| 1 | M | 51.5 | Low | 53.8 | Low | 237 Ų | 237 | 158.6 Ų | 158.6 | 100% | 1.167 | 84% | 0.838 | S | S | * | * | | | | 0 | 96.2 | 0 | -159.7 | -179 | -105.3 | 0 | 0 | 105.2 | | |
| 2 | E | 43.5 | Very low | 53.1 | Low | 190 Ų | 190 | 157.5 Ų | 157.5 | 89% | 0.888 | 83% | 0.828 | S | S | * | * | | | trans | -77.5 | 122.9 | -176.4 | -70.9 | -92.2 | 134.2 | 0 | 0 | 108.7 | | |
| 3 | V | 53.2 | Low | 52.5 | Low | 135 Ų | 135 | 152.2 Ų | 152.2 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -104.4 | 105.6 | 175.2 | 179.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 4 | Q | 58.1 | Low | 52.3 | Low | 166 Ų | 166 | 148.6 Ų | 148.6 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | | | trans | -63.2 | 135.5 | 173.3 | -71.9 | -85 | 17.4 | 0 | 0 | 110.4 | L6 | Q4-L6 PolarHBondContact O-N 3.47Š|
| 5 | P | 60.9 | Low | 52.2 | Low | 117 Ų | 117 | 153.9 Ų | 153.9 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | | | trans | -71.6 | 125.7 | 174.4 | 28.2 | -29.7 | 0 | 0 | 0 | 109.8 | D7 | P5-D7 PolarHBondContact O-N 3.46Š|
| 6 | L | 56.7 | Low | 52.3 | Low | 169 Ų | 169 | 151.5 Ų | 151.5 | 89% | 0.885 | 80% | 0.802 | S | S | * | * | | | trans | -68.4 | 114.1 | 175.7 | -152.7 | 76.5 | 0 | 0 | 0 | 108.6 | Q4 A8 | Q4-L6 PolarHBondContact O-N 3.47Å; L6-A8 PolarHBondContact O-N 3.18Å |
| 7 | D | 48.6 | Very low | 52.4 | Low | 157 Ų | 157 | 147.5 Ų | 147.5 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | | | trans | -63.4 | 92.9 | 177.8 | -124 | -28.7 | 0 | 0 | 0 | 109.8 | P5 T9 | P5-D7 PolarHBondContact O-N 3.46Å; D7-T9 PolarHBondContact O-N 2.94Å |
| 8 | A | 54 | Low | 52.2 | Low | 86 Ų | 86 | 144.9 Ų | 144.9 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | | | trans | -90.1 | 83 | -179 | 0 | 0 | 0 | 0 | 0 | 109.7 | L6 W10 | L6-A8 PolarHBondContact O-N 3.18Å; A8-W10 VanDerWaalsContact C-N 3.33Å; A8-W10 PolarHBondContact O-N 3.08Å |
| 9 | T | 57.7 | Low | 51.9 | Low | 134 Ų | 134 | 143.8 Ų | 143.8 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | | | trans | -70 | 88.3 | 169.7 | -36.3 | 0 | 0 | 0 | 0 | 109.4 | D7 N11 | D7-T9 PolarHBondContact O-N 2.94Å; T9-N11 PolarHBondContact O-N 3.1Å; T9-N11 VanDerWaalsContact O-N 3.12Å |
| 10 | W | 48.9 | Very low | 52.1 | Low | 219 Ų | 219 | 142.7 Ų | 142.7 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | | | trans | -76.7 | 97.6 | 177.1 | -167.2 | -83.8 | 0 | 0 | 0 | 110.2 | A8 M12 | A8-W10 VanDerWaalsContact C-N 3.33Å; A8-W10 PolarHBondContact O-N 3.08Å; W10-M12 PolarHBondContact O-N 3.35Å |
| 11 | N | 58.7 | Low | 52.5 | Low | 135 Ų | 135 | 142 Ų | 142 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | | | trans | -65 | 100.4 | 170.5 | -178.1 | -2 | 0 | 0 | 0 | 109.8 | T9 S13 | T9-N11 PolarHBondContact O-N 3.1Å; T9-N11 VanDerWaalsContact O-N 3.12Å; N11-S13 VanDerWaalsContact C-N 3.33Å; N11-S13 PolarHBondContact O-N 3.07Å |
| 12 | M | 45.9 | Very low | 52.7 | Low | 145 Ų | 145 | 138.7 Ų | 138.7 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | | | trans | -72.8 | 81.4 | 175.6 | -66.9 | -179.6 | 100.2 | 0 | 0 | 110.6 | W10 S14 | W10-M12 PolarHBondContact O-N 3.35Å; M12-S14 VanDerWaalsContact C-N 3.26Å; M12-S14 PolarHBondContact O-N 3.11Å |
| 13 | S | 45.2 | Very low | 53.6 | Low | 89 Ų | 89 | 135.2 Ų | 135.2 | 62% | 0.622 | 77% | 0.768 | S | S | * | * | | | trans | -72.3 | 88.1 | 159.6 | -91.7 | 0 | 0 | 0 | 0 | 109.4 | N11 R15 | N11-S13 VanDerWaalsContact C-N 3.33Å; N11-S13 PolarHBondContact O-N 3.07Å; S13-R15 VanDerWaalsContact C-N 3.32Å; S13-R15 PolarHBondContact O-N 2.78Å |
