| 1 | M | 38.5 | Very low | 43.3 | Very low | 235 Ų | 235 | 159.9 Ų | 159.9 | 100% | 1.158 | 85% | 0.853 | S | S | * | * | | | | 0 | 115.3 | 0 | 52.6 | -151.5 | -89.1 | 0 | 0 | 106.9 | | |
| 2 | S | 44.3 | Very low | 43.5 | Very low | 109 Ų | 109 | 155.5 Ų | 155.5 | 76% | 0.762 | 84% | 0.84 | S | S | * | * | | | cis | -158.4 | 148 | 3.5 | -77.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 3 | Q | 39.8 | Very low | 43.4 | Very low | 191 Ų | 191 | 151.2 Ų | 151.2 | 89% | 0.893 | 84% | 0.839 | S | S | * | * | | | trans | 33.1 | 123 | 144.4 | -61.6 | -116.9 | 82.6 | 0 | 0 | 119.4 | | |
| 4 | A | 47.9 | Very low | 42.7 | Very low | 94 Ų | 94 | 149.1 Ų | 149.1 | 78% | 0.777 | 84% | 0.838 | S | S | * | * | | | trans | -59.7 | 140 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 5 | E | 47.9 | Very low | 43.2 | Very low | 184 Ų | 184 | 151.5 Ų | 151.5 | 86% | 0.86 | 84% | 0.839 | S | S | * | * | | | trans | -154.9 | 112.8 | 150.1 | -154.6 | 135.7 | 82.7 | 0 | 0 | 107.2 | | |
| 6 | Q | 41.8 | Very low | 43.4 | Very low | 198 Ų | 198 | 150.5 Ų | 150.5 | 93% | 0.925 | 84% | 0.839 | S | S | * | * | | | trans | -116.8 | 129.3 | 168.5 | -70.7 | -170.5 | 20 | 0 | 0 | 107.2 | | |
| 7 | V | 39.1 | Very low | 42.9 | Very low | 132 Ų | 132 | 149.7 Ų | 149.7 | 80% | 0.8 | 83% | 0.832 | S | S | * | * | | | trans | -105.7 | 145.9 | 177.1 | 168.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 8 | P | 49.1 | Very low | 43 | Very low | 102 Ų | 102 | 151.3 Ų | 151.3 | 66% | 0.662 | 83% | 0.833 | S | S | * | * | | | trans | -108.1 | 155.7 | -146 | 38.2 | -28.1 | 0 | 0 | 0 | 112.7 | | |
| 9 | E | 42.9 | Very low | 43.2 | Very low | 183 Ų | 183 | 148.5 Ų | 148.5 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | | | trans | -153 | 111.9 | 151.7 | -87.6 | -67.7 | 67.7 | 0 | 0 | 109.4 | | |
| 10 | D | 44.2 | Very low | 42.8 | Very low | 154 Ų | 154 | 150 Ų | 150 | 82% | 0.824 | 82% | 0.822 | S | S | * | * | | | trans | 62.3 | 98.8 | 136.6 | -134.3 | -121 | 0 | 0 | 0 | 120.4 | | |
| 11 | M | 40.8 | Very low | 43.2 | Very low | 177 Ų | 177 | 147.2 Ų | 147.2 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | | | trans | -90.6 | 162.1 | -179.2 | -152.7 | 134.5 | 148.4 | 0 | 0 | 110.1 | | |
| 12 | P | 45.3 | Very low | 43.3 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | | | trans | -78.1 | 158.9 | -153.4 | 36.3 | -36.8 | 0 | 0 | 0 | 114 | C14 | P12-C14 PolarHBondContact O-N 2.63Š|
| 13 | A | 42.9 | Very low | 43.1 | Very low | 100 Ų | 100 | 143.2 Ų | 143.2 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | | | trans | -5.4 | 101.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | H15 | A13-H15 PolarHBondContact O-N 3.39Š|
| 14 | C | 33.3 | Very low | 43.5 | Very low | 121 Ų | 121 | 137.6 Ų | 137.6 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | -54.7 | 99.9 | 177.4 | -52.1 | 0 | 0 | 0 | 0 | 111.2 | P12 | P12-C14 PolarHBondContact O-N 2.63Š|
| 15 | H | 49.7 | Very low | 43.2 | Very low | 185 Ų | 185 | 140.7 Ų | 140.7 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | | | trans | -116.9 | 112.1 | 157.9 | -134.1 | -65.1 | 0 | 0 | 0 | 107 | A13 | A13-H15 PolarHBondContact O-N 3.39Š|
| 16 | T | 46.3 | Very low | 43.5 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | | | trans | 93.1 | 87.3 | -174.2 | -34.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 17 | D | 35.6 | Very low | 43.9 | Very low | 137 Ų | 137 | 139 Ų | 139 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | | | trans | -134.5 | 102.7 | 164.1 | -164.6 | -102.1 | 0 | 0 | 0 | 108.2 | | |
| 18 | E | 44.1 | Very low | 44.4 | Very low | 179 Ų | 179 | 140.9 Ų | 140.9 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | | | trans | -63.6 | 148.2 | 133.8 | -91.2 | -175.9 | 67.6 | 0 | 0 | 106.3 | | |
