| 1 | M | 39.1 | Very low | 47.7 | Very low | 237 Ų | 237 | 133.5 Ų | 133.5 | 100% | 1.167 | 82% | 0.821 | S | S | * | * | | | | 0 | 103.1 | 0 | -72 | 160.2 | 147.1 | 0 | 0 | 106.6 | | |
| 2 | F | 42.9 | Very low | 47.5 | Very low | 187 Ų | 187 | 127.9 Ų | 127.9 | 82% | 0.82 | 81% | 0.809 | S | S | * | * | | | trans | -86.9 | 121.8 | 176 | 92.5 | -83 | 0 | 0 | 0 | 106.4 | G4 | F2-G4 PolarHBondContact O-N 3.19Š|
| 3 | N | 46.7 | Very low | 47.9 | Very low | 162 Ų | 162 | 123.5 Ų | 123.5 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | | | trans | -82.9 | 99 | 174.5 | -73.1 | -5.4 | 0 | 0 | 0 | 107.2 | | |
| 4 | G | 44.3 | Very low | 48.2 | Very low | 52 Ų | 52 | 122.6 Ų | 122.6 | 54% | 0.536 | 79% | 0.79 | S | S | . | * | | | trans | -91.1 | 116.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | F2 | F2-G4 PolarHBondContact O-N 3.19Š|
| 5 | E | 52.3 | Low | 48.8 | Very low | 178 Ų | 178 | 126.3 Ų | 126.3 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | -133.4 | 121.5 | 159.1 | -114.9 | -72.6 | 117.6 | 0 | 0 | 106.4 | | |
| 6 | P | 57.4 | Low | 49.2 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | | | trans | -77.3 | 142 | -174.3 | 31 | -32.3 | 0 | 0 | 0 | 111.5 | | |
| 7 | G | 49.8 | Very low | 49.3 | Very low | 68 Ų | 68 | 126.1 Ų | 126.1 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | | | trans | -69.6 | -156.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 8 | P | 51.4 | Low | 49.5 | Very low | 131 Ų | 131 | 126.2 Ų | 126.2 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | | | | -87.1 | 127 | -115.8 | 32.4 | -35.3 | 0 | 0 | 0 | 114.5 | S10 | P8-S10 PolarHBondContact O-N 3.48Å; P8-S10 VanDerWaalsContact O-N 3.17Å |
| 9 | A | 42.7 | Very low | 49.9 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | | | trans | -83.3 | 88.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | S11 | A9-S11 PolarHBondContact O-N 3.13Š|
| 10 | S | 51.1 | Low | 50 | Low | 120 Ų | 120 | 129.8 Ų | 129.8 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | | | trans | -60.8 | 109 | 150.1 | 171 | 0 | 0 | 0 | 0 | 108.7 | P8 | P8-S10 PolarHBondContact O-N 3.48Å; P8-S10 VanDerWaalsContact O-N 3.17Å |
| 11 | S | 47.2 | Very low | 50.5 | Low | 121 Ų | 121 | 129.4 Ų | 129.4 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | trans | -155 | 95 | 163 | -143.9 | 0 | 0 | 0 | 0 | 105.3 | A9 | A9-S11 PolarHBondContact O-N 3.13Š|
| 12 | G | 45.2 | Very low | 51.4 | Low | 66 Ų | 66 | 123.1 Ų | 123.1 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | | | | 113.2 | 82.4 | 72.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | S14 | G12-S14 PolarHBondContact O-N 3.01Š|
| 13 | A | 52.3 | Low | 52.1 | Low | 71 Ų | 71 | 122.1 Ų | 122.1 | 59% | 0.587 | 76% | 0.759 | S | S | * | * | | | trans | 35.2 | 81.3 | 152.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | R15 | A13-R15 PolarHBondContact O-N 3.33Š|
| 14 | S | 52.1 | Low | 52.6 | Low | 110 Ų | 110 | 119 Ų | 119 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | | | trans | -95.9 | 61.8 | 150.4 | 52.1 | 0 | 0 | 0 | 0 | 109.7 | G12 N16 | G12-S14 PolarHBondContact O-N 3.01Å; S14-N16 PolarHBondContact O-N 3.18Å |
| 15 | R | 56.9 | Low | 53.1 | Low | 178 Ų | 178 | 119.3 Ų | 119.3 | 67% | 0.672 | 75% | 0.753 | S | S | * | * | | | trans | -53.2 | 103.1 | 157.8 | 51.9 | 177.1 | -176.5 | -93.1 | -7.7 | 107.4 | A13 V17 | A13-R15 PolarHBondContact O-N 3.33Å; R15-V17 HydrophobicContact CB-CG2 3.53Å; R15-V17 HydrophobicContact CG-CG2 3.63Å; R15-V17 PolarHBondContact O-N 3.38Å |
| 16 | N | 56.3 | Low | 53.2 | Low | 160 Ų | 160 | 118.8 Ų | 118.8 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | | | trans | -70.9 | 66.1 | 161 | -73.4 | -40.1 | 0 | 0 | 0 | 107.5 | S14 V18 | S14-N16 PolarHBondContact O-N 3.18Å; N16-V18 VanDerWaalsContact C-N 3.32Å; N16-V18 PolarHBondContact O-N 3.19Å; N16-V18 VanDerWaalsContact O-N 3.14Å |
| 17 | V | 50.8 | Low | 53.3 | Low | 90 Ų | 90 | 122.1 Ų | 122.1 | 55% | 0.545 | 76% | 0.761 | S | S | . | * | | | trans | -74.4 | 99.2 | 162.2 | -154 | 0 | 0 | 0 | 0 | 103.4 | R15 R19 | R15-V17 HydrophobicContact CB-CG2 3.53Å; R15-V17 HydrophobicContact CG-CG2 3.63Å; R15-V17 PolarHBondContact O-N 3.38Å; V17-R19 PolarHBondContact O-N 3.11Å |
| 18 | V | 52.5 | Low | 53 | Low | 128 Ų | 128 | 124.2 Ų | 124.2 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | -58.5 | 98.1 | 151.4 | 170.2 | 0 | 0 | 0 | 0 | 104.1 | N16 S20 | N16-V18 VanDerWaalsContact C-N 3.32Å; N16-V18 PolarHBondContact O-N 3.19Å; N16-V18 VanDerWaalsContact O-N 3.14Å; V18-S20 VanDerWaalsContact C-N 3.34Å; V18-S20 PolarHBondContact O-N 3.4Å |
| 19 | R | 57.4 | Low | 52.8 | Low | 211 Ų | 211 | 121.4 Ų | 121.4 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | | | trans | -55.5 | 103.5 | 172.5 | -70.9 | -179.3 | 166.6 | 111.7 | -6.8 | 105.2 | V17 S21 | V17-R19 PolarHBondContact O-N 3.11Å; R19-S21 PolarHBondContact O-N 3.22Å |
| 20 | S | 51.7 | Low | 53 | Low | 113 Ų | 113 | 122.5 Ų | 122.5 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | | | trans | -58.8 | 116.1 | 170.6 | -54.5 | 0 | 0 | 0 | 0 | 106.6 | V18 S22 | V18-S20 VanDerWaalsContact C-N 3.34Å; V18-S20 PolarHBondContact O-N 3.4Å; S20-S22 PolarHBondContact O-N 3.49Å |
| 21 | S | 60.6 | Low | 52.6 | Low | 122 Ų | 122 | 124.7 Ų | 124.7 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | | | trans | -60.8 | 102.7 | 167.3 | -56.4 | 0 | 0 | 0 | 0 | 107 | R19 I23 | R19-S21 PolarHBondContact O-N 3.22Å; S21-I23 PolarHBondContact O-N 3.27Å; S21-I23 VanDerWaalsContact O-N 3.15Å |
| 22 | S | 58.5 | Low | 52.5 | Low | 105 Ų | 105 | 126.8 Ų | 126.8 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | | | trans | -66.5 | 109.7 | 164.9 | -179.7 | 0 | 0 | 0 | 0 | 106.6 | S20 S24 | S20-S22 PolarHBondContact O-N 3.49Å; S22-S24 PolarHBondContact O-N 3.3Å |
| 23 | I | 57.9 | Low | 52.5 | Low | 166 Ų | 166 | 128.4 Ų | 128.4 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | | | trans | -73.9 | 91.8 | 158.4 | -172.9 | 141.5 | 0 | 0 | 0 | 106.3 | S21 G25 | S21-I23 PolarHBondContact O-N 3.27Å; S21-I23 VanDerWaalsContact O-N 3.15Å; I23-G25 PolarHBondContact O-N 3.42Å |
| 24 | S | 56.6 | Low | 51.9 | Low | 97 Ų | 97 | 128.7 Ų | 128.7 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | | | trans | -62.6 | 91.5 | 166 | 178.2 | 0 | 0 | 0 | 0 | 107.3 | S22 E26 | S22-S24 PolarHBondContact O-N 3.3Å; S24-E26 VanDerWaalsContact C-N 3.32Å; S24-E26 PolarHBondContact O-N 3.02Å |
| 25 | G | 55.4 | Low | 51.5 | Low | 58 Ų | 58 | 127.8 Ų | 127.8 | 60% | 0.598 | 78% | 0.778 | S | S | * | * | | | trans | -69.5 | 96 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | I23 I27 | I23-G25 PolarHBondContact O-N 3.42Å; G25-I27 PolarHBondContact O-N 2.7Å |
| 26 | E | 53.8 | Low | 50.8 | Low | 167 Ų | 167 | 123 Ų | 123 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | | | trans | -42.6 | 107.4 | 161.5 | 57.1 | -162.2 | 96.4 | 0 | 0 | 110.1 | S24 C28 | S24-E26 VanDerWaalsContact C-N 3.32Å; S24-E26 PolarHBondContact O-N 3.02Å; E26-C28 PolarHBondContact O-N 3.12Å; E26-C28 VanDerWaalsContact O-N 3.14Å |
| 27 | I | 59.1 | Low | 50.8 | Low | 178 Ų | 178 | 120.9 Ų | 120.9 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | | | trans | -83.7 | 61.6 | 161.4 | 45.9 | 157.4 | 0 | 0 | 0 | 107.6 | G25 | G25-I27 PolarHBondContact O-N 2.7Š|
| 28 | C | 44.1 | Very low | 50.4 | Low | 113 Ų | 113 | 119.9 Ų | 119.9 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | | | trans | -105.6 | 112.7 | 170.4 | -155.4 | 0 | 0 | 0 | 0 | 109.7 | E26 | E26-C28 PolarHBondContact O-N 3.12Å; E26-C28 VanDerWaalsContact O-N 3.14Å |
| 29 | G | 46 | Very low | 50.6 | Low | 72 Ų | 72 | 120.5 Ų | 120.5 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | | | trans | 91.2 | 87.5 | 149.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 30 | S | 46.5 | Very low | 50.1 | Low | 126 Ų | 126 | 116.4 Ų | 116.4 | 88% | 0.881 | 80% | 0.8 | S | S | * | * | | | | -147.5 | 87.2 | 118.7 | -165.1 | 0 | 0 | 0 | 0 | 109.8 | Q32 | S30-Q32 PolarHBondContact O-N 3.23Š|
| 31 | Q | 44.4 | Very low | 49.8 | Very low | 167 Ų | 167 | 116.9 Ų | 116.9 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | | | trans | -43.6 | 118.3 | 150 | 175.1 | 130.9 | 33.1 | 0 | 0 | 110.4 | | |
