32Å; Q55-Y57 WeakPolarHBondContact O-CD2 3.38Å; Q55-Y57 PolarHBondContact O-N 3.14Å; Q55-Y57 VanDerWaalsContact O-N 3.15Å |
| 56 | H | 42.3 | Very low | 46.1 | Very low | 180 Ų | 180 | 138.8 Ų | 138.8 | 83% | 0.833 | 78% | 0.78 | S | S | * | * | | | trans | -14 | 95.4 | 151 | -141.1 | -179.8 | 0 | 0 | 0 | 115.5 | K58 | H56-K58 PolarHBondContact O-N 3.13Š|
| 57 | Y | 50.6 | Low | 46.4 | Very low | 218 Ų | 218 | 135 Ų | 135 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | | | trans | -89.7 | 98.8 | 164 | -82.3 | -87.4 | 0 | 0 | 0 | 109.5 | Q55 S59 | Q55-Y57 VanDerWaalsContact O-CD2 3.32Å; Q55-Y57 WeakPolarHBondContact O-CD2 3.38Å; Q55-Y57 PolarHBondContact O-N 3.14Å; Q55-Y57 VanDerWaalsContact O-N 3.15Å; Y57-S59 PolarHBondContact O-N 3.48Å |
| 58 | K | 46.3 | Very low | 47 | Very low | 175 Ų | 175 | 132.8 Ų | 132.8 | 76% | 0.761 | 76% | 0.759 | S | S | * | * | | | trans | -67.7 | 115.5 | 163.5 | -92.4 | -178.1 | 172 | 179.1 | 0 | 108.8 | H56 C60 | H56-K58 PolarHBondContact O-N 3.13Å; K58-C60 PolarHBondContact O-N 3.4Å |
| 59 | S | 46.8 | Very low | 47.3 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | | | trans | -58 | 124.1 | 165.3 | -52.9 | 0 | 0 | 0 | 0 | 109.9 | Y57 | Y57-S59 PolarHBondContact O-N 3.48Š|
| 60 | C | 40.6 | Very low | 47.5 | Very low | 108 Ų | 108 | 132 Ų | 132 | 73% | 0.73 | 74% | 0.739 | S | S | * | * | | | trans | -109 | 95.4 | 171.1 | -94.2 | 0 | 0 | 0 | 0 | 109.3 | K58 S62 | K58-C60 PolarHBondContact O-N 3.4Å; C60-S62 PolarHBondContact O-N 3.25Å |
| 61 | D | 56.5 | Low | 48 | Very low | 163 Ų | 163 | 129.4 Ų | 129.4 | 87% | 0.872 | 72% | 0.723 | S | S | * | * | | | trans | -67.4 | 18.9 | 176.4 | -78.2 | -57.1 | 0 | 0 | 0 | 115.5 | | |
| 62 | S | 48.6 | Very low | 48.5 | Very low | 100 Ų | 100 | 130.5 Ų | 130.5 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | | | trans | -109.8 | 12.5 | -165.6 | -176.9 | 0 | 0 | 0 | 0 | 115.6 | C60 N64 | C60-S62 PolarHBondContact O-N 3.25Å; S62-N64 VanDerWaalsContact C-N 3.33Å; S62-N64 PolarHBondContact O-N 3.2Å; S62-N64 VanDerWaalsContact O-N 3.15Å |
| 63 | C | 45.5 | Very low | 48.9 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 67% | 0.669 | 71% | 0.708 | S | S | * | * | | | trans | -91.6 | 62.6 | -177.2 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | D65 | C63-D65 PolarHBondContact O-N 3.3Š|
| 64 | N | 49.1 | Very low | 49.1 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 77% | 0.77 | 70% | 0.702 | S | S | * | * | | | trans | -61 | 131.1 | 170.7 | -80.5 | -50 | 0 | 0 | 0 | 111 | S62 V66 | S62-N64 VanDerWaalsContact C-N 3.33Å; S62-N64 PolarHBondContact O-N 3.2Å; S62-N64 VanDerWaalsContact O-N 3.15Å; N64-V66 PolarHBondContact O-N 3.4Å |
| 65 | D | 47.5 | Very low | 49.8 | Very low | 162 Ų | 162 | 134 Ų | 134 | 87% | 0.866 | 69% | 0.693 | S | S | * | * | | | trans | -37.2 | 113.9 | 170 | -85.1 | -88.3 | 0 | 0 | 0 | 113.6 | C63 | C63-D65 PolarHBondContact O-N 3.3Š|