| 19 | P | 46.6 | Very low | 44.5 | Very low | 97 Ų | 97 | 140.7 Ų | 140.7 | 63% | 0.63 | 78% | 0.781 | S | S | * | * | | | cis | -142.8 | 149.8 | 22.5 | 36.3 | -15.5 | 0 | 0 | 0 | 115.4 | A21 | P19-A21 PolarHBondContact O-N 3.32Š|
| 20 | E | 36.6 | Very low | 45 | Very low | 178 Ų | 178 | 139 Ų | 139 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | | | trans | -97.7 | 88.6 | 166.4 | -153.5 | -175.5 | 132.5 | 0 | 0 | 110.6 | T22 | E20-T22 PolarHBondContact O-N 3.07Å; E20-T22 PolarHBondContact OE1-OG1 2.81Å |
| 21 | A | 49.6 | Very low | 45.1 | Very low | 93 Ų | 93 | 137.5 Ų | 137.5 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | trans | -81.6 | 86.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | P19 D23 | P19-A21 PolarHBondContact O-N 3.32Å; A21-D23 PolarHBondContact O-N 2.79Å |
| 22 | T | 42.5 | Very low | 45.5 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 71% | 0.712 | 76% | 0.759 | S | S | * | * | | | trans | -70 | 112 | 178 | -44 | 0 | 0 | 0 | 0 | 110.6 | E20 | E20-T22 PolarHBondContact O-N 3.07Å; E20-T22 PolarHBondContact OE1-OG1 2.81Å |
| 23 | D | 38.9 | Very low | 45.6 | Very low | 144 Ų | 144 | 136.6 Ų | 136.6 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | | | trans | -68.1 | 142.8 | 175.5 | -179.6 | -119.2 | 0 | 0 | 0 | 113.5 | A21 | A21-D23 PolarHBondContact O-N 2.79Š|
| 24 | A | 47.7 | Very low | 46.1 | Very low | 72 Ų | 72 | 134.1 Ų | 134.1 | 60% | 0.595 | 75% | 0.749 | S | S | * | * | | | trans | 28.2 | 110.1 | 152.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 25 | N | 41.6 | Very low | 47.1 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | | | | -158.8 | 143.3 | 109.3 | -149.6 | -94.2 | 0 | 0 | 0 | 112.6 | | |
| 26 | K | 54.9 | Low | 47.4 | Very low | 193 Ų | 193 | 138.3 Ų | 138.3 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | | | trans | -69.9 | 122.4 | -171.6 | -60.2 | 167.1 | 177.5 | 175.5 | 0 | 111.9 | | |
| 27 | D | 49.5 | Very low | 47.6 | Very low | 152 Ų | 152 | 134.7 Ų | 134.7 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | | | | 176.8 | 79.8 | 128.6 | -153.5 | -96.1 | 0 | 0 | 0 | 108.2 | | |
| 28 | H | 50 | Low | 48.7 | Very low | 172 Ų | 172 | 140.7 Ų | 140.7 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | | | trans | -132.4 | 109.7 | 166.3 | -158.3 | 66.9 | 0 | 0 | 0 | 107.8 | Q30 | H28-Q30 PolarHBondContact O-N 3.43Š|
| 29 | P | 50.5 | Low | 48.9 | Very low | 98 Ų | 98 | 139.7 Ų | 139.7 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | | | trans | -59.4 | 114.2 | 178.7 | 22.1 | -30 | 0 | 0 | 0 | 108.7 | T31 | P29-T31 PolarHBondContact O-N 3.27Å; P29-T31 PolarHBondContact O-OG1 3.31Å |
| 30 | Q | 54.4 | Low | 49.1 | Very low | 148 Ų | 148 | 140 Ų | 140 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | | | trans | -47.8 | 96.5 | 174 | -174 | -164 | 17.8 | 0 | 0 | 110.2 | H28 Q32 | H28-Q30 PolarHBondContact O-N 3.43Å; Q30-Q32 VanDerWaalsContact C-N 3.28Å; Q30-Q32 HydrophobicContact CG-CG 3.74Å; Q30-Q32 PolarHBondContact O-N 2.79Å; Q30-Q32 VanDerWaalsContact O-N 3.1Å |
| 31 | T | 46.9 | Very low | 49.6 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | trans | -85.6 | 81.9 | 168.1 | -53 | 0 | 0 | 0 | 0 | 106.8 | P29 P33 | P29-T31 PolarHBondContact O-N 3.27Å; P29-T31 PolarHBondContact O-OG1 3.31Å; T31-P33 WeakPolarHBondContact O-CD 3.26Å |
| 32 | Q | 47.7 | Very low | 49.6 | Very low | 141 Ų | 141 | 133.5 Ų | 133.5 | 66% | 0.659 | 76% | 0.759 | S | S | * | * | | | trans | -65.9 | 118.1 | 161.7 | -65.5 | -157.8 | -30.2 | 0 | 0 | 107.3 | Q30 G34 | Q30-Q32 VanDerWaalsContact C-N 3.28Å; Q30-Q32 HydrophobicContact CG-CG 3.74Å; Q30-Q32 PolarHBondContact O-N 2.79Å; Q30-Q32 VanDerWaalsContact O-N 3.1Å; Q32-G34 PolarHBondContact O-N 3.35Å |