| 14 | S | 49.9 | Very low | 54.1 | Low | 102 Ų | 102 | 132.9 Ų | 132.9 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | | | trans | -66.2 | 87 | 169.5 | -172.9 | 0 | 0 | 0 | 0 | 109.7 | M12 V16 | M12-S14 VanDerWaalsContact C-N 3.26Å; M12-S14 PolarHBondContact O-N 3.11Å; S14-V16 PolarHBondContact O-N 3.23Å |
| 15 | R | 50.4 | Low | 54.1 | Low | 228 Ų | 228 | 134.3 Ų | 134.3 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | | | trans | -82.1 | 92.8 | 159.1 | -68 | -174 | -137.2 | -106.7 | 0.2 | 106.9 | S13 A17 | S13-R15 VanDerWaalsContact C-N 3.32Å; S13-R15 PolarHBondContact O-N 2.78Å; R15-A17 PolarHBondContact O-N 3.06Å |
| 16 | V | 53.2 | Low | 54 | Low | 115 Ų | 115 | 133.6 Ų | 133.6 | 70% | 0.697 | 76% | 0.763 | S | S | * | * | | | trans | -62 | 102.7 | 162.5 | 171.6 | 0 | 0 | 0 | 0 | 106.4 | S14 S18 | S14-V16 PolarHBondContact O-N 3.23Å; V16-S18 PolarHBondContact O-N 2.96Å; V16-S18 VanDerWaalsContact O-N 3.16Å |
| 17 | A | 54.7 | Low | 53.9 | Low | 83 Ų | 83 | 130 Ų | 130 | 69% | 0.686 | 76% | 0.758 | S | S | * | * | | | trans | -71.2 | 103.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | R15 C19 | R15-A17 PolarHBondContact O-N 3.06Å; A17-C19 PolarHBondContact O-N 3.16Å |
| 18 | S | 49.1 | Very low | 54.2 | Low | 102 Ų | 102 | 130.9 Ų | 130.9 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | | | trans | -61.5 | 98.9 | 165.6 | -68.8 | 0 | 0 | 0 | 0 | 108.2 | V16 T20 | V16-S18 PolarHBondContact O-N 2.96Å; V16-S18 VanDerWaalsContact O-N 3.16Å; S18-T20 PolarHBondContact O-N 3.02Å |
| 19 | C | 46.7 | Very low | 54 | Low | 124 Ų | 124 | 134.7 Ų | 134.7 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | | | trans | -70.6 | 96.2 | 166.4 | -66.4 | 0 | 0 | 0 | 0 | 107.8 | A17 | A17-C19 PolarHBondContact O-N 3.16Š|
| 20 | T | 55.8 | Low | 53.6 | Low | 120 Ų | 120 | 139.4 Ų | 139.4 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | | | trans | -81.9 | 116.4 | 166.1 | 39.6 | 0 | 0 | 0 | 0 | 108.8 | S18 L22 | S18-T20 PolarHBondContact O-N 3.02Å; T20-L22 PolarHBondContact O-N 3.29Å; T20-L22 VanDerWaalsContact O-N 3.11Å |
| 21 | T | 59.1 | Low | 53.4 | Low | 129 Ų | 129 | 134.9 Ų | 134.9 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | | | trans | -61.8 | 108.1 | 169.3 | -48.7 | 0 | 0 | 0 | 0 | 108.6 | T23 | T21-T23 PolarHBondContact O-N 2.96Š|
| 22 | L | 57.5 | Low | 52.7 | Low | 167 Ų | 167 | 132.1 Ų | 132.1 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | | | trans | -73.5 | 92.3 | 168.5 | -105.7 | 147.6 | 0 | 0 | 0 | 107.8 | T20 A24 | T20-L22 PolarHBondContact O-N 3.29Å; T20-L22 VanDerWaalsContact O-N 3.11Å; L22-A24 PolarHBondContact O-N 2.96Å |
| 23 | T | 62.3 | Low | 53 | Low | 118 Ų | 118 | 129.9 Ų | 129.9 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | | | trans | -70.8 | 114.8 | 164.2 | -54.2 | 0 | 0 | 0 | 0 | 107.1 | T21 E25 | T21-T23 PolarHBondContact O-N 2.96Å; T23-E25 PolarHBondContact O-N 2.95Å; T23-E25 VanDerWaalsContact O-N 3.08Å |
| 24 | A | 62.1 | Low | 53 | Low | 86 Ų | 86 | 134.2 Ų | 134.2 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | | | trans | -66.5 | 105.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | L22 T26 | L22-A24 PolarHBondContact O-N 2.96Å; A24-T26 PolarHBondContact O-N 3.18Å; A24-T26 VanDerWaalsContact O-N 3.1Å |
| 25 | E | 57.9 | Low | 53.1 | Low | 195 Ų | 195 | 135 Ų | 135 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | | | trans | -64.9 | 106.4 | 163.3 | -91.3 | -168 | 105.1 | 0 | 0 | 108.6 | T23 A27 | T23-E25 PolarHBondContact O-N 2.95Å; T23-E25 VanDerWaalsContact O-N 3.08Å; E25-A27 PolarHBondContact O-N 2.97Å |
| 26 | T | 59.1 | Low | 53.2 | Low | 102 Ų | 102 | 128.4 Ų | 128.4 | 63% | 0.626 | 77% | 0.774 | S | S | * | * | | | trans | -85.6 | 100.9 | 163.4 | -60.5 | 0 | 0 | 0 | 0 | 107 | A24 H28 | A24-T26 PolarHBondContact O-N 3.18Å; A24-T26 VanDerWaalsContact O-N 3.1Å; T26-H28 PolarHBondContact O-N 2.95Å |