| 32 | Q | 44.2 | Very low | 49.5 | Very low | 164 Ų | 164 | 116.2 Ų | 116.2 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 52.4 | 122.9 | 139.3 | -160.2 | 171.5 | 80.3 | 0 | 0 | 119.7 | S30 | S30-Q32 PolarHBondContact O-N 3.23Š|
| 33 | A | 44.9 | Very low | 48.9 | Very low | 101 Ų | 101 | 119.2 Ų | 119.2 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | | | trans | 63.7 | 121.6 | 143.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 34 | G | 39.3 | Very low | 48.9 | Very low | 76 Ų | 76 | 121.2 Ų | 121.2 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | | | trans | 156.8 | 107.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 35 | G | 44.7 | Very low | 49.6 | Very low | 91 Ų | 91 | 127.2 Ų | 127.2 | 94% | 0.938 | 81% | 0.81 | S | S | * | * | | | trans | -61 | 156 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 36 | G | 41.3 | Very low | 50.5 | Low | 79 Ų | 79 | 135.7 Ų | 135.7 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | | | trans | 156.5 | 116 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 37 | A | 56.4 | Low | 51.6 | Low | 115 Ų | 115 | 130.8 Ų | 130.8 | 95% | 0.95 | 81% | 0.808 | S | S | * | * | | | trans | -41.7 | 136.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 38 | G | 42.6 | Very low | 52.4 | Low | 69 Ų | 69 | 125.9 Ų | 125.9 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | | | trans | -155.4 | 90 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | T40 | G38-T40 PolarHBondContact O-N 3.09Š|
| 39 | T | 57.8 | Low | 53.9 | Low | 140 Ų | 140 | 127.2 Ų | 127.2 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | | | trans | -48.6 | 120.2 | 172.2 | 48.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 40 | T | 45.4 | Very low | 55.6 | Low | 125 Ų | 125 | 125.9 Ų | 125.9 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | | | trans | -151.8 | 111.2 | 150.2 | 49.1 | 0 | 0 | 0 | 0 | 110.5 | G38 | G38-T40 PolarHBondContact O-N 3.09Š|
| 41 | T | 47.2 | Very low | 57.2 | Low | 123 Ų | 123 | 122 Ų | 122 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | | | trans | 48 | 105 | 157.7 | 67.1 | 0 | 0 | 0 | 0 | 116.4 | K43 | T41-K43 PolarHBondContact O-N 3.42Š|
| 42 | A | 53.4 | Low | 58.9 | Low | 109 Ų | 109 | 119.2 Ų | 119.2 | 90% | 0.901 | 74% | 0.736 | S | S | * | * | | | trans | -64.8 | 68.1 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | K44 | A42-K44 VanDerWaalsContact C-N 3.34Å; A42-K44 PolarHBondContact O-N 3.36Å |
| 43 | K | 46 | Very low | 60.6 | Low | 168 Ų | 168 | 117.3 Ų | 117.3 | 73% | 0.73 | 73% | 0.729 | S | S | * | * | | | trans | -58 | 106.4 | 162 | -173.8 | 164.2 | -176.5 | 158.4 | 0 | 103.1 | T41 R45 | T41-K43 PolarHBondContact O-N 3.42Å; K43-R45 PolarHBondContact O-N 3.46Å |
| 44 | K | 57.2 | Low | 62.2 | Low | 208 Ų | 208 | 117.5 Ų | 117.5 | 90% | 0.904 | 72% | 0.719 | S | S | * | * | | | trans | -57.2 | 84.5 | 164.7 | -86.3 | -172.3 | 176.7 | -175.4 | 0 | 105.7 | A42 R46 | A42-K44 VanDerWaalsContact C-N 3.34Å; A42-K44 PolarHBondContact O-N 3.36Å; K44-R46 PolarHBondContact O-N 3.25Å |
| 45 | R | 70.8 | Confident | 63.8 | Low | 222 Ų | 222 | 117 Ų | 117 | 84% | 0.838 | 71% | 0.707 | S | S | * | * | | | trans | -60.2 | 108.8 | 173.4 | -72.3 | 175.9 | 72.3 | -178.4 | 2.9 | 102.7 | K43 S47 | K43-R45 PolarHBondContact O-N 3.46Å; R45-S47 PolarHBondContact O-N 2.84Å |
| 46 | R | 74.5 | Confident | 65 | Low | 236 Ų | 236 | 118.5 Ų | 118.5 | 89% | 0.891 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -49 | 120 | 170.3 | -150.5 | 171.2 | -169.8 | 172.2 | 0.8 | 104.8 | K44 S48 | K44-R46 PolarHBondContact O-N 3.25Å; R46-S48 PolarHBondContact O-N 2.84Å |
| 47 | S | 78.1 | Confident | 66.2 | Low | 64 Ų | 64 | 120 Ų | 120 | 45% | 0.448 | 69% | 0.686 | S | S | . | * | P | Polyproline II helix | trans | -49.5 | 130.1 | -178 | 32.8 | 0 | 0 | 0 | 0 | 108 | R45 K52 | R45-S47 PolarHBondContact O-N 2.84Å; S47-K52 VanDerWaalsContact OG-CG 3.25Å; S47-K52 WeakPolarHBondContact OG-CG 3.1Å |
| 48 | S | 76.6 | Confident | 66.5 | Low | 75 Ų | 75 | 117.5 Ų | 117.5 | 52% | 0.524 | 67% | 0.671 | S | S | . | * | P | Polyproline II helix | trans | -55.9 | 151.6 | 179.6 | 62.2 | 0 | 0 | 0 | 0 | 109 | R46 G50 A51 K52 | R46-S48 PolarHBondContact O-N 2.84Å; S48-G50 PolarHBondContact O-N 3.18Å; S48-G50 VanDerWaalsContact O-N 3.14Å; S48-A51 CarbonylContact O-C 3.58Å; S48-A51 WeakPolarHBondContact O-CA 3.2Å; S48-A51 WeakPolarHBondContact O-CB 3.06Å; S48-A51 PolarHBondContact O-N 2.97Å; S48-A51 VanDerWaalsContact OG-CB 3.31Å; S48-A51 WeakPolarHBondContact OG-CB 3.41Å; S48-A51 PolarHBondContact OG-N 3.27Å; S48-A51 VanDerWaalsContact OG-N 3.11Å; S48-K52 PolarHBondContact O-N 3.08Å |
| 49 | L | 73.6 | Confident | 67.3 | Low | 141 Ų | 141 | 121.1 Ų | 121.1 | 74% | 0.738 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -51.5 | -39.8 | 177.4 | -174.1 | 71 | 0 | 0 | 0 | 111.1 | K52 M53 | L49-K52 PolarHBondContact O-N 3.14Å; L49-M53 VanDerWaalsContact O-CG 3.22Å; L49-M53 WeakPolarHBondContact O-CG 3.47Å; L49-M53 PolarHBondContact O-N 3.09Å |
| 50 | G | 83.3 | Confident | 67.5 | Low | 44 Ų | 44 | 120.3 Ų | 120.3 | 45% | 0.454 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -59.3 | -47.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S48 K52 M53 V54 | S48-G50 PolarHBondContact O-N 3.18Å; S48-G50 VanDerWaalsContact O-N 3.14Å; G50-K52 VanDerWaalsContact C-N 3.29Å; G50-K52 PolarHBondContact O-N 3.34Å; G50-M53 PolarHBondContact O-N 3Å; G50-V54 VanDerWaalsContact O-CG2 3.29Å; G50-V54 WeakPolarHBondContact O-CG2 3.49Å; G50-V54 PolarHBondContact O-N 2.88Å |
| 51 | A | 79.6 | Confident | 68 | Low | 46 Ų | 46 | 123.1 Ų | 123.1 | 38% | 0.38 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -62.6 | -34.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S48 A55 | S48-A51 CarbonylContact O-C 3.58Å; S48-A51 WeakPolarHBondContact O-CA 3.2Å; S48-A51 WeakPolarHBondContact O-CB 3.06Å; S48-A51 PolarHBondContact O-N 2.97Å; S48-A51 VanDerWaalsContact OG-CB 3.31Å; S48-A51 WeakPolarHBondContact OG-CB 3.41Å; S48-A51 PolarHBondContact OG-N 3.27Å; S48-A51 VanDerWaalsContact OG-N 3.11Å; A51-A55 WeakPolarHBondContact O-CB 3.47Å; A51-A55 PolarHBondContact O-N 2.95Å |
| 52 | K | 80.4 | Confident | 68.1 | Low | 108 Ų | 108 | 126.6 Ų | 126.6 | 47% | 0.47 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -71 | -39.9 | 175.6 | -64.1 | -178.7 | 77 | -170.4 | 0 | 111.8 | S47 S48 L49 G50 A55 I56 | S47-K52 VanDerWaalsContact OG-CG 3.25Å; S47-K52 WeakPolarHBondContact OG-CG 3.1Å; S48-K52 PolarHBondContact O-N 3.08Å; L49-K52 PolarHBondContact O-N 3.14Å; G50-K52 VanDerWaalsContact C-N 3.29Å; G50-K52 PolarHBondContact O-N 3.34Å; K52-A55 PolarHBondContact O-N 2.8Å; K52-I56 WeakPolarHBondContact O-CD1 3.36Å; K52-I56 VanDerWaalsContact O-CG1 3.3Å; K52-I56 WeakPolarHBondContact O-CG1 3.29Å; K52-I56 PolarHBondContact O-N 3.04Å |
| 53 | M | 80.3 | Confident | 68.3 | Low | 124 Ų | 124 | 127.2 Ų | 127.2 | 61% | 0.611 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -66.2 | -42.2 | 175.8 | -69.7 | -113.2 | -77.1 | 0 | 0 | 111.7 | L49 G50 A55 I56 V57 | L49-M53 VanDerWaalsContact O-CG 3.22Å; L49-M53 WeakPolarHBondContact O-CG 3.47Å; L49-M53 PolarHBondContact O-N 3.09Å; G50-M53 PolarHBondContact O-N 3Å; M53-A55 VanDerWaalsContact C-N 3.35Å; M53-A55 PolarHBondContact O-N 2.87Å; M53-I56 PolarHBondContact O-N 3.42Å; M53-V57 WeakPolarHBondContact O-CB 3.47Å; M53-V57 WeakPolarHBondContact O-CG2 3.3Å; M53-V57 PolarHBondContact O-N 3.37Å |
| 54 | V | 78.1 | Confident | 68.5 | Low | 105 Ų | 105 | 126.7 Ų | 126.7 | 64% | 0.636 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -62.6 | -40.7 | 174.7 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | G50 I56 V57 G58 | G50-V54 VanDerWaalsContact O-CG2 3.29Å; G50-V54 WeakPolarHBondContact O-CG2 3.49Å; G50-V54 PolarHBondContact O-N 2.88Å; V54-I56 VanDerWaalsContact C-N 3.27Å; V54-I56 PolarHBondContact O-N 3Å; V54-V57 PolarHBondContact O-N 3.06Å; V54-G58 PolarHBondContact O-N 2.98Å |
| 55 | A | 73.6 | Confident | 67.8 | Low | 65 Ų | 65 | 122.5 Ų | 122.5 | 54% | 0.537 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -64.2 | -30.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A51 K52 M53 | A51-A55 WeakPolarHBondContact O-CB 3.47Å; A51-A55 PolarHBondContact O-N 2.95Å; K52-A55 PolarHBondContact O-N 2.8Å; M53-A55 VanDerWaalsContact C-N 3.35Å; M53-A55 PolarHBondContact O-N 2.87Å |