| 33 | P | 48.7 | Very low | 49.8 | Very low | 124 Ų | 124 | 136.4 Ų | 136.4 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | | | trans | -79.6 | 60.4 | 166.8 | -4.8 | 26.4 | 0 | 0 | 0 | 107.6 | T31 M35 | T31-P33 WeakPolarHBondContact O-CD 3.26Å; P33-M35 PolarHBondContact O-N 2.99Å; P33-M35 VanDerWaalsContact O-N 3.14Å |
| 34 | G | 52.4 | Low | 50.4 | Low | 49 Ų | 49 | 140.2 Ų | 140.2 | 51% | 0.505 | 77% | 0.774 | S | S | . | * | | | trans | -69 | 103.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | Q32 | Q32-G34 PolarHBondContact O-N 3.35Š|
| 35 | M | 55.7 | Low | 50.3 | Low | 185 Ų | 185 | 139.7 Ų | 139.7 | 91% | 0.911 | 78% | 0.776 | S | S | * | * | | | trans | 56.4 | 65.2 | 148.9 | -144.9 | 148.8 | 68.9 | 0 | 0 | 116 | P33 G37 | P33-M35 PolarHBondContact O-N 2.99Å; P33-M35 VanDerWaalsContact O-N 3.14Å; M35-G37 PolarHBondContact O-N 3.27Å |
| 36 | F | 54.3 | Low | 50.7 | Low | 209 Ų | 209 | 136.7 Ų | 136.7 | 92% | 0.917 | 77% | 0.774 | S | S | * | * | | | trans | -85.9 | 104.7 | 157.7 | -86.5 | -89.9 | 0 | 0 | 0 | 108.7 | | |
| 37 | G | 50.3 | Low | 50.3 | Low | 60 Ų | 60 | 133.6 Ų | 133.6 | 62% | 0.619 | 77% | 0.771 | S | S | * | * | | | trans | -56.5 | 161.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114 | M35 L39 | M35-G37 PolarHBondContact O-N 3.27Å; G37-L39 PolarHBondContact O-N 3.42Å |
| 38 | R | 59.2 | Low | 50.3 | Low | 263 Ų | 263 | 136.6 Ų | 136.6 | 99% | 0.992 | 78% | 0.777 | S | S | * | * | | | trans | -60.2 | 84.5 | 159.7 | -62 | -172.2 | -153.5 | -167.5 | 6 | 108.1 | | |
| 39 | L | 48.5 | Very low | 50.3 | Low | 158 Ų | 158 | 132 Ų | 132 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | | | trans | -102.4 | 107.5 | 163.5 | -150.5 | 93.7 | 0 | 0 | 0 | 106.6 | G37 G41 | G37-L39 PolarHBondContact O-N 3.42Å; L39-G41 PolarHBondContact O-N 3.26Å |
| 40 | A | 50.3 | Low | 50.4 | Low | 102 Ų | 102 | 134.1 Ų | 134.1 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | | | trans | -49.2 | 124.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 41 | G | 47.1 | Very low | 50 | Low | 68 Ų | 68 | 133.8 Ų | 133.8 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 134 | 95.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L39 L43 | L39-G41 PolarHBondContact O-N 3.26Å; G41-L43 PolarHBondContact O-N 2.75Å |
| 42 | G | 51.2 | Low | 50.2 | Low | 68 Ų | 68 | 130.9 Ų | 130.9 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | | | trans | -51.3 | 129.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y44 | G42-Y44 PolarHBondContact O-N 2.96Š|
| 43 | L | 46 | Very low | 50.3 | Low | 176 Ų | 176 | 127.9 Ų | 127.9 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | | | trans | -82 | 96.1 | 164 | -162.6 | 68.3 | 0 | 0 | 0 | 107.6 | G41 G45 | G41-L43 PolarHBondContact O-N 2.75Å; L43-G45 PolarHBondContact O-N 3.13Å |
| 44 | Y | 51.2 | Low | 50.5 | Low | 224 Ų | 224 | 127.2 Ų | 127.2 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | | | trans | -66.3 | 85.9 | 168.2 | -86.8 | -96.5 | 0 | 0 | 0 | 109 | G42 A46 | G42-Y44 PolarHBondContact O-N 2.96Å; Y44-A46 PolarHBondContact O-N 3.13Å; Y44-A46 VanDerWaalsContact O-N 3.13Å |
| 45 | G | 46 | Very low | 50.7 | Low | 61 Ų | 61 | 130.9 Ų | 130.9 | 63% | 0.629 | 80% | 0.795 | S | S | * | * | | | trans | -72 | 94.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | L43 T47 | L43-G45 PolarHBondContact O-N 3.13Å; G45-T47 PolarHBondContact O-N 3.42Å |
| 46 | A | 48.9 | Very low | 50.7 | Low | 98 Ų | 98 | 132.4 Ų | 132.4 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | | | trans | -73.4 | 74.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y44 K48 | Y44-A46 PolarHBondContact O-N 3.13Å; Y44-A46 VanDerWaalsContact O-N 3.13Å; A46-K48 PolarHBondContact O-N 2.89Å |
| 47 | T | 47.8 | Very low | 50.9 | Low | 127 Ų | 127 | 130 Ų | 130 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | trans | -64.4 | 125.6 | 159.3 | 9.7 | 0 | 0 | 0 | 0 | 107 | G45 A49 | G45-T47 PolarHBondContact O-N 3.42Å; T47-A49 PolarHBondContact O-N 3.43Å |