| 66 | V | 51.3 | Low | 50 | Low | 123 Ų | 123 | 131.1 Ų | 131.1 | 75% | 0.745 | 68% | 0.683 | S | S | * | * | | | trans | -110.9 | 113.3 | 162.7 | 178.7 | 0 | 0 | 0 | 0 | 107.1 | N64 D68 | N64-V66 PolarHBondContact O-N 3.4Å; V66-D68 PolarHBondContact O-N 3.35Å |
| 67 | P | 50.9 | Low | 50.6 | Low | 93 Ų | 93 | 127.1 Ų | 127.1 | 60% | 0.604 | 67% | 0.667 | S | S | * | * | | | trans | -62.1 | 133.8 | -178.9 | 20.9 | -29.8 | 0 | 0 | 0 | 111.8 | D69 S70 | P67-D69 PolarHBondContact O-N 3.37Å; P67-S70 PolarHBondContact O-N 3.44Å |
| 68 | D | 55.4 | Low | 50.6 | Low | 118 Ų | 118 | 124 Ų | 124 | 63% | 0.631 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -23.9 | -171.7 | -154.7 | -61 | 0 | 0 | 0 | 113.5 | V66 S70 A71 | V66-D68 PolarHBondContact O-N 3.35Å; D68-S70 VanDerWaalsContact C-N 3.31Å; D68-S70 PolarHBondContact O-N 3.35Å; D68-A71 WeakPolarHBondContact O-CB 3.41Å; D68-A71 PolarHBondContact O-N 3.38Å |
| 69 | D | 51.4 | Low | 50.9 | Low | 132 Ų | 132 | 125 Ų | 125 | 71% | 0.706 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65.1 | -28.2 | -176.6 | -80.1 | -54.9 | 0 | 0 | 0 | 114.6 | P67 A71 | P67-D69 PolarHBondContact O-N 3.37Å; D69-A71 VanDerWaalsContact C-N 3.26Å; D69-A71 PolarHBondContact O-N 3.45Å |
| 70 | S | 49.8 | Very low | 51.4 | Low | 63 Ų | 63 | 125 Ų | 125 | 44% | 0.441 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -73.9 | -15.9 | 175.7 | -79.8 | 0 | 0 | 0 | 0 | 113.6 | P67 D68 | P67-S70 PolarHBondContact O-N 3.44Å; D68-S70 VanDerWaalsContact C-N 3.31Å; D68-S70 PolarHBondContact O-N 3.35Å |
| 71 | A | 51.1 | Low | 52.1 | Low | 38 Ų | 38 | 123.5 Ų | 123.5 | 31% | 0.314 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -86.3 | -27.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.1 | D68 D69 R75 | D68-A71 WeakPolarHBondContact O-CB 3.41Å; D68-A71 PolarHBondContact O-N 3.38Å; D69-A71 VanDerWaalsContact C-N 3.26Å; D69-A71 PolarHBondContact O-N 3.45Å; A71-R75 WeakPolarHBondContact O-CG 3.45Å |
| 72 | R | 53.3 | Low | 52 | Low | 181 Ų | 181 | 118.7 Ų | 118.7 | 68% | 0.683 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -74.7 | -39 | 176.1 | -83.7 | -179.2 | 171.7 | 169 | -1.1 | 112.5 | R74 R75 | R72-R74 PolarHBondContact O-N 3.26Å; R72-R75 PolarHBondContact O-N 3.43Å |
| 73 | N | 52.5 | Low | 52.3 | Low | 111 Ų | 111 | 118.2 Ų | 118.2 | 59% | 0.594 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66 | -40.5 | -178 | -165.5 | -5.9 | 0 | 0 | 0 | 112.5 | R75 N76 | N73-R75 VanDerWaalsContact C-N 3.29Å; N73-R75 PolarHBondContact O-N 3.16Å; N73-N76 PolarHBondContact O-N 3.22Å |
| 74 | R | 53.4 | Low | 52.6 | Low | 170 Ų | 170 | 116.5 Ų | 116.5 | 64% | 0.642 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.8 | -31.5 | 178.7 | -64.9 | -175 | -156.1 | -144.4 | 4.5 | 113.3 | R72 N76 F78 | R72-R74 PolarHBondContact O-N 3.26Å; R74-N76 VanDerWaalsContact C-N 3.27Å; R74-N76 PolarHBondContact O-N 3.29Å; R74-F78 WeakPolarHBondContact O-CD2 3.39Å; R74-F78 PolarHBondContact O-N 3.48Å |