| 27 | A | 56.3 | Low | 53.2 | Low | 94 Ų | 94 | 129.4 Ų | 129.4 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | | | trans | -66.6 | 109.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | E25 | E25-A27 PolarHBondContact O-N 2.97Š|
| 28 | H | 53.8 | Low | 53 | Low | 175 Ų | 175 | 133.7 Ų | 133.7 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | | | trans | -107.4 | 89.2 | 163.3 | -79.6 | -56.8 | 0 | 0 | 0 | 108.4 | T26 | T26-H28 PolarHBondContact O-N 2.95Š|
| 29 | D | 50.4 | Low | 53 | Low | 167 Ų | 167 | 135.2 Ų | 135.2 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | | | trans | -113.9 | 112.5 | 163 | -119.6 | -37.9 | 0 | 0 | 0 | 108.3 | | |
| 30 | R | 49.8 | Very low | 53.4 | Low | 232 Ų | 232 | 134.5 Ų | 134.5 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | | | trans | -143.2 | 129.7 | 168.2 | -178 | 179 | 175.1 | -166.7 | -2.3 | 103.6 | | |
| 31 | P | 43.2 | Very low | 53.3 | Low | 124 Ų | 124 | 134.6 Ų | 134.6 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | | | | -149.6 | 148.1 | 58.8 | 33.4 | -10.7 | 0 | 0 | 0 | 116.9 | | |
| 32 | G | 43.4 | Very low | 53.4 | Low | 77 Ų | 77 | 139.4 Ų | 139.4 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | | | trans | -150.5 | 134.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 33 | S | 52.2 | Low | 53.4 | Low | 99 Ų | 99 | 136.2 Ų | 136.2 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | | | trans | -51.8 | 147.4 | -168.2 | -99.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 34 | E | 45.6 | Very low | 52.9 | Low | 179 Ų | 179 | 138.9 Ų | 138.9 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | | | trans | 61.5 | 111.1 | 133.9 | -61.6 | 170.2 | 102.5 | 0 | 0 | 120.3 | | |
| 35 | S | 53.2 | Low | 52.3 | Low | 118 Ų | 118 | 138.9 Ų | 138.9 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | | -167.2 | 124.4 | 119.2 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 36 | S | 51.1 | Low | 52.2 | Low | 90 Ų | 90 | 138.2 Ų | 138.2 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | | | trans | -37.6 | 144 | 158 | -164.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 37 | N | 53.7 | Low | 51.9 | Low | 137 Ų | 137 | 143.2 Ų | 143.2 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | | | | -157.9 | 117.1 | 54.9 | -46.7 | -69 | 0 | 0 | 0 | 110.1 | T39 | N37-T39 PolarHBondContact O-N 3.34Š|
| 38 | L | 51.7 | Low | 51.8 | Low | 173 Ų | 173 | 142.1 Ų | 142.1 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | | | trans | -88.6 | 103.7 | 173.4 | -166.9 | 85.5 | 0 | 0 | 0 | 108.9 | | |
| 39 | T | 49.3 | Very low | 52.2 | Low | 134 Ų | 134 | 140.2 Ų | 140.2 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | -86.6 | 119.6 | 168.6 | -61.2 | 0 | 0 | 0 | 0 | 109.5 | N37 | N37-T39 PolarHBondContact O-N 3.34Š|
| 40 | T | 53.7 | Low | 52.7 | Low | 109 Ų | 109 | 141.3 Ų | 141.3 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | | | trans | -59.1 | 138.6 | 175.6 | -56.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 41 | T | 54.7 | Low | 53.4 | Low | 122 Ų | 122 | 139 Ų | 139 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | | 163.8 | 110.4 | 122.4 | 40.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 42 | R | 59.9 | Low | 54.3 | Low | 229 Ų | 229 | 138.9 Ų | 138.9 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | | | | 54 | 129.6 | 100.2 | -123.7 | -170.4 | 95.5 | 151.3 | -1.7 | 111.9 | | |
| 43 | T | 58.2 | Low | 55.3 | Low | 100 Ų | 100 | 141.2 Ų | 141.2 | 61% | 0.613 | 77% | 0.771 | S | S | * | * | | | cis | -166.6 | 148.7 | 22.3 | -31.5 | 0 | 0 | 0 | 0 | 102.1 | | |
