| 1 | M | 44.1 | Very low | 39.9 | Very low | 238 Ų | 238 | 137.5 Ų | 137.5 | 100% | 1.172 | 84% | 0.841 | S | S | * | * | | | | 0 | 123.1 | 0 | -52 | 170.8 | 79.8 | 0 | 0 | 106.7 | | |
| 2 | S | 42.5 | Very low | 39.5 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 81% | 0.811 | 84% | 0.836 | S | S | * | * | | | cis | -146.2 | 146.4 | -32.1 | -76.3 | 0 | 0 | 0 | 0 | 104.2 | | |
| 3 | S | 38.1 | Very low | 39.2 | Very low | 124 Ų | 124 | 141 Ų | 141 | 87% | 0.867 | 84% | 0.835 | S | S | * | * | | | trans | -38.5 | 152 | 165.6 | -3.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 4 | G | 37.3 | Very low | 39.1 | Very low | 65 Ų | 65 | 142.3 Ų | 142.3 | 67% | 0.67 | 84% | 0.835 | S | S | * | * | | | cis | 126.3 | 139.6 | 31.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 5 | L | 41.3 | Very low | 38.9 | Very low | 173 Ų | 173 | 145.7 Ų | 145.7 | 91% | 0.906 | 84% | 0.84 | S | S | * | * | | | trans | 69.7 | 129.6 | 151.1 | -60.9 | 170.1 | 0 | 0 | 0 | 121.7 | | |
| 6 | S | 41.8 | Very low | 39.1 | Very low | 119 Ų | 119 | 151.2 Ų | 151.2 | 83% | 0.832 | 84% | 0.842 | S | S | * | * | | | | 135.6 | 142.7 | 112.6 | -84 | 0 | 0 | 0 | 0 | 117.4 | | |
| 7 | E | 37.8 | Very low | 38.9 | Very low | 196 Ų | 196 | 149.2 Ų | 149.2 | 92% | 0.916 | 84% | 0.841 | S | S | * | * | | | trans | -88.5 | 151.2 | -174.5 | -57 | 173.1 | 93.4 | 0 | 0 | 113.5 | | |
| 8 | G | 33.3 | Very low | 39 | Very low | 74 Ų | 74 | 146.3 Ų | 146.3 | 76% | 0.763 | 83% | 0.832 | S | S | * | * | | | trans | 75.1 | 173.2 | 151 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 9 | P | 48 | Very low | 38.7 | Very low | 131 Ų | 131 | 144.6 Ų | 144.6 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | | | cis | -138.2 | -170.4 | -15.2 | 39.8 | -20.1 | 0 | 0 | 0 | 114.8 | | |
| 10 | Q | 39.1 | Very low | 38.7 | Very low | 154 Ų | 154 | 147.3 Ų | 147.3 | 72% | 0.72 | 83% | 0.83 | S | S | * | * | | | trans | -50.3 | 160.2 | 169.3 | -61 | 168.9 | 3.6 | 0 | 0 | 115.1 | | |
| 11 | T | 35.2 | Very low | 38.6 | Very low | 122 Ų | 122 | 149.1 Ų | 149.1 | 75% | 0.748 | 83% | 0.832 | S | S | * | * | | | | 167.8 | 119.5 | 116.9 | 41.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 12 | E | 35.7 | Very low | 38.2 | Very low | 167 Ų | 167 | 144.9 Ų | 144.9 | 78% | 0.78 | 81% | 0.814 | S | S | * | * | | | | 84.4 | 135.4 | 83.1 | -42.6 | -134.4 | 134.3 | 0 | 0 | 114.2 | | |
| 13 | D | 34.9 | Very low | 38.3 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | | | trans | -60.3 | 173.1 | -170.5 | -72.1 | -94.6 | 0 | 0 | 0 | 118.5 | | |
| 14 | L | 38.8 | Very low | 38.5 | Very low | 159 Ų | 159 | 143.5 Ų | 143.5 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | | | trans | 99.6 | 105.4 | 161.1 | -88.6 | 81.9 | 0 | 0 | 0 | 116.1 | | |
| 15 | E | 35.3 | Very low | 38.9 | Very low | 193 Ų | 193 | 146.6 Ų | 146.6 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | | | | -169 | 150.7 | 100.5 | -98.3 | -145.7 | 107.1 | 0 | 0 | 113.2 | | |
| 16 | R | 41.9 | Very low | 39.2 | Very low | 234 Ų | 234 | 145.9 Ų | 145.9 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | trans | -81.9 | 122 | -169.1 | 178.3 | 169.5 | -174.2 | -156.5 | -0.9 | 110.3 | | |
| 17 | S | 36.5 | Very low | 39.6 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -136.5 | 111.3 | 156.8 | -169.1 | 0 | 0 | 0 | 0 | 111.2 | C19 | S17-C19 PolarHBondContact O-N 2.8Š|
| 18 | S | 39.9 | Very low | 40.2 | Very low | 98 Ų | 98 | 148.5 Ų | 148.5 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | | | trans | -67.2 | 115.1 | 175.9 | 159.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 19 | C | 33.7 | Very low | 41.1 | Very low | 113 Ų | 113 | 153.6 Ų | 153.6 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | | | trans | -142.7 | 107.4 | 152.9 | -83.8 | 0 | 0 | 0 | 0 | 108.6 | S17 Q21 | S17-C19 PolarHBondContact O-N 2.8Å; C19-Q21 PolarHBondContact O-N 3.19Å; C19-Q21 VanDerWaalsContact O-N 3.15Å |
| 20 | K | 39.2 | Very low | 41.7 | Very low | 198 Ų | 198 | 153.6 Ų | 153.6 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | | | trans | -56.3 | 114.4 | 170.2 | -65.6 | -179.4 | 171.7 | -173.7 | 0 | 108.4 | | |
| 21 | Q | 36.1 | Very low | 42.7 | Very low | 186 Ų | 186 | 158.3 Ų | 158.3 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | | | trans | -92.8 | 99 | 161.5 | -68.8 | -141.8 | 6.8 | 0 | 0 | 107.9 | C19 S23 | C19-Q21 PolarHBondContact O-N 3.19Å; C19-Q21 VanDerWaalsContact O-N 3.15Å; Q21-S23 PolarHBondContact O-N 2.9Å |
| 22 | D | 35.6 | Very low | 43.9 | Very low | 150 Ų | 150 | 156.7 Ų | 156.7 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | | | trans | -59.5 | 121 | 169.9 | -144.5 | -85.6 | 0 | 0 | 0 | 108.3 | | |
| 23 | S | 44.9 | Very low | 45 | Very low | 95 Ų | 95 | 152 Ų | 152 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | | | trans | -64.8 | 125.4 | 174.5 | -75.9 | 0 | 0 | 0 | 0 | 109.3 | Q21 V25 | Q21-S23 PolarHBondContact O-N 2.9Å; S23-V25 PolarHBondContact O-N 3.13Å |
| 24 | P | 42.1 | Very low | 45.9 | Very low | 116 Ų | 116 | 151.4 Ų | 151.4 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | trans | -70.7 | 106.7 | 170.7 | 27.2 | -30.2 | 0 | 0 | 0 | 108.4 | I26 | P24-I26 PolarHBondContact O-N 2.85Š|
| 25 | V | 45.7 | Very low | 46.8 | Very low | 130 Ų | 130 | 150.3 Ų | 150.3 | 79% | 0.788 | 77% | 0.771 | S | S | * | * | | | trans | -49.8 | 111.8 | 163.4 | 172.9 | 0 | 0 | 0 | 0 | 107.4 | S23 E27 | S23-V25 PolarHBondContact O-N 3.13Å; V25-E27 PolarHBondContact O-N 3.45Å |
| 26 | I | 47.2 | Very low | 47.7 | Very low | 157 Ų | 157 | 146.5 Ų | 146.5 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | | | trans | -69.4 | 88.5 | 175.3 | -60.4 | 170.9 | 0 | 0 | 0 | 107.1 | P24 R28 | P24-I26 PolarHBondContact O-N 2.85Å; I26-R28 PolarHBondContact O-N 3.32Å; I26-R28 VanDerWaalsContact O-N 3.12Å |
| 27 | E | 49.9 | Very low | 48.5 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 59% | 0.593 | 76% | 0.76 | S | S | * | * | | | trans | -67.6 | 106.6 | 173.1 | -167.3 | -177 | -166.7 | 0 | 0 | 108.3 | V25 R29 | V25-E27 PolarHBondContact O-N 3.45Å; E27-R29 VanDerWaalsContact C-N 3.29Å; E27-R29 PolarHBondContact O-N 3.15Å; E27-R29 IonicContact OE2-CZ 3.62Å; E27-R29 IonicContact OE2-NH1 2.87Å; E27-R29 PolarHBondContact OE2-NH1 2.83Å; E27-R29 IonicContact OE2-NH2 3.74Å |
| 28 | R | 51.3 | Low | 49.2 | Very low | 244 Ų | 244 | 143 Ų | 143 | 92% | 0.921 | 76% | 0.756 | S | S | * | * | | | trans | -63.8 | 86.9 | 174.1 | -86.4 | -172.5 | 155.1 | 129.7 | -2.5 | 110.2 | I26 N30 | I26-R28 PolarHBondContact O-N 3.32Å; I26-R28 VanDerWaalsContact O-N 3.12Å; R28-N30 PolarHBondContact O-N 3.11Å |
| 29 | R | 53.3 | Low | 49.9 | Very low | 181 Ų | 181 | 146 Ų | 146 | 68% | 0.683 | 76% | 0.763 | S | S | * | * | | | trans | -66.5 | 123.3 | 168.9 | -84.3 | 175.8 | 169.8 | 68.2 | 3.4 | 110.3 | E27 | E27-R29 VanDerWaalsContact C-N 3.29Å; E27-R29 PolarHBondContact O-N 3.15Å; E27-R29 IonicContact OE2-CZ 3.62Å; E27-R29 IonicContact OE2-NH1 2.87Å; E27-R29 PolarHBondContact OE2-NH1 2.83Å; E27-R29 IonicContact OE2-NH2 3.74Å |
| 30 | N | 58.7 | Low | 50.9 | Low | 131 Ų | 131 | 145 Ų | 145 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | | | trans | -68.9 | 151.2 | 164.9 | -164 | -56.3 | 0 | 0 | 0 | 109.4 | R28 S32 G33 | R28-N30 PolarHBondContact O-N 3.11Å; N30-S32 PolarHBondContact O-N 2.7Å; N30-G33 PolarHBondContact O-N 3.22Å |
| 31 | R | 60.9 | Low | 51.8 | Low | 252 Ų | 252 | 144.9 Ų | 144.9 | 95% | 0.951 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 16.1 | -165.4 | -143.1 | 171.8 | -168.8 | -120.1 | 2.7 | 115.5 | | |
| 32 | S | 60.9 | Low | 52.5 | Low | 89 Ų | 89 | 141.1 Ų | 141.1 | 62% | 0.622 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | -3.6 | -178.3 | -53.7 | 0 | 0 | 0 | 0 | 113.7 | N30 I34 | N30-S32 PolarHBondContact O-N 2.7Å; S32-I34 WeakPolarHBondContact O-CG1 3.32Å; S32-I34 PolarHBondContact O-N 3.18Å |
| 33 | G | 57.8 | Low | 53.4 | Low | 67 Ų | 67 | 140.5 Ų | 140.5 | 69% | 0.691 | 75% | 0.748 | S | S | * | * | | | trans | 65.8 | 9.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | N30 | N30-G33 PolarHBondContact O-N 3.22Š|
| 34 | I | 55.7 | Low | 53.8 | Low | 142 Ų | 142 | 144.3 Ų | 144.3 | 73% | 0.728 | 75% | 0.752 | S | S | * | * | | | trans | -92 | 123.8 | 177.5 | -34.8 | -179.5 | 0 | 0 | 0 | 108.2 | S32 S36 | S32-I34 WeakPolarHBondContact O-CG1 3.32Å; S32-I34 PolarHBondContact O-N 3.18Å; I34-S36 PolarHBondContact O-N 3.17Å |
| 35 | I | 57.4 | Low | 54.4 | Low | 136 Ų | 136 | 146.9 Ų | 146.9 | 70% | 0.697 | 76% | 0.76 | S | S | * | * | | | trans | -57.1 | 120.1 | 172.4 | -58.5 | 170.3 | 0 | 0 | 0 | 106.9 | E37 | I35-E37 HydrophobicContact CG2-CG 4.46Å; I35-E37 PolarHBondContact O-N 3.5Å |
| 36 | S | 53.2 | Low | 54.5 | Low | 114 Ų | 114 | 145.3 Ų | 145.3 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | | | trans | -77.8 | 76.1 | 170 | -54.5 | 0 | 0 | 0 | 0 | 107.6 | I34 | I34-S36 PolarHBondContact O-N 3.17Š|
| 37 | E | 58.3 | Low | 54.9 | Low | 166 Ų | 166 | 149 Ų | 149 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | | | trans | -62.5 | 129.7 | 163.9 | -106.4 | -175.6 | 135 | 0 | 0 | 107.6 | I35 L39 | I35-E37 HydrophobicContact CG2-CG 4.46Å; I35-E37 PolarHBondContact O-N 3.5Å; E37-L39 PolarHBondContact O-N 3.23Å; E37-L39 VanDerWaalsContact O-N 3.11Å |
| 38 | P | 51.7 | Low | 55.2 | Low | 111 Ų | 111 | 150 Ų | 150 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | | | trans | -61.8 | 121.3 | 172.5 | 25.4 | -30.5 | 0 | 0 | 0 | 107.2 | S40 | P38-S40 PolarHBondContact O-N 2.95Š|
| 39 | L | 55.7 | Low | 54.7 | Low | 160 Ų | 160 | 146 Ų | 146 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | | | trans | -55.2 | 81.8 | 178.8 | -171.9 | 84 | 0 | 0 | 0 | 110.3 | E37 K41 | E37-L39 PolarHBondContact O-N 3.23Å; E37-L39 VanDerWaalsContact O-N 3.11Å; L39-K41 PolarHBondContact O-N 3.46Å; L39-K41 VanDerWaalsContact O-N 3.17Å |
| 40 | S | 54.6 | Low | 54 | Low | 94 Ų | 94 | 143 Ų | 143 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | | | trans | -84 | 96.9 | 177.2 | 65.6 | 0 | 0 | 0 | 0 | 108 | P38 S42 | P38-S40 PolarHBondContact O-N 2.95Å; S40-S42 VanDerWaalsContact C-N 3.28Å; S40-S42 PolarHBondContact O-N 3.07Å |
| 41 | K | 57.2 | Low | 53.6 | Low | 194 Ų | 194 | 145.6 Ų | 145.6 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 52.8 | 25.1 | 145.8 | -50.3 | 177.6 | -174.7 | 175.8 | 0 | 118.3 | L39 | L39-K41 PolarHBondContact O-N 3.46Å; L39-K41 VanDerWaalsContact O-N 3.17Å |
| 42 | S | 51 | Low | 52.4 | Low | 108 Ų | 108 | 144.2 Ų | 144.2 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | -106.2 | 44.2 | 176.6 | -157.7 | 0 | 0 | 0 | 0 | 113.3 | S40 | S40-S42 VanDerWaalsContact C-N 3.28Å; S40-S42 PolarHBondContact O-N 3.07Å |
| 43 | L | 55 | Low | 51.4 | Low | 136 Ų | 136 | 146.6 Ų | 146.6 | 71% | 0.712 | 79% | 0.791 | S | S | * | * | | | trans | -139.5 | 42 | 170.4 | -83.5 | 177.9 | 0 | 0 | 0 | 111.2 | | |
| 44 | K | 52 | Low | 50.5 | Low | 175 Ų | 175 | 148.3 Ų | 148.3 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -128.9 | 116.5 | 164.1 | -68.2 | 163.8 | -175 | -177.3 | 0 | 104.1 | | |