| 48 | K | 50.1 | Low | 50.5 | Low | 216 Ų | 216 | 131.1 Ų | 131.1 | 94% | 0.939 | 80% | 0.797 | S | S | * | * | | | trans | -63.8 | 86.5 | 171.2 | -69.9 | -155.4 | -179.5 | -172.5 | 0 | 109.1 | A46 | A46-K48 PolarHBondContact O-N 2.89Š|
| 49 | A | 49.7 | Very low | 49.7 | Very low | 75 Ų | 75 | 121.2 Ų | 121.2 | 62% | 0.62 | 78% | 0.777 | S | S | * | * | | | trans | -86.5 | 118.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | T47 V51 | T47-A49 PolarHBondContact O-N 3.43Å; A49-V51 VanDerWaalsContact C-N 3.25Å; A49-V51 PolarHBondContact O-N 2.74Å |
| 50 | T | 52.3 | Low | 50 | Low | 143 Ų | 143 | 123.8 Ų | 123.8 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | | | trans | -67.4 | 89.9 | 167.1 | -56.6 | 0 | 0 | 0 | 0 | 108.1 | G52 | T50-G52 PolarHBondContact O-N 2.89Š|
| 51 | V | 45.7 | Very low | 50 | Low | 141 Ų | 141 | 122.4 Ų | 122.4 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | | | trans | -82 | 108.3 | 167 | 167.9 | 0 | 0 | 0 | 0 | 107.1 | A49 | A49-V51 VanDerWaalsContact C-N 3.25Å; A49-V51 PolarHBondContact O-N 2.74Å |
| 52 | G | 51.6 | Low | 50.2 | Low | 60 Ų | 60 | 126.7 Ų | 126.7 | 62% | 0.619 | 77% | 0.772 | S | S | * | * | | | trans | 131.3 | 67.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | T50 | T50-G52 PolarHBondContact O-N 2.89Š|
| 53 | G | 50.4 | Low | 50.2 | Low | 78 Ų | 78 | 130 Ų | 130 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | trans | -99.9 | 93.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 54 | V | 51.1 | Low | 50.4 | Low | 110 Ų | 110 | 128.3 Ų | 128.3 | 67% | 0.667 | 76% | 0.764 | S | S | * | * | | | trans | -106.8 | 111.4 | 171.2 | 176.3 | 0 | 0 | 0 | 0 | 107.7 | W56 | V54-W56 HydrophobicContact CG1-CZ2 4.42Š|
| 55 | T | 58.4 | Low | 50.3 | Low | 127 Ų | 127 | 120.7 Ų | 120.7 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | | | trans | -100.5 | 119.7 | 173.9 | -58.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 56 | W | 54.3 | Low | 50.3 | Low | 217 Ų | 217 | 126.1 Ų | 126.1 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | | | trans | -88.6 | 126.2 | 175.5 | -66.4 | 87.2 | 0 | 0 | 0 | 110 | V54 | V54-W56 HydrophobicContact CG1-CZ2 4.42Š|
| 57 | I | 58.9 | Low | 50.3 | Low | 157 Ų | 157 | 126.5 Ų | 126.5 | 81% | 0.805 | 74% | 0.74 | S | S | * | * | | | trans | -98.3 | 106.1 | 172.5 | -73.6 | 168.1 | 0 | 0 | 0 | 108.1 | | |
| 58 | G | 42.6 | Very low | 50.3 | Low | 85 Ų | 85 | 122.9 Ų | 122.9 | 88% | 0.876 | 72% | 0.723 | S | S | * | * | | | trans | -102.3 | 91.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 59 | G | 42.5 | Very low | 50 | Low | 55 Ų | 55 | 116.6 Ų | 116.6 | 57% | 0.567 | 70% | 0.702 | S | S | * | * | | | trans | -100.9 | 120.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S61 | G59-S61 PolarHBondContact O-N 2.88Š|
| 60 | K | 55 | Low | 49.9 | Very low | 211 Ų | 211 | 117.1 Ų | 117.1 | 92% | 0.917 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -73.4 | 73 | 168.5 | -82 | 171.2 | 148.7 | 167.4 | 0 | 110 | | |
| 61 | S | 48.3 | Very low | 49.8 | Very low | 73 Ų | 73 | 114.7 Ų | 114.7 | 51% | 0.51 | 69% | 0.686 | S | S | . | * | | | trans | 175.6 | 106.1 | 158.8 | -79.3 | 0 | 0 | 0 | 0 | 109.7 | G59 D63 T65 | G59-S61 PolarHBondContact O-N 2.88Å; S61-D63 PolarHBondContact O-N 3.43Å; S61-T65 PolarHBondContact O-OG1 2.85Å |
| 62 | L | 52.6 | Low | 49.9 | Very low | 158 Ų | 158 | 113.1 Ų | 113.1 | 83% | 0.827 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -23.4 | 180 | -167.9 | 83.8 | 0 | 0 | 0 | 113 | | |
| 63 | D | 50.1 | Low | 49.8 | Very low | 138 Ų | 138 | 113.6 Ų | 113.6 | 74% | 0.738 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -28.5 | -171.2 | -96.5 | -81.3 | 0 | 0 | 0 | 115.9 | S61 T65 | S61-D63 PolarHBondContact O-N 3.43Å; D63-T65 VanDerWaalsContact C-N 3.25Å; D63-T65 PolarHBondContact O-N 2.68Å |