| 56 | I | 69.8 | Low | 66.9 | Low | 123 Ų | 123 | 117 Ų | 117 | 63% | 0.631 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -80.1 | -43.5 | 175.6 | -65.1 | 163.9 | 0 | 0 | 0 | 110.8 | K52 M53 V54 G58 L59 | K52-I56 WeakPolarHBondContact O-CD1 3.36Å; K52-I56 VanDerWaalsContact O-CG1 3.3Å; K52-I56 WeakPolarHBondContact O-CG1 3.29Å; K52-I56 PolarHBondContact O-N 3.04Å; M53-I56 PolarHBondContact O-N 3.42Å; V54-I56 VanDerWaalsContact C-N 3.27Å; V54-I56 PolarHBondContact O-N 3Å; I56-G58 PolarHBondContact O-N 2.93Å; I56-L59 PolarHBondContact O-N 3.49Å |
| 57 | V | 66.3 | Low | 65.8 | Low | 110 Ų | 110 | 112.7 Ų | 112.7 | 67% | 0.667 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -60.6 | -34 | 176.1 | 159.9 | 0 | 0 | 0 | 0 | 111.5 | M53 V54 L59 T60 | M53-V57 WeakPolarHBondContact O-CB 3.47Å; M53-V57 WeakPolarHBondContact O-CG2 3.3Å; M53-V57 PolarHBondContact O-N 3.37Å; V54-V57 PolarHBondContact O-N 3.06Å; V57-L59 VanDerWaalsContact C-N 3.32Å; V57-T60 PolarHBondContact O-OG1 2.91Å |
| 58 | G | 61.9 | Low | 64.3 | Low | 62 Ų | 62 | 118.6 Ų | 118.6 | 64% | 0.639 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -8.3 | 174 | 0 | 0 | 0 | 0 | 0 | 115.2 | V54 I56 T60 | V54-G58 PolarHBondContact O-N 2.98Å; I56-G58 PolarHBondContact O-N 2.93Å; G58-T60 VanDerWaalsContact C-N 3.31Å |
| 59 | L | 59.3 | Low | 62.6 | Low | 146 Ų | 146 | 122 Ų | 122 | 76% | 0.764 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | 17.7 | 179.3 | -148.2 | 74.3 | 0 | 0 | 0 | 112.8 | I56 V57 Q61 | I56-L59 PolarHBondContact O-N 3.49Å; V57-L59 VanDerWaalsContact C-N 3.32Å; L59-Q61 PolarHBondContact O-N 3.47Å; L59-Q61 VanDerWaalsContact O-N 3.14Å |
| 60 | T | 62.3 | Low | 61.1 | Low | 123 Ų | 123 | 120.7 Ų | 120.7 | 76% | 0.755 | 68% | 0.681 | S | S | * | * | | | trans | -78 | 19.1 | 174.1 | 53.8 | 0 | 0 | 0 | 0 | 113.8 | V57 G58 W62 | V57-T60 PolarHBondContact O-OG1 2.91Å; G58-T60 VanDerWaalsContact C-N 3.31Å; T60-W62 VanDerWaalsContact C-N 3.33Å; T60-W62 PolarHBondContact O-N 3.38Å; T60-W62 VanDerWaalsContact O-N 3.09Å |
| 61 | Q | 55.9 | Low | 59.6 | Low | 183 Ų | 183 | 127.2 Ų | 127.2 | 86% | 0.855 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -85.1 | 81 | 169.6 | -166.4 | 172.5 | -47.7 | 0 | 0 | 110.2 | L59 | L59-Q61 PolarHBondContact O-N 3.47Å; L59-Q61 VanDerWaalsContact O-N 3.14Å |
| 62 | W | 49.8 | Very low | 57.7 | Low | 196 Ų | 196 | 130.6 Ų | 130.6 | 74% | 0.742 | 72% | 0.718 | S | S | * | * | | | trans | 36.2 | 99.4 | 152.2 | -166.8 | -65.1 | 0 | 0 | 0 | 116.4 | T60 K64 | T60-W62 VanDerWaalsContact C-N 3.33Å; T60-W62 PolarHBondContact O-N 3.38Å; T60-W62 VanDerWaalsContact O-N 3.09Å; W62-K64 HydrophobicContact CG-CG 4.37Å; W62-K64 PolarHBondContact O-N 2.76Å |
| 63 | S | 57.4 | Low | 55.9 | Low | 122 Ų | 122 | 133.7 Ų | 133.7 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | | | trans | -74.3 | 99.8 | 157.3 | -68.6 | 0 | 0 | 0 | 0 | 109.2 | S65 | S63-S65 VanDerWaalsContact C-N 3.31Å; S63-S65 PolarHBondContact O-N 3.5Å |
| 64 | K | 49.8 | Very low | 54.6 | Low | 158 Ų | 158 | 130.9 Ų | 130.9 | 69% | 0.687 | 74% | 0.737 | S | S | * | * | | | trans | -70.9 | 89.1 | 166.2 | -86.7 | -166.6 | 171.4 | -179.1 | 0 | 107.1 | W62 T66 | W62-K64 HydrophobicContact CG-CG 4.37Å; W62-K64 PolarHBondContact O-N 2.76Å; K64-T66 VanDerWaalsContact C-N 3.26Å; K64-T66 HydrophobicContact CB-CG2 3.91Å; K64-T66 PolarHBondContact O-N 3.36Å |
| 65 | S | 43.5 | Very low | 52.9 | Low | 120 Ų | 120 | 130.2 Ų | 130.2 | 84% | 0.839 | 74% | 0.743 | S | S | * | * | | | trans | -69.7 | 88.1 | 162.7 | -171.7 | 0 | 0 | 0 | 0 | 108 | S63 | S63-S65 VanDerWaalsContact C-N 3.31Å; S63-S65 PolarHBondContact O-N 3.5Å |
| 66 | T | 50.9 | Low | 52.1 | Low | 105 Ų | 105 | 133.9 Ų | 133.9 | 64% | 0.644 | 76% | 0.759 | S | S | * | * | | | trans | -96.3 | 88.2 | 172.4 | 73.6 | 0 | 0 | 0 | 0 | 108.7 | K64 | K64-T66 VanDerWaalsContact C-N 3.26Å; K64-T66 HydrophobicContact CB-CG2 3.91Å; K64-T66 PolarHBondContact O-N 3.36Å |
| 67 | L | 52.5 | Low | 51.3 | Low | 146 Ų | 146 | 137.1 Ų | 137.1 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | | | trans | -138.4 | 60.7 | 156.4 | -71 | 177.7 | 0 | 0 | 0 | 108.7 | L69 | L67-L69 HydrophobicContact CD2-CD2 4.24Š|
| 68 | Q | 45.4 | Very low | 51 | Low | 188 Ų | 188 | 141.8 Ų | 141.8 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | | | trans | -72.3 | 116.9 | 135.9 | -68.6 | -175.7 | 6.9 | 0 | 0 | 104.3 | P70 | Q68-P70 WeakPolarHBondContact O-CD 3.31Š|
| 69 | L | 41.6 | Very low | 50.7 | Low | 147 Ų | 147 | 146.6 Ų | 146.6 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | trans | -81.9 | 109.7 | 175 | -66.1 | 164.6 | 0 | 0 | 0 | 107.8 | L67 | L67-L69 HydrophobicContact CD2-CD2 4.24Š|
| 70 | P | 42.5 | Very low | 50.6 | Low | 113 Ų | 113 | 149.9 Ų | 149.9 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | | | trans | -77.9 | 116.6 | 151.2 | 3.8 | 16.1 | 0 | 0 | 0 | 105.8 | Q68 P72 | Q68-P70 WeakPolarHBondContact O-CD 3.31Å; P70-P72 WeakPolarHBondContact O-CD 3.22Å |
| 71 | Q | 49.9 | Very low | 50.3 | Low | 181 Ų | 181 | 147.7 Ų | 147.7 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | | | trans | -55.8 | 117.5 | 162.4 | 177 | -174.6 | 20.5 | 0 | 0 | 108.7 | | |
| 72 | P | 41 | Very low | 50.4 | Low | 117 Ų | 117 | 145.5 Ų | 145.5 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | trans | -99.6 | 112.4 | 158.7 | 8.4 | 15.4 | 0 | 0 | 0 | 106.7 | P70 | P70-P72 WeakPolarHBondContact O-CD 3.22Š|
| 73 | E | 43.2 | Very low | 50.7 | Low | 174 Ų | 174 | 141.9 Ų | 141.9 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | | | trans | -48.6 | 138.5 | 163.2 | -161.8 | -92.5 | 157 | 0 | 0 | 110.1 | | |
| 74 | G | 51.6 | Low | 51 | Low | 65 Ų | 65 | 146.7 Ų | 146.7 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | | | trans | 74.6 | 84.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 75 | A | 43.6 | Very low | 51.3 | Low | 91 Ų | 91 | 149.3 Ų | 149.3 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | | | trans | -171.9 | 112.9 | 141.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | K77 | A75-K77 PolarHBondContact O-N 3.21Å; A75-K77 VanDerWaalsContact O-N 3.08Å |
| 76 | T | 55.5 | Low | 52.2 | Low | 142 Ų | 142 | 149.1 Ų | 149.1 | 87% | 0.871 | 77% | 0.774 | S | S | * | * | | | trans | -57.2 | 95.7 | 170.2 | 42.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 77 | K | 53.6 | Low | 52.6 | Low | 190 Ų | 190 | 149.4 Ų | 149.4 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | | | trans | -140.7 | 99.5 | 156.3 | -60.9 | -174.7 | -173.6 | 177.5 | 0 | 109.6 | A75 L79 | A75-K77 PolarHBondContact O-N 3.21Å; A75-K77 VanDerWaalsContact O-N 3.08Å; K77-L79 PolarHBondContact O-N 3.17Å |
| 78 | K | 59.2 | Low | 53.2 | Low | 209 Ų | 209 | 151.3 Ų | 151.3 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | | | trans | -58.9 | 87.8 | 167.3 | -57 | 176.7 | -177 | -179.3 | 0 | 107.8 | R80 | K78-R80 PolarHBondContact O-N 2.8Š|
| 79 | L | 55.8 | Low | 53.9 | Low | 162 Ų | 162 | 148.1 Ų | 148.1 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | | | trans | -75.4 | 80.3 | 159.7 | -169.8 | 64.7 | 0 | 0 | 0 | 105.7 | K77 S81 | K77-L79 PolarHBondContact O-N 3.17Å; L79-S81 PolarHBondContact O-N 2.89Å |
| 80 | R | 57.3 | Low | 54.9 | Low | 215 Ų | 215 | 143.6 Ų | 143.6 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | | | trans | -52.3 | 100.7 | 162.4 | -179.6 | 176.8 | -175.6 | -172.9 | 1.7 | 104.7 | K78 N82 | K78-R80 PolarHBondContact O-N 2.8Å; R80-N82 VanDerWaalsContact C-N 3.29Å; R80-N82 PolarHBondContact O-N 2.78Å |
| 81 | S | 55.6 | Low | 55.6 | Low | 78 Ų | 78 | 145.3 Ų | 145.3 | 55% | 0.545 | 76% | 0.764 | S | S | . | * | | | trans | -61.8 | 99 | 178.7 | 60.4 | 0 | 0 | 0 | 0 | 106.1 | L79 I83 | L79-S81 PolarHBondContact O-N 2.89Å; S81-I83 PolarHBondContact O-N 3.14Å |
| 82 | N | 59.4 | Low | 56.1 | Low | 136 Ų | 136 | 140.6 Ų | 140.6 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | | | trans | -76.9 | 45.3 | 167.6 | -141.8 | -48.7 | 0 | 0 | 0 | 108.5 | R80 R84 | R80-N82 VanDerWaalsContact C-N 3.29Å; R80-N82 PolarHBondContact O-N 2.78Å; N82-R84 PolarHBondContact O-N 3.11Å |