| 45 | N | 55.6 | Low | 49.7 | Very low | 170 Ų | 170 | 148.5 Ų | 148.5 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | | | trans | 102.1 | 57.5 | -177.1 | -45.8 | -11.5 | 0 | 0 | 0 | 114.6 | | |
| 46 | S | 48.5 | Very low | 48.7 | Very low | 97 Ų | 97 | 147.4 Ų | 147.4 | 68% | 0.678 | 81% | 0.811 | S | S | * | * | | | trans | -127.3 | 99.6 | 150.6 | 51.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 47 | R | 55.2 | Low | 47.9 | Very low | 236 Ų | 236 | 148 Ų | 148 | 89% | 0.891 | 82% | 0.815 | S | S | * | * | | | trans | 71.5 | 91 | 148.5 | -64.5 | -179.2 | 174.2 | -167.7 | -3 | 118.8 | L49 | R47-L49 PolarHBondContact O-N 3.23Š|
| 48 | T | 55.2 | Low | 46.9 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 90% | 0.896 | 81% | 0.813 | S | S | * | * | | | trans | -68.1 | 100 | 136.1 | 46.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 49 | L | 41.7 | Very low | 46.2 | Very low | 160 Ų | 160 | 146 Ų | 146 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | | | trans | -157.8 | 90.3 | 161.9 | -157.7 | 119.7 | 0 | 0 | 0 | 111.4 | R47 | R47-L49 PolarHBondContact O-N 3.23Š|
| 50 | S | 38.3 | Very low | 45.5 | Very low | 119 Ų | 119 | 143.6 Ų | 143.6 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | | | trans | -164.3 | 83.4 | 143.2 | -158.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 51 | Q | 49.1 | Very low | 44.6 | Very low | 186 Ų | 186 | 146.4 Ų | 146.4 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | | | trans | -123.8 | 96.1 | 159.6 | -75.1 | -174.1 | 8.4 | 0 | 0 | 106.3 | | |
| 52 | Y | 37.5 | Very low | 43.4 | Very low | 222 Ų | 222 | 140.6 Ų | 140.6 | 87% | 0.871 | 82% | 0.816 | S | S | * | * | | | trans | -143.4 | 134.6 | 153.6 | -96 | -80.5 | 0 | 0 | 0 | 108.1 | | |
| 53 | T | 38.8 | Very low | 42.5 | Very low | 139 Ų | 139 | 144.1 Ų | 144.1 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | | | trans | 87.7 | 89.8 | 174.5 | 71.7 | 0 | 0 | 0 | 0 | 117 | | |
| 54 | A | 38.9 | Very low | 41.6 | Very low | 103 Ų | 103 | 142.2 Ų | 142.2 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | | | | -162.8 | 134.1 | 113.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 55 | V | 39.4 | Very low | 40.7 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 89% | 0.885 | 81% | 0.813 | S | S | * | * | | | trans | -64.3 | 153.9 | -178.9 | -86.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 56 | S | 37 | Very low | 39.6 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | | | trans | -49.4 | 146.1 | -178.3 | -43.6 | 0 | 0 | 0 | 0 | 116.3 | | |
| 57 | S | 36.2 | Very low | 38.8 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 88% | 0.881 | 81% | 0.814 | S | S | * | * | | | trans | -155.2 | 114.7 | 137.8 | -68.7 | 0 | 0 | 0 | 0 | 109 | | |
| 58 | A | 37.3 | Very low | 37.8 | Very low | 90 Ų | 90 | 134 Ų | 134 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | | | trans | -70.7 | 147.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 59 | T | 36 | Very low | 36.7 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 90% | 0.896 | 80% | 0.803 | S | S | * | * | | | trans | -150.7 | 138.4 | 138.6 | -16.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 60 | T | 41 | Very low | 36.2 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 66% | 0.663 | 80% | 0.8 | S | S | * | * | | | trans | -96.5 | 172.7 | -160.8 | 50.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 61 | N | 35.3 | Very low | 35.8 | Very low | 154 Ų | 154 | 132.8 Ų | 132.8 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | | | trans | 97 | 103 | 155 | -58.3 | -17.4 | 0 | 0 | 0 | 116.6 | | |
| 62 | G | 32.3 | Very low | 35.2 | Very low | 71 Ų | 71 | 132.9 Ų | 132.9 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | | | trans | -82.7 | 168.1 | 149.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 63 | H | 32.6 | Very low | 35.1 | Very low | 183 Ų | 183 | 128.1 Ų | 128.1 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | | | trans | -167.8 | 160.3 | 133.3 | -136.2 | -87.1 | 0 | 0 | 0 | 110.3 | | |
| 64 | T | 36.1 | Very low | 34.9 | Very low | 96 Ų | 96 | 126.6 Ų | 126.6 | 59% | 0.589 | 79% | 0.789 | S | S | * | * | | | trans | -79.7 | 179 | -166.3 | 47.3 | 0 | 0 | 0 | 0 | 116.6 | | |
| 65 | D | 33.7 | Very low | 34.5 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | 98.5 | 105.7 | 152 | -53.6 | -49.5 | 0 | 0 | 0 | 116.7 | | |
| 66 | N | 32.8 | Very low | 34.6 | Very low | 151 Ų | 151 | 128.8 Ų | 128.8 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | | | | 78.1 | 109.1 | 71.7 | -166.3 | 20.3 | 0 | 0 | 0 | 113.3 | | |
| 67 | S | 31.2 | Very low | 34.4 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -176.4 | 149.9 | 130.8 | 48.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 68 | S | 32.9 | Very low | 34.7 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | | | trans | -66.7 | 157.9 | -169.3 | 49.1 | 0 | 0 | 0 | 0 | 118.2 | | |
| 69 | T | 32.4 | Very low | 35 | Very low | 137 Ų | 137 | 132.8 Ų | 132.8 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | | | | 162.2 | 147.5 | 125.3 | 37.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 70 | K | 31.8 | Very low | 34.7 | Very low | 180 Ų | 180 | 130.5 Ų | 130.5 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | | | cis | -161.6 | 134.3 | -14.7 | 176.8 | 170.2 | 175.8 | 179 | 0 | 104.8 | | |
| 71 | S | 29.7 | Very low | 34.5 | Very low | 83 Ų | 83 | 130 Ų | 130 | 58% | 0.58 | 78% | 0.777 | S | S | * | * | | | trans | -22.3 | 144.8 | 164.7 | 50.7 | 0 | 0 | 0 | 0 | 119.1 | | |
| 72 | H | 36.9 | Very low | 34.8 | Very low | 189 Ų | 189 | 128 Ų | 128 | 88% | 0.875 | 77% | 0.773 | S | S | * | * | | | | -157.5 | 135.2 | 117.2 | -87.7 | -63.6 | 0 | 0 | 0 | 111.7 | | |
| 73 | S | 35.3 | Very low | 34.8 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | trans | -83.5 | 148.9 | -176.5 | -64 | 0 | 0 | 0 | 0 | 114 | | |
| 74 | A | 33.1 | Very low | 35.2 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | | | | -177.6 | 149 | 128.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 75 | K | 32.5 | Very low | 35.2 | Very low | 197 Ų | 197 | 131.5 Ų | 131.5 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | | | trans | -130.2 | 179.3 | -174.9 | -176.3 | 167.6 | 177.6 | 175.4 | 0 | 107.3 | | |
| 76 | P | 41.3 | Very low | 35.8 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | | | | -118.2 | 166.2 | -59.1 | 36.7 | -22.1 | 0 | 0 | 0 | 113.6 | | |
| 77 | Q | 31.8 | Very low | 36.4 | Very low | 186 Ų | 186 | 129.8 Ų | 129.8 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | | | | 158.6 | 153.9 | 128.3 | -97.8 | -171.6 | -77.3 | 0 | 0 | 114.8 | | |
| 78 | P | 43.2 | Very low | 36.8 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 69% | 0.688 | 80% | 0.798 | S | S | * | * | | | trans | -92.1 | -172.2 | 179.4 | 42.8 | -35.5 | 0 | 0 | 0 | 111.1 | | |
| 79 | P | 43.3 | Very low | 37.5 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | | | cis | -139.2 | -169.1 | 10 | 40.4 | -18.8 | 0 | 0 | 0 | 115.8 | | |
| 80 | A | 29.4 | Very low | 38.4 | Very low | 98 Ų | 98 | 134.9 Ų | 134.9 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | | | trans | 116.8 | 114.6 | 153.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 81 | A | 37.7 | Very low | 39 | Very low | 96 Ų | 96 | 131.4 Ų | 131.4 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | | | trans | -63.4 | 167.7 | 155.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 82 | P | 41.3 | Very low | 39.7 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 74% | 0.74 | 83% | 0.825 | S | S | * | * | | | cis | -136.9 | 167.2 | 23 | 38.3 | -19 | 0 | 0 | 0 | 114.9 | | |
| 83 | Q | 32 | Very low | 40 | Very low | 186 Ų | 186 | 131.9 Ų | 131.9 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | | | | 174.4 | 140.7 | 126.2 | -93.1 | 173.2 | 12.3 | 0 | 0 | 111.8 | | |
| 84 | A | 41.6 | Very low | 40.7 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | | | trans | -71 | 129.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 85 | T | 35.1 | Very low | 41.3 | Very low | 139 Ų | 139 | 135.1 Ų | 135.1 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | | | trans | -130.8 | 121.1 | 160.3 | 48.3 | 0 | 0 | 0 | 0 | 109.5 | S87 | T85-S87 PolarHBondContact O-N 2.83Š|
| 86 | V | 46.9 | Very low | 42.1 | Very low | 142 Ų | 142 | 135.2 Ų | 135.2 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | | | trans | -71.7 | 118.1 | 175.6 | 179 | 0 | 0 | 0 | 0 | 107.8 | | |
| 87 | S | 45.3 | Very low | 42.5 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | trans | 173.7 | 103.5 | 150.7 | -81.9 | 0 | 0 | 0 | 0 | 110.2 | T85 | T85-S87 PolarHBondContact O-N 2.83Š|
| 88 | T | 40.1 | Very low | 43.5 | Very low | 145 Ų | 145 | 131 Ų | 131 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | | | trans | -177.4 | 76.4 | 156 | 18.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 89 | L | 47.8 | Very low | 43.8 | Very low | 170 Ų | 170 | 132.6 Ų | 132.6 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | | | trans | -141.4 | 53.2 | 170.5 | -85 | 179.5 | 0 | 0 | 0 | 112.1 | | |
| 90 | T | 49.3 | Very low | 44.1 | Very low | 146 Ų | 146 | 133.2 Ų | 133.2 | 90% | 0.896 | 78% | 0.779 | S | S | * | * | | | trans | -151.8 | 61.5 | 167.1 | 54.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 91 | A | 45 | Very low | 45.2 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -145.8 | 16.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 92 | A | 44.3 | Very low | 45.8 | Very low | 99 Ų | 99 | 132 Ų | 132 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -126.4 | 9.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 93 | K | 44.2 | Very low | 46.3 | Very low | 183 Ų | 183 | 133.7 Ų | 133.7 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -112.3 | -3.1 | -173.2 | -141.3 | 172.9 | -175.6 | 177.2 | 0 | 115.1 | T97 | K93-T97 PolarHBondContact O-OG1 3.15Š|
| 94 | L | 48.9 | Very low | 47.3 | Very low | 155 Ų | 155 | 126.8 Ų | 126.8 | 81% | 0.812 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -99.2 | -18.5 | -179.2 | -67.5 | -179.8 | 0 | 0 | 0 | 114.2 | | |
| 95 | D | 45.8 | Very low | 47.9 | Very low | 141 Ų | 141 | 128.1 Ų | 128.1 | 75% | 0.754 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -74.7 | -37 | -178.5 | -163.5 | -107.5 | 0 | 0 | 0 | 112.6 | T97 | D95-T97 PolarHBondContact O-N 3.09Å |
| 96 | R | 49.4 | Very low | 48.9 | Very low | 200 Ų | 200 | 125.9 Ų | 125.9 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -80.2 | 4.6 | -179 | -137.3 | -178.9 | 85.6 | -176.9 | 7.5 | 115.3 | | |
| 97 | T | 51.1 | Low | 49.4 | Very low | 78 Ų | 78 | 121.3 Ų | 121.3 | 48% | 0.479 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -105.6 | -23.6 | -179.4 | -36.8 | 0 | 0 | 0 | 0 | 111.1 | K93 D95 V101 | K93-T97 PolarHBondContact O-OG1 3.15Å; D95-T97 PolarHBondContact O-N 3.09Å; T97-V101 VanDerWaalsContact O-CG2 3.28Å; T97-V101 WeakPolarHBondContact O-CG2 3.45Å; T97-V101 PolarHBondContact O-N 3.12Å |