| 64 | L | 51.6 | Low | 49.8 | Very low | 140 Ų | 140 | 112.7 Ų | 112.7 | 73% | 0.733 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -11.9 | 172.5 | -71.5 | 174.5 | 0 | 0 | 0 | 112.7 | | |
| 65 | T | 48.1 | Very low | 49.7 | Very low | 64 Ų | 64 | 112.7 Ų | 112.7 | 39% | 0.393 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -76.1 | -30.3 | -176 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | S61 D63 T67 V69 | S61-T65 PolarHBondContact O-OG1 2.85Å; D63-T65 VanDerWaalsContact C-N 3.25Å; D63-T65 PolarHBondContact O-N 2.68Å; T65-T67 PolarHBondContact O-N 3.14Å; T65-V69 HydrophobicContact CG2-CG2 3.47Å; T65-V69 VanDerWaalsContact CG2-CG2 3.47Å; T65-V69 WeakPolarHBondContact O-CB 3.34Å; T65-V69 WeakPolarHBondContact O-CG2 2.89Å; T65-V69 PolarHBondContact O-N 3.48Å |
| 66 | K | 46.3 | Very low | 49.2 | Very low | 175 Ų | 175 | 111 Ų | 111 | 76% | 0.761 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -64.1 | -38.3 | -177.4 | -92.7 | -170.9 | 165.4 | -166.5 | 0 | 113.9 | | |
| 67 | T | 49.7 | Very low | 48.9 | Very low | 107 Ų | 107 | 107 Ų | 107 | 66% | 0.656 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -89 | -34 | -176.6 | -41.6 | 0 | 0 | 0 | 0 | 111.8 | T65 C70 T71 | T65-T67 PolarHBondContact O-N 3.14Å; T67-C70 PolarHBondContact O-N 2.94Å; T67-T71 PolarHBondContact O-N 2.78Å |
| 68 | A | 47.7 | Very low | 48.5 | Very low | 50 Ų | 50 | 107.9 Ų | 107.9 | 41% | 0.413 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -74.9 | -32.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | C70 T71 V72 | A68-C70 VanDerWaalsContact C-N 3.29Å; A68-T71 PolarHBondContact O-OG1 3.41Å; A68-T71 PolarHBondContact O-N 3.49Å; A68-V72 WeakPolarHBondContact O-CB 3.39Å; A68-V72 WeakPolarHBondContact O-CG2 3.15Å; A68-V72 PolarHBondContact O-N 2.88Å |
| 69 | V | 43.4 | Very low | 48.6 | Very low | 84 Ų | 84 | 105.7 Ų | 105.7 | 51% | 0.509 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -68.8 | -31.5 | 172.3 | 169.8 | 0 | 0 | 0 | 0 | 110.5 | T65 A73 | T65-V69 HydrophobicContact CG2-CG2 3.47Å; T65-V69 VanDerWaalsContact CG2-CG2 3.47Å; T65-V69 WeakPolarHBondContact O-CB 3.34Å; T65-V69 WeakPolarHBondContact O-CG2 2.89Å; T65-V69 PolarHBondContact O-N 3.48Å; V69-A73 WeakPolarHBondContact O-CA 3.12Å; V69-A73 WeakPolarHBondContact O-CB 3.15Å; V69-A73 PolarHBondContact O-N 3.38Å |
| 70 | C | 48.3 | Very low | 48.8 | Very low | 86 Ų | 86 | 110.8 Ų | 110.8 | 58% | 0.581 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -70.3 | -36.8 | 174.7 | -133.5 | 0 | 0 | 0 | 0 | 112 | T67 A68 A74 | T67-C70 PolarHBondContact O-N 2.94Å; A68-C70 VanDerWaalsContact C-N 3.29Å; C70-A74 PolarHBondContact O-N 2.96Å; C70-A74 WeakPolarHBondContact O-CB 3.33Å; C70-A74 WeakPolarHBondContact O-CA 3.39Å |
| 71 | T | 48.2 | Very low | 48.6 | Very low | 93 Ų | 93 | 103.9 Ų | 103.9 | 57% | 0.571 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -78.7 | -33.3 | 177.8 | 57.3 | 0 | 0 | 0 | 0 | 113.5 | T67 A68 | T67-T71 PolarHBondContact O-N 2.78Å; A68-T71 PolarHBondContact O-OG1 3.41Å; A68-T71 PolarHBondContact O-N 3.49Å |
| 72 | V | 48.8 | Very low | 48.8 | Very low | 108 Ų | 108 | 108.2 Ų | 108.2 | 66% | 0.655 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -76.1 | -29.5 | 172 | 171.4 | 0 | 0 | 0 | 0 | 111.9 | A68 | A68-V72 WeakPolarHBondContact O-CB 3.39Å; A68-V72 WeakPolarHBondContact O-CG2 3.15Å; A68-V72 PolarHBondContact O-N 2.88Å |
| 73 | A | 49.9 | Very low | 48.5 | Very low | 70 Ų | 70 | 105.9 Ų | 105.9 | 58% | 0.579 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -84.6 | -21.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V69 | V69-A73 WeakPolarHBondContact O-CA 3.12Å; V69-A73 WeakPolarHBondContact O-CB 3.15Å; V69-A73 PolarHBondContact O-N 3.38Å |