| 83 | I | 56.3 | Low | 56.9 | Low | 121 Ų | 121 | 140.2 Ų | 140.2 | 62% | 0.621 | 75% | 0.751 | S | S | * | * | | | trans | -69.5 | 93.5 | 164.7 | -62.5 | 165 | 0 | 0 | 0 | 102.9 | S81 R85 | S81-I83 PolarHBondContact O-N 3.14Å; I83-R85 HydrophobicContact CG2-CB 4.42Å; I83-R85 HydrophobicContact CG2-CG 3.69Å; I83-R85 PolarHBondContact O-N 2.93Å |
| 84 | R | 62.9 | Low | 57.7 | Low | 222 Ų | 222 | 139.9 Ų | 139.9 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | | | trans | -58.8 | 88.9 | 148.7 | -78.5 | 174.1 | 72.2 | -173.5 | 3 | 104.3 | N82 S86 | N82-R84 PolarHBondContact O-N 3.11Å; R84-S86 PolarHBondContact O-N 3.37Å |
| 85 | R | 55.3 | Low | 57.9 | Low | 214 Ų | 214 | 145.5 Ų | 145.5 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | | | trans | -55.1 | 115.2 | 168.6 | -64.7 | 177.1 | 94.4 | 178.1 | 5.6 | 102.7 | I83 T87 | I83-R85 HydrophobicContact CG2-CB 4.42Å; I83-R85 HydrophobicContact CG2-CG 3.69Å; I83-R85 PolarHBondContact O-N 2.93Å; R85-T87 PolarHBondContact O-N 3.31Å |
| 86 | S | 62.5 | Low | 58.6 | Low | 116 Ų | 116 | 152.1 Ų | 152.1 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | | | trans | -46.8 | 111.8 | 176.7 | -42.3 | 0 | 0 | 0 | 0 | 106.2 | R84 E88 | R84-S86 PolarHBondContact O-N 3.37Å; S86-E88 PolarHBondContact O-N 2.88Å; S86-E88 VanDerWaalsContact O-N 3.16Å |
| 87 | T | 60 | Low | 58.9 | Low | 111 Ų | 111 | 149.8 Ų | 149.8 | 68% | 0.681 | 76% | 0.756 | S | S | * | * | | | trans | -51.9 | 122.5 | 164.9 | 45.9 | 0 | 0 | 0 | 0 | 104.9 | R85 T89 | R85-T87 PolarHBondContact O-N 3.31Å; T87-T89 VanDerWaalsContact C-N 3.31Å; T87-T89 PolarHBondContact O-N 3.24Å; T87-T89 PolarHBondContact O-OG1 2.86Å |
| 88 | E | 65.2 | Low | 59.1 | Low | 186 Ų | 186 | 151.2 Ų | 151.2 | 87% | 0.869 | 76% | 0.756 | S | S | * | * | | | trans | -47.4 | 95 | 175.8 | -179.3 | -174.4 | 155.2 | 0 | 0 | 109.1 | S86 G90 | S86-E88 PolarHBondContact O-N 2.88Å; S86-E88 VanDerWaalsContact O-N 3.16Å; E88-G90 PolarHBondContact O-N 3.25Å |
| 89 | T | 59.7 | Low | 58.9 | Low | 121 Ų | 121 | 147.8 Ų | 147.8 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | | | trans | -100.4 | 88.5 | -175.8 | -41.6 | 0 | 0 | 0 | 0 | 106.9 | T87 | T87-T89 VanDerWaalsContact C-N 3.31Å; T87-T89 PolarHBondContact O-N 3.24Å; T87-T89 PolarHBondContact O-OG1 2.86Å |
| 90 | G | 63.2 | Low | 58.9 | Low | 52 Ų | 52 | 145.7 Ų | 145.7 | 54% | 0.536 | 75% | 0.746 | S | S | . | * | S | Bend | trans | 68.5 | 51.4 | 132.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | E88 | E88-G90 PolarHBondContact O-N 3.25Š|
| 91 | I | 58 | Low | 58.8 | Low | 148 Ų | 148 | 146.6 Ų | 146.6 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -115.5 | -5.4 | 159.8 | -46.2 | -74.9 | 0 | 0 | 0 | 112 | | |
| 92 | A | 59.7 | Low | 58.5 | Low | 82 Ų | 82 | 151.3 Ų | 151.3 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -97.2 | 14.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 93 | V | 56.8 | Low | 58.6 | Low | 109 Ų | 109 | 148 Ų | 148 | 66% | 0.661 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -107.4 | -12.4 | 178.2 | 147.8 | 0 | 0 | 0 | 0 | 113.6 | M95 | V93-M95 VanDerWaalsContact C-N 3.33Š|
| 94 | E | 61.2 | Low | 58.4 | Low | 168 Ų | 168 | 147.3 Ų | 147.3 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -82.7 | -11.3 | 174.8 | -69.8 | -173 | 152.7 | 0 | 0 | 113.4 | R96 | E94-R96 PolarHBondContact O-N 3.15Š|
| 95 | M | 55.2 | Low | 58.1 | Low | 183 Ų | 183 | 146.6 Ų | 146.6 | 90% | 0.901 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -83 | 17.2 | 171.5 | -66.6 | -165 | 70.9 | 0 | 0 | 113.6 | V93 | V93-M95 VanDerWaalsContact C-N 3.33Š|
| 96 | R | 59.3 | Low | 58 | Low | 230 Ų | 230 | 143.1 Ų | 143.1 | 87% | 0.868 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -109.7 | 11.3 | 179.3 | -133.1 | 174.3 | -177.5 | 161.2 | 0.3 | 115 | E94 | E94-R96 PolarHBondContact O-N 3.15Š|
| 97 | S | 60 | Low | 57.7 | Low | 93 Ų | 93 | 142.5 Ų | 142.5 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -152.6 | 124 | 177.9 | -167 | 0 | 0 | 0 | 0 | 113.6 | | |
| 98 | R | 59 | Low | 57.2 | Low | 220 Ų | 220 | 143.5 Ų | 143.5 | 83% | 0.83 | 76% | 0.759 | S | S | * | * | | | trans | 92 | 45.8 | 179.6 | -62.5 | -176.2 | -102.9 | -105.3 | -0.6 | 118.8 | T100 | R98-T100 VanDerWaalsContact C-N 3.31Š|
| 99 | V | 54.4 | Low | 56.8 | Low | 136 Ų | 136 | 142.5 Ų | 142.5 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | | | | -94.3 | 80.3 | 126 | 171.4 | 0 | 0 | 0 | 0 | 106 | R101 | V99-R101 PolarHBondContact O-N 3.48Š|
| 100 | T | 55.7 | Low | 56.8 | Low | 118 Ų | 118 | 140 Ų | 140 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | | | trans | -64.4 | 116.1 | 148.5 | 2.1 | 0 | 0 | 0 | 0 | 103.8 | R98 Q102 | R98-T100 VanDerWaalsContact C-N 3.31Å; T100-Q102 PolarHBondContact O-N 3.3Å |
| 101 | R | 56.4 | Low | 56.3 | Low | 235 Ų | 235 | 142.5 Ų | 142.5 | 89% | 0.887 | 77% | 0.767 | S | S | * | * | | | trans | -49.9 | 98.7 | 166.5 | -72.9 | 172 | 159.4 | -93.3 | 0.4 | 106.5 | V99 G103 | V99-R101 PolarHBondContact O-N 3.48Å; R101-G103 PolarHBondContact O-N 2.98Å; R101-G103 VanDerWaalsContact O-N 3.1Å |
| 102 | Q | 47.7 | Very low | 56.3 | Low | 176 Ų | 176 | 142.3 Ų | 142.3 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | | | trans | -72.9 | 108.5 | 174.5 | -155.9 | -175.4 | -2.6 | 0 | 0 | 104.6 | T100 S104 | T100-Q102 PolarHBondContact O-N 3.3Å; Q102-S104 VanDerWaalsContact C-N 3.3Å; Q102-S104 PolarHBondContact O-N 2.92Å |
| 103 | G | 62.4 | Low | 55.9 | Low | 66 Ų | 66 | 145.1 Ų | 145.1 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | | | trans | -66.1 | 97.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | R101 R105 | R101-G103 PolarHBondContact O-N 2.98Å; R101-G103 VanDerWaalsContact O-N 3.1Å; G103-R105 PolarHBondContact O-N 3.29Å |
| 104 | S | 51.5 | Low | 55.5 | Low | 107 Ų | 107 | 145.8 Ų | 145.8 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | trans | -76.7 | 67.8 | 160.9 | 32.8 | 0 | 0 | 0 | 0 | 108.6 | Q102 | Q102-S104 VanDerWaalsContact C-N 3.3Å; Q102-S104 PolarHBondContact O-N 2.92Å |
| 105 | R | 56.9 | Low | 55.2 | Low | 208 Ų | 208 | 145 Ų | 145 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | -98 | 111.2 | 148.6 | -151.8 | -160 | 155.2 | 171.2 | -4.5 | 101.5 | G103 | G103-R105 PolarHBondContact O-N 3.29Š|
| 106 | E | 53.7 | Low | 55 | Low | 141 Ų | 141 | 140.4 Ų | 140.4 | 66% | 0.659 | 77% | 0.773 | S | S | * | * | | | cis | -139.1 | 115.8 | 32.3 | -94.5 | 69.2 | -160.4 | 0 | 0 | 108.7 | | |
| 107 | S | 55.1 | Low | 55 | Low | 102 Ų | 102 | 135.3 Ų | 135.3 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | | | trans | -104.1 | 96.6 | 158.9 | 49.9 | 0 | 0 | 0 | 0 | 108 | | |
| 108 | T | 50.7 | Low | 54.5 | Low | 133 Ų | 133 | 137.7 Ų | 137.7 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | | | trans | 33.3 | 102.8 | 149 | -31.7 | 0 | 0 | 0 | 0 | 117.1 | | |
| 109 | D | 56.8 | Low | 54.2 | Low | 165 Ų | 165 | 130.4 Ų | 130.4 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -4.1 | 120.9 | 143.8 | -173.2 | 16.4 | 0 | 0 | 0 | 116.5 | | |
| 110 | G | 59.3 | Low | 54.2 | Low | 68 Ų | 68 | 129.6 Ų | 129.6 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | | | trans | 102.4 | 52.6 | 149.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 111 | S | 51.8 | Low | 54 | Low | 105 Ų | 105 | 132.3 Ų | 132.3 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | | | trans | -135.3 | 83.1 | 150.1 | 65.5 | 0 | 0 | 0 | 0 | 112.3 | N113 | S111-N113 VanDerWaalsContact C-N 3.34Å; S111-N113 PolarHBondContact O-N 3.35Å; S111-N113 VanDerWaalsContact O-N 3.1Å |
| 112 | T | 59.5 | Low | 54.1 | Low | 143 Ų | 143 | 128 Ų | 128 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | | | trans | -73.3 | 87.7 | 162.9 | 47 | 0 | 0 | 0 | 0 | 109.4 | | |
| 113 | N | 51.3 | Low | 54 | Low | 141 Ų | 141 | 127.3 Ų | 127.3 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | | | trans | -174.8 | 61.2 | 148.9 | 58.3 | 8.4 | 0 | 0 | 0 | 113.3 | S111 N115 | S111-N113 VanDerWaalsContact C-N 3.34Å; S111-N113 PolarHBondContact O-N 3.35Å; S111-N113 VanDerWaalsContact O-N 3.1Å; N113-N115 PolarHBondContact O-N 3.21Å |