| 44 | E | 51.9 | Low | 55.7 | Low | 175 Ų | 175 | 140.3 Ų | 140.3 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | | 165.1 | 153.2 | 91.1 | -152.2 | 176.8 | 170.9 | 0 | 0 | 109 | | |
| 45 | A | 48.3 | Very low | 56.6 | Low | 86 Ų | 86 | 136.2 Ų | 136.2 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | | | trans | -76 | 128.1 | -164 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 46 | H | 56.6 | Low | 56.7 | Low | 181 Ų | 181 | 138.7 Ų | 138.7 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | | | trans | -110.3 | 81.5 | 156.6 | -56.5 | -64 | 0 | 0 | 0 | 109 | A48 | H46-A48 PolarHBondContact O-N 3.1Š|
| 47 | K | 52.8 | Low | 57 | Low | 206 Ų | 206 | 140 Ų | 140 | 90% | 0.896 | 74% | 0.742 | S | S | * | * | | | trans | -77.2 | 66.1 | 165.2 | -153.5 | -171.4 | -171.4 | -158.2 | 0 | 108.7 | | |
| 48 | A | 53.9 | Low | 57.1 | Low | 72 Ų | 72 | 139.2 Ų | 139.2 | 60% | 0.595 | 74% | 0.738 | S | S | * | * | | | trans | -87.2 | 106.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108 | H46 K50 | H46-A48 PolarHBondContact O-N 3.1Å; A48-K50 PolarHBondContact O-N 2.89Å |
| 49 | T | 61.8 | Low | 57.4 | Low | 134 Ų | 134 | 135.9 Ų | 135.9 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | | | trans | -58.5 | 87.4 | 168.4 | -55.2 | 0 | 0 | 0 | 0 | 108.9 | K51 | T49-K51 PolarHBondContact O-N 3.02Š|
| 50 | K | 62.7 | Low | 57.7 | Low | 190 Ų | 190 | 136.7 Ų | 136.7 | 83% | 0.826 | 71% | 0.714 | S | S | * | * | | | trans | -71.2 | 110 | 169.6 | -74.2 | -177.6 | 178.1 | 179.5 | 0 | 107.1 | A48 | A48-K50 PolarHBondContact O-N 2.89Š|
| 51 | K | 63 | Low | 58 | Low | 185 Ų | 185 | 138.3 Ų | 138.3 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 136.5 | 166 | -77.5 | 179.8 | 175.4 | 177.7 | 0 | 108.3 | T49 V53 | T49-K51 PolarHBondContact O-N 3.02Å; K51-V53 PolarHBondContact O-N 2.93Å |
| 52 | P | 61.9 | Low | 58.3 | Low | 120 Ų | 120 | 138.1 Ų | 138.1 | 78% | 0.779 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 124.6 | 176.6 | 23 | -30.4 | 0 | 0 | 0 | 108.8 | P54 | P52-P54 WeakPolarHBondContact O-CD 3.35Š|
| 53 | V | 64.5 | Low | 58.3 | Low | 127 Ų | 127 | 132.7 Ų | 132.7 | 77% | 0.77 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 120.2 | 165.2 | 170.5 | 0 | 0 | 0 | 0 | 105.6 | K51 N55 | K51-V53 PolarHBondContact O-N 2.93Å; V53-N55 PolarHBondContact O-N 3.12Å |
| 54 | P | 61.4 | Low | 58.5 | Low | 80 Ų | 80 | 131.9 Ų | 131.9 | 52% | 0.519 | 71% | 0.712 | S | S | . | * | | | trans | -62.1 | 111.2 | 172.3 | 24.5 | -31.3 | 0 | 0 | 0 | 107.6 | P52 W56 | P52-P54 WeakPolarHBondContact O-CD 3.35Å; P54-W56 VanDerWaalsContact CB-NE1 3.33Å; P54-W56 PolarHBondContact O-N 3.26Å |
| 55 | N | 64.9 | Low | 58.8 | Low | 93 Ų | 93 | 128.7 Ų | 128.7 | 50% | 0.497 | 71% | 0.708 | S | S | . | * | | | trans | -76.2 | 69.7 | 172.7 | 60.2 | -22.8 | 0 | 0 | 0 | 108.5 | V53 T57 D58 | V53-N55 PolarHBondContact O-N 3.12Å; N55-T57 PolarHBondContact O-N 2.71Å; N55-D58 PolarHBondContact ND2-OD2 3.06Å; N55-D58 PolarHBondContact O-N 2.84Å; N55-D58 VanDerWaalsContact O-N 3.1Å |
| 56 | W | 54.3 | Low | 59.6 | Low | 170 Ų | 170 | 132.6 Ų | 132.6 | 64% | 0.644 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -54.7 | -12.9 | 173.5 | -60.9 | 88.7 | 0 | 0 | 0 | 113 | P54 Y60 | P54-W56 VanDerWaalsContact CB-NE1 3.33Å; P54-W56 PolarHBondContact O-N 3.26Å; W56-Y60 HydrophobicContact CE3-CD2 4.39Å; W56-Y60 AromaticContact CE3-CE2 3.59Å; W56-Y60 HydrophobicContact CE3-CE2 3.59Å; W56-Y60 HydrophobicContact CZ3-CE2 4.06Å |
| 57 | T | 57 | Low | 60 | Low | 116 Ų | 116 | 129.7 Ų | 129.7 | 71% | 0.712 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -71.1 | -25.9 | 178.3 | -27.3 | 0 | 0 | 0 | 0 | 113.5 | N55 | N55-T57 PolarHBondContact O-N 2.71Å |