| 98 | L | 52.2 | Low | 50.2 | Low | 117 Ų | 117 | 122.6 Ų | 122.6 | 61% | 0.613 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -79.9 | -43.5 | -178.1 | -165 | 150.3 | 0 | 0 | 0 | 111.9 | Q100 V101 L102 | L98-Q100 PolarHBondContact O-N 3.42Å; L98-V101 PolarHBondContact O-N 3.04Å; L98-L102 PolarHBondContact O-N 2.77Å; L98-L102 VanDerWaalsContact O-N 3.1Å |
| 99 | E | 48.9 | Very low | 51.2 | Low | 139 Ų | 139 | 121.4 Ų | 121.4 | 65% | 0.65 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -61 | -34 | 172.1 | -75.8 | -81.5 | 104.8 | 0 | 0 | 112.2 | L102 E103 | E99-L102 PolarHBondContact O-N 3.21Å; E99-E103 PolarHBondContact O-N 3.1Å; E99-E103 VanDerWaalsContact O-N 3.16Å |
| 100 | Q | 49.7 | Very low | 51.9 | Low | 135 Ų | 135 | 119.6 Ų | 119.6 | 63% | 0.631 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -79.6 | -21.9 | -178.1 | -151.8 | 165.9 | -16.6 | 0 | 0 | 112.8 | L98 G104 | L98-Q100 PolarHBondContact O-N 3.42Å; Q100-G104 PolarHBondContact O-N 3.43Å |
| 101 | V | 52.9 | Low | 52.9 | Low | 76 Ų | 76 | 120.4 Ų | 120.4 | 46% | 0.461 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -81.2 | -33 | 170.8 | 166.4 | 0 | 0 | 0 | 0 | 111.3 | T97 L98 G104 Q105 | T97-V101 VanDerWaalsContact O-CG2 3.28Å; T97-V101 WeakPolarHBondContact O-CG2 3.45Å; T97-V101 PolarHBondContact O-N 3.12Å; L98-V101 PolarHBondContact O-N 3.04Å; V101-G104 PolarHBondContact O-N 3.34Å; V101-Q105 WeakPolarHBondContact O-CG 3.49Å; V101-Q105 PolarHBondContact O-N 3.33Å |
| 102 | L | 50.2 | Low | 53.9 | Low | 94 Ų | 94 | 118.1 Ų | 118.1 | 49% | 0.492 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -70.8 | -41.8 | 177.4 | -125.9 | 74.4 | 0 | 0 | 0 | 112.3 | L98 E99 G104 N106 | L98-L102 PolarHBondContact O-N 2.77Å; L98-L102 VanDerWaalsContact O-N 3.1Å; E99-L102 PolarHBondContact O-N 3.21Å; L102-G104 VanDerWaalsContact C-N 3.34Å; L102-N106 PolarHBondContact O-N 3.29Å; L102-N106 PolarHBondContact O-ND2 3.34Å; L102-N106 VanDerWaalsContact O-ND2 3.08Å |
| 103 | E | 51.5 | Low | 55.2 | Low | 149 Ų | 149 | 118.9 Ų | 118.9 | 70% | 0.696 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.8 | -35 | 173.7 | -162.7 | 70.5 | -140.6 | 0 | 0 | 111.7 | E99 G107 | E99-E103 PolarHBondContact O-N 3.1Å; E99-E103 VanDerWaalsContact O-N 3.16Å; E103-G107 PolarHBondContact O-N 3.48Å |
| 104 | G | 53.6 | Low | 56.3 | Low | 41 Ų | 41 | 112.7 Ų | 112.7 | 42% | 0.423 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.4 | -32.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q100 V101 L102 L108 | Q100-G104 PolarHBondContact O-N 3.43Å; V101-G104 PolarHBondContact O-N 3.34Å; L102-G104 VanDerWaalsContact C-N 3.34Å; G104-L108 PolarHBondContact O-N 3.37Å |
| 105 | Q | 53.6 | Low | 57.2 | Low | 125 Ų | 125 | 107.6 Ų | 107.6 | 58% | 0.584 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -73.5 | -37.7 | 175.7 | -80.7 | -173.2 | 51.3 | 0 | 0 | 112.5 | V101 L108 L109 | V101-Q105 WeakPolarHBondContact O-CG 3.49Å; V101-Q105 PolarHBondContact O-N 3.33Å; Q105-L108 PolarHBondContact O-N 3.49Å; Q105-L109 PolarHBondContact O-N 2.86Å |
| 106 | N | 56.7 | Low | 58.2 | Low | 93 Ų | 93 | 103.7 Ų | 103.7 | 50% | 0.497 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.4 | -39.3 | 176.5 | -72.6 | -43.1 | 0 | 0 | 0 | 112 | L102 L108 L109 H110 | L102-N106 PolarHBondContact O-N 3.29Å; L102-N106 PolarHBondContact O-ND2 3.34Å; L102-N106 VanDerWaalsContact O-ND2 3.08Å; N106-L108 PolarHBondContact O-N 2.92Å; N106-L109 PolarHBondContact O-N 2.93Å; N106-H110 PolarHBondContact O-CD2 3.05Å; N106-H110 VanDerWaalsContact O-CD2 3.28Å; N106-H110 PolarHBondContact O-N 2.74Å; N106-H110 VanDerWaalsContact O-N 3.12Å |
| 107 | G | 58.1 | Low | 59 | Low | 45 Ų | 45 | 99.3 Ų | 99.3 | 46% | 0.464 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65 | -37.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | E103 F111 | E103-G107 PolarHBondContact O-N 3.48Å; G107-F111 PolarHBondContact O-N 3.45Å; G107-F111 VanDerWaalsContact O-N 3.11Å |
| 108 | L | 61.3 | Low | 59.8 | Low | 136 Ų | 136 | 102.1 Ų | 102.1 | 71% | 0.712 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -70.2 | -38.3 | 179.5 | -136.3 | 95.2 | 0 | 0 | 0 | 112 | G104 Q105 N106 F111 A112 | G104-L108 PolarHBondContact O-N 3.37Å; Q105-L108 PolarHBondContact O-N 3.49Å; N106-L108 PolarHBondContact O-N 2.92Å; L108-F111 PolarHBondContact O-N 3.43Å; L108-A112 PolarHBondContact O-N 3.36Å |
| 109 | L | 60 | Low | 60.4 | Low | 119 Ų | 119 | 104.6 Ų | 104.6 | 62% | 0.623 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.7 | -38.6 | 178.6 | -141.8 | 149.4 | 0 | 0 | 0 | 111 | Q105 N106 A112 Q113 | Q105-L109 PolarHBondContact O-N 2.86Å; N106-L109 PolarHBondContact O-N 2.93Å; L109-A112 PolarHBondContact O-N 3.21Å; L109-Q113 WeakPolarHBondContact O-CB 3.41Å; L109-Q113 PolarHBondContact O-N 3.26Å |
| 110 | H | 63.7 | Low | 61 | Low | 133 Ų | 133 | 106.4 Ų | 106.4 | 62% | 0.616 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.9 | -39.1 | 171.3 | -91.6 | -73.1 | 0 | 0 | 0 | 113.1 | N106 A114 | N106-H110 PolarHBondContact O-CD2 3.05Å; N106-H110 VanDerWaalsContact O-CD2 3.28Å; N106-H110 PolarHBondContact O-N 2.74Å; N106-H110 VanDerWaalsContact O-N 3.12Å; H110-A114 WeakPolarHBondContact O-CB 3.13Å; H110-A114 PolarHBondContact O-N 3.44Å |
| 111 | F | 69.4 | Low | 61.4 | Low | 162 Ų | 162 | 103.1 Ų | 103.1 | 71% | 0.711 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69.7 | -40.7 | 177.5 | -162.1 | -90.6 | 0 | 0 | 0 | 111.9 | G107 L108 A114 A115 | G107-F111 PolarHBondContact O-N 3.45Å; G107-F111 VanDerWaalsContact O-N 3.11Å; L108-F111 PolarHBondContact O-N 3.43Å; F111-A114 PolarHBondContact O-N 2.71Å; F111-A115 WeakPolarHBondContact O-CB 3.24Å; F111-A115 PolarHBondContact O-N 2.9Å |
| 112 | A | 66.8 | Low | 61.4 | Low | 61 Ų | 61 | 102 Ų | 102 | 50% | 0.504 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.2 | -41.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L108 L109 A115 A116 | L108-A112 PolarHBondContact O-N 3.36Å; L109-A112 PolarHBondContact O-N 3.21Å; A112-A115 PolarHBondContact O-N 3.22Å; A112-A116 WeakPolarHBondContact O-CB 3.42Å; A112-A116 PolarHBondContact O-N 3.22Å |
| 113 | Q | 71.1 | Confident | 61.5 | Low | 114 Ų | 114 | 102.9 Ų | 102.9 | 53% | 0.533 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.1 | -40.9 | 175.9 | -170.2 | 175.7 | -1.5 | 0 | 0 | 111.8 | L109 A116 L117 | L109-Q113 WeakPolarHBondContact O-CB 3.41Å; L109-Q113 PolarHBondContact O-N 3.26Å; Q113-A116 PolarHBondContact O-N 2.86Å; Q113-L117 WeakPolarHBondContact O-CG 3.45Å; Q113-L117 PolarHBondContact O-N 3.4Å; Q113-L117 VanDerWaalsContact O-N 3.16Å |
| 114 | A | 66.9 | Low | 61.4 | Low | 54 Ų | 54 | 103.5 Ų | 103.5 | 45% | 0.446 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.8 | -41.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | H110 F111 A116 L117 L118 | H110-A114 WeakPolarHBondContact O-CB 3.13Å; H110-A114 PolarHBondContact O-N 3.44Å; F111-A114 PolarHBondContact O-N 2.71Å; A114-A116 VanDerWaalsContact C-N 3.34Å; A114-A116 PolarHBondContact O-N 2.97Å; A114-L117 PolarHBondContact O-N 3.31Å; A114-L118 PolarHBondContact O-N 3.47Å |
| 115 | A | 69.1 | Low | 61.2 | Low | 47 Ų | 47 | 110 Ų | 110 | 39% | 0.388 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.7 | -35.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F111 A112 L118 K119 | F111-A115 WeakPolarHBondContact O-CB 3.24Å; F111-A115 PolarHBondContact O-N 2.9Å; A112-A115 PolarHBondContact O-N 3.22Å; A115-L118 PolarHBondContact O-N 2.85Å; A115-K119 PolarHBondContact O-N 3.47Å |
| 116 | A | 65.3 | Low | 61 | Low | 60 Ų | 60 | 111.8 Ų | 111.8 | 50% | 0.496 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.2 | -39.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A112 Q113 A114 K119 R120 | A112-A116 WeakPolarHBondContact O-CB 3.42Å; A112-A116 PolarHBondContact O-N 3.22Å; Q113-A116 PolarHBondContact O-N 2.86Å; A114-A116 VanDerWaalsContact C-N 3.34Å; A114-A116 PolarHBondContact O-N 2.97Å; A116-K119 PolarHBondContact O-N 2.89Å; A116-R120 PolarHBondContact O-N 3.39Å; A116-R120 VanDerWaalsContact O-N 3.08Å |
| 117 | L | 66.8 | Low | 60.6 | Low | 107 Ų | 107 | 114.6 Ų | 114.6 | 56% | 0.56 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.3 | -39.5 | 173.7 | -69.4 | 173 | 0 | 0 | 0 | 111.8 | Q113 A114 R120 A121 | Q113-L117 WeakPolarHBondContact O-CG 3.45Å; Q113-L117 PolarHBondContact O-N 3.4Å; Q113-L117 VanDerWaalsContact O-N 3.16Å; A114-L117 PolarHBondContact O-N 3.31Å; L117-R120 PolarHBondContact O-N 3.46Å; L117-A121 WeakPolarHBondContact O-CB 3.04Å; L117-A121 PolarHBondContact O-N 3.13Å |
| 118 | L | 69.3 | Low | 60.1 | Low | 138 Ų | 138 | 120.3 Ų | 120.3 | 72% | 0.723 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.4 | -37.9 | 176.6 | -138.7 | 77.9 | 0 | 0 | 0 | 112.3 | A114 A115 R120 A121 G122 | A114-L118 PolarHBondContact O-N 3.47Å; A115-L118 PolarHBondContact O-N 2.85Å; L118-R120 VanDerWaalsContact C-N 3.34Å; L118-A121 PolarHBondContact O-N 2.92Å; L118-G122 PolarHBondContact O-N 3.5Å |
| 119 | K | 64.7 | Low | 59.5 | Low | 169 Ų | 169 | 119.6 Ų | 119.6 | 74% | 0.735 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -65 | -35.7 | 173.2 | -99.3 | -174.1 | 176.5 | 177.8 | 0 | 112.7 | A115 A116 M123 | A115-K119 PolarHBondContact O-N 3.47Å; A116-K119 PolarHBondContact O-N 2.89Å; K119-M123 WeakPolarHBondContact O-CE 3.36Å |
| 120 | R | 60 | Low | 58.6 | Low | 176 Ų | 176 | 117.6 Ų | 117.6 | 66% | 0.664 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73.5 | -34.8 | 175.4 | -167.6 | -179.2 | -74.9 | 168.2 | -4.8 | 112 | A116 L117 L118 M123 | A116-R120 PolarHBondContact O-N 3.39Å; A116-R120 VanDerWaalsContact O-N 3.08Å; L117-R120 PolarHBondContact O-N 3.46Å; L118-R120 VanDerWaalsContact C-N 3.34Å; R120-M123 WeakPolarHBondContact O-CG 3.31Å |
| 121 | A | 57.9 | Low | 57.9 | Low | 67 Ų | 67 | 115 Ų | 115 | 55% | 0.554 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -73.6 | -28.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L117 L118 M123 | L117-A121 WeakPolarHBondContact O-CB 3.04Å; L117-A121 PolarHBondContact O-N 3.13Å; L118-A121 PolarHBondContact O-N 2.92Å; A121-M123 VanDerWaalsContact C-N 3.33Å; A121-M123 PolarHBondContact O-N 3.48Å |
| 122 | G | 53.6 | Low | 56.8 | Low | 52 Ų | 52 | 116 Ų | 116 | 54% | 0.536 | 67% | 0.667 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.7 | -9.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | L118 | L118-G122 PolarHBondContact O-N 3.5Š|
| 123 | M | 51.9 | Low | 55.6 | Low | 112 Ų | 112 | 116.9 Ų | 116.9 | 55% | 0.552 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -16.3 | 177.1 | 57.6 | 177.5 | 65.6 | 0 | 0 | 113.8 | K119 R120 A121 H125 | K119-M123 WeakPolarHBondContact O-CE 3.36Å; R120-M123 WeakPolarHBondContact O-CG 3.31Å; A121-M123 VanDerWaalsContact C-N 3.33Å; A121-M123 PolarHBondContact O-N 3.48Å; M123-H125 VanDerWaalsContact C-N 3.3Å; M123-H125 PolarHBondContact O-N 3.03Å |