| 114 | S | 47.9 | Very low | 53.5 | Low | 123 Ų | 123 | 130.1 Ų | 130.1 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | | | trans | -82.8 | 105.6 | 154.5 | -66.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 115 | N | 55.3 | Low | 53.5 | Low | 153 Ų | 153 | 131.1 Ų | 131.1 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | trans | -142.2 | 132.2 | 154.7 | -152.7 | 37 | 0 | 0 | 0 | 111.8 | N113 | N113-N115 PolarHBondContact O-N 3.21Š|
| 116 | S | 50.4 | Low | 53.2 | Low | 85 Ų | 85 | 125.6 Ų | 125.6 | 59% | 0.594 | 75% | 0.754 | S | S | * | * | | | trans | 77.9 | 83.5 | 168.8 | -51.3 | 0 | 0 | 0 | 0 | 117.2 | D118 | S116-D118 PolarHBondContact O-N 3.02Š|
| 117 | S | 58.5 | Low | 53.2 | Low | 124 Ų | 124 | 130.1 Ų | 130.1 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | | | trans | -50.6 | 107.7 | 143.2 | 48.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 118 | D | 50.9 | Low | 53.1 | Low | 142 Ų | 142 | 131.5 Ų | 131.5 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | | | trans | -120.3 | 127.4 | 156.1 | -79.3 | -54.7 | 0 | 0 | 0 | 108.1 | S116 T120 | S116-D118 PolarHBondContact O-N 3.02Å; D118-T120 PolarHBondContact O-N 3.17Å |
| 119 | G | 51.1 | Low | 53.4 | Low | 67 Ų | 67 | 127.1 Ų | 127.1 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | | | trans | -40 | 117.2 | -163 | 0 | 0 | 0 | 0 | 0 | 115 | F121 | G119-F121 VanDerWaalsContact C-N 3.27Å; G119-F121 PolarHBondContact O-N 3.4Å |
| 120 | T | 55.3 | Low | 53.4 | Low | 119 Ų | 119 | 122.8 Ų | 122.8 | 73% | 0.73 | 73% | 0.732 | S | S | * | * | | | trans | -62.7 | 87.3 | 171.8 | -52.8 | 0 | 0 | 0 | 0 | 109.6 | D118 I122 | D118-T120 PolarHBondContact O-N 3.17Å; T120-I122 HydrophobicContact CG2-CD1 3.47Å; T120-I122 VanDerWaalsContact CG2-CD1 3.47Å; T120-I122 HydrophobicContact CG2-CG1 4.24Å; T120-I122 PolarHBondContact O-N 3.02Å |
| 121 | F | 51.4 | Low | 53.4 | Low | 176 Ų | 176 | 128 Ų | 128 | 77% | 0.772 | 74% | 0.738 | S | S | * | * | | | trans | -63.4 | 105.7 | 157.3 | -81.1 | -79.9 | 0 | 0 | 0 | 107.3 | G119 F123 | G119-F121 VanDerWaalsContact C-N 3.27Å; G119-F121 PolarHBondContact O-N 3.4Å; F121-F123 HydrophobicContact CB-CD2 4.26Å; F121-F123 HydrophobicContact CD1-CE2 4.3Å; F121-F123 PolarHBondContact O-N 2.79Å |
| 122 | I | 57.9 | Low | 53.9 | Low | 144 Ų | 144 | 126.5 Ų | 126.5 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | | | trans | -69.8 | 81 | 173.8 | -56 | -71.5 | 0 | 0 | 0 | 107.7 | T120 | T120-I122 HydrophobicContact CG2-CD1 3.47Å; T120-I122 VanDerWaalsContact CG2-CD1 3.47Å; T120-I122 HydrophobicContact CG2-CG1 4.24Å; T120-I122 PolarHBondContact O-N 3.02Å |
| 123 | F | 47 | Very low | 54.2 | Low | 162 Ų | 162 | 125.9 Ų | 125.9 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | | | trans | -131 | 133.3 | 160.7 | -69 | -74.8 | 0 | 0 | 0 | 108.1 | F121 T125 | F121-F123 HydrophobicContact CB-CD2 4.26Å; F121-F123 HydrophobicContact CD1-CE2 4.3Å; F121-F123 PolarHBondContact O-N 2.79Å; F123-T125 PolarHBondContact O-N 2.88Å |
| 124 | P | 51.5 | Low | 54.8 | Low | 124 Ų | 124 | 123.9 Ų | 123.9 | 81% | 0.805 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -65.2 | 107.1 | 176.9 | 27.1 | -30.5 | 0 | 0 | 0 | 108.8 | | |
| 125 | T | 50.7 | Low | 55.8 | Low | 129 Ų | 129 | 120.7 Ų | 120.7 | 79% | 0.791 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 43.3 | 86.4 | 153.8 | -50.3 | 0 | 0 | 0 | 0 | 116.4 | F123 | F123-T125 PolarHBondContact O-N 2.88Š|
| 126 | T | 52.1 | Low | 56.7 | Low | 92 Ų | 92 | 118.9 Ų | 118.9 | 56% | 0.564 | 67% | 0.668 | S | S | * | * | | | trans | -140.5 | 65.9 | 145.1 | 41.4 | 0 | 0 | 0 | 0 | 108.5 | L128 | T126-L128 VanDerWaalsContact C-N 3.27Å; T126-L128 PolarHBondContact O-N 2.91Å; T126-L128 VanDerWaalsContact O-N 3.08Å |
| 127 | R | 53.8 | Low | 57.8 | Low | 236 Ų | 236 | 118 Ų | 118 | 89% | 0.891 | 65% | 0.653 | S | S | * | * | | | trans | -72.1 | 96.6 | 155.5 | -72.4 | -167.1 | -164 | -96 | 3.1 | 105.4 | G129 | R127-G129 PolarHBondContact O-N 3.33Š|
| 128 | L | 53.1 | Low | 58.5 | Low | 131 Ų | 131 | 115.9 Ų | 115.9 | 69% | 0.686 | 63% | 0.632 | S | S | * | * | | | trans | -66.9 | 83.2 | 170.2 | -66 | 171.1 | 0 | 0 | 0 | 107.9 | T126 F134 | T126-L128 VanDerWaalsContact C-N 3.27Å; T126-L128 PolarHBondContact O-N 2.91Å; T126-L128 VanDerWaalsContact O-N 3.08Å; L128-F134 HydrophobicContact CD2-CB 3.98Å; L128-F134 HydrophobicContact CD2-CD2 3.9Å; L128-F134 HydrophobicContact CD2-CG 4.18Å |
| 129 | G | 57 | Low | 59.7 | Low | 40 Ų | 40 | 115.9 Ų | 115.9 | 41% | 0.412 | 63% | 0.632 | S | S | . | * | | | trans | -105.3 | 115.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108 | R127 | R127-G129 PolarHBondContact O-N 3.33Š|
| 130 | A | 56.8 | Low | 60.7 | Low | 74 Ų | 74 | 115.5 Ų | 115.5 | 61% | 0.612 | 63% | 0.628 | S | S | * | * | S | Bend | trans | 58.4 | 121.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S132 Q133 | A130-S132 PolarHBondContact O-N 3.2Å; A130-Q133 PolarHBondContact O-N 3.27Å; A130-Q133 VanDerWaalsContact O-N 3.07Å |
| 131 | E | 58.3 | Low | 61.5 | Low | 178 Ų | 178 | 110.9 Ų | 110.9 | 83% | 0.832 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -41.6 | -16 | -179.6 | -49.6 | -68.9 | 118.9 | 0 | 0 | 116.3 | S135 | E131-S135 PolarHBondContact O-OG 2.89Š|
| 132 | S | 61.7 | Low | 62.4 | Low | 74 Ų | 74 | 104 Ų | 104 | 52% | 0.517 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -76.1 | -36.7 | 176.8 | 60.3 | 0 | 0 | 0 | 0 | 114.5 | A130 F134 S135 D136 | A130-S132 PolarHBondContact O-N 3.2Å; S132-F134 VanDerWaalsContact C-N 3.28Å; S132-F134 PolarHBondContact O-N 3.02Å; S132-S135 WeakPolarHBondContact O-CB 3.36Å; S132-S135 PolarHBondContact O-N 3.07Å; S132-D136 PolarHBondContact O-N 3.16Å |
| 133 | Q | 67.4 | Low | 62.6 | Low | 130 Ų | 130 | 102.9 Ų | 102.9 | 61% | 0.607 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -70.9 | -23.3 | -176.6 | -89.3 | -173.5 | 35.3 | 0 | 0 | 113.7 | A130 F137 | A130-Q133 PolarHBondContact O-N 3.27Å; A130-Q133 VanDerWaalsContact O-N 3.07Å; Q133-F137 WeakPolarHBondContact O-CB 3.41Å; Q133-F137 PolarHBondContact O-N 3.31Å |
| 134 | F | 63.6 | Low | 63.1 | Low | 98 Ų | 98 | 99.3 Ų | 99.3 | 43% | 0.43 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -73.9 | -33.4 | 174.3 | -178 | -111.8 | 0 | 0 | 0 | 111.6 | L128 S132 F137 L138 | L128-F134 HydrophobicContact CD2-CB 3.98Å; L128-F134 HydrophobicContact CD2-CD2 3.9Å; L128-F134 HydrophobicContact CD2-CG 4.18Å; S132-F134 VanDerWaalsContact C-N 3.28Å; S132-F134 PolarHBondContact O-N 3.02Å; F134-F137 HydrophobicContact CD2-CD1 4.34Å; F134-F137 HydrophobicContact CE2-CD1 4.39Å; F134-F137 WeakPolarHBondContact O-CB 3.4Å; F134-F137 PolarHBondContact O-N 3.33Å; F134-L138 HydrophobicContact CD1-CD1 4.15Å; F134-L138 HydrophobicContact CE1-CD1 3.66Å; F134-L138 HydrophobicContact CE1-CG 4.16Å; F134-L138 HydrophobicContact CE2-CD2 4.49Å; F134-L138 HydrophobicContact CZ-CD1 4.07Å; F134-L138 HydrophobicContact CZ-CD2 4.14Å; F134-L138 HydrophobicContact CZ-CG 4.19Å; F134-L138 WeakPolarHBondContact O-CG 3.44Å; F134-L138 PolarHBondContact O-N 2.72Å |
| 135 | S | 68.9 | Low | 63.7 | Low | 57 Ų | 57 | 98.7 Ų | 98.7 | 40% | 0.399 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.5 | -47.8 | 178.5 | -55 | 0 | 0 | 0 | 0 | 111.2 | E131 S132 F137 L138 D139 | E131-S135 PolarHBondContact O-OG 2.89Å; S132-S135 WeakPolarHBondContact O-CB 3.36Å; S132-S135 PolarHBondContact O-N 3.07Å; S135-F137 PolarHBondContact O-N 2.84Å; S135-L138 PolarHBondContact O-N 3.08Å; S135-D139 PolarHBondContact O-N 3Å |
| 136 | D | 72.9 | Confident | 64.1 | Low | 114 Ų | 114 | 97.5 Ų | 97.5 | 61% | 0.61 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.1 | -31.5 | 174.8 | -66.6 | -26.7 | 0 | 0 | 0 | 112.2 | S132 G140 | S132-D136 PolarHBondContact O-N 3.16Å; D136-G140 PolarHBondContact O-N 2.82Å |
