| 1 | M | 42.6 | Very low | 53.1 | Low | 226 Ų | 226 | 148.1 Ų | 148.1 | 100% | 1.113 | 78% | 0.775 | S | S | * | * | | | | 0 | 83.9 | 0 | -74.6 | -174.4 | 175.2 | 0 | 0 | 103.6 | E3 | M1-E3 PolarHBondContact O-N 2.87Å; M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 VanDerWaalsContact O-N 3.1Å |
| 2 | D | 49.9 | Very low | 53.7 | Low | 160 Ų | 160 | 148.2 Ų | 148.2 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | trans | -78.6 | 92.3 | -177.6 | -59.8 | -87.4 | 0 | 0 | 0 | 105.9 | D4 | D2-D4 PolarHBondContact O-N 3.33Š|
| 3 | E | 53.5 | Low | 54.7 | Low | 176 Ų | 176 | 142.7 Ų | 142.7 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | | | trans | -55 | 129.2 | 178.6 | -82.8 | 169.4 | 85.2 | 0 | 0 | 109.6 | M1 V5 | M1-E3 PolarHBondContact O-N 2.87Å; M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 VanDerWaalsContact O-N 3.1Å; E3-V5 VanDerWaalsContact C-N 3.35Å; E3-V5 PolarHBondContact O-N 3.41Å |
| 4 | D | 53.7 | Low | 55.8 | Low | 135 Ų | 135 | 143.2 Ų | 143.2 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | | | trans | -56.9 | 82.5 | -171.5 | -57.9 | -92.2 | 0 | 0 | 0 | 112.9 | D2 L6 | D2-D4 PolarHBondContact O-N 3.33Å; D4-L6 HydrophobicContact CB-CD1 3.94Å; D4-L6 HydrophobicContact CB-CG 4.16Å; D4-L6 PolarHBondContact O-N 3.46Å |
| 5 | V | 58.8 | Low | 56.7 | Low | 123 Ų | 123 | 136.6 Ų | 136.6 | 75% | 0.745 | 73% | 0.728 | S | S | * | * | | | trans | -75.9 | 77.2 | 161.8 | -177.1 | 0 | 0 | 0 | 0 | 107.6 | E3 T7 | E3-V5 VanDerWaalsContact C-N 3.35Å; E3-V5 PolarHBondContact O-N 3.41Å; V5-T7 PolarHBondContact O-N 2.8Å |
| 6 | L | 55.8 | Low | 57 | Low | 143 Ų | 143 | 138.3 Ų | 138.3 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | | | trans | -68.1 | -28.2 | -171 | -98.2 | 154.8 | 0 | 0 | 0 | 113.5 | D4 | D4-L6 HydrophobicContact CB-CD1 3.94Å; D4-L6 HydrophobicContact CB-CG 4.16Å; D4-L6 PolarHBondContact O-N 3.46Å |
| 7 | T | 46.4 | Very low | 57.1 | Low | 121 Ų | 121 | 137.7 Ų | 137.7 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | | | trans | -165.8 | 118.9 | 174.1 | 44.2 | 0 | 0 | 0 | 0 | 112.3 | V5 L9 | V5-T7 PolarHBondContact O-N 2.8Å; T7-L9 PolarHBondContact O-N 3.1Å |
| 8 | T | 53 | Low | 57.4 | Low | 118 Ų | 118 | 134.2 Ų | 134.2 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | | | trans | -80.6 | 111.9 | 165.1 | -50.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 9 | L | 52.1 | Low | 57.8 | Low | 132 Ų | 132 | 132.3 Ų | 132.3 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | | | trans | -93.8 | 121 | 178.9 | -151.8 | 84.3 | 0 | 0 | 0 | 110.5 | T7 I11 | T7-L9 PolarHBondContact O-N 3.1Å; L9-I11 HydrophobicContact CD2-CD1 3.98Å; L9-I11 HydrophobicContact CG-CG1 4.44Å; L9-I11 HydrophobicContact CD2-CG1 3.91Å |