| 124 | E | 49.2 | Very low | 54.4 | Low | 162 Ų | 162 | 118.1 Ų | 118.1 | 76% | 0.757 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -0.8 | -178.8 | -63.2 | -76.3 | 115.1 | 0 | 0 | 113.1 | | |
| 125 | H | 50.4 | Low | 53.1 | Low | 177 Ų | 177 | 118.8 Ų | 118.8 | 82% | 0.819 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.4 | 13.4 | -179.6 | -133 | -77.3 | 0 | 0 | 0 | 114.2 | M123 | M123-H125 VanDerWaalsContact C-N 3.3Å; M123-H125 PolarHBondContact O-N 3.03Å |
| 126 | M | 49.6 | Very low | 52.1 | Low | 163 Ų | 163 | 123.6 Ų | 123.6 | 80% | 0.803 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -122.2 | 30.8 | -179.2 | -82.3 | -78.6 | -83.6 | 0 | 0 | 113 | | |
| 127 | L | 48.3 | Very low | 50.8 | Low | 152 Ų | 152 | 124.1 Ų | 124.1 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | | | trans | -125.2 | 118.5 | 163.5 | -92.3 | 99.3 | 0 | 0 | 0 | 110.7 | | |
| 128 | L | 46.2 | Very low | 49.6 | Very low | 166 Ų | 166 | 123 Ų | 123 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 105 | 143 | 164.5 | -71.9 | 166.3 | 0 | 0 | 0 | 118 | | |
| 129 | P | 49.3 | Very low | 48.1 | Very low | 121 Ų | 121 | 120.2 Ų | 120.2 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | | | | -126.3 | 148.8 | -103.7 | 37.9 | -23.3 | 0 | 0 | 0 | 113.9 | | |
| 130 | G | 42.1 | Very low | 46.9 | Very low | 77 Ų | 77 | 120.2 Ų | 120.2 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | | | trans | 168.4 | 87.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 131 | G | 47.3 | Very low | 46.1 | Very low | 77 Ų | 77 | 116.9 Ų | 116.9 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | trans | -73.6 | 139.8 | -169 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 132 | M | 47.2 | Very low | 45 | Very low | 184 Ų | 184 | 117.5 Ų | 117.5 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | | | trans | -146.2 | 82.3 | 149.4 | -48 | 175.9 | -154 | 0 | 0 | 106.6 | V134 | M132-V134 PolarHBondContact O-N 3.19Š|
| 133 | G | 40.9 | Very low | 44.2 | Very low | 80 Ų | 80 | 121.5 Ų | 121.5 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | | | trans | -71.7 | 115 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | G135 | G133-G135 VanDerWaalsContact C-N 3.3Å; G133-G135 PolarHBondContact O-N 3.42Å |
| 134 | V | 46.3 | Very low | 43.5 | Very low | 139 Ų | 139 | 119.9 Ų | 119.9 | 84% | 0.842 | 83% | 0.827 | S | S | * | * | | | trans | -76.2 | 90.7 | 166.2 | 179.2 | 0 | 0 | 0 | 0 | 107.1 | M132 V136 | M132-V134 PolarHBondContact O-N 3.19Å; V134-V136 PolarHBondContact O-N 3.46Å |
| 135 | G | 40.7 | Very low | 43 | Very low | 69 Ų | 69 | 116.8 Ų | 116.8 | 71% | 0.711 | 83% | 0.829 | S | S | * | * | | | trans | -70.4 | 115.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | G133 G137 | G133-G135 VanDerWaalsContact C-N 3.3Å; G133-G135 PolarHBondContact O-N 3.42Å; G135-G137 PolarHBondContact O-N 3.47Å; G135-G137 VanDerWaalsContact O-N 3.15Å |
| 136 | V | 47.3 | Very low | 42.5 | Very low | 147 Ų | 147 | 114.4 Ų | 114.4 | 89% | 0.891 | 83% | 0.833 | S | S | * | * | | | trans | -75.1 | 93.9 | 161.7 | 174.5 | 0 | 0 | 0 | 0 | 106.7 | V134 | V134-V136 PolarHBondContact O-N 3.46Š|
| 137 | G | 37.1 | Very low | 42.1 | Very low | 72 Ų | 72 | 114.2 Ų | 114.2 | 74% | 0.742 | 84% | 0.835 | S | S | * | * | | | trans | -113.8 | 105.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | G135 | G135-G137 PolarHBondContact O-N 3.47Å; G135-G137 VanDerWaalsContact O-N 3.15Å |
| 138 | G | 41.5 | Very low | 42.2 | Very low | 84 Ų | 84 | 114.5 Ų | 114.5 | 87% | 0.866 | 84% | 0.836 | S | S | * | * | | | trans | -73.7 | 141.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 139 | G | 37.6 | Very low | 42 | Very low | 79 Ų | 79 | 114.7 Ų | 114.7 | 81% | 0.814 | 83% | 0.833 | S | S | * | * | | | trans | -174.8 | 102.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 140 | D | 41.2 | Very low | 41.4 | Very low | 169 Ų | 169 | 112.7 Ų | 112.7 | 90% | 0.904 | 83% | 0.834 | S | S | * | * | | | trans | -68.5 | 159.8 | 164.3 | -93.6 | -56.3 | 0 | 0 | 0 | 111.5 | | |
| 141 | A | 43 | Very low | 41 | Very low | 106 Ų | 106 | 114.5 Ų | 114.5 | 88% | 0.876 | 83% | 0.83 | S | S | * | * | | | trans | 98.1 | 126.3 | 163 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 142 | G | 34.9 | Very low | 40.7 | Very low | 79 Ų | 79 | 115.8 Ų | 115.8 | 81% | 0.814 | 83% | 0.827 | S | S | * | * | | | trans | 133.7 | 103.7 | 139.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 143 | S | 37.1 | Very low | 40.2 | Very low | 136 Ų | 136 | 113 Ų | 113 | 95% | 0.951 | 82% | 0.82 | S | S | * | * | | | trans | -43 | 150.2 | 168.1 | -58.4 | 0 | 0 | 0 | 0 | 116.6 | | |
| 144 | G | 35.5 | Very low | 40.1 | Very low | 78 Ų | 78 | 115.2 Ų | 115.2 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | | | trans | -178.4 | 104 | 160.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 145 | A | 38.8 | Very low | 40 | Very low | 98 Ų | 98 | 116 Ų | 116 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | | | trans | -66.6 | 151 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 146 | S | 41.6 | Very low | 40 | Very low | 127 Ų | 127 | 117.5 Ų | 117.5 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | | | | -171.9 | 129.4 | 126.9 | -74.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 147 | D | 40 | Very low | 39.7 | Very low | 159 Ų | 159 | 117.3 Ų | 117.3 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | | | trans | -75.5 | 168.7 | 177.2 | -138.7 | -86.8 | 0 | 0 | 0 | 111.5 | | |
| 148 | L | 51.3 | Low | 39.6 | Very low | 157 Ų | 157 | 117.6 Ų | 117.6 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | | | trans | 133.6 | 124.6 | 138.5 | -164.3 | 69.3 | 0 | 0 | 0 | 115.7 | | |
| 149 | E | 41.9 | Very low | 39.2 | Very low | 170 Ų | 170 | 117.4 Ų | 117.4 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | | | trans | -45.7 | 162.7 | 177 | -74.4 | -149 | 90.6 | 0 | 0 | 119.2 | | |
| 150 | G | 35.6 | Very low | 39.9 | Very low | 79 Ų | 79 | 119.4 Ų | 119.4 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | | | trans | -176.7 | 104.8 | 154.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 151 | T | 34.5 | Very low | 39.9 | Very low | 116 Ų | 116 | 117.8 Ų | 117.8 | 71% | 0.712 | 82% | 0.817 | S | S | * | * | | | trans | -74.2 | 142.5 | -178.4 | 55 | 0 | 0 | 0 | 0 | 114.9 | | |
| 152 | S | 41.2 | Very low | 40 | Very low | 104 Ų | 104 | 119.8 Ų | 119.8 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | | | trans | 25 | 140 | 143.4 | 67.9 | 0 | 0 | 0 | 0 | 124.2 | | |
| 153 | V | 36.7 | Very low | 39.8 | Very low | 125 Ų | 125 | 125.2 Ų | 125.2 | 76% | 0.758 | 81% | 0.814 | S | S | * | * | | | trans | 99 | 137.8 | 136.5 | 162.3 | 0 | 0 | 0 | 0 | 120.6 | | |
| 154 | T | 38.5 | Very low | 40.6 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | | | trans | 89.2 | 109.3 | 161.3 | 53.9 | 0 | 0 | 0 | 0 | 122.1 | | |
| 155 | D | 43.5 | Very low | 41.3 | Very low | 155 Ų | 155 | 131.2 Ų | 131.2 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | | | | 29.6 | 120.6 | 125.6 | -147.2 | -90.4 | 0 | 0 | 0 | 120.4 | | |
| 156 | A | 41.6 | Very low | 41.4 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | | | trans | -152.9 | 118.3 | 148 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 157 | V | 41.3 | Very low | 41.5 | Very low | 143 Ų | 143 | 130.5 Ų | 130.5 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | | | trans | -70.8 | 140 | 172.8 | 65.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 158 | G | 34.8 | Very low | 41.7 | Very low | 77 Ų | 77 | 126.2 Ų | 126.2 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | | | trans | 120.6 | 114.6 | 148.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 159 | G | 33.8 | Very low | 41.3 | Very low | 80 Ų | 80 | 123.5 Ų | 123.5 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | trans | 130.2 | 116.5 | 152 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 160 | P | 50.7 | Low | 41.6 | Very low | 121 Ų | 121 | 118.5 Ų | 118.5 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | | | trans | -92 | 140.2 | -167.8 | 36.1 | -31.3 | 0 | 0 | 0 | 112.5 | | |
| 161 | V | 42.8 | Very low | 42 | Very low | 136 Ų | 136 | 120.7 Ų | 120.7 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | | | | 172.1 | 141.8 | 121.8 | -81.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 162 | D | 44 | Very low | 42.8 | Very low | 148 Ų | 148 | 118.5 Ų | 118.5 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | | | trans | 70.8 | 57.8 | 158.5 | -93.9 | -85.5 | 0 | 0 | 0 | 120.1 | | |
| 163 | F | 31.8 | Very low | 43.2 | Very low | 192 Ų | 192 | 123.2 Ų | 123.2 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | | | trans | -105.3 | 131.1 | 137.7 | -86.8 | -88.7 | 0 | 0 | 0 | 108.5 | Y165 | F163-Y165 PolarHBondContact O-N 3.39Š|
| 164 | P | 52 | Low | 43.7 | Very low | 129 Ų | 129 | 122.6 Ų | 122.6 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -77.5 | 48 | 175.2 | 34.9 | -35.1 | 0 | 0 | 0 | 110.6 | | |
| 165 | Y | 51.6 | Low | 44.5 | Very low | 212 Ų | 212 | 123.1 Ų | 123.1 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | | | trans | -111.7 | 61.3 | 162.3 | -154.3 | -99.4 | 0 | 0 | 0 | 107.4 | F163 V167 | F163-Y165 PolarHBondContact O-N 3.39Å; Y165-V167 PolarHBondContact O-N 3.25Å |
| 166 | G | 39.8 | Very low | 45.3 | Very low | 62 Ų | 62 | 117.8 Ų | 117.8 | 64% | 0.639 | 75% | 0.747 | S | S | * | * | | | trans | -72.3 | 102.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | G168 | G166-G168 VanDerWaalsContact C-N 3.28Å; G166-G168 PolarHBondContact O-N 3.31Å |
| 167 | V | 45.3 | Very low | 46.4 | Very low | 147 Ų | 147 | 115.6 Ų | 115.6 | 89% | 0.891 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -39.3 | 98.9 | 141.4 | 169.7 | 0 | 0 | 0 | 0 | 107.5 | Y165 | Y165-V167 PolarHBondContact O-N 3.25Š|
| 168 | G | 43.4 | Very low | 47.7 | Very low | 70 Ų | 70 | 115.2 Ų | 115.2 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | | | trans | 161.8 | 5.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | G166 G170 | G166-G168 VanDerWaalsContact C-N 3.28Å; G166-G168 PolarHBondContact O-N 3.31Å; G168-G170 PolarHBondContact O-N 2.71Å; G168-G170 VanDerWaalsContact O-N 3.13Å |
| 169 | S | 42.4 | Very low | 49.7 | Very low | 100 Ų | 100 | 114 Ų | 114 | 70% | 0.699 | 68% | 0.683 | S | S | * | * | | | trans | -85.5 | 71.5 | 154.3 | 53 | 0 | 0 | 0 | 0 | 107.9 | F171 | S169-F171 PolarHBondContact O-N 3.33Š|
| 170 | G | 47.8 | Very low | 51.1 | Low | 65 Ų | 65 | 118 Ų | 118 | 67% | 0.67 | 68% | 0.682 | S | S | * | * | | | trans | -55.5 | 95.5 | 156.5 | 0 | 0 | 0 | 0 | 0 | 107 | G168 P172 | G168-G170 PolarHBondContact O-N 2.71Å; G168-G170 VanDerWaalsContact O-N 3.13Å; G170-P172 VanDerWaalsContact O-CD 3.32Å; G170-P172 WeakPolarHBondContact O-CD 3.36Å; G170-P172 VanDerWaalsContact O-N 3.17Å |
| 171 | F | 45 | Very low | 52.2 | Low | 125 Ų | 125 | 114.9 Ų | 114.9 | 55% | 0.548 | 66% | 0.66 | S | S | . | * | | | trans | -59.3 | 118.3 | 154.9 | -80.5 | -87.4 | 0 | 0 | 0 | 104.3 | S169 F173 L177 | S169-F171 PolarHBondContact O-N 3.33Å; F171-F173 PolarHBondContact O-N 3.06Å; F171-L177 HydrophobicContact CD1-CD2 4.17Å |