| 75 | R | 54.6 | Low | 52.7 | Low | 162 Ų | 162 | 115 Ų | 115 | 61% | 0.611 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69 | -25.1 | -179.5 | -68 | 176.9 | -165.9 | 146.7 | 7.7 | 113 | A71 R72 N73 | A71-R75 WeakPolarHBondContact O-CG 3.45Å; R72-R75 PolarHBondContact O-N 3.43Å; N73-R75 VanDerWaalsContact C-N 3.29Å; N73-R75 PolarHBondContact O-N 3.16Å |
| 76 | N | 52.8 | Low | 53 | Low | 105 Ų | 105 | 112.5 Ų | 112.5 | 56% | 0.561 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -81.6 | -37.7 | -179.3 | -145.7 | -1.3 | 0 | 0 | 0 | 111.7 | N73 R74 F78 R79 | N73-N76 PolarHBondContact O-N 3.22Å; R74-N76 VanDerWaalsContact C-N 3.27Å; R74-N76 PolarHBondContact O-N 3.29Å; N76-F78 PolarHBondContact O-N 3.15Å; N76-R79 PolarHBondContact O-N 3.34Å |
| 77 | I | 54.8 | Low | 52.8 | Low | 96 Ų | 96 | 111.4 Ų | 111.4 | 49% | 0.492 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65 | -39.2 | 178.5 | -59.5 | 169.5 | 0 | 0 | 0 | 111.4 | R79 I80 V81 | I77-R79 VanDerWaalsContact C-N 3.33Å; I77-R79 PolarHBondContact O-N 3.39Å; I77-I80 PolarHBondContact O-N 3.27Å; I77-V81 HydrophobicContact CG2-CG2 4.38Å; I77-V81 WeakPolarHBondContact O-CG2 3.48Å; I77-V81 PolarHBondContact O-N 3.48Å |
| 78 | F | 51.5 | Low | 52.9 | Low | 152 Ų | 152 | 111 Ų | 111 | 67% | 0.667 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.5 | -33.5 | 179.5 | -92.1 | -84.2 | 0 | 0 | 0 | 113.5 | R74 N76 I80 S82 | R74-F78 WeakPolarHBondContact O-CD2 3.39Å; R74-F78 PolarHBondContact O-N 3.48Å; N76-F78 PolarHBondContact O-N 3.15Å; F78-I80 VanDerWaalsContact C-N 3.34Å; F78-I80 PolarHBondContact O-N 3.23Å; F78-S82 WeakPolarHBondContact O-CB 3.43Å; F78-S82 PolarHBondContact O-N 3.37Å; F78-S82 PolarHBondContact O-OG 3.04Å |
| 79 | R | 52.2 | Low | 52.8 | Low | 196 Ų | 196 | 109.3 Ų | 109.3 | 74% | 0.74 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.4 | -34.2 | 177.2 | -76.9 | -176.3 | 170.5 | 170.6 | -3.3 | 112.5 | N76 I77 T83 | N76-R79 PolarHBondContact O-N 3.34Å; I77-R79 VanDerWaalsContact C-N 3.33Å; I77-R79 PolarHBondContact O-N 3.39Å; R79-T83 WeakPolarHBondContact O-CG2 3.38Å; R79-T83 PolarHBondContact O-N 2.97Å; R79-T83 PolarHBondContact O-OG1 3.15Å; R79-T83 VanDerWaalsContact O-OG1 3.13Å |
| 80 | I | 56.2 | Low | 52.8 | Low | 110 Ų | 110 | 108.9 Ų | 108.9 | 56% | 0.564 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -76.5 | -36 | -177.5 | -61.3 | 168.8 | 0 | 0 | 0 | 111.3 | I77 F78 T83 S84 | I77-I80 PolarHBondContact O-N 3.27Å; F78-I80 VanDerWaalsContact C-N 3.34Å; F78-I80 PolarHBondContact O-N 3.23Å; I80-T83 PolarHBondContact O-OG1 3.25Å; I80-S84 PolarHBondContact O-OG 3.34Å |