| 137 | F | 73.8 | Confident | 64.4 | Low | 67 Ų | 67 | 98.6 Ų | 98.6 | 29% | 0.294 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.8 | -44.6 | 173.4 | 168.7 | -98.8 | 0 | 0 | 0 | 112 | Q133 F134 S135 G140 L141 | Q133-F137 WeakPolarHBondContact O-CB 3.41Å; Q133-F137 PolarHBondContact O-N 3.31Å; F134-F137 HydrophobicContact CD2-CD1 4.34Å; F134-F137 HydrophobicContact CE2-CD1 4.39Å; F134-F137 WeakPolarHBondContact O-CB 3.4Å; F134-F137 PolarHBondContact O-N 3.33Å; S135-F137 PolarHBondContact O-N 2.84Å; F137-G140 PolarHBondContact O-N 3.14Å; F137-L141 HydrophobicContact CD1-CD1 4.36Å; F137-L141 HydrophobicContact CE1-CD1 3.67Å; F137-L141 HydrophobicContact CE1-CG 4.22Å; F137-L141 HydrophobicContact CE2-CD2 4.02Å; F137-L141 HydrophobicContact CE2-CG 4.31Å; F137-L141 HydrophobicContact CZ-CD1 3.77Å; F137-L141 HydrophobicContact CZ-CD2 3.8Å; F137-L141 HydrophobicContact CZ-CG 3.97Å; F137-L141 WeakPolarHBondContact O-CG 3.49Å; F137-L141 PolarHBondContact O-N 3.37Å; F137-L141 VanDerWaalsContact O-N 3.15Å |
| 138 | L | 74.1 | Confident | 64.6 | Low | 79 Ų | 79 | 90.5 Ų | 90.5 | 41% | 0.414 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 176.2 | -69.6 | -179.1 | 0 | 0 | 0 | 112.2 | F134 S135 G140 L141 | F134-L138 HydrophobicContact CD1-CD1 4.15Å; F134-L138 HydrophobicContact CE1-CD1 3.66Å; F134-L138 HydrophobicContact CE1-CG 4.16Å; F134-L138 HydrophobicContact CE2-CD2 4.49Å; F134-L138 HydrophobicContact CZ-CD1 4.07Å; F134-L138 HydrophobicContact CZ-CD2 4.14Å; F134-L138 HydrophobicContact CZ-CG 4.19Å; F134-L138 WeakPolarHBondContact O-CG 3.44Å; F134-L138 PolarHBondContact O-N 2.72Å; S135-L138 PolarHBondContact O-N 3.08Å; L138-G140 VanDerWaalsContact C-N 3.29Å; L138-G140 PolarHBondContact O-N 3Å; L138-L141 HydrophobicContact CD2-CD1 4.18Å; L138-L141 PolarHBondContact O-N 2.62Å |
| 139 | D | 74.8 | Confident | 64.9 | Low | 142 Ų | 142 | 91.6 Ų | 91.6 | 76% | 0.759 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -70.2 | -28 | 177.5 | -70.9 | -16.4 | 0 | 0 | 0 | 112.1 | S135 | S135-D139 PolarHBondContact O-N 3Å |
| 140 | G | 72.3 | Confident | 65.1 | Low | 59 Ų | 59 | 97.8 Ų | 97.8 | 61% | 0.608 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -79.5 | -12.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | D136 F137 L138 G142 | D136-G140 PolarHBondContact O-N 2.82Å; F137-G140 PolarHBondContact O-N 3.14Å; L138-G140 VanDerWaalsContact C-N 3.29Å; L138-G140 PolarHBondContact O-N 3Å; G140-G142 PolarHBondContact O-N 2.93Å |
| 141 | L | 71.8 | Confident | 64.8 | Low | 23 Ų | 23 | 100.2 Ų | 100.2 | 12% | 0.12 | 57% | 0.57 | C | S | . | * | S | Bend | trans | -77.5 | 109.3 | 175.3 | -72.2 | 174.1 | 0 | 0 | 0 | 109.4 | F137 L138 Q145 I146 | F137-L141 HydrophobicContact CD1-CD1 4.36Å; F137-L141 HydrophobicContact CE1-CD1 3.67Å; F137-L141 HydrophobicContact CE1-CG 4.22Å; F137-L141 HydrophobicContact CE2-CD2 4.02Å; F137-L141 HydrophobicContact CE2-CG 4.31Å; F137-L141 HydrophobicContact CZ-CD1 3.77Å; F137-L141 HydrophobicContact CZ-CD2 3.8Å; F137-L141 HydrophobicContact CZ-CG 3.97Å; F137-L141 WeakPolarHBondContact O-CG 3.49Å; F137-L141 PolarHBondContact O-N 3.37Å; F137-L141 VanDerWaalsContact O-N 3.15Å; L138-L141 HydrophobicContact CD2-CD1 4.18Å; L138-L141 PolarHBondContact O-N 2.62Å; L141-Q145 HydrophobicContact CB-CB 4.37Å; L141-Q145 HydrophobicContact CD2-CB 3.97Å; L141-I146 HydrophobicContact CB-CG1 3.95Å; L141-I146 HydrophobicContact CD1-CG1 4.4Å |
| 142 | G | 70.1 | Confident | 64.7 | Low | 30 Ų | 30 | 99.9 Ų | 99.9 | 31% | 0.309 | 57% | 0.573 | S | S | . | * | | | trans | -55.9 | 152.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | G140 A144 Q145 | G140-G142 PolarHBondContact O-N 2.93Å; G142-A144 PolarHBondContact O-N 2.94Å; G142-Q145 WeakPolarHBondContact O-CB 3.45Å; G142-Q145 PolarHBondContact O-N 2.94Å |
| 143 | P | 62.2 | Low | 64.2 | Low | 121 Ų | 121 | 99.7 Ų | 99.7 | 79% | 0.786 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.7 | -26.4 | -174.9 | -28.2 | 33.4 | 0 | 0 | 0 | 114.9 | | |
| 144 | A | 58.1 | Low | 63.4 | Low | 88 Ų | 88 | 99.4 Ų | 99.4 | 73% | 0.727 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -19.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | G142 | G142-A144 PolarHBondContact O-N 2.94Š|
| 145 | Q | 64.4 | Low | 62.8 | Low | 110 Ų | 110 | 99.9 Ų | 99.9 | 51% | 0.514 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.1 | -23.8 | -175.7 | -64.7 | -176.7 | -21.5 | 0 | 0 | 113 | L141 G142 V147 G148 | L141-Q145 HydrophobicContact CB-CB 4.37Å; L141-Q145 HydrophobicContact CD2-CB 3.97Å; G142-Q145 WeakPolarHBondContact O-CB 3.45Å; G142-Q145 PolarHBondContact O-N 2.94Å; Q145-V147 VanDerWaalsContact C-N 3.28Å; Q145-V147 PolarHBondContact O-N 3.04Å; Q145-G148 PolarHBondContact O-N 2.79Å |
| 146 | I | 59.9 | Low | 61.8 | Low | 104 Ų | 104 | 102.9 Ų | 102.9 | 53% | 0.533 | 61% | 0.614 | S | S | . | * | G | 310 helix | trans | -68.2 | -30 | 175.7 | -57.4 | 174.2 | 0 | 0 | 0 | 110.9 | L141 G148 | L141-I146 HydrophobicContact CB-CG1 3.95Å; L141-I146 HydrophobicContact CD1-CG1 4.4Å; I146-G148 VanDerWaalsContact C-N 3.33Å; I146-G148 PolarHBondContact O-N 2.75Å |
| 147 | V | 58.4 | Low | 61 | Low | 116 Ų | 116 | 105.7 Ų | 105.7 | 70% | 0.703 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -80.8 | -12.9 | -179.9 | -171.2 | 0 | 0 | 0 | 0 | 112.7 | Q145 | Q145-V147 VanDerWaalsContact C-N 3.28Å; Q145-V147 PolarHBondContact O-N 3.04Å |
| 148 | G | 56.3 | Low | 60.1 | Low | 65 Ų | 65 | 104.6 Ų | 104.6 | 67% | 0.67 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -86.9 | -6.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q145 I146 | Q145-G148 PolarHBondContact O-N 2.79Å; I146-G148 VanDerWaalsContact C-N 3.33Å; I146-G148 PolarHBondContact O-N 2.75Å |
| 149 | R | 60.6 | Low | 58.9 | Low | 155 Ų | 155 | 107.8 Ų | 107.8 | 59% | 0.585 | 65% | 0.651 | S | S | * | * | | | trans | -105.5 | 77 | 178.9 | -64.7 | -176.2 | 176.7 | -143.9 | -4.3 | 109.4 | T151 | R149-T151 PolarHBondContact O-N 2.68Š|
| 150 | Q | 59.9 | Low | 57.7 | Low | 170 Ų | 170 | 111.1 Ų | 111.1 | 79% | 0.794 | 65% | 0.653 | S | S | * | * | | | trans | -67 | 104.4 | 168.7 | -63.6 | -169.4 | 1.9 | 0 | 0 | 108.6 | L152 | Q150-L152 PolarHBondContact O-N 2.9Š|
| 151 | T | 51.9 | Low | 56.8 | Low | 124 Ų | 124 | 114.9 Ų | 114.9 | 76% | 0.761 | 66% | 0.658 | S | S | * | * | | | trans | -66.1 | 96.2 | 170.6 | -61.3 | 0 | 0 | 0 | 0 | 108.8 | R149 A153 | R149-T151 PolarHBondContact O-N 2.68Å; T151-A153 PolarHBondContact O-N 3.25Å |
| 152 | L | 55.2 | Low | 55.8 | Low | 172 Ų | 172 | 116.9 Ų | 116.9 | 90% | 0.901 | 69% | 0.685 | S | S | * | * | | | trans | -79 | 54.8 | 176.7 | -129 | 157.4 | 0 | 0 | 0 | 110.4 | Q150 | Q150-L152 PolarHBondContact O-N 2.9Š|
| 153 | A | 52.4 | Low | 55.2 | Low | 70 Ų | 70 | 126.3 Ų | 126.3 | 58% | 0.579 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -170.1 | 87.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | T151 | T151-A153 PolarHBondContact O-N 3.25Š|
| 154 | T | 50.8 | Low | 54.8 | Low | 123 Ų | 123 | 127 Ų | 127 | 76% | 0.755 | 71% | 0.707 | S | S | * | * | | | trans | 161 | 107.8 | 149.2 | -67.8 | 0 | 0 | 0 | 0 | 107.2 | | |
| 155 | P | 49.7 | Very low | 54.4 | Low | 109 Ų | 109 | 131.4 Ų | 131.4 | 71% | 0.708 | 71% | 0.706 | S | S | * | * | | | trans | -61.7 | 132.8 | 162.7 | 25.1 | -29.4 | 0 | 0 | 0 | 107.7 | M157 | P155-M157 PolarHBondContact O-N 3.03Š|
| 156 | P | 49.2 | Very low | 54 | Low | 119 Ų | 119 | 131.5 Ų | 131.5 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | | | trans | -60.9 | 104.1 | 177.4 | 24.6 | -32.2 | 0 | 0 | 0 | 108.6 | G158 | P156-G158 PolarHBondContact O-N 2.67Š|
| 157 | M | 55.5 | Low | 53.9 | Low | 173 Ų | 173 | 133.6 Ų | 133.6 | 85% | 0.852 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | 60.1 | 154.9 | -82.3 | -151.3 | -59.6 | 0 | 0 | 108.4 | P155 | P155-M157 PolarHBondContact O-N 3.03Š|
| 158 | G | 53.9 | Low | 53.5 | Low | 44 Ų | 44 | 130 Ų | 130 | 45% | 0.454 | 71% | 0.71 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109.5 | -27.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | P156 R160 L161 | P156-G158 PolarHBondContact O-N 2.67Å; G158-R160 PolarHBondContact O-N 3.44Å; G158-L161 PolarHBondContact O-N 3.31Å |
| 159 | D | 50.4 | Low | 53.1 | Low | 147 Ų | 147 | 132.8 Ų | 132.8 | 79% | 0.786 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 2.6 | -177.4 | -90.8 | -1.5 | 0 | 0 | 0 | 114.6 | | |
| 160 | R | 49.7 | Very low | 52.5 | Low | 212 Ų | 212 | 134.2 Ų | 134.2 | 80% | 0.8 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 0.1 | 173 | -80.8 | -157.7 | -93.9 | -176.3 | -6.2 | 115 | G158 | G158-R160 PolarHBondContact O-N 3.44Š|