| 172 | P | 50.9 | Low | 53.2 | Low | 69 Ų | 69 | 115.6 Ų | 115.6 | 45% | 0.448 | 67% | 0.668 | S | S | . | * | | | trans | -59.1 | 112.3 | 176.2 | 24 | -29.8 | 0 | 0 | 0 | 105.2 | G170 N174 L177 | G170-P172 VanDerWaalsContact O-CD 3.32Å; G170-P172 WeakPolarHBondContact O-CD 3.36Å; G170-P172 VanDerWaalsContact O-N 3.17Å; P172-N174 PolarHBondContact O-N 3.06Å; P172-L177 HydrophobicContact CG-CD2 4.14Å |
| 173 | F | 49.4 | Very low | 54.3 | Low | 204 Ų | 204 | 112.8 Ų | 112.8 | 90% | 0.895 | 67% | 0.665 | S | S | * | * | | | trans | -66.7 | 57.5 | 164.7 | -64.6 | -81.9 | 0 | 0 | 0 | 107.9 | F171 P175 | F171-F173 PolarHBondContact O-N 3.06Å; F173-P175 WeakPolarHBondContact O-CD 3.49Å |
| 174 | N | 47.3 | Very low | 55.8 | Low | 111 Ų | 111 | 105 Ų | 105 | 59% | 0.594 | 64% | 0.639 | S | S | * | * | | | trans | -81.9 | 117.9 | 163.1 | -91.5 | -61 | 0 | 0 | 0 | 105.3 | P172 G176 L177 | P172-N174 PolarHBondContact O-N 3.06Å; N174-G176 VanDerWaalsContact C-N 3.33Å; N174-G176 PolarHBondContact O-N 3.18Å; N174-L177 PolarHBondContact O-N 3.44Å; N174-L177 VanDerWaalsContact O-N 3.09Å |
| 175 | P | 55.1 | Low | 56.7 | Low | 137 Ų | 137 | 102.8 Ų | 102.8 | 89% | 0.89 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | 100.2 | 169.3 | 25.5 | -31.7 | 0 | 0 | 0 | 107.8 | F173 | F173-P175 WeakPolarHBondContact O-CD 3.49Š|
| 176 | G | 59.7 | Low | 57.5 | Low | 44 Ų | 44 | 97.1 Ų | 97.1 | 45% | 0.454 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 133.6 | 1.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | N174 F178 | N174-G176 VanDerWaalsContact C-N 3.33Å; N174-G176 PolarHBondContact O-N 3.18Å; G176-F178 WeakPolarHBondContact O-CD2 3.43Å; G176-F178 WeakPolarHBondContact O-CE2 3.48Å; G176-F178 PolarHBondContact O-N 3.14Å |
| 177 | L | 66.6 | Low | 59.2 | Low | 56 Ų | 56 | 97.8 Ų | 97.8 | 29% | 0.293 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -73.7 | 118.5 | 172.6 | -168.9 | 70.4 | 0 | 0 | 0 | 111 | F171 P172 N174 A188 | F171-L177 HydrophobicContact CD1-CD2 4.17Å; P172-L177 HydrophobicContact CG-CD2 4.14Å; N174-L177 PolarHBondContact O-N 3.44Å; N174-L177 VanDerWaalsContact O-N 3.09Å; L177-A188 PolarHBondContact O-N 3.11Å; L177-A188 VanDerWaalsContact O-N 3.1Å |
| 178 | F | 67.7 | Low | 60 | Low | 134 Ų | 134 | 92.4 Ų | 92.4 | 59% | 0.588 | 56% | 0.563 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.9 | 125.2 | 175.7 | -67.2 | -82.9 | 0 | 0 | 0 | 110.5 | G176 V185 F186 L187 | G176-F178 WeakPolarHBondContact O-CD2 3.43Å; G176-F178 WeakPolarHBondContact O-CE2 3.48Å; G176-F178 PolarHBondContact O-N 3.14Å; F178-V185 HydrophobicContact CB-CG1 3.57Å; F178-V185 HydrophobicContact CD1-CG1 3.97Å; F178-V185 HydrophobicContact CG-CG1 4.11Å; F178-F186 CarbonylContact C-O 3.54Å; F178-F186 WeakPolarHBondContact CA-O 3.19Å; F178-L187 HydrophobicContact CD1-CD2 3.58Å; F178-L187 HydrophobicContact CD1-CG 3.96Å; F178-L187 HydrophobicContact CD2-CD2 4.39Å; F178-L187 HydrophobicContact CE1-CD1 4.43Å; F178-L187 HydrophobicContact CE1-CD2 3.27Å; F178-L187 HydrophobicContact CE1-CG 3.62Å; F178-L187 HydrophobicContact CE2-CD2 4.12Å; F178-L187 HydrophobicContact CG-CD2 4.14Å; F178-L187 HydrophobicContact CZ-CD2 3.57Å; F178-L187 HydrophobicContact CZ-CG 4.32Å |
| 179 | I | 76 | Confident | 60.7 | Low | 53 Ų | 53 | 95.5 Ų | 95.5 | 27% | 0.272 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.8 | 119.6 | 177.2 | -55.1 | 178 | 0 | 0 | 0 | 108.5 | T181 V185 F186 A188 A191 | I179-T181 HydrophobicContact CG2-CG2 4.13Å; I179-V185 WeakPolarHBondContact O-CA 3.4Å; I179-F186 PolarHBondContact N-O 2.93Å; I179-F186 PolarHBondContact O-N 3.41Å; I179-A188 HydrophobicContact CD1-CB 4.02Å; I179-A188 HydrophobicContact CG1-CB 4.38Å; I179-A191 HydrophobicContact CD1-CB 4.06Å |
| 180 | M | 64.3 | Low | 61.4 | Low | 162 Ų | 162 | 93.5 Ų | 93.5 | 80% | 0.798 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 106.2 | 176.9 | -164.7 | 157.2 | 77.6 | 0 | 0 | 109.8 | V185 | M180-V185 HydrophobicContact CB-CG2 4.11Å; M180-V185 HydrophobicContact CG-CG2 3.7Å; M180-V185 HydrophobicContact SD-CG2 3.93Å |
| 181 | T | 72.8 | Confident | 61.8 | Low | 56 Ų | 56 | 91.8 Ų | 91.8 | 34% | 0.344 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 160.9 | 172.3 | 64.6 | 0 | 0 | 0 | 0 | 109.7 | I179 A183 G184 | I179-T181 HydrophobicContact CG2-CG2 4.13Å; T181-A183 PolarHBondContact O-N 2.89Å; T181-G184 PolarHBondContact N-O 3.15Å; T181-G184 PolarHBondContact O-N 3.42Å; T181-G184 VanDerWaalsContact O-O 3.14Å; T181-G184 PolarHBondContact OG1-N 3.11Å; T181-G184 PolarHBondContact OG1-O 3.26Å |
| 182 | P | 63.8 | Low | 62.3 | Low | 152 Ų | 152 | 92.3 Ų | 92.3 | 99% | 0.987 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -17.6 | 173.3 | -25.7 | 34.8 | 0 | 0 | 0 | 114.2 | | |
| 183 | A | 66.8 | Low | 62.5 | Low | 88 Ų | 88 | 96.8 Ų | 96.8 | 73% | 0.727 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -8.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | T181 | T181-A183 PolarHBondContact O-N 2.89Š|
| 184 | G | 64.9 | Low | 62.6 | Low | 28 Ų | 28 | 94.6 Ų | 94.6 | 29% | 0.289 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 137.3 | 178.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | T181 F186 | T181-G184 PolarHBondContact N-O 3.15Å; T181-G184 PolarHBondContact O-N 3.42Å; T181-G184 VanDerWaalsContact O-O 3.14Å; T181-G184 PolarHBondContact OG1-N 3.11Å; T181-G184 PolarHBondContact OG1-O 3.26Å; G184-F186 WeakPolarHBondContact O-CD2 3.35Å |
| 185 | V | 70.7 | Confident | 63 | Low | 84 Ų | 84 | 93 Ų | 93 | 51% | 0.509 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 119.2 | 178 | -178 | 0 | 0 | 0 | 0 | 109.3 | F178 I179 M180 | F178-V185 HydrophobicContact CB-CG1 3.57Å; F178-V185 HydrophobicContact CD1-CG1 3.97Å; F178-V185 HydrophobicContact CG-CG1 4.11Å; I179-V185 WeakPolarHBondContact O-CA 3.4Å; M180-V185 HydrophobicContact CB-CG2 4.11Å; M180-V185 HydrophobicContact CG-CG2 3.7Å; M180-V185 HydrophobicContact SD-CG2 3.93Å |
| 186 | F | 68.6 | Low | 62.7 | Low | 92 Ų | 92 | 89.1 Ų | 89.1 | 40% | 0.404 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 146.4 | -178.7 | -64.1 | -88.2 | 0 | 0 | 0 | 111.2 | F178 I179 G184 | F178-F186 CarbonylContact C-O 3.54Å; F178-F186 WeakPolarHBondContact CA-O 3.19Å; I179-F186 PolarHBondContact N-O 2.93Å; I179-F186 PolarHBondContact O-N 3.41Å; G184-F186 WeakPolarHBondContact O-CD2 3.35Å |
| 187 | L | 75.1 | Confident | 62.7 | Low | 76 Ų | 76 | 94.9 Ų | 94.9 | 40% | 0.398 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -65.5 | 139.2 | 167 | -73.9 | 169.7 | 0 | 0 | 0 | 109 | F178 D189 S190 A191 | F178-L187 HydrophobicContact CD1-CD2 3.58Å; F178-L187 HydrophobicContact CD1-CG 3.96Å; F178-L187 HydrophobicContact CD2-CD2 4.39Å; F178-L187 HydrophobicContact CE1-CD1 4.43Å; F178-L187 HydrophobicContact CE1-CD2 3.27Å; F178-L187 HydrophobicContact CE1-CG 3.62Å; F178-L187 HydrophobicContact CE2-CD2 4.12Å; F178-L187 HydrophobicContact CG-CD2 4.14Å; F178-L187 HydrophobicContact CZ-CD2 3.57Å; F178-L187 HydrophobicContact CZ-CG 4.32Å; L187-D189 PolarHBondContact O-N 3.45Å; L187-D189 VanDerWaalsContact O-N 3.07Å; L187-S190 PolarHBondContact O-N 3.48Å; L187-S190 PolarHBondContact O-OG 3.19Å; L187-A191 PolarHBondContact O-N 3.37Å |
| 188 | A | 62.4 | Low | 61.3 | Low | 35 Ų | 35 | 98.7 Ų | 98.7 | 29% | 0.289 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -53.7 | -32.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L177 I179 S190 A191 L192 | L177-A188 PolarHBondContact O-N 3.11Å; L177-A188 VanDerWaalsContact O-N 3.1Å; I179-A188 HydrophobicContact CD1-CB 4.02Å; I179-A188 HydrophobicContact CG1-CB 4.38Å; A188-S190 VanDerWaalsContact C-N 3.35Å; A188-S190 PolarHBondContact O-N 2.92Å; A188-A191 PolarHBondContact O-N 3.22Å; A188-L192 PolarHBondContact O-N 3.33Å |
| 189 | D | 58.2 | Low | 60.3 | Low | 135 Ų | 135 | 101.3 Ų | 101.3 | 72% | 0.722 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.7 | -34.9 | 177.8 | -166.9 | 42.5 | 0 | 0 | 0 | 112.9 | L187 | L187-D189 PolarHBondContact O-N 3.45Å; L187-D189 VanDerWaalsContact O-N 3.07Å |
| 190 | S | 56.3 | Low | 58.5 | Low | 58 Ų | 58 | 108.2 Ų | 108.2 | 41% | 0.406 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -79.2 | -24.6 | 175.6 | -24.8 | 0 | 0 | 0 | 0 | 112.6 | L187 A188 M194 | L187-S190 PolarHBondContact O-N 3.48Å; L187-S190 PolarHBondContact O-OG 3.19Å; A188-S190 VanDerWaalsContact C-N 3.35Å; A188-S190 PolarHBondContact O-N 2.92Å; S190-M194 WeakPolarHBondContact O-CG 3.38Å |
| 191 | A | 56 | Low | 57.7 | Low | 29 Ų | 29 | 106.1 Ų | 106.1 | 24% | 0.24 | 61% | 0.614 | C | S | . | * | H | α-helix | trans | -75.8 | -36.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I179 L187 A188 H193 M194 A195 | I179-A191 HydrophobicContact CD1-CB 4.06Å; L187-A191 PolarHBondContact O-N 3.37Å; A188-A191 PolarHBondContact O-N 3.22Å; A191-H193 VanDerWaalsContact C-N 3.33Å; A191-H193 PolarHBondContact O-N 2.95Å; A191-M194 PolarHBondContact O-N 2.79Å; A191-M194 VanDerWaalsContact O-N 3.17Å; A191-A195 PolarHBondContact O-N 3.1Å |
| 192 | L | 56 | Low | 56.6 | Low | 135 Ų | 135 | 105 Ų | 105 | 71% | 0.707 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66 | -37.7 | 176.3 | -158.3 | 82.4 | 0 | 0 | 0 | 111.7 | A188 M194 A195 G196 | A188-L192 PolarHBondContact O-N 3.33Å; L192-M194 PolarHBondContact O-N 3.44Å; L192-A195 PolarHBondContact O-N 2.73Å; L192-A195 VanDerWaalsContact O-N 3.11Å; L192-G196 PolarHBondContact O-N 3.47Å; L192-G196 VanDerWaalsContact O-N 3.15Å |
| 193 | H | 55.8 | Low | 55.8 | Low | 164 Ų | 164 | 105.1 Ų | 105.1 | 76% | 0.759 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -61 | -21.4 | 174 | -109.5 | 93.4 | 0 | 0 | 0 | 113.9 | A191 | A191-H193 VanDerWaalsContact C-N 3.33Å; A191-H193 PolarHBondContact O-N 2.95Å |
| 194 | M | 51.3 | Low | 55.1 | Low | 157 Ų | 157 | 105 Ų | 105 | 77% | 0.773 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -95.2 | -19.9 | 177.4 | -65.5 | -74.9 | -79.9 | 0 | 0 | 112.6 | S190 A191 L192 | S190-M194 WeakPolarHBondContact O-CG 3.38Å; A191-M194 PolarHBondContact O-N 2.79Å; A191-M194 VanDerWaalsContact O-N 3.17Å; L192-M194 PolarHBondContact O-N 3.44Å |
| 195 | A | 54.8 | Low | 54.6 | Low | 77 Ų | 77 | 111 Ų | 111 | 64% | 0.636 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -97.7 | -19.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A191 L192 L197 | A191-A195 PolarHBondContact O-N 3.1Å; L192-A195 PolarHBondContact O-N 2.73Å; L192-A195 VanDerWaalsContact O-N 3.11Å; A195-L197 PolarHBondContact O-N 3.5Å |
| 196 | G | 49.1 | Very low | 53.8 | Low | 57 Ų | 57 | 113.2 Ų | 113.2 | 59% | 0.588 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -88.7 | 96.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | L192 T198 | L192-G196 PolarHBondContact O-N 3.47Å; L192-G196 VanDerWaalsContact O-N 3.15Å; G196-T198 PolarHBondContact O-N 3.41Å |
| 197 | L | 59.1 | Low | 53 | Low | 165 Ų | 165 | 111.1 Ų | 111.1 | 86% | 0.864 | 62% | 0.62 | S | S | * | * | | | trans | -60.2 | 119 | 176.9 | -56.1 | 179.1 | 0 | 0 | 0 | 111.9 | A195 | A195-L197 PolarHBondContact O-N 3.5Š|