| 81 | V | 56.3 | Low | 52.6 | Low | 75 Ų | 75 | 115.8 Ų | 115.8 | 46% | 0.455 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -77.2 | -33.8 | -179.9 | 178.4 | 0 | 0 | 0 | 0 | 112 | I77 S84 L85 | I77-V81 HydrophobicContact CG2-CG2 4.38Å; I77-V81 WeakPolarHBondContact O-CG2 3.48Å; I77-V81 PolarHBondContact O-N 3.48Å; V81-S84 PolarHBondContact O-OG 3.36Å; V81-S84 VanDerWaalsContact O-OG 3.12Å; V81-L85 HydrophobicContact CG1-CD1 4.06Å; V81-L85 PolarHBondContact O-N 3.46Å |
| 82 | S | 53 | Low | 52.4 | Low | 62 Ų | 62 | 118.7 Ų | 118.7 | 43% | 0.434 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71.9 | -33.4 | 179.3 | -59.5 | 0 | 0 | 0 | 0 | 113.3 | F78 L86 | F78-S82 WeakPolarHBondContact O-CB 3.43Å; F78-S82 PolarHBondContact O-N 3.37Å; F78-S82 PolarHBondContact O-OG 3.04Å; S82-L86 WeakPolarHBondContact O-CD1 3.38Å; S82-L86 PolarHBondContact O-N 3.46Å |
| 83 | T | 55.5 | Low | 51.9 | Low | 90 Ų | 90 | 122 Ų | 122 | 55% | 0.552 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.9 | -33.4 | 178.7 | 50.4 | 0 | 0 | 0 | 0 | 112.6 | R79 I80 C87 | R79-T83 WeakPolarHBondContact O-CG2 3.38Å; R79-T83 PolarHBondContact O-N 2.97Å; R79-T83 PolarHBondContact O-OG1 3.15Å; R79-T83 VanDerWaalsContact O-OG1 3.13Å; I80-T83 PolarHBondContact O-OG1 3.25Å; T83-C87 WeakPolarHBondContact O-CB 3.47Å; T83-C87 PolarHBondContact O-N 3.37Å |
| 84 | S | 52.5 | Low | 51.7 | Low | 63 Ų | 63 | 125 Ų | 125 | 44% | 0.441 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -74.7 | -35.2 | -179.7 | 61.6 | 0 | 0 | 0 | 0 | 113.5 | I80 V81 S88 | I80-S84 PolarHBondContact O-OG 3.34Å; V81-S84 PolarHBondContact O-OG 3.36Å; V81-S84 VanDerWaalsContact O-OG 3.12Å; S84-S88 WeakPolarHBondContact O-CB 3.48Å; S84-S88 PolarHBondContact O-N 3.13Å; S84-S88 PolarHBondContact O-OG 3.04Å |
| 85 | L | 51.5 | Low | 51.3 | Low | 114 Ų | 114 | 127.4 Ų | 127.4 | 60% | 0.597 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -76.7 | -36.3 | 178.5 | -71.9 | 169.6 | 0 | 0 | 0 | 112.7 | V81 S88 A89 | V81-L85 HydrophobicContact CG1-CD1 4.06Å; V81-L85 PolarHBondContact O-N 3.46Å; L85-S88 PolarHBondContact O-N 3.06Å; L85-A89 VanDerWaalsContact O-CB 3.22Å; L85-A89 WeakPolarHBondContact O-CB 3.36Å; L85-A89 PolarHBondContact O-N 2.83Å |
| 86 | L | 52.3 | Low | 50.6 | Low | 108 Ų | 108 | 124 Ų | 124 | 57% | 0.565 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -71.4 | -37.2 | 176.2 | -77.2 | 164.1 | 0 | 0 | 0 | 112.3 | S82 S88 L90 | S82-L86 WeakPolarHBondContact O-CD1 3.38Å; S82-L86 PolarHBondContact O-N 3.46Å; L86-S88 VanDerWaalsContact C-N 3.3Å; L86-S88 PolarHBondContact O-N 3.27Å; L86-L90 HydrophobicContact CB-CD1 4.49Å; L86-L90 HydrophobicContact CD2-CD1 4.25Å; L86-L90 VanDerWaalsContact O-CB 3.22Å; L86-L90 WeakPolarHBondContact O-CB 3.32Å; L86-L90 WeakPolarHBondContact O-CD1 3.43Å; L86-L90 VanDerWaalsContact O-CG 3.32Å; L86-L90 WeakPolarHBondContact O-CG 3.49Å; L86-L90 PolarHBondContact O-N 2.98Å; L86-L90 VanDerWaalsContact O-N 3.11Å |