| 58 | D | 56.7 | Low | 60.6 | Low | 122 Ų | 122 | 130.3 Ų | 130.3 | 65% | 0.652 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -94.2 | -29.8 | -174.6 | -99.5 | -21.1 | 0 | 0 | 0 | 114.4 | N55 | N55-D58 PolarHBondContact ND2-OD2 3.06Å; N55-D58 PolarHBondContact O-N 2.84Å; N55-D58 VanDerWaalsContact O-N 3.1Å |
| 59 | T | 57 | Low | 61.2 | Low | 102 Ų | 102 | 129.1 Ų | 129.1 | 63% | 0.626 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -91.5 | -10.4 | -167.9 | -46.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 60 | Y | 57 | Low | 61.5 | Low | 151 Ų | 151 | 129.6 Ų | 129.6 | 59% | 0.592 | 70% | 0.699 | S | S | * | * | | | trans | -118.5 | 8.9 | -173.5 | -62.4 | -81.5 | 0 | 0 | 0 | 115 | W56 I62 | W56-Y60 HydrophobicContact CE3-CD2 4.39Å; W56-Y60 AromaticContact CE3-CE2 3.59Å; W56-Y60 HydrophobicContact CE3-CE2 3.59Å; W56-Y60 HydrophobicContact CZ3-CE2 4.06Å; Y60-I62 PolarHBondContact O-N 3.25Å |
| 61 | L | 59.4 | Low | 61.6 | Low | 144 Ų | 144 | 127.3 Ų | 127.3 | 75% | 0.754 | 69% | 0.692 | S | S | * | * | | | trans | -76.5 | 57.2 | 165.7 | -63 | -177.7 | 0 | 0 | 0 | 110 | S63 | L61-S63 PolarHBondContact O-N 3.04Š|
| 62 | I | 61 | Low | 61.7 | Low | 117 Ų | 117 | 123.3 Ų | 123.3 | 60% | 0.6 | 68% | 0.684 | S | S | * | * | | | trans | -62.8 | 111.8 | 160.9 | -60.4 | 173.6 | 0 | 0 | 0 | 104.4 | Y60 A64 | Y60-I62 PolarHBondContact O-N 3.25Å; I62-A64 PolarHBondContact O-N 2.88Å |
| 63 | S | 60.7 | Low | 61.8 | Low | 115 Ų | 115 | 120.8 Ų | 120.8 | 80% | 0.804 | 66% | 0.664 | S | S | * | * | | | trans | -54.3 | 93.4 | 169 | -70.8 | 0 | 0 | 0 | 0 | 108.1 | L61 C65 | L61-S63 PolarHBondContact O-N 3.04Å; S63-C65 PolarHBondContact O-N 3.34Å |
| 64 | A | 62.7 | Low | 61.8 | Low | 84 Ų | 84 | 122.6 Ų | 122.6 | 69% | 0.694 | 67% | 0.668 | S | S | * | * | | | trans | -67.1 | 91.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 105.8 | I62 L66 | I62-A64 PolarHBondContact O-N 2.88Å; A64-L66 PolarHBondContact O-N 3.41Å |
| 65 | C | 57.7 | Low | 61.9 | Low | 108 Ų | 108 | 124.2 Ų | 124.2 | 73% | 0.73 | 67% | 0.672 | S | S | * | * | | | trans | -57.2 | 117.1 | 171.2 | -169.7 | 0 | 0 | 0 | 0 | 106.2 | S63 T67 | S63-C65 PolarHBondContact O-N 3.34Å; C65-T67 PolarHBondContact O-N 2.82Å |
| 66 | L | 65.7 | Low | 61.6 | Low | 168 Ų | 168 | 123.5 Ų | 123.5 | 88% | 0.88 | 68% | 0.679 | S | S | * | * | | | trans | -66.2 | 88.6 | 175.4 | -67.3 | 174.8 | 0 | 0 | 0 | 107.3 | A64 R68 | A64-L66 PolarHBondContact O-N 3.41Å; L66-R68 PolarHBondContact O-N 2.86Å; L66-R68 VanDerWaalsContact O-N 3.1Å |
| 67 | T | 63.5 | Low | 61.8 | Low | 119 Ų | 119 | 124.4 Ų | 124.4 | 73% | 0.73 | 69% | 0.687 | S | S | * | * | | | trans | -69.7 | 110 | 172.2 | 52.3 | 0 | 0 | 0 | 0 | 107 | C65 P69 | C65-T67 PolarHBondContact O-N 2.82Å; T67-P69 VanDerWaalsContact O-CD 3.27Å; T67-P69 WeakPolarHBondContact O-CD 3.19Å |
| 68 | R | 66.8 | Low | 61.9 | Low | 219 Ų | 219 | 122.4 Ų | 122.4 | 83% | 0.826 | 67% | 0.672 | S | S | * | * | | | trans | -64.6 | 119.2 | 167.5 | 179.7 | 178.5 | 175.8 | -171.4 | -0.3 | 106.5 | L66 | L66-R68 PolarHBondContact O-N 2.86Å; L66-R68 VanDerWaalsContact O-N 3.1Å |
| 69 | P | 66.5 | Low | 61.8 | Low | 47 Ų | 47 | 121.8 Ų | 121.8 | 31% | 0.305 | 66% | 0.66 | S | S | . | * | | | trans | -63.7 | 140.2 | 174.4 | 23.9 | -29.3 | 0 | 0 | 0 | 108.7 | T67 Q71 | T67-P69 VanDerWaalsContact O-CD 3.27Å; T67-P69 WeakPolarHBondContact O-CD 3.19Å; P69-Q71 PolarHBondContact O-N 3.27Å |
| 70 | P | 67.3 | Low | 62 | Low | 144 Ų | 144 | 122.8 Ų | 122.8 | 94% | 0.935 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -61.9 | -19.7 | -174.9 | 23.7 | -33.6 | 0 | 0 | 0 | 112.9 | | |