| 10 | K | 52.9 | Low | 57.9 | Low | 202 Ų | 202 | 127.1 Ų | 127.1 | 88% | 0.878 | 71% | 0.712 | S | S | * | * | | | trans | -100.4 | 112.2 | 172.9 | -73.9 | -176 | 178.3 | 178.1 | 0 | 109.8 | | |
| 11 | I | 65.6 | Low | 58.5 | Low | 93 Ų | 93 | 123.2 Ų | 123.2 | 48% | 0.477 | 69% | 0.687 | S | S | . | * | | | trans | -104.4 | 128 | 177.8 | -53.2 | 176.8 | 0 | 0 | 0 | 109 | L9 I13 | L9-I11 HydrophobicContact CD2-CD1 3.98Å; L9-I11 HydrophobicContact CG-CG1 4.44Å; L9-I11 HydrophobicContact CD2-CG1 3.91Å; I11-I13 HydrophobicContact CG2-CD1 4.3Å; I11-I13 HydrophobicContact CG2-CG1 3.77Å |
| 12 | L | 60.4 | Low | 59.4 | Low | 149 Ų | 149 | 116.7 Ų | 116.7 | 78% | 0.78 | 66% | 0.664 | S | S | * | * | | | trans | -113.5 | 112.2 | 171 | 179.6 | 67 | 0 | 0 | 0 | 108.6 | I14 | L12-I14 HydrophobicContact CD2-CD1 4.14Å; L12-I14 HydrophobicContact CD2-CG1 4.43Å; L12-I14 HydrophobicContact CG-CD1 4.41Å; L12-I14 HydrophobicContact CG-CG1 4.16Å |
| 13 | I | 66.3 | Low | 59.8 | Low | 77 Ų | 77 | 112.7 Ų | 112.7 | 40% | 0.395 | 65% | 0.649 | S | S | . | * | | | trans | -104.6 | 119.3 | 176.2 | -49.8 | -170.9 | 0 | 0 | 0 | 109.2 | I11 K21 L25 | I11-I13 HydrophobicContact CG2-CD1 4.3Å; I11-I13 HydrophobicContact CG2-CG1 3.77Å; I13-K21 HydrophobicContact CG2-CG 3.79Å; I13-K21 HydrophobicContact CG2-CD 3.64Å; I13-K21 HydrophobicContact CG2-CB 4.12Å; I13-L25 HydrophobicContact CD1-CD2 3.65Å; I13-L25 HydrophobicContact CD1-CG 3.49Å; I13-L25 VanDerWaalsContact CD1-CG 3.49Å; I13-L25 HydrophobicContact CG1-CD1 4.33Å; I13-L25 HydrophobicContact CG1-CD2 4.45Å; I13-L25 HydrophobicContact CD1-CD1 3.71Å |
| 14 | I | 70.3 | Confident | 60.1 | Low | 150 Ų | 150 | 110.4 Ų | 110.4 | 77% | 0.769 | 64% | 0.641 | S | S | * | * | | | trans | -110.2 | 133.8 | 175.2 | -54.6 | 176.9 | 0 | 0 | 0 | 108.1 | L12 | L12-I14 HydrophobicContact CD2-CD1 4.14Å; L12-I14 HydrophobicContact CD2-CG1 4.43Å; L12-I14 HydrophobicContact CG-CD1 4.41Å; L12-I14 HydrophobicContact CG-CG1 4.16Å |
| 15 | G | 69.4 | Low | 60.4 | Low | 44 Ų | 44 | 107 Ų | 107 | 45% | 0.454 | 62% | 0.623 | S | S | . | * | | | trans | 178.8 | 169.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K21 | G15-K21 WeakPolarHBondContact O-CE 3.46Å; G15-K21 PolarHBondContact O-NZ 3.27Å |
| 16 | E | 61.2 | Low | 60.4 | Low | 164 Ų | 164 | 106.6 Ų | 106.6 | 77% | 0.766 | 62% | 0.616 | S | S | * | * | | | trans | -62 | 137.5 | -175 | -150.7 | 173.7 | -162.8 | 0 | 0 | 113.7 | G18 K21 | E16-G18 VanDerWaalsContact O-N 3.16Å; E16-G18 PolarHBondContact O-N 3.47Å; E16-K21 PolarHBondContact O-NZ 3.47Å |
| 17 | S | 59.3 | Low | 60.5 | Low | 128 Ų | 128 | 110.5 Ų | 110.5 | 90% | 0.895 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | 118.5 | -175.9 | -168.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 18 | G | 62 | Low | 60.9 | Low | 75 Ų | 75 | 112.6 Ų | 112.6 | 77% | 0.773 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 124.7 | -12.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | E16 G20 | E16-G18 VanDerWaalsContact O-N 3.16Å; E16-G18 PolarHBondContact O-N 3.47Å; G18-G20 VanDerWaalsContact C-N 3.35Å; G18-G20 PolarHBondContact O-N 2.94Å |