| 161 | L | 51.8 | Low | 52 | Low | 137 Ų | 137 | 133.3 Ų | 133.3 | 72% | 0.717 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -24.1 | 172.2 | -140.5 | 76.8 | 0 | 0 | 0 | 112.8 | G158 R163 L164 | G158-L161 PolarHBondContact O-N 3.31Å; L161-R163 VanDerWaalsContact C-N 3.28Å; L161-R163 PolarHBondContact O-N 2.94Å; L161-L164 PolarHBondContact O-N 3.15Å |
| 162 | G | 51.3 | Low | 51.6 | Low | 66 Ų | 66 | 134.8 Ų | 134.8 | 68% | 0.68 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -11.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 163 | R | 56.8 | Low | 51.1 | Low | 227 Ų | 227 | 134.6 Ų | 134.6 | 86% | 0.857 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | 10.3 | 175.1 | -58 | -165.6 | -159.3 | -88.5 | -0 | 113.9 | L161 | L161-R163 VanDerWaalsContact C-N 3.28Å; L161-R163 PolarHBondContact O-N 2.94Å |
| 164 | L | 54.9 | Low | 50.5 | Low | 135 Ų | 135 | 135.3 Ų | 135.3 | 71% | 0.707 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -111.9 | -2.8 | 174.4 | -170.2 | 58.7 | 0 | 0 | 0 | 112.5 | L161 | L161-L164 PolarHBondContact O-N 3.15Š|
| 165 | W | 50.1 | Low | 50.4 | Low | 182 Ų | 182 | 138 Ų | 138 | 69% | 0.689 | 75% | 0.75 | S | S | * | * | | | trans | -128 | 78.1 | 177.7 | -160.3 | -97.9 | 0 | 0 | 0 | 111.6 | H167 G168 | W165-H167 PolarHBondContact NE1-O 2.89Å; W165-H167 PolarHBondContact O-N 3.02Å; W165-H167 VanDerWaalsContact O-N 3.12Å; W165-G168 VanDerWaalsContact NE1-CA 3.35Å |
| 166 | P | 55.6 | Low | 49.7 | Very low | 112 Ų | 112 | 136 Ų | 136 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -68.8 | -2.4 | 177.4 | 26.3 | -30.9 | 0 | 0 | 0 | 113.9 | | |
| 167 | H | 57.3 | Low | 49.9 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 68% | 0.681 | 74% | 0.744 | S | S | * | * | | | trans | -138.5 | 70.8 | -176.4 | -66.3 | -64.4 | 0 | 0 | 0 | 113.3 | W165 | W165-H167 PolarHBondContact NE1-O 2.89Å; W165-H167 PolarHBondContact O-N 3.02Å; W165-H167 VanDerWaalsContact O-N 3.12Å |
| 168 | G | 49.8 | Very low | 49.4 | Very low | 42 Ų | 42 | 134 Ų | 134 | 43% | 0.433 | 74% | 0.74 | S | S | . | * | | | trans | -51.6 | 147.9 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | W165 Q170 | W165-G168 VanDerWaalsContact NE1-CA 3.35Å; G168-Q170 PolarHBondContact O-N 3.04Å |
| 169 | P | 48.2 | Very low | 49.2 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | | | trans | -63.8 | 113.5 | -174 | 26.8 | -32.3 | 0 | 0 | 0 | 109.5 | V171 | P169-V171 PolarHBondContact O-N 3.25Å; P169-V171 VanDerWaalsContact O-N 3.09Å |
| 170 | Q | 47.2 | Very low | 48.9 | Very low | 184 Ų | 184 | 139.4 Ų | 139.4 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | | | trans | -67.2 | 106.8 | 170.3 | -55.2 | -159.3 | 93.2 | 0 | 0 | 107 | G168 L172 | G168-Q170 PolarHBondContact O-N 3.04Å; Q170-L172 PolarHBondContact O-N 3.17Å |
| 171 | V | 49.5 | Very low | 48.6 | Very low | 152 Ų | 152 | 132.9 Ų | 132.9 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | | | trans | -63.2 | 122.4 | 172.4 | -113.6 | 0 | 0 | 0 | 0 | 108.3 | P169 | P169-V171 PolarHBondContact O-N 3.25Å; P169-V171 VanDerWaalsContact O-N 3.09Å |
| 172 | L | 43.6 | Very low | 48.2 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | | | trans | -65.9 | 129.7 | -168.7 | -174.8 | 69 | 0 | 0 | 0 | 112.2 | Q170 | Q170-L172 PolarHBondContact O-N 3.17Š|
| 173 | H | 46.1 | Very low | 47.9 | Very low | 168 Ų | 168 | 140 Ų | 140 | 78% | 0.778 | 78% | 0.784 | S | S | * | * | | | trans | 25.7 | 108.8 | 149.2 | -77.5 | 72 | 0 | 0 | 0 | 118.6 | | |
| 174 | G | 39.2 | Very low | 47.2 | Very low | 85 Ų | 85 | 132.6 Ų | 132.6 | 88% | 0.876 | 78% | 0.779 | S | S | * | * | | | trans | -116.3 | 92.9 | 152.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 175 | H | 48.5 | Very low | 46.9 | Very low | 180 Ų | 180 | 132.2 Ų | 132.2 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | | | trans | -83 | 127.8 | 171.3 | -153.8 | -86.3 | 0 | 0 | 0 | 108.3 | | |
| 176 | G | 34.9 | Very low | 46.7 | Very low | 66 Ų | 66 | 132.1 Ų | 132.1 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | | | trans | -151.2 | 122.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 177 | P | 53.2 | Low | 46.3 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 68% | 0.675 | 80% | 0.8 | S | S | * | * | | | trans | -90.3 | 155.3 | -160.7 | 35.4 | -34.4 | 0 | 0 | 0 | 114.4 | | |
| 178 | D | 45.3 | Very low | 46 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 78% | 0.781 | 81% | 0.81 | S | S | * | * | | | trans | 50.9 | 99.4 | 144.9 | -61.9 | -42.1 | 0 | 0 | 0 | 120 | | |
| 179 | H | 49.3 | Very low | 45.8 | Very low | 199 Ų | 199 | 143.5 Ų | 143.5 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | | | trans | -129.6 | 113.5 | 134.2 | -86.8 | -55.5 | 0 | 0 | 0 | 111.1 | | |
| 180 | A | 45.3 | Very low | 45.8 | Very low | 106 Ų | 106 | 145.4 Ų | 145.4 | 88% | 0.876 | 82% | 0.819 | S | S | * | * | | | trans | -54.9 | 138.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 181 | G | 41.9 | Very low | 45.8 | Very low | 74 Ų | 74 | 147.7 Ų | 147.7 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | | | trans | -173.8 | 60.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 182 | R | 44 | Very low | 45.6 | Very low | 250 Ų | 250 | 147 Ų | 147 | 94% | 0.943 | 81% | 0.81 | S | S | * | * | | | trans | 69.5 | 123.7 | 138.8 | -158.7 | 168.1 | 178.7 | -154.6 | -0.3 | 119.9 | | |
| 183 | A | 44.3 | Very low | 46.1 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | | | trans | -49.8 | 149 | 175 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 184 | G | 41.8 | Very low | 46.3 | Very low | 72 Ų | 72 | 144.2 Ų | 144.2 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | | | trans | -164.1 | 132.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 185 | P | 48.8 | Very low | 46.6 | Very low | 127 Ų | 127 | 146 Ų | 146 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | trans | -93.8 | 143.3 | -164.9 | 35.4 | -33.1 | 0 | 0 | 0 | 115.2 | | |
| 186 | Q | 46.8 | Very low | 46.5 | Very low | 180 Ų | 180 | 143.5 Ų | 143.5 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | | | trans | 21 | 117.5 | 135.9 | -168.4 | 176.7 | 67 | 0 | 0 | 118.9 | | |
| 187 | R | 47.7 | Very low | 47.4 | Very low | 242 Ų | 242 | 146 Ų | 146 | 91% | 0.913 | 79% | 0.79 | S | S | * | * | | | trans | -164.7 | 98.1 | 141.9 | -106.6 | 162.5 | -172.3 | -94.8 | -0.1 | 111 | | |
| 188 | R | 49.5 | Very low | 47.4 | Very low | 233 Ų | 233 | 147.8 Ų | 147.8 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | | | | 42.6 | 89.3 | 110.6 | -97.4 | -172.2 | 172.1 | -175.4 | -0.8 | 114.3 | H190 | R188-H190 PolarHBondContact O-CE1 3.43Š|
| 189 | G | 46.3 | Very low | 47.2 | Very low | 65 Ų | 65 | 148.4 Ų | 148.4 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | | | trans | -109.3 | 82.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | R191 | G189-R191 PolarHBondContact O-N 3.25Š|
| 190 | H | 48.5 | Very low | 47 | Very low | 162 Ų | 162 | 146.9 Ų | 146.9 | 75% | 0.75 | 79% | 0.789 | S | S | * | * | | | trans | 13.3 | 99.9 | 152.1 | 1.2 | -77.3 | 0 | 0 | 0 | 117.6 | R188 L192 | R188-H190 PolarHBondContact O-CE1 3.43Å; H190-L192 PolarHBondContact O-N 3.42Å; H190-L192 VanDerWaalsContact O-N 3.13Å |
| 191 | R | 47 | Very low | 47 | Very low | 232 Ų | 232 | 147.2 Ų | 147.2 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | | | trans | -69 | 94.5 | 157.8 | -167.7 | -173.8 | -176.5 | -179.1 | 1 | 107.9 | G189 V193 | G189-R191 PolarHBondContact O-N 3.25Å; R191-V193 VanDerWaalsContact C-N 3.25Å; R191-V193 HydrophobicContact CG-CG2 3.84Å; R191-V193 PolarHBondContact O-N 2.77Å |
| 192 | L | 45.9 | Very low | 47 | Very low | 138 Ų | 138 | 147.3 Ų | 147.3 | 72% | 0.723 | 79% | 0.786 | S | S | * | * | | | trans | -76.1 | 84.4 | 167.7 | -99 | 156.1 | 0 | 0 | 0 | 108.5 | H190 Q194 | H190-L192 PolarHBondContact O-N 3.42Å; H190-L192 VanDerWaalsContact O-N 3.13Å; L192-Q194 VanDerWaalsContact C-N 3.31Å; L192-Q194 HydrophobicContact CD2-CG 3.76Å; L192-Q194 PolarHBondContact O-N 2.81Å |
| 193 | V | 54.5 | Low | 47.1 | Very low | 97 Ų | 97 | 145.3 Ų | 145.3 | 59% | 0.588 | 78% | 0.779 | S | S | * | * | | | trans | -71.9 | 94.3 | 156.5 | -171.8 | 0 | 0 | 0 | 0 | 105.3 | R191 | R191-V193 VanDerWaalsContact C-N 3.25Å; R191-V193 HydrophobicContact CG-CG2 3.84Å; R191-V193 PolarHBondContact O-N 2.77Å |