| 71 | Q | 65.2 | Low | 62.1 | Low | 143 Ų | 143 | 122.9 Ų | 122.9 | 67% | 0.668 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -129 | 138 | 174.4 | -153.6 | 155.7 | 20.1 | 0 | 0 | 110.3 | P69 I73 | P69-Q71 PolarHBondContact O-N 3.27Å; Q71-I73 PolarHBondContact O-N 2.77Å |
| 72 | P | 65 | Low | 62 | Low | 101 Ų | 101 | 123.1 Ų | 123.1 | 66% | 0.656 | 66% | 0.662 | S | S | * | * | | | trans | -57.4 | 128.8 | 168.1 | 25.1 | -33.1 | 0 | 0 | 0 | 108 | L74 | P72-L74 PolarHBondContact O-N 3.1Å; P72-L74 VanDerWaalsContact O-N 3.09Å |
| 73 | I | 63.9 | Low | 62.1 | Low | 67 Ų | 67 | 119.2 Ų | 119.2 | 34% | 0.344 | 65% | 0.647 | S | S | . | * | | | trans | -77.2 | 108.6 | 177.4 | -58.7 | -171.5 | 0 | 0 | 0 | 105.5 | Q71 L75 L78 R79 | Q71-I73 PolarHBondContact O-N 2.77Å; I73-L75 VanDerWaalsContact CG2-O 3.25Å; I73-L75 WeakPolarHBondContact CG2-O 3.27Å; I73-L75 PolarHBondContact O-N 3.34Å; I73-L78 HydrophobicContact CG2-CB 3.92Å; I73-L78 HydrophobicContact CG2-CD2 4.5Å; I73-R79 HydrophobicContact CB-CG 3.53Å; I73-R79 VanDerWaalsContact CB-NE 3.26Å; I73-R79 HydrophobicContact CD1-CB 4.26Å; I73-R79 HydrophobicContact CD1-CG 3.43Å; I73-R79 VanDerWaalsContact CD1-CG 3.43Å; I73-R79 HydrophobicContact CG1-CG 3.87Å; I73-R79 HydrophobicContact CG2-CG 3.6Å |
| 74 | L | 64.2 | Low | 62.2 | Low | 164 Ų | 164 | 120.8 Ų | 120.8 | 86% | 0.859 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -54.4 | -21.6 | -175.9 | -80.1 | 130.1 | 0 | 0 | 0 | 113.2 | P72 | P72-L74 PolarHBondContact O-N 3.1Å; P72-L74 VanDerWaalsContact O-N 3.09Å |
| 75 | L | 63.3 | Low | 62.4 | Low | 114 Ų | 114 | 121.5 Ų | 121.5 | 60% | 0.597 | 63% | 0.634 | S | S | * | * | | | trans | -131.6 | 112.6 | 178.1 | -62.1 | 171 | 0 | 0 | 0 | 109.2 | I73 K77 L78 | I73-L75 VanDerWaalsContact CG2-O 3.25Å; I73-L75 WeakPolarHBondContact CG2-O 3.27Å; I73-L75 PolarHBondContact O-N 3.34Å; L75-K77 PolarHBondContact O-N 3.39Å; L75-L78 HydrophobicContact CB-CB 4.17Å; L75-L78 WeakPolarHBondContact O-CB 3.44Å; L75-L78 PolarHBondContact O-N 3.25Å |
| 76 | A | 59 | Low | 62.6 | Low | 79 Ų | 79 | 120.5 Ų | 120.5 | 65% | 0.653 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -52.7 | -31.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L78 R79 | A76-L78 VanDerWaalsContact C-N 3.3Å; A76-L78 PolarHBondContact O-N 3.3Å; A76-R79 WeakPolarHBondContact O-CB 3.36Å; A76-R79 PolarHBondContact O-N 3.06Å |
| 77 | K | 58.9 | Low | 62.2 | Low | 188 Ų | 188 | 121.6 Ų | 121.6 | 82% | 0.817 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63.8 | -30.6 | 176.6 | -65.4 | 179.6 | 73.7 | 167.1 | 0 | 113.4 | L75 R79 | L75-K77 PolarHBondContact O-N 3.39Å; K77-R79 VanDerWaalsContact C-N 3.33Å |
| 78 | L | 58.3 | Low | 62.1 | Low | 74 Ų | 74 | 120.3 Ų | 120.3 | 39% | 0.387 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -73.7 | -27.7 | -179.5 | -158.3 | 67.4 | 0 | 0 | 0 | 111.8 | I73 L75 A76 I80 Q81 F82 | I73-L78 HydrophobicContact CG2-CB 3.92Å; I73-L78 HydrophobicContact CG2-CD2 4.5Å; L75-L78 HydrophobicContact CB-CB 4.17Å; L75-L78 WeakPolarHBondContact O-CB 3.44Å; L75-L78 PolarHBondContact O-N 3.25Å; A76-L78 VanDerWaalsContact C-N 3.3Å; A76-L78 PolarHBondContact O-N 3.3Å; L78-I80 VanDerWaalsContact C-N 3.26Å; L78-I80 PolarHBondContact O-N 2.88Å; L78-Q81 PolarHBondContact O-N 3.03Å; L78-F82 HydrophobicContact CD1-CD2 4.05Å; L78-F82 HydrophobicContact CD1-CE2 3.48Å; L78-F82 VanDerWaalsContact CD1-CE2 3.48Å; L78-F82 HydrophobicContact CD2-CE2 4.37Å; L78-F82 HydrophobicContact CG-CD2 3.85Å; L78-F82 HydrophobicContact CG-CE2 3.69Å; L78-F82 WeakPolarHBondContact O-CD2 3.25Å; L78-F82 PolarHBondContact O-N 3.01Å |