| 19 | V | 65 | Low | 60.9 | Low | 97 Ų | 97 | 110.8 Ų | 110.8 | 59% | 0.588 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -87.5 | 14.3 | -173.6 | -52.6 | 0 | 0 | 0 | 0 | 115.8 | K21 | V19-K21 HydrophobicContact CG2-CD 4.37Å; V19-K21 HydrophobicContact CG2-CG 3.86Å; V19-K21 VanDerWaalsContact CG2-NZ 3.3Å; V19-K21 PolarHBondContact O-N 3.26Å |
| 20 | G | 60.2 | Low | 60.7 | Low | 29 Ų | 29 | 110.8 Ų | 110.8 | 30% | 0.299 | 61% | 0.609 | S | S | . | * | | | trans | 70.7 | 29.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | G18 S22 S23 L24 | G18-G20 VanDerWaalsContact C-N 3.35Å; G18-G20 PolarHBondContact O-N 2.94Å; G20-S22 PolarHBondContact O-N 3.46Å; G20-S23 PolarHBondContact O-N 3.3Å; G20-S23 VanDerWaalsContact O-N 3.15Å; G20-S23 PolarHBondContact O-OG 3.18Å; G20-S23 VanDerWaalsContact CA-OG 3.28Å; G20-S23 WeakPolarHBondContact CA-OG 3.47Å; G20-S23 VanDerWaalsContact C-OG 3.31Å; G20-L24 PolarHBondContact O-N 3.49Å; G20-L24 VanDerWaalsContact O-N 3.17Å |
| 21 | K | 69.7 | Low | 60.5 | Low | 45 Ų | 45 | 108.6 Ų | 108.6 | 20% | 0.196 | 61% | 0.607 | C | S | . | * | H | α-helix | trans | -55.5 | -39.8 | 172.5 | -69.4 | 175.9 | -73.9 | -73.1 | 0 | 112 | I13 G15 E16 V19 L24 L25 | I13-K21 HydrophobicContact CG2-CG 3.79Å; I13-K21 HydrophobicContact CG2-CD 3.64Å; I13-K21 HydrophobicContact CG2-CB 4.12Å; G15-K21 WeakPolarHBondContact O-CE 3.46Å; G15-K21 PolarHBondContact O-NZ 3.27Å; E16-K21 PolarHBondContact O-NZ 3.47Å; V19-K21 HydrophobicContact CG2-CD 4.37Å; V19-K21 HydrophobicContact CG2-CG 3.86Å; V19-K21 VanDerWaalsContact CG2-NZ 3.3Å; V19-K21 PolarHBondContact O-N 3.26Å; K21-L24 PolarHBondContact O-N 3.34Å; K21-L25 PolarHBondContact O-N 2.89Å |
| 22 | S | 61.3 | Low | 59.7 | Low | 89 Ų | 89 | 110.3 Ų | 110.3 | 62% | 0.622 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.3 | -36 | 177.5 | -47.4 | 0 | 0 | 0 | 0 | 112.7 | G20 L24 L25 L26 | G20-S22 PolarHBondContact O-N 3.46Å; S22-L24 VanDerWaalsContact C-N 3.32Å; S22-L24 PolarHBondContact O-N 3.17Å; S22-L25 PolarHBondContact O-N 2.97Å; S22-L26 WeakPolarHBondContact O-CG 3.32Å; S22-L26 PolarHBondContact O-N 3.01Å; S22-L26 VanDerWaalsContact O-CG 3.28Å; S22-L26 WeakPolarHBondContact O-CD1 3.28Å; S22-L26 WeakPolarHBondContact O-CB 3.43Å |
| 23 | S | 58.9 | Low | 59 | Low | 76 Ų | 76 | 111.5 Ų | 111.5 | 53% | 0.531 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -71.1 | -25.8 | 175.8 | 42.3 | 0 | 0 | 0 | 0 | 113.6 | G20 R27 | G20-S23 PolarHBondContact O-N 3.3Å; G20-S23 VanDerWaalsContact O-N 3.15Å; G20-S23 PolarHBondContact O-OG 3.18Å; G20-S23 VanDerWaalsContact CA-OG 3.28Å; G20-S23 WeakPolarHBondContact CA-OG 3.47Å; G20-S23 VanDerWaalsContact C-OG 3.31Å; S23-R27 PolarHBondContact O-N 2.94Å |