| 194 | Q | 48.7 | Very low | 47 | Very low | 167 Ų | 167 | 148.3 Ų | 148.3 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | | | trans | -90.8 | 104 | 163.8 | -75.5 | -163.9 | 28.6 | 0 | 0 | 108.7 | L192 | L192-Q194 VanDerWaalsContact C-N 3.31Å; L192-Q194 HydrophobicContact CD2-CG 3.76Å; L192-Q194 PolarHBondContact O-N 2.81Å |
| 195 | T | 47.2 | Very low | 47.3 | Very low | 123 Ų | 123 | 152.4 Ų | 152.4 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | -60.7 | 137.2 | 170.8 | -25.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 196 | L | 45.1 | Very low | 47.3 | Very low | 128 Ų | 128 | 152.2 Ų | 152.2 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | | | trans | -51.8 | 147.5 | 170.6 | -167.5 | 63.4 | 0 | 0 | 0 | 112.4 | H198 | L196-H198 WeakPolarHBondContact CD2-ND1 3.25Å; L196-H198 WeakPolarHBondContact CG-ND1 3.42Å |
| 197 | P | 55 | Low | 47.1 | Very low | 119 Ų | 119 | 155.2 Ų | 155.2 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | trans | -123.5 | 128.8 | 130.3 | 33.5 | -27.9 | 0 | 0 | 0 | 112.5 | | |
| 198 | H | 52.2 | Low | 47.4 | Very low | 141 Ų | 141 | 150.3 Ų | 150.3 | 65% | 0.653 | 77% | 0.77 | S | S | * | * | | | trans | -79.7 | 120.1 | 172.1 | 14.1 | -85.6 | 0 | 0 | 0 | 108.7 | L196 | L196-H198 WeakPolarHBondContact CD2-ND1 3.25Å; L196-H198 WeakPolarHBondContact CG-ND1 3.42Å |
| 199 | L | 41.7 | Very low | 47.3 | Very low | 159 Ų | 159 | 145 Ų | 145 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | | | trans | -170.9 | 112.3 | 153.2 | -143.3 | 68.1 | 0 | 0 | 0 | 109.9 | | |
| 200 | L | 45.2 | Very low | 47.5 | Very low | 166 Ų | 166 | 150.8 Ų | 150.8 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | | | | -167.5 | 119.6 | 116.2 | -150.4 | 63 | 0 | 0 | 0 | 111.1 | G202 | L200-G202 PolarHBondContact O-N 2.94Š|
| 201 | S | 45.8 | Very low | 47.4 | Very low | 114 Ų | 114 | 151.7 Ų | 151.7 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | | | trans | -50.4 | 116.5 | 169.1 | -63.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 202 | G | 40.8 | Very low | 47.6 | Very low | 76 Ų | 76 | 144.9 Ų | 144.9 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | | | trans | -102 | 86.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L200 L204 | L200-G202 PolarHBondContact O-N 2.94Å; G202-L204 PolarHBondContact O-N 3.14Å |
| 203 | R | 45.5 | Very low | 48.1 | Very low | 208 Ų | 208 | 144.4 Ų | 144.4 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | trans | -50.9 | 119.6 | 179.2 | -158.1 | 179.5 | -169.6 | -163.1 | 3.7 | 111.9 | H205 | R203-H205 PolarHBondContact O-N 3.43Š|
| 204 | L | 43.7 | Very low | 48.3 | Very low | 165 Ų | 165 | 146 Ų | 146 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | trans | -62 | 111.2 | 168.2 | -73.1 | 163.3 | 0 | 0 | 0 | 109.2 | G202 T206 | G202-L204 PolarHBondContact O-N 3.14Å; L204-T206 PolarHBondContact O-N 3.01Å |
| 205 | H | 46.7 | Very low | 48.6 | Very low | 158 Ų | 158 | 143 Ų | 143 | 73% | 0.731 | 78% | 0.783 | S | S | * | * | | | trans | -83 | 104.9 | 164.6 | -80.4 | 93.1 | 0 | 0 | 0 | 108.6 | R203 R207 | R203-H205 PolarHBondContact O-N 3.43Å; H205-R207 PolarHBondContact O-N 2.74Å; H205-R207 VanDerWaalsContact O-N 3.11Å |
| 206 | T | 48.9 | Very low | 49.1 | Very low | 124 Ų | 124 | 143.6 Ų | 143.6 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | | | trans | -61.6 | 102.9 | 162.5 | 48.9 | 0 | 0 | 0 | 0 | 108.6 | L204 I208 | L204-T206 PolarHBondContact O-N 3.01Å; T206-I208 PolarHBondContact O-N 3.1Å |
| 207 | R | 42.5 | Very low | 49.5 | Very low | 243 Ų | 243 | 146.3 Ų | 146.3 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | | | trans | -72.4 | 107 | 165.5 | -94.2 | -167.1 | -175 | -160 | 2.7 | 108.4 | H205 | H205-R207 PolarHBondContact O-N 2.74Å; H205-R207 VanDerWaalsContact O-N 3.11Å |
| 208 | I | 53.9 | Low | 49.6 | Very low | 139 Ų | 139 | 146.6 Ų | 146.6 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | | | trans | -72.3 | 125.5 | 162.4 | -59.7 | 168 | 0 | 0 | 0 | 106.9 | T206 H210 | T206-I208 PolarHBondContact O-N 3.1Å; I208-H210 PolarHBondContact O-N 3.1Å |
| 209 | P | 48.4 | Very low | 49.4 | Very low | 121 Ų | 121 | 143 Ų | 143 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | | | trans | -74.4 | 112.6 | 170.2 | 28.2 | -29.7 | 0 | 0 | 0 | 109.3 | Q211 | P209-Q211 PolarHBondContact O-N 3.28Š|
| 210 | H | 51.2 | Low | 49.7 | Very low | 186 Ų | 186 | 143.6 Ų | 143.6 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 127.1 | 170.8 | -122.5 | -86.4 | 0 | 0 | 0 | 109.4 | I208 | I208-H210 PolarHBondContact O-N 3.1Š|
| 211 | Q | 46.4 | Very low | 49.8 | Very low | 182 Ų | 182 | 141.3 Ų | 141.3 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 136.5 | 168.8 | -87.3 | 177.1 | 5.3 | 0 | 0 | 110.9 | P209 | P209-Q211 PolarHBondContact O-N 3.28Š|
| 212 | A | 50.7 | Low | 50.2 | Low | 89 Ų | 89 | 143.5 Ų | 143.5 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -70 | 143.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 213 | P | 55.8 | Low | 50.6 | Low | 127 Ų | 127 | 148.5 Ų | 148.5 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 137.1 | 176.8 | -0.4 | 15.4 | 0 | 0 | 0 | 111.6 | | |
| 214 | V | 58.9 | Low | 51.3 | Low | 131 Ų | 131 | 143.4 Ų | 143.4 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 132.3 | 171.4 | -138.9 | 0 | 0 | 0 | 0 | 109.2 | V216 | V214-V216 PolarHBondContact O-N 3.24Š|
| 215 | P | 56.1 | Low | 51.8 | Low | 105 Ų | 105 | 144 Ų | 144 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 117.8 | 174.6 | 27 | -30.7 | 0 | 0 | 0 | 110.6 | | |
| 216 | V | 57.3 | Low | 52.4 | Low | 134 Ų | 134 | 144.1 Ų | 144.1 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 117.4 | 169.2 | 175.2 | 0 | 0 | 0 | 0 | 108 | V214 P218 | V214-V216 PolarHBondContact O-N 3.24Å; V216-P218 WeakPolarHBondContact O-CD 3.4Å |
| 217 | F | 52.8 | Low | 52.7 | Low | 186 Ų | 186 | 149.9 Ų | 149.9 | 82% | 0.816 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 121.4 | 169.1 | -71.7 | -86.5 | 0 | 0 | 0 | 109.2 | G219 | F217-G219 PolarHBondContact O-N 2.97Š|
| 218 | P | 56.8 | Low | 53.2 | Low | 124 Ų | 124 | 145.2 Ų | 145.2 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 120.2 | 168.5 | 28.5 | -28.6 | 0 | 0 | 0 | 109.4 | V216 | V216-P218 WeakPolarHBondContact O-CD 3.4Š|
| 219 | G | 49.4 | Very low | 53.2 | Low | 65 Ų | 65 | 145.5 Ų | 145.5 | 67% | 0.67 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 166 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F217 | F217-G219 PolarHBondContact O-N 2.97Š|
| 220 | E | 47.6 | Very low | 53.5 | Low | 172 Ų | 172 | 146.9 Ų | 146.9 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | 77.7 | 138.5 | 170.7 | -55.2 | -144.1 | 98.7 | 0 | 0 | 115.4 | | |
| 221 | C | 47.6 | Very low | 53.6 | Low | 118 Ų | 118 | 144.6 Ų | 144.6 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | | | cis | -148.8 | 148.4 | 44.8 | -59.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 222 | H | 52.3 | Low | 54 | Low | 160 Ų | 160 | 142.3 Ų | 142.3 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | | | trans | -36.7 | 142 | 163.2 | -84.2 | 87.9 | 0 | 0 | 0 | 115.7 | | |
| 223 | Q | 50.6 | Low | 54.3 | Low | 182 Ų | 182 | 145.8 Ų | 145.8 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | | | trans | -123.7 | 117.3 | 145.6 | -73.6 | -88.3 | 47 | 0 | 0 | 107.4 | | |
| 224 | P | 59.7 | Low | 54.2 | Low | 100 Ų | 100 | 147.1 Ų | 147.1 | 65% | 0.649 | 82% | 0.816 | S | S | * | * | | | trans | -86.7 | 126.7 | 168 | 32.4 | -26.3 | 0 | 0 | 0 | 108.7 | | |
| 225 | L | 55.2 | Low | 53.8 | Low | 177 Ų | 177 | 148.4 Ų | 148.4 | 93% | 0.927 | 82% | 0.818 | S | S | * | * | | | trans | -114.2 | 117.7 | 161.2 | -133.1 | 109.8 | 0 | 0 | 0 | 108.7 | | |
| 226 | M | 59.1 | Low | 53.6 | Low | 162 Ų | 162 | 152 Ų | 152 | 80% | 0.798 | 83% | 0.829 | S | S | * | * | | | trans | -82.9 | 149.7 | -178.9 | -71.1 | -100.7 | -72.6 | 0 | 0 | 111.2 | | |
| 227 | L | 54.8 | Low | 53.3 | Low | 244 Ų | 244 | 153.6 Ų | 153.6 | 100% | 1.277 | 83% | 0.83 | S | S | * | * | | | trans | 76 | 0 | 172 | -107.2 | 78.2 | 0 | 0 | 0 | 118.1 | | |