| 198 | T | 37.2 | Very low | 52 | Low | 136 Ų | 136 | 111.3 Ų | 111.3 | 83% | 0.834 | 63% | 0.628 | S | S | * | * | | | trans | -158.1 | 118.2 | 138.9 | 47.4 | 0 | 0 | 0 | 0 | 110.3 | G196 | G196-T198 PolarHBondContact O-N 3.41Š|
| 199 | E | 47 | Very low | 51.6 | Low | 188 Ų | 188 | 113 Ų | 113 | 88% | 0.879 | 64% | 0.642 | S | S | * | * | | | trans | 12.7 | 107.4 | 152.8 | -166.4 | 146.1 | -172.4 | 0 | 0 | 119.4 | | |
| 200 | Y | 38.7 | Very low | 51.5 | Low | 198 Ų | 198 | 113.7 Ų | 113.7 | 78% | 0.776 | 64% | 0.644 | S | S | * | * | | | trans | -152.8 | 124.1 | 156.4 | -135.3 | -100.3 | 0 | 0 | 0 | 111.5 | A202 | Y200-A202 HydrophobicContact CD1-CB 3.6Å; Y200-A202 HydrophobicContact CE1-CB 4.04Å; Y200-A202 PolarHBondContact O-N 3.18Å; Y200-A202 VanDerWaalsContact O-N 3.12Å |
| 201 | P | 46.2 | Very low | 51.5 | Low | 119 Ų | 119 | 114.1 Ų | 114.1 | 77% | 0.773 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 11.8 | -178.2 | 30.3 | -32.5 | 0 | 0 | 0 | 114.5 | Q203 | P201-Q203 PolarHBondContact O-N 3.38Š|
| 202 | A | 50.1 | Low | 51.5 | Low | 31 Ų | 31 | 118.2 Ų | 118.2 | 26% | 0.256 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.9 | -3.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y200 S204 E205 | Y200-A202 HydrophobicContact CD1-CB 3.6Å; Y200-A202 HydrophobicContact CE1-CB 4.04Å; Y200-A202 PolarHBondContact O-N 3.18Å; Y200-A202 VanDerWaalsContact O-N 3.12Å; A202-S204 VanDerWaalsContact C-N 3.26Å; A202-S204 PolarHBondContact O-N 2.87Å; A202-E205 PolarHBondContact O-N 3.3Å |
| 203 | Q | 47.3 | Very low | 51.6 | Low | 156 Ų | 156 | 115 Ų | 115 | 73% | 0.729 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -68.4 | -25.4 | -176.9 | -145.8 | -160 | 46.2 | 0 | 0 | 113 | P201 A207 | P201-Q203 PolarHBondContact O-N 3.38Å; Q203-A207 VanDerWaalsContact O-CB 3.24Å; Q203-A207 WeakPolarHBondContact O-CB 3.18Å; Q203-A207 PolarHBondContact O-N 3.42Å |
| 204 | S | 52.9 | Low | 52.1 | Low | 86 Ų | 86 | 117 Ų | 117 | 60% | 0.601 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -71.9 | -33.2 | 178.9 | 176.2 | 0 | 0 | 0 | 0 | 113 | A202 S208 | A202-S204 VanDerWaalsContact C-N 3.26Å; A202-S204 PolarHBondContact O-N 2.87Å; S204-S208 WeakPolarHBondContact O-CB 3.39Å; S204-S208 PolarHBondContact O-N 3.47Å; S204-S208 PolarHBondContact O-OG 3.42Å |
| 205 | E | 54.2 | Low | 53.5 | Low | 154 Ų | 154 | 116.1 Ų | 116.1 | 72% | 0.72 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -79.7 | -42.9 | -175 | -71.3 | -168.4 | 120.4 | 0 | 0 | 112 | A202 S208 A209 | A202-E205 PolarHBondContact O-N 3.3Å; E205-S208 WeakPolarHBondContact O-CB 3.3Å; E205-S208 PolarHBondContact O-N 2.95Å; E205-A209 PolarHBondContact O-N 2.99Å |
| 206 | L | 53.4 | Low | 55 | Low | 129 Ų | 129 | 121.5 Ų | 121.5 | 68% | 0.675 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -69.5 | -39.5 | 177.3 | -72.7 | 163.7 | 0 | 0 | 0 | 112.2 | S208 A209 | L206-S208 PolarHBondContact O-N 2.92Å; L206-A209 PolarHBondContact O-N 3.08Å |
| 207 | A | 51.6 | Low | 56.9 | Low | 48 Ų | 48 | 124.5 Ų | 124.5 | 40% | 0.397 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -67.6 | -16.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q203 | Q203-A207 VanDerWaalsContact O-CB 3.24Å; Q203-A207 WeakPolarHBondContact O-CB 3.18Å; Q203-A207 PolarHBondContact O-N 3.42Å |
| 208 | S | 54 | Low | 58.4 | Low | 80 Ų | 80 | 125.3 Ų | 125.3 | 56% | 0.559 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -87.5 | -26.3 | 175.5 | -65.6 | 0 | 0 | 0 | 0 | 112.9 | S204 E205 L206 | S204-S208 WeakPolarHBondContact O-CB 3.39Å; S204-S208 PolarHBondContact O-N 3.47Å; S204-S208 PolarHBondContact O-OG 3.42Å; E205-S208 WeakPolarHBondContact O-CB 3.3Å; E205-S208 PolarHBondContact O-N 2.95Å; L206-S208 PolarHBondContact O-N 2.92Å |
| 209 | A | 54.1 | Low | 61.1 | Low | 71 Ų | 71 | 127.8 Ų | 127.8 | 59% | 0.587 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -72.8 | -33.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E205 L206 | E205-A209 PolarHBondContact O-N 2.99Å; L206-A209 PolarHBondContact O-N 3.08Å |
| 210 | I | 55.9 | Low | 63.4 | Low | 150 Ų | 150 | 120.6 Ų | 120.6 | 77% | 0.769 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -87.9 | -3.1 | 179.3 | 55.5 | 175.3 | 0 | 0 | 0 | 114.6 | | |
| 211 | N | 55.9 | Low | 66.1 | Low | 66 Ų | 66 | 112.7 Ų | 112.7 | 35% | 0.353 | 61% | 0.609 | S | S | . | * | | | trans | -109.9 | 42.2 | 177.7 | -152.8 | -38.2 | 0 | 0 | 0 | 112.8 | G213 K215 | N211-G213 VanDerWaalsContact C-N 3.26Å; N211-G213 PolarHBondContact O-N 3.11Å; N211-K215 HydrophobicContact CB-CB 4.16Å; N211-K215 HydrophobicContact CB-CD 4.32Å; N211-K215 WeakPolarHBondContact ND2-CB 3.26Å; N211-K215 WeakPolarHBondContact ND2-CD 3.29Å; N211-K215 WeakPolarHBondContact OD1-CB 3.33Å; N211-K215 PolarHBondContact OD1-N 3.46Å |
| 212 | S | 56.8 | Low | 68.5 | Low | 115 Ų | 115 | 113.8 Ų | 113.8 | 80% | 0.804 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -5 | -169.1 | 49.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 213 | G | 57.8 | Low | 70.7 | Confident | 68 Ų | 68 | 112.9 Ų | 112.9 | 70% | 0.701 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | -36.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | N211 | N211-G213 VanDerWaalsContact C-N 3.26Å; N211-G213 PolarHBondContact O-N 3.11Å |
| 214 | K | 67.5 | Low | 73.1 | Confident | 206 Ų | 206 | 108.2 Ų | 108.2 | 90% | 0.896 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.7 | -10.3 | -158.1 | -68.1 | 170.5 | -174.6 | 172.5 | 0 | 115.9 | | |
| 215 | K | 80.8 | Confident | 75.2 | Confident | 138 Ų | 138 | 104.6 Ų | 104.6 | 60% | 0.6 | 55% | 0.554 | S | S | * | * | | | trans | -85.9 | 127.5 | 178.8 | -175.9 | 165 | 177.2 | 176.7 | 0 | 112.3 | N211 R217 | N211-K215 HydrophobicContact CB-CB 4.16Å; N211-K215 HydrophobicContact CB-CD 4.32Å; N211-K215 WeakPolarHBondContact ND2-CB 3.26Å; N211-K215 WeakPolarHBondContact ND2-CD 3.29Å; N211-K215 WeakPolarHBondContact OD1-CB 3.33Å; N211-K215 PolarHBondContact OD1-N 3.46Å; K215-R217 PolarHBondContact O-N 3.41Å; K215-R217 VanDerWaalsContact O-N 3.15Å |
| 216 | K | 85 | Confident | 77.2 | Confident | 190 Ų | 190 | 98.2 Ų | 98.2 | 83% | 0.826 | 53% | 0.527 | S | S | * | . | | | trans | -60.8 | 114.1 | 174.4 | -175.8 | 175.2 | -177.8 | 174.8 | 0 | 110.1 | | |
| 217 | R | 89.3 | Confident | 79.3 | Confident | 120 Ų | 120 | 99.1 Ų | 99.1 | 45% | 0.453 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 140.2 | 173 | -72 | 178.5 | -80.8 | 138.6 | -4.4 | 111.2 | K215 L256 K258 | K215-R217 PolarHBondContact O-N 3.41Å; K215-R217 VanDerWaalsContact O-N 3.15Å; R217-L256 HydrophobicContact CB-CD2 3.38Å; R217-K258 PolarHBondContact NH1-O 3.24Å |
| 218 | K | 91 | Very high | 81.4 | Confident | 182 Ų | 182 | 102.2 Ų | 102.2 | 79% | 0.791 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -80.4 | 162.7 | 176.4 | -63.4 | -68.3 | -177.3 | 170.6 | 0 | 110.5 | | |
| 219 | R | 94.4 | Very high | 83.4 | Confident | 188 Ų | 188 | 108.2 Ų | 108.2 | 71% | 0.709 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -88.7 | 148.3 | 175.7 | 58.2 | 176.4 | 178.2 | -104.1 | -3.5 | 109.2 | G221 C253 L256 | R219-G221 VanDerWaalsContact C-N 3.33Å; R219-G221 PolarHBondContact O-N 3.46Å; R219-C253 HydrophobicContact CB-CB 4.25Å; R219-L256 HydrophobicContact CB-CD1 4.27Å |
| 220 | C | 94.9 | Very high | 85.4 | Confident | 38 Ų | 38 | 111.6 Ų | 111.6 | 26% | 0.257 | 54% | 0.54 | S | S | . | . | | | trans | -72.1 | -24.2 | -179.8 | 72.9 | 0 | 0 | 0 | 0 | 114.4 | M222 C223 C253 E255 | C220-M222 PolarHBondContact O-N 3.05Å; C220-C223 PolarHBondContact SG-N 3.23Å; C220-C223 VanDerWaalsContact SG-N 3.44Å; C220-C223 PolarHBondContact SG-SG 2.83Å; C220-C253 PolarHBondContact N-SG 3.2Å; C220-E255 HydrophobicContact CB-CG 4.4Å; C220-E255 WeakPolarHBondContact CB-OE1 3.29Å; C220-E255 VanDerWaalsContact CB-OE2 3.31Å; C220-E255 WeakPolarHBondContact CB-OE2 3.46Å |
| 221 | G | 95.3 | Very high | 87.3 | Confident | 32 Ų | 32 | 106.5 Ų | 106.5 | 33% | 0.33 | 51% | 0.514 | S | S | . | . | S | Bend | trans | 79.6 | -25.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R219 | R219-G221 VanDerWaalsContact C-N 3.33Å; R219-G221 PolarHBondContact O-N 3.46Å |
| 222 | M | 96.4 | Very high | 89.3 | Confident | 142 Ų | 142 | 105.1 Ų | 105.1 | 70% | 0.7 | 51% | 0.509 | S | S | * | . | | | trans | -100.4 | -16.7 | -171.4 | -59.8 | -56.4 | -80.1 | 0 | 0 | 115.1 | C220 R227 | C220-M222 PolarHBondContact O-N 3.05Å; M222-R227 PolarHBondContact O-NH1 3.47Å |
| 223 | C | 96.6 | Very high | 91.1 | Very high | 12 Ų | 12 | 107 Ų | 107 | 8% | 0.081 | 51% | 0.505 | C | S | . | . | S | Bend | trans | -72.9 | 154.5 | 177.8 | 65.9 | 0 | 0 | 0 | 0 | 112 | C220 P225 C226 R227 E254 | C220-C223 PolarHBondContact SG-N 3.23Å; C220-C223 VanDerWaalsContact SG-N 3.44Å; C220-C223 PolarHBondContact SG-SG 2.83Å; C223-P225 VanDerWaalsContact C-CD 3.43Å; C223-P225 VanDerWaalsContact C-N 3.32Å; C223-P225 HydrophobicContact CB-CG 4.34Å; C223-P225 VanDerWaalsContact SG-CG 3.55Å; C223-C226 WeakPolarHBondContact O-CA 3.41Å; C223-C226 WeakPolarHBondContact O-CB 3.42Å; C223-C226 PolarHBondContact O-N 3Å; C223-C226 PolarHBondContact SG-SG 3.18Å; C223-R227 PolarHBondContact O-N 3.16Å; C223-R227 VanDerWaalsContact O-N 3.13Å; C223-E254 HydrophobicContact CB-CB 4.38Å; C223-E254 HydrophobicContact CB-CG 4.33Å |
| 224 | P | 96.6 | Very high | 93 | Very high | 58 Ų | 58 | 112.5 Ų | 112.5 | 38% | 0.377 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -47.1 | -43.5 | 177.1 | -25.3 | 32.5 | 0 | 0 | 0 | 115.1 | C226 R227 | P224-C226 VanDerWaalsContact C-N 3.35Å; P224-C226 PolarHBondContact O-N 3.4Å; P224-R227 PolarHBondContact O-N 3.33Å |
| 225 | P | 97.4 | Very high | 94.5 | Very high | 9 Ų | 9 | 103.3 Ų | 103.3 | 6% | 0.058 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -69 | -28.6 | 176.3 | 23.7 | -30.2 | 0 | 0 | 0 | 113.8 | C223 F250 R251 K252 E254 | C223-P225 VanDerWaalsContact C-CD 3.43Å; C223-P225 VanDerWaalsContact C-N 3.32Å; C223-P225 HydrophobicContact CB-CG 4.34Å; C223-P225 VanDerWaalsContact SG-CG 3.55Å; P225-F250 WeakPolarHBondContact CA-O 3.38Å; P225-F250 WeakPolarHBondContact CB-O 3.49Å; P225-R251 WeakPolarHBondContact O-CA 3.15Å; P225-K252 WeakPolarHBondContact CB-O 3.02Å; P225-K252 VanDerWaalsContact CG-O 3.26Å; P225-K252 WeakPolarHBondContact CG-O 3.46Å; P225-E254 VanDerWaalsContact CD-OE1 3.3Å; P225-E254 WeakPolarHBondContact CD-OE1 3.28Å; P225-E254 HydrophobicContact CG-CG 3.94Å |
| 226 | C | 97.3 | Very high | 95.2 | Very high | 21 Ų | 21 | 100.7 Ų | 100.7 | 14% | 0.142 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -72.6 | -33.8 | 176.2 | -79.9 | 0 | 0 | 0 | 0 | 113.4 | C223 P224 R228 C253 | C223-C226 WeakPolarHBondContact O-CA 3.41Å; C223-C226 WeakPolarHBondContact O-CB 3.42Å; C223-C226 PolarHBondContact O-N 3Å; C223-C226 PolarHBondContact SG-SG 3.18Å; P224-C226 VanDerWaalsContact C-N 3.35Å; P224-C226 PolarHBondContact O-N 3.4Å; C226-R228 PolarHBondContact O-N 2.89Å; C226-C253 VanDerWaalsContact SG-CB 3.58Å |