| 24 | L | 60.3 | Low | 58 | Low | 128 Ų | 128 | 112.7 Ų | 112.7 | 67% | 0.67 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -75.7 | -38.9 | 175 | -114 | 144.1 | 0 | 0 | 0 | 111.7 | G20 K21 S22 F28 | G20-L24 PolarHBondContact O-N 3.49Å; G20-L24 VanDerWaalsContact O-N 3.17Å; K21-L24 PolarHBondContact O-N 3.34Å; S22-L24 VanDerWaalsContact C-N 3.32Å; S22-L24 PolarHBondContact O-N 3.17Å; L24-F28 WeakPolarHBondContact O-CB 3.28Å; L24-F28 PolarHBondContact O-N 2.68Å |
| 25 | L | 60.5 | Low | 56.9 | Low | 63 Ų | 63 | 110.4 Ų | 110.4 | 33% | 0.33 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.6 | -48.9 | 172.6 | -77.7 | 166.2 | 0 | 0 | 0 | 111.2 | I13 K21 S22 R27 F28 T29 | I13-L25 HydrophobicContact CD1-CD2 3.65Å; I13-L25 HydrophobicContact CD1-CG 3.49Å; I13-L25 VanDerWaalsContact CD1-CG 3.49Å; I13-L25 HydrophobicContact CG1-CD1 4.33Å; I13-L25 HydrophobicContact CG1-CD2 4.45Å; I13-L25 HydrophobicContact CD1-CD1 3.71Å; K21-L25 PolarHBondContact O-N 2.89Å; S22-L25 PolarHBondContact O-N 2.97Å; L25-R27 VanDerWaalsContact C-N 3.29Å; L25-R27 PolarHBondContact O-N 3.33Å; L25-F28 PolarHBondContact O-N 3.44Å; L25-T29 PolarHBondContact O-N 3.32Å; L25-T29 PolarHBondContact O-OG1 3Å |
| 26 | L | 57.8 | Low | 55.9 | Low | 116 Ų | 116 | 116.6 Ų | 116.6 | 61% | 0.607 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -56.3 | -40.4 | 178.9 | -75.3 | 164.5 | 0 | 0 | 0 | 112.5 | S22 F28 D30 | S22-L26 WeakPolarHBondContact O-CG 3.32Å; S22-L26 PolarHBondContact O-N 3.01Å; S22-L26 VanDerWaalsContact O-CG 3.28Å; S22-L26 WeakPolarHBondContact O-CD1 3.28Å; S22-L26 WeakPolarHBondContact O-CB 3.43Å; L26-F28 PolarHBondContact O-N 3.15Å; L26-F28 VanDerWaalsContact C-N 3.32Å; L26-D30 WeakPolarHBondContact O-CB 3.46Å; L26-D30 PolarHBondContact O-N 3.05Å |
| 27 | R | 57.8 | Low | 55.4 | Low | 225 Ų | 225 | 116.2 Ų | 116.2 | 85% | 0.849 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -68 | -29.3 | 175.6 | -171.2 | 86.3 | 93.4 | 149.7 | 8.5 | 113 | S23 L25 | S23-R27 PolarHBondContact O-N 2.94Å; L25-R27 VanDerWaalsContact C-N 3.29Å; L25-R27 PolarHBondContact O-N 3.33Å |
| 28 | F | 55.3 | Low | 54.7 | Low | 165 Ų | 165 | 113.9 Ų | 113.9 | 72% | 0.724 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -90.2 | -21.9 | -174.2 | -160 | -97.7 | 0 | 0 | 0 | 113 | L24 L25 L26 | L24-F28 WeakPolarHBondContact O-CB 3.28Å; L24-F28 PolarHBondContact O-N 2.68Å; L25-F28 PolarHBondContact O-N 3.44Å; L26-F28 PolarHBondContact O-N 3.15Å; L26-F28 VanDerWaalsContact C-N 3.32Å |
| 29 | T | 53.6 | Low | 53.8 | Low | 80 Ų | 80 | 114 Ų | 114 | 49% | 0.491 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -99.9 | -4.4 | 179.8 | 50.2 | 0 | 0 | 0 | 0 | 114.6 | L25 D31 | L25-T29 PolarHBondContact O-N 3.32Å; L25-T29 PolarHBondContact O-OG1 3Å; T29-D31 PolarHBondContact O-N 3.33Å |