| 79 | R | 55.7 | Low | 61.5 | Low | 109 Ų | 109 | 116 Ų | 116 | 41% | 0.411 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -59.7 | -38.7 | 176.3 | -61 | -151.9 | 144.4 | 153 | 1.4 | 112.2 | I73 A76 K77 A83 | I73-R79 HydrophobicContact CB-CG 3.53Å; I73-R79 VanDerWaalsContact CB-NE 3.26Å; I73-R79 HydrophobicContact CD1-CB 4.26Å; I73-R79 HydrophobicContact CD1-CG 3.43Å; I73-R79 VanDerWaalsContact CD1-CG 3.43Å; I73-R79 HydrophobicContact CG1-CG 3.87Å; I73-R79 HydrophobicContact CG2-CG 3.6Å; A76-R79 WeakPolarHBondContact O-CB 3.36Å; A76-R79 PolarHBondContact O-N 3.06Å; K77-R79 VanDerWaalsContact C-N 3.33Å; R79-A83 WeakPolarHBondContact O-CB 2.99Å; R79-A83 PolarHBondContact O-N 3.09Å; R79-A83 VanDerWaalsContact O-N 3.11Å |
| 80 | I | 60.7 | Low | 60.7 | Low | 123 Ų | 123 | 118.3 Ų | 118.3 | 63% | 0.631 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -79.8 | -29.7 | -171.4 | -56.2 | 174.3 | 0 | 0 | 0 | 110.8 | L78 | L78-I80 VanDerWaalsContact C-N 3.26Å; L78-I80 PolarHBondContact O-N 2.88Å |
| 81 | Q | 59.4 | Low | 60.1 | Low | 154 Ų | 154 | 115.7 Ų | 115.7 | 72% | 0.72 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -75 | -28.7 | -180 | -166.9 | 171.4 | 23.9 | 0 | 0 | 113.3 | L78 | L78-Q81 PolarHBondContact O-N 3.03Å |
| 82 | F | 56.9 | Low | 59.7 | Low | 148 Ų | 148 | 115.1 Ų | 115.1 | 65% | 0.649 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -107.6 | -3.3 | -178.8 | -66.9 | -68 | 0 | 0 | 0 | 114.3 | L78 D84 | L78-F82 HydrophobicContact CD1-CD2 4.05Å; L78-F82 HydrophobicContact CD1-CE2 3.48Å; L78-F82 VanDerWaalsContact CD1-CE2 3.48Å; L78-F82 HydrophobicContact CD2-CE2 4.37Å; L78-F82 HydrophobicContact CG-CD2 3.85Å; L78-F82 HydrophobicContact CG-CE2 3.69Å; L78-F82 WeakPolarHBondContact O-CD2 3.25Å; L78-F82 PolarHBondContact O-N 3.01Å; F82-D84 PolarHBondContact O-N 3.38Å; F82-D84 VanDerWaalsContact O-N 3.15Å |
| 83 | A | 62.1 | Low | 59.4 | Low | 35 Ų | 35 | 114.4 Ų | 114.4 | 29% | 0.289 | 60% | 0.601 | S | S | . | * | | | trans | -77.2 | 106.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | R79 F85 | R79-A83 WeakPolarHBondContact O-CB 2.99Å; R79-A83 PolarHBondContact O-N 3.09Å; R79-A83 VanDerWaalsContact O-N 3.11Å; A83-F85 VanDerWaalsContact C-N 3.3Å; A83-F85 HydrophobicContact CB-CD1 4.41Å; A83-F85 HydrophobicContact CB-CD2 3.7Å; A83-F85 HydrophobicContact CB-CE1 3.91Å; A83-F85 HydrophobicContact CB-CE2 3.13Å; A83-F85 HydrophobicContact CB-CG 4.32Å; A83-F85 HydrophobicContact CB-CZ 3.25Å; A83-F85 WeakPolarHBondContact O-CD2 3.1Å; A83-F85 PolarHBondContact O-N 3.29Å |
| 84 | D | 64.3 | Low | 59 | Low | 149 Ų | 149 | 122.2 Ų | 122.2 | 80% | 0.797 | 63% | 0.626 | S | S | * | * | | | trans | -66.1 | 93.8 | 167.6 | -71.2 | -34.8 | 0 | 0 | 0 | 108.2 | F82 P86 | F82-D84 PolarHBondContact O-N 3.38Å; F82-D84 VanDerWaalsContact O-N 3.15Å; D84-P86 VanDerWaalsContact C-CD 3.4Å; D84-P86 WeakPolarHBondContact O-CD 3.35Å |
| 85 | F | 66.4 | Low | 58.6 | Low | 98 Ų | 98 | 117.7 Ų | 117.7 | 43% | 0.43 | 62% | 0.619 | S | S | . | * | | | trans | -99 | 82.9 | 171.6 | -59.9 | -68.4 | 0 | 0 | 0 | 108.2 | A83 Y87 L88 H89 | A83-F85 VanDerWaalsContact C-N 3.3Å; A83-F85 HydrophobicContact CB-CD1 4.41Å; A83-F85 HydrophobicContact CB-CD2 3.7Å; A83-F85 HydrophobicContact CB-CE1 3.91Å; A83-F85 HydrophobicContact CB-CE2 3.13Å; A83-F85 HydrophobicContact CB-CG 4.32Å; A83-F85 HydrophobicContact CB-CZ 3.25Å; A83-F85 WeakPolarHBondContact O-CD2 3.1Å; A83-F85 PolarHBondContact O-N 3.29Å; F85-Y87 PolarHBondContact O-N 2.92Å; F85-L88 HydrophobicContact CB-CB 3.5Å; F85-L88 VanDerWaalsContact CB-CB 3.5Å; F85-L88 HydrophobicContact CB-CD2 4.15Å; F85-L88 HydrophobicContact CB-CG 4.49Å; F85-L88 HydrophobicContact CD2-CD2 3.78Å; F85-L88 HydrophobicContact CE2-CD2 4.46Å; F85-L88 HydrophobicContact CG-CB 4.38Å; F85-L88 HydrophobicContact CG-CD2 4.21Å; F85-L88 PolarHBondContact O-N 3.31Å; F85-H89 PolarHBondContact O-CD2 2.91Å; F85-H89 VanDerWaalsContact O-CD2 3.31Å |