| 87 | C | 48.2 | Very low | 50.1 | Low | 100 Ų | 100 | 126.4 Ų | 126.4 | 68% | 0.676 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -70 | -24.8 | 173.3 | -89.1 | 0 | 0 | 0 | 0 | 113.8 | T83 | T83-C87 WeakPolarHBondContact O-CB 3.47Å; T83-C87 PolarHBondContact O-N 3.37Å |
| 88 | S | 53 | Low | 49.8 | Very low | 84 Ų | 84 | 126.3 Ų | 126.3 | 59% | 0.587 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -87.7 | -33.3 | 178.6 | -56.5 | 0 | 0 | 0 | 0 | 112.7 | S84 L85 L86 | S84-S88 WeakPolarHBondContact O-CB 3.48Å; S84-S88 PolarHBondContact O-N 3.13Å; S84-S88 PolarHBondContact O-OG 3.04Å; L85-S88 PolarHBondContact O-N 3.06Å; L86-S88 VanDerWaalsContact C-N 3.3Å; L86-S88 PolarHBondContact O-N 3.27Å |
| 89 | A | 52.2 | Low | 49.4 | Very low | 83 Ų | 83 | 125.1 Ų | 125.1 | 69% | 0.686 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -87.6 | -16.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L85 | L85-A89 VanDerWaalsContact O-CB 3.22Å; L85-A89 WeakPolarHBondContact O-CB 3.36Å; L85-A89 PolarHBondContact O-N 2.83Å |
| 90 | L | 52.2 | Low | 49.3 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 64% | 0.644 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | 15 | 176.1 | -66.6 | 168.9 | 0 | 0 | 0 | 113.5 | L86 P92 | L86-L90 HydrophobicContact CB-CD1 4.49Å; L86-L90 HydrophobicContact CD2-CD1 4.25Å; L86-L90 VanDerWaalsContact O-CB 3.22Å; L86-L90 WeakPolarHBondContact O-CB 3.32Å; L86-L90 WeakPolarHBondContact O-CD1 3.43Å; L86-L90 VanDerWaalsContact O-CG 3.32Å; L86-L90 WeakPolarHBondContact O-CG 3.49Å; L86-L90 PolarHBondContact O-N 2.98Å; L86-L90 VanDerWaalsContact O-N 3.11Å; L90-P92 WeakPolarHBondContact O-CD 3.25Å |
| 91 | R | 46.2 | Very low | 49 | Very low | 208 Ų | 208 | 125.4 Ų | 125.4 | 79% | 0.785 | 67% | 0.671 | S | S | * | * | | | trans | -63.4 | 109.9 | 160.1 | -76.2 | -164.3 | -154.1 | -148.8 | 6.1 | 106.7 | W93 | R91-W93 PolarHBondContact O-N 3.17Å; R91-W93 VanDerWaalsContact O-N 3.12Å |
| 92 | P | 45.9 | Very low | 48.6 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 64% | 0.643 | 69% | 0.694 | S | S | * | * | | | trans | -64.9 | 124.1 | 173.7 | -2.8 | 20.7 | 0 | 0 | 0 | 104.9 | L90 K94 | L90-P92 WeakPolarHBondContact O-CD 3.25Å; P92-K94 HydrophobicContact CB-CB 4.22Å; P92-K94 HydrophobicContact CB-CG 4.41Å; P92-K94 PolarHBondContact O-N 3.21Å |
| 93 | W | 43.9 | Very low | 48.1 | Very low | 251 Ų | 251 | 133.6 Ų | 133.6 | 95% | 0.951 | 71% | 0.707 | S | S | * | * | | | trans | -60.3 | 76.3 | 159.2 | -168 | 11.4 | 0 | 0 | 0 | 106.7 | R91 | R91-W93 PolarHBondContact O-N 3.17Å; R91-W93 VanDerWaalsContact O-N 3.12Å |
| 94 | K | 48.3 | Very low | 47.9 | Very low | 173 Ų | 173 | 141.2 Ų | 141.2 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | | | trans | -108.1 | 114.7 | -179.5 | -123.3 | -172.9 | -178.1 | -179 | 0 | 106.1 | P92 | P92-K94 HydrophobicContact CB-CB 4.22Å; P92-K94 HydrophobicContact CB-CG 4.41Å; P92-K94 PolarHBondContact O-N 3.21Å |