| 30 | D | 47.9 | Very low | 52.9 | Low | 131 Ų | 131 | 116 Ų | 116 | 70% | 0.701 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 48.8 | -175.3 | -133.4 | -11.1 | 0 | 0 | 0 | 113.7 | L26 | L26-D30 WeakPolarHBondContact O-CB 3.46Å; L26-D30 PolarHBondContact O-N 3.05Å |
| 31 | D | 48.3 | Very low | 52.5 | Low | 156 Ų | 156 | 122.3 Ų | 122.3 | 83% | 0.834 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.6 | 18.1 | 161.3 | -139.7 | 2.5 | 0 | 0 | 0 | 113.1 | T29 | T29-D31 PolarHBondContact O-N 3.33Š|
| 32 | T | 47.8 | Very low | 51.2 | Low | 129 Ų | 129 | 123 Ų | 123 | 79% | 0.791 | 68% | 0.683 | S | S | * | * | | | trans | -168.1 | 94.7 | 161.1 | 4 | 0 | 0 | 0 | 0 | 109.3 | D34 | T32-D34 PolarHBondContact O-N 2.7Š|
| 33 | F | 47.1 | Very low | 50.4 | Low | 174 Ų | 174 | 129.2 Ų | 129.2 | 76% | 0.763 | 69% | 0.694 | S | S | * | * | | | trans | -81 | 102.1 | 172 | 177.3 | -101.3 | 0 | 0 | 0 | 108.6 | P35 | F33-P35 HydrophobicContact CD1-CB 4.5Å; F33-P35 HydrophobicContact CE1-CB 3.86Å; F33-P35 HydrophobicContact CZ-CB 4.41Å; F33-P35 VanDerWaalsContact O-CD 3.32Å; F33-P35 WeakPolarHBondContact O-CD 3.15Å |
| 34 | D | 44.9 | Very low | 49.7 | Very low | 102 Ų | 102 | 131.6 Ų | 131.6 | 55% | 0.545 | 71% | 0.709 | S | S | . | * | | | trans | -92.2 | 106.9 | 170.6 | -138.5 | -44.9 | 0 | 0 | 0 | 108.8 | T32 E36 L37 | T32-D34 PolarHBondContact O-N 2.7Å; D34-E36 PolarHBondContact O-N 2.6Å; D34-L37 PolarHBondContact O-N 3.16Å |
| 35 | P | 46.9 | Very low | 48.6 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 67% | 0.669 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -7.3 | -176.5 | 25.2 | -32.9 | 0 | 0 | 0 | 113.7 | F33 L37 | F33-P35 HydrophobicContact CD1-CB 4.5Å; F33-P35 HydrophobicContact CE1-CB 3.86Å; F33-P35 HydrophobicContact CZ-CB 4.41Å; F33-P35 VanDerWaalsContact O-CD 3.32Å; F33-P35 WeakPolarHBondContact O-CD 3.15Å; P35-L37 VanDerWaalsContact C-N 3.3Å |
| 36 | E | 48.3 | Very low | 48.2 | Very low | 173 Ų | 173 | 136.1 Ų | 136.1 | 81% | 0.808 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -2.5 | 170.5 | -74.2 | -167.4 | 107.3 | 0 | 0 | 113.9 | D34 A38 | D34-E36 PolarHBondContact O-N 2.6Å; E36-A38 PolarHBondContact O-N 2.81Å |
| 37 | L | 49.9 | Very low | 47.6 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -71.5 | 77.3 | 170 | -148.5 | 96.2 | 0 | 0 | 0 | 109.3 | D34 P35 A39 | D34-L37 PolarHBondContact O-N 3.16Å; P35-L37 VanDerWaalsContact C-N 3.3Å; L37-A39 PolarHBondContact O-N 3.07Å |
| 38 | A | 45.2 | Very low | 47.2 | Very low | 79 Ų | 79 | 137.5 Ų | 137.5 | 65% | 0.653 | 73% | 0.73 | S | S | * | * | | | trans | -39.7 | 113.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | E36 T40 | E36-A38 PolarHBondContact O-N 2.81Å; A38-T40 PolarHBondContact O-N 3.05Å |