| 74 | A | 49 | Very low | 48.5 | Very low | 59 Ų | 59 | 110 Ų | 110 | 49% | 0.488 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -88.8 | -7.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | C70 | C70-A74 PolarHBondContact O-N 2.96Å; C70-A74 WeakPolarHBondContact O-CB 3.33Å; C70-A74 WeakPolarHBondContact O-CA 3.39Å |
| 75 | V | 49.8 | Very low | 48.6 | Very low | 109 Ų | 109 | 107 Ų | 107 | 66% | 0.661 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.8 | 85.7 | 168 | -171.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 76 | P | 47 | Very low | 48.7 | Very low | 93 Ų | 93 | 106.8 Ų | 106.8 | 60% | 0.604 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | | -136.7 | 73 | 90.9 | 36.5 | -21.9 | 0 | 0 | 0 | 112.6 | | |
| 77 | V | 49.5 | Very low | 48.8 | Very low | 131 Ų | 131 | 104.8 Ų | 104.8 | 79% | 0.794 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -82.1 | -3.4 | 156.5 | -176.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 78 | M | 49.3 | Very low | 48.6 | Very low | 177 Ų | 177 | 104.4 Ų | 104.4 | 87% | 0.872 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -109.3 | 88 | 165.9 | -74.3 | -69.2 | -167.7 | 0 | 0 | 108.6 | | |
| 79 | G | 46.4 | Very low | 48.9 | Very low | 38 Ų | 38 | 107.1 Ų | 107.1 | 39% | 0.392 | 70% | 0.696 | S | S | . | * | | | trans | 174.6 | 7.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | G81 | G79-G81 PolarHBondContact O-N 3.49Š|
| 80 | V | 45.8 | Very low | 49.1 | Very low | 162 Ų | 162 | 106 Ų | 106 | 98% | 0.982 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 14.5 | 171.1 | -172.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 81 | G | 50.7 | Low | 49 | Very low | 66 Ų | 66 | 107.3 Ų | 107.3 | 68% | 0.68 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.9 | 5.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | G79 | G79-G81 PolarHBondContact O-N 3.49Š|
| 82 | L | 52.8 | Low | 49.4 | Very low | 164 Ų | 164 | 106 Ų | 106 | 86% | 0.859 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -130.6 | 7.9 | -172.4 | -71.6 | 171.1 | 0 | 0 | 0 | 116.3 | | |
| 83 | V | 45.2 | Very low | 49.7 | Very low | 110 Ų | 110 | 103.7 Ų | 103.7 | 67% | 0.667 | 71% | 0.709 | S | S | * | * | | | trans | -123.2 | 102.1 | 164.4 | -62.2 | 0 | 0 | 0 | 0 | 109.7 | G85 | V83-G85 PolarHBondContact O-N 3.21Š|
| 84 | K | 50.8 | Low | 49.5 | Very low | 225 Ų | 225 | 106.3 Ų | 106.3 | 98% | 0.978 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 83 | 175.4 | -173.9 | 154.5 | -179.8 | 166 | 0 | 109.2 | | |
| 85 | G | 53.2 | Low | 49.4 | Very low | 76 Ų | 76 | 108.5 Ų | 108.5 | 78% | 0.784 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 130.5 | 9.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | V83 V87 | V83-G85 PolarHBondContact O-N 3.21Å; G85-V87 PolarHBondContact O-N 2.81Å |
| 86 | G | 51 | Low | 49.4 | Very low | 59 Ų | 59 | 108.4 Ų | 108.4 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | | | trans | -94.5 | 89.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 87 | V | 47.9 | Very low | 49.5 | Very low | 134 Ų | 134 | 109.2 Ų | 109.2 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | | | trans | -92.8 | 115.5 | 170.5 | 178.6 | 0 | 0 | 0 | 0 | 108.9 | G85 A89 | G85-V87 PolarHBondContact O-N 2.81Å; V87-A89 PolarHBondContact O-N 3.04Å |
| 88 | C | 46.1 | Very low | 49.4 | Very low | 99 Ų | 99 | 106 Ų | 106 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | | | trans | -85.1 | 104 | 168.8 | -157.4 | 0 | 0 | 0 | 0 | 108.2 | V90 | C88-V90 PolarHBondContact O-N 2.85Å; C88-V90 VanDerWaalsContact O-N 3.13Å |
| 89 | A | 54 | Low | 49.5 | Very low | 106 Ų | 106 | 102.5 Ų | 102.5 | 88% | 0.876 | 73% | 0.725 | S | S | * | * | | | trans | -82.1 | 30.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V87 | V87-A89 PolarHBondContact O-N 3.04Š|