| 86 | P | 60.9 | Low | 57.7 | Low | 87 Ų | 87 | 118.3 Ų | 118.3 | 57% | 0.565 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -21.7 | -177.7 | 21.9 | -33.1 | 0 | 0 | 0 | 112.9 | D84 | D84-P86 VanDerWaalsContact C-CD 3.4Å; D84-P86 WeakPolarHBondContact O-CD 3.35Å |
| 87 | Y | 57.6 | Low | 56.9 | Low | 191 Ų | 191 | 119.8 Ų | 119.8 | 75% | 0.749 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -14 | 177.5 | -51.9 | -70.4 | 0 | 0 | 0 | 114.8 | F85 | F85-Y87 PolarHBondContact O-N 2.92Š|
| 88 | L | 61 | Low | 56.4 | Low | 92 Ų | 92 | 119.9 Ų | 119.9 | 48% | 0.482 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.2 | -13.9 | -179 | -167.8 | 60.1 | 0 | 0 | 0 | 112.7 | F85 C90 S91 | F85-L88 HydrophobicContact CB-CB 3.5Å; F85-L88 VanDerWaalsContact CB-CB 3.5Å; F85-L88 HydrophobicContact CB-CD2 4.15Å; F85-L88 HydrophobicContact CB-CG 4.49Å; F85-L88 HydrophobicContact CD2-CD2 3.78Å; F85-L88 HydrophobicContact CE2-CD2 4.46Å; F85-L88 HydrophobicContact CG-CB 4.38Å; F85-L88 HydrophobicContact CG-CD2 4.21Å; F85-L88 PolarHBondContact O-N 3.31Å; L88-C90 PolarHBondContact O-N 3.15Å; L88-S91 PolarHBondContact O-OG 3.49Å |
| 89 | H | 55.1 | Low | 56.3 | Low | 130 Ų | 130 | 122.2 Ų | 122.2 | 60% | 0.602 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -69.6 | -16.3 | 178 | -75 | -86 | 0 | 0 | 0 | 113.8 | F85 S91 | F85-H89 PolarHBondContact O-CD2 2.91Å; F85-H89 VanDerWaalsContact O-CD2 3.31Å; H89-S91 VanDerWaalsContact C-N 3.3Å; H89-S91 PolarHBondContact O-N 3.11Å |
| 90 | C | 49.6 | Very low | 56.3 | Low | 95 Ų | 95 | 122.8 Ų | 122.8 | 64% | 0.642 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -74.9 | -14.6 | -175.3 | -60.5 | 0 | 0 | 0 | 0 | 114.2 | L88 | L88-C90 PolarHBondContact O-N 3.15Š|
| 91 | S | 54.1 | Low | 56 | Low | 88 Ų | 88 | 122.8 Ų | 122.8 | 62% | 0.615 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -101.3 | -12.9 | -179.5 | 48.8 | 0 | 0 | 0 | 0 | 114.8 | L88 H89 | L88-S91 PolarHBondContact O-OG 3.49Å; H89-S91 VanDerWaalsContact C-N 3.3Å; H89-S91 PolarHBondContact O-N 3.11Å |
| 92 | I | 57.6 | Low | 55.8 | Low | 131 Ų | 131 | 121 Ų | 121 | 67% | 0.672 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | -25.4 | -175.2 | -58.1 | 175.4 | 0 | 0 | 0 | 111.8 | R94 | I92-R94 VanDerWaalsContact C-N 3.31Å; I92-R94 PolarHBondContact O-N 3.46Å |
| 93 | A | 58.6 | Low | 55.8 | Low | 86 Ų | 86 | 119.3 Ų | 119.3 | 71% | 0.711 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -79.2 | -4.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 94 | R | 56 | Low | 55.4 | Low | 232 Ų | 232 | 124.9 Ų | 124.9 | 88% | 0.875 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -102.4 | 65.3 | 174.7 | -68.2 | -176 | -177.6 | 157.1 | 1.7 | 110.3 | I92 | I92-R94 VanDerWaalsContact C-N 3.31Å; I92-R94 PolarHBondContact O-N 3.46Å |
| 95 | G | 55.1 | Low | 54.7 | Low | 69 Ų | 69 | 123.2 Ų | 123.2 | 71% | 0.711 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -169.5 | -5.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 96 | C | 45.2 | Very low | 53.8 | Low | 126 Ų | 126 | 125.2 Ų | 125.2 | 85% | 0.851 | 73% | 0.729 | S | S | * | * | | | trans | -126 | 93.3 | 177.2 | -70.3 | 0 | 0 | 0 | 0 | 110 | | |
| 97 | S | 42.4 | Very low | 53.2 | Low | 110 Ų | 110 | 128.3 Ų | 128.3 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | | | trans | -116.1 | 128 | 158.2 | 152.8 | 0 | 0 | 0 | 0 | 106.4 | | |
| 98 | P | 46.6 | Very low | 52.8 | Low | 190 Ų | 190 | 122.6 Ų | 122.6 | 100% | 1.234 | 74% | 0.742 | S | S | * | * | | | | -75.5 | 0 | 129.7 | 31.8 | -23.6 | 0 | 0 | 0 | 110.7 | | |