| 39 | A | 43.2 | Very low | 46.8 | Very low | 76 Ų | 76 | 139.1 Ų | 139.1 | 63% | 0.628 | 75% | 0.753 | S | S | * | * | | | trans | -46.1 | 120.8 | 166 | 0 | 0 | 0 | 0 | 0 | 108.3 | L37 I41 G42 | L37-A39 PolarHBondContact O-N 3.07Å; A39-I41 PolarHBondContact O-N 2.73Å; A39-G42 PolarHBondContact O-N 3.27Å |
| 40 | T | 45.7 | Very low | 46.5 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 46.8 | 177.1 | -25.2 | 0 | 0 | 0 | 0 | 111.2 | A38 | A38-T40 PolarHBondContact O-N 3.05Š|
| 41 | I | 51.8 | Low | 46.4 | Very low | 163 Ų | 163 | 142.6 Ų | 142.6 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.9 | 9.9 | 169.2 | -42.8 | -178.8 | 0 | 0 | 0 | 108.9 | A39 | A39-I41 PolarHBondContact O-N 2.73Š|
| 42 | G | 42.3 | Very low | 46.3 | Very low | 59 Ų | 59 | 141.9 Ų | 141.9 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | | | trans | -100.7 | -9.3 | -178 | 0 | 0 | 0 | 0 | 0 | 116.1 | A39 C44 | A39-G42 PolarHBondContact O-N 3.27Å; G42-C44 PolarHBondContact O-N 2.92Å |
| 43 | Y | 43.8 | Very low | 46.2 | Very low | 220 Ų | 220 | 142.6 Ų | 142.6 | 86% | 0.863 | 77% | 0.765 | S | S | * | * | | | trans | -86.5 | 72.6 | 169.2 | -76.5 | -82.2 | 0 | 0 | 0 | 109.6 | W45 | Y43-W45 VanDerWaalsContact C-N 3.27Å; Y43-W45 PolarHBondContact O-N 3.05Å |
| 44 | C | 45.3 | Very low | 46.2 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | | | trans | -51.5 | 93.2 | 153 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | G42 | G42-C44 PolarHBondContact O-N 2.92Š|
| 45 | W | 36.2 | Very low | 46.3 | Very low | 204 Ų | 204 | 143.3 Ų | 143.3 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | trans | -87.2 | 113 | 169.4 | -171.2 | 77.9 | 0 | 0 | 0 | 108.5 | Y43 R47 | Y43-W45 VanDerWaalsContact C-N 3.27Å; Y43-W45 PolarHBondContact O-N 3.05Å; W45-R47 HydrophobicContact CZ3-CB 4.49Å; W45-R47 HydrophobicContact CZ3-CG 4.43Å |
| 46 | S | 52.8 | Low | 46.2 | Very low | 81 Ų | 81 | 146.1 Ų | 146.1 | 57% | 0.566 | 79% | 0.787 | S | S | * | * | | | trans | -50.8 | 132.3 | 176.4 | 178.3 | 0 | 0 | 0 | 0 | 112 | | |
| 47 | R | 46.3 | Very low | 46.1 | Very low | 193 Ų | 193 | 144.1 Ų | 144.1 | 73% | 0.728 | 79% | 0.786 | S | S | * | * | | | trans | -135.3 | 99.2 | 142 | -138.8 | -177.8 | 163.2 | 93 | 3.1 | 108.9 | W45 V49 | W45-R47 HydrophobicContact CZ3-CB 4.49Å; W45-R47 HydrophobicContact CZ3-CG 4.43Å; R47-V49 PolarHBondContact O-N 3.22Å |
| 48 | E | 47.8 | Very low | 45.7 | Very low | 177 Ų | 177 | 143 Ų | 143 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | | | trans | -53.5 | 111.5 | 154.6 | -170.8 | 154 | 174.1 | 0 | 0 | 108.9 | | |
| 49 | V | 48.6 | Very low | 45.8 | Very low | 199 Ų | 199 | 148.8 Ų | 148.8 | 100% | 1.206 | 80% | 0.795 | S | S | * | * | | | trans | -150 | 0 | 147.2 | -77.3 | 0 | 0 | 0 | 0 | 108.6 | R47 | R47-V49 PolarHBondContact O-N 3.22Š|