| 90 | V | 46.6 | Very low | 49.5 | Very low | 60 Ų | 60 | 104.8 Ų | 104.8 | 36% | 0.364 | 74% | 0.74 | S | S | . | * | S | Bend | trans | -119.6 | 118.3 | 176.5 | 96.1 | 0 | 0 | 0 | 0 | 108.9 | C88 G92 T95 | C88-V90 PolarHBondContact O-N 2.85Å; C88-V90 VanDerWaalsContact O-N 3.13Å; V90-G92 PolarHBondContact O-N 2.9Å; V90-T95 HydrophobicContact CG2-CG2 3.86Å |
| 91 | A | 48 | Very low | 49.5 | Very low | 114 Ų | 114 | 103.8 Ų | 103.8 | 94% | 0.942 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | 106.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 92 | G | 54.8 | Low | 49 | Very low | 66 Ų | 66 | 106 Ų | 106 | 68% | 0.68 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100 | 13.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | V90 V94 | V90-G92 PolarHBondContact O-N 2.9Å; G92-V94 PolarHBondContact O-N 3.18Å |
| 93 | G | 55.7 | Low | 48.6 | Very low | 59 Ų | 59 | 104 Ų | 104 | 61% | 0.608 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 57.8 | -5.4 | 163 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 94 | V | 45.1 | Very low | 49 | Very low | 126 Ų | 126 | 107.3 Ų | 107.3 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | | | trans | -144.3 | 102.7 | -175 | -179.8 | 0 | 0 | 0 | 0 | 107.9 | G92 | G92-V94 PolarHBondContact O-N 3.18Š|
| 95 | T | 46.9 | Very low | 48.7 | Very low | 105 Ų | 105 | 101.1 Ų | 101.1 | 64% | 0.644 | 71% | 0.711 | S | S | * | * | | | trans | -93.7 | 109.5 | 166.5 | 48.1 | 0 | 0 | 0 | 0 | 108.7 | V90 V97 | V90-T95 HydrophobicContact CG2-CG2 3.86Å; T95-V97 PolarHBondContact O-N 3.38Å |
| 96 | A | 51.7 | Low | 48.3 | Very low | 106 Ų | 106 | 103.1 Ų | 103.1 | 88% | 0.876 | 71% | 0.71 | S | S | * | * | | | trans | -74.2 | 2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 97 | V | 48.2 | Very low | 48.4 | Very low | 111 Ų | 111 | 106.8 Ų | 106.8 | 67% | 0.673 | 72% | 0.715 | S | S | * | * | | | trans | -110.3 | 99.7 | 177.8 | 141.4 | 0 | 0 | 0 | 0 | 109.2 | T95 S99 | T95-V97 PolarHBondContact O-N 3.38Å; V97-S99 PolarHBondContact O-N 3.23Å |
| 98 | G | 46.6 | Very low | 48.7 | Very low | 63 Ų | 63 | 104.5 Ų | 104.5 | 65% | 0.649 | 72% | 0.719 | S | S | * | * | | | trans | -75.9 | 104.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | A100 | G98-A100 VanDerWaalsContact C-N 3.29Å; G98-A100 PolarHBondContact O-N 3.1Å |
| 99 | S | 51.3 | Low | 48.8 | Very low | 103 Ų | 103 | 103 Ų | 103 | 72% | 0.72 | 72% | 0.719 | S | S | * | * | | | trans | -74.1 | 90.1 | 167.2 | -67.3 | 0 | 0 | 0 | 0 | 108.2 | V97 V101 | V97-S99 PolarHBondContact O-N 3.23Å; S99-V101 PolarHBondContact O-N 3.48Å |
| 100 | A | 46.8 | Very low | 48.7 | Very low | 86 Ų | 86 | 103.6 Ų | 103.6 | 71% | 0.711 | 72% | 0.717 | S | S | * | * | | | trans | -65.1 | 115.3 | 155.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | G98 V102 | G98-A100 VanDerWaalsContact C-N 3.29Å; G98-A100 PolarHBondContact O-N 3.1Å; A100-V102 PolarHBondContact O-N 2.94Å |
| 101 | V | 46 | Very low | 48.9 | Very low | 142 Ų | 142 | 110.8 Ų | 110.8 | 86% | 0.861 | 74% | 0.743 | S | S | * | * | | | trans | -71 | 75.9 | 163.6 | -175.8 | 0 | 0 | 0 | 0 | 106.7 | S99 N103 | S99-V101 PolarHBondContact O-N 3.48Å; V101-N103 PolarHBondContact O-N 2.9Å |
| 102 | V | 39.8 | Very low | 49.2 | Very low | 112 Ų | 112 | 114.9 Ų | 114.9 | 68% | 0.679 | 74% | 0.74 | S | S | * | * | | | trans | -82.7 | 105.2 | 162.1 | 88.2 | 0 | 0 | 0 | 0 | 104.8 | A100 K104 | A100-V102 PolarHBondContact O-N 2.94Å; V102-K104 HydrophobicContact CG1-CB 4.33Å; V102-K104 PolarHBondContact O-N 3.2Å |
| 103 | N | 45.6 | Very low | 48.7 | Very low | 122 Ų | 122 | 121.2 Ų | 121.2 | 65% | 0.652 | 75% | 0.749 | S | S | * | * | | | trans | -66.9 | 87.2 | 170.3 | -177.3 | 26.5 | 0 | 0 | 0 | 108.1 | V101 | V101-N103 PolarHBondContact O-N 2.9Š|