| 227 | R | 96.8 | Very high | 95.8 | Very high | 147 Ų | 147 | 93.1 Ų | 93.1 | 56% | 0.555 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -70.6 | -20.2 | 177.9 | -67.8 | -171.5 | -73.2 | -119.6 | -2.3 | 113.2 | M222 C223 P224 R229 | M222-R227 PolarHBondContact O-NH1 3.47Å; C223-R227 PolarHBondContact O-N 3.16Å; C223-R227 VanDerWaalsContact O-N 3.13Å; P224-R227 PolarHBondContact O-N 3.33Å; R227-R229 PolarHBondContact O-N 3.42Å |
| 228 | R | 96.4 | Very high | 96.1 | Very high | 113 Ų | 113 | 87.8 Ų | 87.8 | 43% | 0.426 | 43% | 0.425 | S | S | . | . | | | trans | -69.1 | 118.8 | 176.7 | -69.1 | -177.5 | -175 | 104.5 | 6.5 | 111.8 | C226 F250 R251 | C226-R228 PolarHBondContact O-N 2.89Å; R228-F250 WeakPolarHBondContact CD-O 3.45Å; R228-F250 PolarHBondContact NH1-O 2.95Å; R228-R251 HydrophobicContact CB-CG 4.08Å; R228-R251 PolarHBondContact O-NE 3.45Å; R228-R251 PolarHBondContact O-NH2 3.24Å; R228-R251 VanDerWaalsContact O-NH2 3.14Å |
| 229 | R | 95.6 | Very high | 96.4 | Very high | 207 Ų | 207 | 89.5 Ų | 89.5 | 78% | 0.781 | 43% | 0.427 | S | S | * | . | | | trans | -85 | -39.8 | 175.8 | -59.1 | -61.6 | 179.6 | 171.4 | -1.1 | 112.3 | R227 R251 | R227-R229 PolarHBondContact O-N 3.42Å; R229-R251 VanDerWaalsContact O-CZ 3.22Å; R229-R251 PolarHBondContact O-NH1 3.43Å; R229-R251 PolarHBondContact O-NH2 3.1Å |
| 230 | I | 96 | Very high | 96.5 | Very high | 142 Ų | 142 | 85 Ų | 85 | 73% | 0.728 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -87.5 | 152.7 | -179.7 | 63.4 | 171.7 | 0 | 0 | 0 | 112.3 | R251 | I230-R251 VanDerWaalsContact O-CD 3.29Å; I230-R251 WeakPolarHBondContact O-CD 3.45Å |
| 231 | N | 96.1 | Very high | 96.5 | Very high | 43 Ų | 43 | 88.2 Ų | 88.2 | 23% | 0.23 | 42% | 0.424 | C | S | . | . | | | trans | -88.7 | 149.7 | 175.3 | -62.1 | -69.9 | 0 | 0 | 0 | 110.2 | E233 R241 R251 | N231-E233 PolarHBondContact O-N 2.99Å; N231-R241 PolarHBondContact ND2-NH1 3.35Å; N231-R241 VanDerWaalsContact ND2-NH1 3.1Å; N231-R241 PolarHBondContact OD1-NH1 3.31Å; N231-R241 PolarHBondContact OD1-NH2 3.11Å; N231-R251 VanDerWaalsContact OD1-CD 3.29Å; N231-R251 WeakPolarHBondContact OD1-CD 3.47Å; N231-R251 PolarHBondContact OD1-NH1 3.28Å |
| 232 | C | 96.4 | Very high | 96.5 | Very high | 37 Ų | 37 | 96.7 Ų | 96.7 | 25% | 0.25 | 45% | 0.451 | C | S | . | . | | | trans | -74.7 | -13.7 | -178.7 | 78.5 | 0 | 0 | 0 | 0 | 114.4 | Q234 C235 C238 C248 F250 | C232-Q234 WeakPolarHBondContact O-CG 3.37Å; C232-Q234 PolarHBondContact O-N 2.96Å; C232-C235 PolarHBondContact SG-N 3.15Å; C232-C235 VanDerWaalsContact SG-N 3.41Å; C232-C235 VanDerWaalsContact SG-SG 3.63Å; C232-C238 VanDerWaalsContact SG-SG 3.66Å; C232-C248 PolarHBondContact SG-SG 3.36Å; C232-F250 HydrophobicContact CB-CD2 3.58Å; C232-F250 HydrophobicContact CB-CE2 4.13Å; C232-F250 HydrophobicContact CB-CG 4.39Å; C232-F250 WeakPolarHBondContact SG-CD2 3.27Å |
| 233 | E | 96.3 | Very high | 96.4 | Very high | 153 Ų | 153 | 95.8 Ų | 95.8 | 72% | 0.715 | 45% | 0.454 | S | S | * | . | S | Bend | trans | 58.3 | -17.5 | -176.9 | -64.2 | 178 | -175.8 | 0 | 0 | 117.8 | N231 C238 | N231-E233 PolarHBondContact O-N 2.99Å; E233-C238 VanDerWaalsContact C-CB 3.49Å; E233-C238 PolarHBondContact N-SG 3.12Å; E233-C238 WeakPolarHBondContact O-CB 3.43Å |
| 234 | Q | 97.6 | Very high | 96.3 | Very high | 184 Ų | 184 | 96.6 Ų | 96.6 | 86% | 0.86 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -97 | -18.1 | -173.5 | -61.7 | 170.4 | 30 | 0 | 0 | 114.6 | C232 | C232-Q234 WeakPolarHBondContact O-CG 3.37Å; C232-Q234 PolarHBondContact O-N 2.96Å |
| 235 | C | 97.6 | Very high | 96.1 | Very high | 13 Ų | 13 | 102.8 Ų | 102.8 | 9% | 0.088 | 49% | 0.488 | C | S | . | . | S | Bend | trans | -77.9 | 159.5 | -178.9 | 76.7 | 0 | 0 | 0 | 0 | 112 | C232 S237 C238 R239 K249 F250 | C232-C235 PolarHBondContact SG-N 3.15Å; C232-C235 VanDerWaalsContact SG-N 3.41Å; C232-C235 VanDerWaalsContact SG-SG 3.63Å; C235-S237 VanDerWaalsContact C-N 3.32Å; C235-S237 PolarHBondContact O-N 3.49Å; C235-C238 CarbonylContact O-C 3.58Å; C235-C238 WeakPolarHBondContact O-CA 3.14Å; C235-C238 VanDerWaalsContact O-CB 3.28Å; C235-C238 WeakPolarHBondContact O-CB 3.28Å; C235-C238 PolarHBondContact O-N 3.14Å; C235-C238 PolarHBondContact SG-N 3.24Å; C235-C238 PolarHBondContact SG-SG 3.38Å; C235-R239 PolarHBondContact O-N 2.97Å; C235-K249 HydrophobicContact CB-CB 3.93Å; C235-K249 PolarHBondContact SG-N 2.89Å; C235-K249 VanDerWaalsContact SG-N 3.42Å; C235-F250 HydrophobicContact CB-CD2 4.49Å; C235-F250 HydrophobicContact CB-CE2 4.23Å |
| 236 | S | 96.2 | Very high | 96 | Very high | 84 Ų | 84 | 108.4 Ų | 108.4 | 59% | 0.587 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -52.6 | -45 | 178.7 | 56.7 | 0 | 0 | 0 | 0 | 113.4 | C238 R239 N240 | S236-C238 PolarHBondContact O-N 2.78Å; S236-R239 PolarHBondContact O-N 3.15Å; S236-R239 VanDerWaalsContact O-N 3.14Å; S236-N240 PolarHBondContact O-N 3.22Å; S236-N240 PolarHBondContact O-OD1 3.5Å |
| 237 | S | 97 | Very high | 95.9 | Very high | 30 Ų | 30 | 111.2 Ų | 111.2 | 21% | 0.21 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -62.3 | -27.9 | 175.5 | -46.8 | 0 | 0 | 0 | 0 | 113.4 | C235 | C235-S237 VanDerWaalsContact C-N 3.32Å; C235-S237 PolarHBondContact O-N 3.49Å |
| 238 | C | 97.4 | Very high | 95.9 | Very high | 8 Ų | 8 | 104.2 Ų | 104.2 | 5% | 0.054 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -77.7 | -42.6 | 173.5 | -73.6 | 0 | 0 | 0 | 0 | 111.6 | C232 E233 C235 S236 N240 R241 C248 | C232-C238 VanDerWaalsContact SG-SG 3.66Å; E233-C238 VanDerWaalsContact C-CB 3.49Å; E233-C238 PolarHBondContact N-SG 3.12Å; E233-C238 WeakPolarHBondContact O-CB 3.43Å; C235-C238 CarbonylContact O-C 3.58Å; C235-C238 WeakPolarHBondContact O-CA 3.14Å; C235-C238 VanDerWaalsContact O-CB 3.28Å; C235-C238 WeakPolarHBondContact O-CB 3.28Å; C235-C238 PolarHBondContact O-N 3.14Å; C235-C238 PolarHBondContact SG-N 3.24Å; C235-C238 PolarHBondContact SG-SG 3.38Å; S236-C238 PolarHBondContact O-N 2.78Å; C238-N240 VanDerWaalsContact C-N 3.27Å; C238-N240 PolarHBondContact O-N 3.49Å; C238-R241 WeakPolarHBondContact O-CB 3.35Å; C238-R241 VanDerWaalsContact O-CD 3.27Å; C238-R241 WeakPolarHBondContact O-CD 3.38Å; C238-R241 WeakPolarHBondContact O-CG 3.49Å; C238-R241 PolarHBondContact O-N 3.12Å; C238-R241 PolarHBondContact SG-NH2 3.28Å; C238-C248 PolarHBondContact SG-SG 3.16Å |
| 239 | R | 97.1 | Very high | 95.9 | Very high | 219 Ų | 219 | 106 Ų | 106 | 83% | 0.826 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.4 | -35.4 | 179.4 | -168.2 | 175 | 179.9 | 171.4 | -0.3 | 112 | C235 S236 | C235-R239 PolarHBondContact O-N 2.97Å; S236-R239 PolarHBondContact O-N 3.15Å; S236-R239 VanDerWaalsContact O-N 3.14Å |
| 240 | N | 96.7 | Very high | 96 | Very high | 94 Ų | 94 | 101.4 Ų | 101.4 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 28 | 178.2 | -61.3 | 93.7 | 0 | 0 | 0 | 113.3 | S236 C238 K242 T243 G244 | S236-N240 PolarHBondContact O-N 3.22Å; S236-N240 PolarHBondContact O-OD1 3.5Å; C238-N240 VanDerWaalsContact C-N 3.27Å; C238-N240 PolarHBondContact O-N 3.49Å; N240-K242 PolarHBondContact O-N 3.48Å; N240-K242 VanDerWaalsContact O-N 3.15Å; N240-T243 PolarHBondContact O-N 3.43Å; N240-T243 VanDerWaalsContact O-N 3.12Å; N240-G244 PolarHBondContact O-N 3.33Å |
| 241 | R | 94.2 | Very high | 96 | Very high | 105 Ų | 105 | 97.6 Ų | 97.6 | 40% | 0.396 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -35.7 | -177 | -92.8 | 167.2 | -171.8 | -75.9 | -27.3 | 115.3 | N231 C238 T243 | N231-R241 PolarHBondContact ND2-NH1 3.35Å; N231-R241 VanDerWaalsContact ND2-NH1 3.1Å; N231-R241 PolarHBondContact OD1-NH1 3.31Å; N231-R241 PolarHBondContact OD1-NH2 3.11Å; C238-R241 WeakPolarHBondContact O-CB 3.35Å; C238-R241 VanDerWaalsContact O-CD 3.27Å; C238-R241 WeakPolarHBondContact O-CD 3.38Å; C238-R241 WeakPolarHBondContact O-CG 3.49Å; C238-R241 PolarHBondContact O-N 3.12Å; C238-R241 PolarHBondContact SG-NH2 3.28Å; R241-T243 VanDerWaalsContact C-N 3.31Å; R241-T243 PolarHBondContact O-N 3.21Å |
| 242 | K | 94.1 | Very high | 96 | Very high | 209 Ų | 209 | 99.6 Ų | 99.6 | 91% | 0.909 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -31.4 | -177.3 | -168.4 | 174.8 | -179.3 | -177.6 | 0 | 112.5 | N240 | N240-K242 PolarHBondContact O-N 3.48Å; N240-K242 VanDerWaalsContact O-N 3.15Å |
| 243 | T | 95.5 | Very high | 96.1 | Very high | 123 Ų | 123 | 98 Ų | 98 | 76% | 0.755 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | -26.5 | -174.1 | -46.2 | 0 | 0 | 0 | 0 | 112.3 | N240 R241 | N240-T243 PolarHBondContact O-N 3.43Å; N240-T243 VanDerWaalsContact O-N 3.12Å; R241-T243 VanDerWaalsContact C-N 3.31Å; R241-T243 PolarHBondContact O-N 3.21Å |
| 244 | G | 93.6 | Very high | 96 | Very high | 29 Ų | 29 | 95.5 Ų | 95.5 | 30% | 0.299 | 46% | 0.457 | S | S | . | . | | | trans | -97.2 | 122.2 | -176 | 0 | 0 | 0 | 0 | 0 | 112.8 | N240 Q246 | N240-G244 PolarHBondContact O-N 3.33Å; G244-Q246 PolarHBondContact O-N 3.35Å |
| 245 | H | 94 | Very high | 95.7 | Very high | 189 Ų | 189 | 92 Ų | 92 | 88% | 0.875 | 44% | 0.44 | S | S | * | . | | | trans | -78.8 | 25.6 | 171.6 | -62.2 | 153.7 | 0 | 0 | 0 | 113.9 | | |
| 246 | Q | 95.1 | Very high | 95.4 | Very high | 126 Ų | 126 | 93.4 Ų | 93.4 | 59% | 0.589 | 45% | 0.447 | S | S | * | . | | | trans | -96.3 | 134.4 | -177.3 | -62.8 | -66.9 | 76.4 | 0 | 0 | 110.6 | G244 | G244-Q246 PolarHBondContact O-N 3.35Š|
| 247 | I | 94.5 | Very high | 95 | Very high | 81 Ų | 81 | 97.6 Ų | 97.6 | 42% | 0.415 | 46% | 0.455 | S | S | . | . | | | trans | -64.6 | 148.9 | 170.5 | -170 | 166.6 | 0 | 0 | 0 | 110.4 | K249 R251 K252 | I247-K249 PolarHBondContact O-N 3.02Å; I247-R251 HydrophobicContact CD1-CB 4.03Å; I247-R251 WeakPolarHBondContact CD1-O 3.37Å; I247-R251 HydrophobicContact CG1-CB 3.98Å; I247-K252 HydrophobicContact CG2-CB 4.04Å; I247-K252 HydrophobicContact CG2-CD 3.39Å; I247-K252 HydrophobicContact CG2-CG 4.32Å |
| 248 | C | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 103.4 Ų | 103.4 | 0% | 0 | 48% | 0.476 | C | S | . | . | | | trans | -45.8 | 135.7 | 172.3 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | C232 C238 F250 R251 K252 | C232-C248 PolarHBondContact SG-SG 3.36Å; C238-C248 PolarHBondContact SG-SG 3.16Å; C248-F250 PolarHBondContact O-N 3.08Å; C248-R251 HydrophobicContact CB-CB 4.06Å; C248-R251 HydrophobicContact CB-CG 3.94Å; C248-R251 CarbonylContact O-C 3.54Å; C248-R251 WeakPolarHBondContact O-CA 3.4Å; C248-R251 PolarHBondContact O-N 3.05Å; C248-K252 PolarHBondContact O-N 3.46Å; C248-K252 VanDerWaalsContact O-N 3.11Å |
| 249 | K | 96.3 | Very high | 93.3 | Very high | 151 Ų | 151 | 112.1 Ų | 112.1 | 66% | 0.657 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -53.9 | -39.5 | -178.7 | -170.6 | 177 | -179.9 | -176.8 | 0 | 112.2 | C235 I247 R251 | C235-K249 HydrophobicContact CB-CB 3.93Å; C235-K249 PolarHBondContact SG-N 2.89Å; C235-K249 VanDerWaalsContact SG-N 3.42Å; I247-K249 PolarHBondContact O-N 3.02Å; K249-R251 VanDerWaalsContact C-N 3.29Å; K249-R251 PolarHBondContact O-N 2.78Å |