| 95 | R | 43.7 | Very low | 47.6 | Very low | 222 Ų | 222 | 147.9 Ų | 147.9 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | | | trans | 82.6 | 66.9 | 166.2 | -63.6 | 176.1 | 170 | 162.2 | -4.9 | 116.9 | | |
| 96 | S | 41 | Very low | 47.3 | Very low | 91 Ų | 91 | 154 Ų | 154 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | S | Bend | | -77.2 | 143.6 | 121.1 | -61.8 | 0 | 0 | 0 | 0 | 106.8 | | |
| 97 | D | 42 | Very low | 47.5 | Very low | 154 Ų | 154 | 160.4 Ų | 160.4 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | | | trans | 91.8 | 86.3 | -173.8 | -56.7 | -39.2 | 0 | 0 | 0 | 117 | | |
| 98 | S | 48.4 | Very low | 47.5 | Very low | 95 Ų | 95 | 163.5 Ų | 163.5 | 66% | 0.664 | 80% | 0.801 | S | S | * | * | | | trans | -169.4 | 93.4 | 150.3 | 162.4 | 0 | 0 | 0 | 0 | 110.2 | R100 | S98-R100 PolarHBondContact O-N 3.32Š|
| 99 | P | 43.5 | Very low | 47.2 | Very low | 126 Ų | 126 | 167.6 Ų | 167.6 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -87.2 | 90.8 | 165.1 | 33.2 | -24.1 | 0 | 0 | 0 | 107.3 | | |
| 100 | R | 50.3 | Low | 46.9 | Very low | 232 Ų | 232 | 172.3 Ų | 172.3 | 88% | 0.875 | 82% | 0.819 | S | S | * | * | | | trans | -162 | 132.8 | 170.7 | -119.6 | 168.7 | -169.6 | -178.6 | 2.6 | 113 | S98 | S98-R100 PolarHBondContact O-N 3.32Š|
| 101 | A | 50 | Low | 46.6 | Very low | 81 Ų | 81 | 175.2 Ų | 175.2 | 67% | 0.669 | 83% | 0.829 | S | S | * | * | | | trans | 82.7 | 91.6 | 142.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 102 | Y | 46.4 | Very low | 46.6 | Very low | 239 Ų | 239 | 173.2 Ų | 173.2 | 94% | 0.937 | 83% | 0.832 | S | S | * | * | | | | 43.7 | 118.9 | 120.5 | -78.3 | -90.3 | 0 | 0 | 0 | 118.1 | | |
| 103 | G | 43.8 | Very low | 46.7 | Very low | 69 Ų | 69 | 178.1 Ų | 178.1 | 71% | 0.711 | 85% | 0.845 | S | S | * | * | | | trans | 96.4 | 93.9 | 137.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 104 | R | 50.8 | Low | 46.9 | Very low | 251 Ų | 251 | 172.9 Ų | 172.9 | 95% | 0.947 | 84% | 0.837 | S | S | * | * | | | trans | -155.1 | 109.8 | 137 | -111.7 | 169.7 | -168.9 | -172.5 | 3.1 | 110.8 | | |
| 105 | F | 46.2 | Very low | 46.8 | Very low | 202 Ų | 202 | 172.9 Ų | 172.9 | 89% | 0.886 | 84% | 0.844 | S | S | * | * | | | trans | -40.1 | 140.9 | 166.6 | -82.8 | -106.2 | 0 | 0 | 0 | 114.3 | | |
| 106 | R | 45.7 | Very low | 47 | Very low | 243 Ų | 243 | 168.8 Ų | 168.8 | 92% | 0.917 | 84% | 0.844 | S | S | * | * | | | | 176.7 | 98.3 | 123.7 | -102.1 | 179.8 | 176.3 | 170.8 | -1 | 110.8 | | |
| 107 | I | 56.5 | Low | 47.6 | Very low | 243 Ų | 243 | 175.9 Ų | 175.9 | 100% | 1.246 | 86% | 0.863 | S | S | * | * | | | trans | -135.4 | 0 | 137.6 | -59.8 | -178.8 | 0 | 0 | 0 | 105 | | |