| 104 | K | 52.9 | Low | 48.4 | Very low | 180 Ų | 180 | 124.2 Ų | 124.2 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | | | trans | -119.7 | 45.9 | 166.7 | -108.2 | -74.8 | -173 | 178.7 | 0 | 109.3 | V102 P106 | V102-K104 HydrophobicContact CG1-CB 4.33Å; V102-K104 PolarHBondContact O-N 3.2Å; K104-P106 WeakPolarHBondContact O-CD 2.96Å |
| 105 | V | 44.7 | Very low | 48.7 | Very low | 94 Ų | 94 | 128.1 Ų | 128.1 | 57% | 0.57 | 76% | 0.758 | S | S | * | * | | | trans | -82 | 113.3 | 155.8 | -177.9 | 0 | 0 | 0 | 0 | 105.6 | L107 | V105-L107 HydrophobicContact CB-CG 4.44Å; V105-L107 PolarHBondContact O-N 3.16Å; V105-L107 HydrophobicContact CG1-CG 4.04Å; V105-L107 HydrophobicContact CG1-CD2 4.26Å |
| 106 | P | 45.4 | Very low | 48.9 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | trans | -67.8 | 87.7 | 158.3 | 20.7 | -11.2 | 0 | 0 | 0 | 105.3 | K104 G108 | K104-P106 WeakPolarHBondContact O-CD 2.96Å; P106-G108 PolarHBondContact O-N 3.27Å |
| 107 | L | 52.8 | Low | 48.3 | Very low | 136 Ų | 136 | 134.2 Ų | 134.2 | 71% | 0.712 | 78% | 0.779 | S | S | * | * | | | trans | -52.9 | 116.2 | 167.5 | -77 | 156.4 | 0 | 0 | 0 | 105.8 | V105 G109 | V105-L107 HydrophobicContact CB-CG 4.44Å; V105-L107 PolarHBondContact O-N 3.16Å; V105-L107 HydrophobicContact CG1-CG 4.04Å; V105-L107 HydrophobicContact CG1-CD2 4.26Å; L107-G109 PolarHBondContact O-N 3.45Å |
| 108 | G | 54.1 | Low | 48.3 | Very low | 86 Ų | 86 | 135.4 Ų | 135.4 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | | | trans | -47.7 | 129.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | P106 | P106-G108 PolarHBondContact O-N 3.27Š|
| 109 | G | 48.2 | Very low | 48.4 | Very low | 66 Ų | 66 | 139.2 Ų | 139.2 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | | | trans | -177.7 | 72.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L107 | L107-G109 PolarHBondContact O-N 3.45Š|
| 110 | S | 51.8 | Low | 48.2 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | trans | 54.3 | 109.1 | 152.1 | 62.6 | 0 | 0 | 0 | 0 | 120.4 | | |
| 111 | K | 51.5 | Low | 48.3 | Very low | 211 Ų | 211 | 144.4 Ų | 144.4 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | | | | -160.3 | 100 | 128.6 | -122 | 173.7 | -176.7 | 172.7 | 0 | 113 | | |
| 112 | K | 53.3 | Low | 48.4 | Very low | 200 Ų | 200 | 144.6 Ų | 144.6 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | | | trans | -5.4 | 125.6 | 152.1 | -171.6 | 173.2 | -176.2 | 174 | 0 | 117 | | |
| 113 | K | 44.7 | Very low | 49 | Very low | 199 Ų | 199 | 146.7 Ų | 146.7 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | | | | -152.3 | 95.3 | 124.3 | -160.1 | 167.4 | -176.4 | 177.7 | 0 | 109 | | |
| 114 | D | 49.7 | Very low | 49.3 | Very low | 122 Ų | 122 | 148.5 Ų | 148.5 | 65% | 0.652 | 82% | 0.815 | S | S | * | * | | | trans | -54.6 | 135 | 164.7 | -159.9 | -89.2 | 0 | 0 | 0 | 108.4 | S116 | D114-S116 VanDerWaalsContact OD1-CB 3.26Å; D114-S116 WeakPolarHBondContact OD1-CB 3.49Å; D114-S116 PolarHBondContact OD1-N 2.94Å; D114-S116 PolarHBondContact OD1-OG 3.21Å |
| 115 | K | 50.1 | Low | 49 | Very low | 209 Ų | 209 | 146.1 Ų | 146.1 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | | | trans | -124.8 | 80.5 | 174.1 | -160.1 | 177.5 | -171.7 | 178.7 | 0 | 106.1 | | |
| 116 | S | 51 | Low | 49.3 | Very low | 90 Ų | 90 | 150.4 Ų | 150.4 | 63% | 0.629 | 84% | 0.838 | S | S | * | * | | | trans | -133.3 | 115 | 173 | -40.3 | 0 | 0 | 0 | 0 | 107.1 | D114 | D114-S116 VanDerWaalsContact OD1-CB 3.26Å; D114-S116 WeakPolarHBondContact OD1-CB 3.49Å; D114-S116 PolarHBondContact OD1-N 2.94Å; D114-S116 PolarHBondContact OD1-OG 3.21Å |
| 117 | D | 39.6 | Very low | 49.7 | Very low | 248 Ų | 248 | 153.3 Ų | 153.3 | 100% | 1.326 | 84% | 0.844 | S | S | * | * | | | trans | 51.3 | 0 | 167.7 | -137.6 | -123.1 | 0 | 0 | 0 | 119 | | |