| 250 | F | 96.9 | Very high | 92 | Very high | 110 Ų | 110 | 106.1 Ų | 106.1 | 48% | 0.482 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -82.5 | -1 | 179.5 | -60.3 | -81.9 | 0 | 0 | 0 | 114.6 | P225 R228 C232 C235 C248 | P225-F250 WeakPolarHBondContact CA-O 3.38Å; P225-F250 WeakPolarHBondContact CB-O 3.49Å; R228-F250 WeakPolarHBondContact CD-O 3.45Å; R228-F250 PolarHBondContact NH1-O 2.95Å; C232-F250 HydrophobicContact CB-CD2 3.58Å; C232-F250 HydrophobicContact CB-CE2 4.13Å; C232-F250 HydrophobicContact CB-CG 4.39Å; C232-F250 WeakPolarHBondContact SG-CD2 3.27Å; C235-F250 HydrophobicContact CB-CD2 4.49Å; C235-F250 HydrophobicContact CB-CE2 4.23Å; C248-F250 PolarHBondContact O-N 3.08Å |
| 251 | R | 97.1 | Very high | 90 | Very high | 62 Ų | 62 | 106.9 Ų | 106.9 | 23% | 0.234 | 52% | 0.515 | C | S | . | . | G | 310 helix | trans | -115.6 | -0.1 | 175.4 | -58.8 | -178.8 | 72.8 | -163.9 | 0.8 | 113.2 | P225 R228 R229 I230 N231 I247 C248 K249 C253 | P225-R251 WeakPolarHBondContact O-CA 3.15Å; R228-R251 HydrophobicContact CB-CG 4.08Å; R228-R251 PolarHBondContact O-NE 3.45Å; R228-R251 PolarHBondContact O-NH2 3.24Å; R228-R251 VanDerWaalsContact O-NH2 3.14Å; R229-R251 VanDerWaalsContact O-CZ 3.22Å; R229-R251 PolarHBondContact O-NH1 3.43Å; R229-R251 PolarHBondContact O-NH2 3.1Å; I230-R251 VanDerWaalsContact O-CD 3.29Å; I230-R251 WeakPolarHBondContact O-CD 3.45Å; N231-R251 VanDerWaalsContact OD1-CD 3.29Å; N231-R251 WeakPolarHBondContact OD1-CD 3.47Å; N231-R251 PolarHBondContact OD1-NH1 3.28Å; I247-R251 HydrophobicContact CD1-CB 4.03Å; I247-R251 WeakPolarHBondContact CD1-O 3.37Å; I247-R251 HydrophobicContact CG1-CB 3.98Å; C248-R251 HydrophobicContact CB-CB 4.06Å; C248-R251 HydrophobicContact CB-CG 3.94Å; C248-R251 CarbonylContact O-C 3.54Å; C248-R251 WeakPolarHBondContact O-CA 3.4Å; C248-R251 PolarHBondContact O-N 3.05Å; K249-R251 VanDerWaalsContact C-N 3.29Å; K249-R251 PolarHBondContact O-N 2.78Å; R251-C253 PolarHBondContact O-N 3.32Å |
| 252 | K | 96.1 | Very high | 88.1 | Confident | 85 Ų | 85 | 105.7 Ų | 105.7 | 37% | 0.37 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -68 | 119.3 | 175.8 | -173.5 | 76.2 | 176.5 | -151.1 | 0 | 108.7 | P225 I247 C248 E254 | P225-K252 WeakPolarHBondContact CB-O 3.02Å; P225-K252 VanDerWaalsContact CG-O 3.26Å; P225-K252 WeakPolarHBondContact CG-O 3.46Å; I247-K252 HydrophobicContact CG2-CB 4.04Å; I247-K252 HydrophobicContact CG2-CD 3.39Å; I247-K252 HydrophobicContact CG2-CG 4.32Å; C248-K252 PolarHBondContact O-N 3.46Å; C248-K252 VanDerWaalsContact O-N 3.11Å; K252-E254 PolarHBondContact O-N 3.17Å |
| 253 | C | 96.8 | Very high | 86 | Confident | 3 Ų | 3 | 100.4 Ų | 100.4 | 2% | 0.02 | 52% | 0.523 | C | S | . | . | | | trans | -55.4 | 137 | 177 | -174.5 | 0 | 0 | 0 | 0 | 110.8 | R219 C220 C226 R251 E255 L256 K257 | R219-C253 HydrophobicContact CB-CB 4.25Å; C220-C253 PolarHBondContact N-SG 3.2Å; C226-C253 VanDerWaalsContact SG-CB 3.58Å; R251-C253 PolarHBondContact O-N 3.32Å; C253-E255 PolarHBondContact O-N 3.12Å; C253-L256 HydrophobicContact CB-CB 3.92Å; C253-L256 HydrophobicContact CB-CD1 3.69Å; C253-L256 HydrophobicContact CB-CG 3.88Å; C253-L256 PolarHBondContact O-N 3.26Å; C253-K257 PolarHBondContact O-N 3.33Å |
| 254 | E | 95.3 | Very high | 83.9 | Confident | 100 Ų | 100 | 101.3 Ų | 101.3 | 47% | 0.467 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | -179.4 | -72.5 | 166.1 | -165.7 | 0 | 0 | 111.6 | C223 P225 K252 L256 K257 K258 | C223-E254 HydrophobicContact CB-CB 4.38Å; C223-E254 HydrophobicContact CB-CG 4.33Å; P225-E254 VanDerWaalsContact CD-OE1 3.3Å; P225-E254 WeakPolarHBondContact CD-OE1 3.28Å; P225-E254 HydrophobicContact CG-CG 3.94Å; K252-E254 PolarHBondContact O-N 3.17Å; E254-L256 VanDerWaalsContact C-N 3.33Å; E254-L256 PolarHBondContact O-N 3.02Å; E254-K257 WeakPolarHBondContact O-CB 3.35Å; E254-K257 PolarHBondContact O-N 2.96Å; E254-K257 VanDerWaalsContact O-N 3.11Å; E254-K258 PolarHBondContact O-N 2.81Å |
| 255 | E | 92 | Very high | 81.6 | Confident | 110 Ų | 110 | 109.2 Ų | 109.2 | 51% | 0.514 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.9 | -34.6 | 173.7 | -69.2 | 171.6 | -149.2 | 0 | 0 | 113.6 | C220 C253 K257 K258 | C220-E255 HydrophobicContact CB-CG 4.4Å; C220-E255 WeakPolarHBondContact CB-OE1 3.29Å; C220-E255 VanDerWaalsContact CB-OE2 3.31Å; C220-E255 WeakPolarHBondContact CB-OE2 3.46Å; C253-E255 PolarHBondContact O-N 3.12Å; E255-K257 VanDerWaalsContact C-N 3.28Å; E255-K257 PolarHBondContact O-N 2.87Å; E255-K258 PolarHBondContact O-N 2.81Å |
| 256 | L | 90.4 | Very high | 79.5 | Confident | 44 Ų | 44 | 105.8 Ų | 105.8 | 23% | 0.23 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -74.1 | -21 | 175.1 | -71.2 | 170.9 | 0 | 0 | 0 | 112.7 | R217 R219 C253 E254 | R217-L256 HydrophobicContact CB-CD2 3.38Å; R219-L256 HydrophobicContact CB-CD1 4.27Å; C253-L256 HydrophobicContact CB-CB 3.92Å; C253-L256 HydrophobicContact CB-CD1 3.69Å; C253-L256 HydrophobicContact CB-CG 3.88Å; C253-L256 PolarHBondContact O-N 3.26Å; E254-L256 VanDerWaalsContact C-N 3.33Å; E254-L256 PolarHBondContact O-N 3.02Å |
| 257 | K | 87.6 | Confident | 77.3 | Confident | 172 Ų | 172 | 108.2 Ų | 108.2 | 75% | 0.748 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -75.5 | -31.3 | 176.7 | -172.9 | -176.2 | 175.2 | -169.9 | 0 | 111.1 | C253 E254 E255 K259 | C253-K257 PolarHBondContact O-N 3.33Å; E254-K257 WeakPolarHBondContact O-CB 3.35Å; E254-K257 PolarHBondContact O-N 2.96Å; E254-K257 VanDerWaalsContact O-N 3.11Å; E255-K257 VanDerWaalsContact C-N 3.28Å; E255-K257 PolarHBondContact O-N 2.87Å; K257-K259 PolarHBondContact O-N 2.96Å |
| 258 | K | 85.9 | Confident | 75.2 | Confident | 151 Ų | 151 | 112.1 Ų | 112.1 | 66% | 0.657 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -58.7 | 130.4 | 170.6 | -60.7 | 178.7 | -176.2 | 178.9 | 0 | 107.8 | R217 E254 E255 | R217-K258 PolarHBondContact NH1-O 3.24Å; E254-K258 PolarHBondContact O-N 2.81Å; E255-K258 PolarHBondContact O-N 2.81Å |
| 259 | K | 72.4 | Confident | 73 | Confident | 192 Ų | 192 | 117.4 Ų | 117.4 | 84% | 0.835 | 61% | 0.613 | S | S | * | * | | | trans | -53.2 | 138.2 | 168.8 | -66.2 | 179.7 | -178.9 | 179.5 | 0 | 106 | K257 S261 | K257-K259 PolarHBondContact O-N 2.96Å; K259-S261 PolarHBondContact O-N 3.37Å |
| 260 | P | 69.5 | Low | 70.9 | Confident | 92 Ų | 92 | 117.6 Ų | 117.6 | 60% | 0.597 | 63% | 0.627 | S | S | * | * | | | trans | -60.1 | 97.3 | 170 | 25.3 | -27.3 | 0 | 0 | 0 | 105.4 | A262 | P260-A262 PolarHBondContact O-N 3.15Š|
| 261 | S | 54.7 | Low | 68.8 | Low | 111 Ų | 111 | 116 Ų | 116 | 78% | 0.776 | 64% | 0.641 | S | S | * | * | | | trans | -60.6 | 114.6 | 170.3 | -164.2 | 0 | 0 | 0 | 0 | 103.3 | K259 A263 | K259-S261 PolarHBondContact O-N 3.37Å; S261-A263 PolarHBondContact O-N 3.49Å |
| 262 | A | 54.3 | Low | 66.4 | Low | 80 Ų | 80 | 116.8 Ų | 116.8 | 66% | 0.661 | 66% | 0.661 | S | S | * | * | | | trans | -51.4 | 110.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 105.8 | P260 L264 | P260-A262 PolarHBondContact O-N 3.15Å; A262-L264 PolarHBondContact O-N 2.65Å |
| 263 | A | 51.3 | Low | 64.3 | Low | 98 Ų | 98 | 117.2 Ų | 117.2 | 81% | 0.81 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -69.9 | 84.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | S261 | S261-A263 PolarHBondContact O-N 3.49Š|
| 264 | L | 50 | Low | 61.9 | Low | 141 Ų | 141 | 126.3 Ų | 126.3 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | | | trans | 160.1 | 71.9 | 162.8 | -91.5 | 167.7 | 0 | 0 | 0 | 107.7 | A262 V266 | A262-L264 PolarHBondContact O-N 2.65Å; L264-V266 HydrophobicContact CD2-CB 4.11Å; L264-V266 HydrophobicContact CD2-CG2 4.29Å |
| 265 | E | 45.1 | Very low | 60.5 | Low | 195 Ų | 195 | 130.7 Ų | 130.7 | 91% | 0.911 | 73% | 0.732 | S | S | * | * | | | trans | -92 | 67.6 | 142.4 | -75.3 | -145 | 168 | 0 | 0 | 107.4 | | |
| 266 | V | 51.7 | Low | 58.4 | Low | 117 Ų | 117 | 136.2 Ų | 136.2 | 71% | 0.709 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -111.1 | 102 | 150.5 | -178.5 | 0 | 0 | 0 | 0 | 104.6 | L264 | L264-V266 HydrophobicContact CD2-CB 4.11Å; L264-V266 HydrophobicContact CD2-CG2 4.29Å |
| 267 | M | 49 | Very low | 55.9 | Low | 177 Ų | 177 | 143.3 Ų | 143.3 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | | | trans | 69.4 | 81.2 | 164.5 | -148 | 171 | 88.9 | 0 | 0 | 117.2 | | |
| 268 | L | 49.6 | Very low | 53.9 | Low | 163 Ų | 163 | 147.2 Ų | 147.2 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | trans | -118.6 | 124.8 | 149 | -141.6 | 77.5 | 0 | 0 | 0 | 108.7 | T270 | L268-T270 PolarHBondContact O-N 3.17Š|
| 269 | P | 50.1 | Low | 52.3 | Low | 112 Ų | 112 | 147 Ų | 147 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | trans | -64.6 | 136.3 | -176.6 | -13 | 26.3 | 0 | 0 | 0 | 110.3 | G271 | P269-G271 PolarHBondContact O-N 3.11Š|
| 270 | T | 52.6 | Low | 51.2 | Low | 155 Ų | 155 | 144.6 Ų | 144.6 | 95% | 0.951 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -36.8 | 110.6 | 164.3 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | L268 | L268-T270 PolarHBondContact O-N 3.17Š|
| 271 | G | 54.2 | Low | 50.2 | Low | 75 Ų | 75 | 147.6 Ų | 147.6 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | | | trans | 134.7 | 61.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | P269 | P269-G271 PolarHBondContact O-N 3.11Š|
| 272 | A | 46.8 | Very low | 50 | Low | 80 Ų | 80 | 149.7 Ų | 149.7 | 66% | 0.661 | 82% | 0.818 | S | S | * | * | | | trans | -134.9 | 95.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | F274 | A272-F274 PolarHBondContact O-N 3.45Š|
| 273 | A | 51.1 | Low | 49.7 | Very low | 93 Ų | 93 | 154.1 Ų | 154.1 | 77% | 0.769 | 83% | 0.827 | S | S | * | * | | | trans | -64.6 | 115.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | R275 | A273-R275 PolarHBondContact O-N 3.39Š|
| 274 | F | 46.9 | Very low | 49.6 | Very low | 194 Ų | 194 | 157.8 Ų | 157.8 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | | | trans | -59.9 | 97 | 173.3 | -71.5 | -90.1 | 0 | 0 | 0 | 109.7 | A272 W276 | A272-F274 PolarHBondContact O-N 3.45Å; F274-W276 PolarHBondContact O-N 2.84Å |
| 275 | R | 64.8 | Low | 49.6 | Very low | 193 Ų | 193 | 159 Ų | 159 | 73% | 0.728 | 84% | 0.835 | S | S | * | * | | | trans | -82.1 | 89.3 | 170.4 | -56.8 | -147.9 | 81.9 | -104.8 | -2.4 | 108.5 | A273 | A273-R275 PolarHBondContact O-N 3.39Š|
| 276 | W | 47.7 | Very low | 49.9 | Very low | 226 Ų | 226 | 156.2 Ų | 156.2 | 86% | 0.856 | 83% | 0.829 | S | S | * | * | | | trans | -88.4 | 140.7 | 152.8 | -79.2 | 29.6 | 0 | 0 | 0 | 107 | F274 | F274-W276 PolarHBondContact O-N 2.84Š|
| 277 | F | 38 | Very low | 49.7 | Very low | 192 Ų | 192 | 159.5 Ų | 159.5 | 84% | 0.842 | 84% | 0.839 | S | S | * | * | | | trans | 94.8 | 95.2 | -168.3 | -61.6 | -76.7 | 0 | 0 | 0 | 115.2 | | |
| 278 | Q | 46.2 | Very low | 49.8 | Very low | 254 Ų | 254 | 157.9 Ų | 157.9 | 100% | 1.187 | 84% | 0.836 | S | S | * | * | | | trans | -124.2 | 0 | 146 | -170.3 | 98.9 | 87.6 | 0 | 0 | 106.4 | | |