| 1 | M | 45.9 | Very low | 52.4 | Low | 226 Ų | 226 | 167.7 Ų | 167.7 | 100% | 1.113 | 85% | 0.845 | S | S | * | * | | | | 0 | 121 | 0 | -70 | 172.5 | 72.8 | 0 | 0 | 107.3 | | |
| 2 | S | 49.7 | Very low | 51.6 | Low | 102 Ų | 102 | 159.6 Ų | 159.6 | 71% | 0.713 | 83% | 0.834 | S | S | * | * | | | trans | -78.2 | 131.6 | -173.4 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 3 | Y | 54.7 | Low | 51.6 | Low | 217 Ų | 217 | 157.2 Ų | 157.2 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | | | trans | -96 | 95.8 | 171.8 | 3.8 | -95.3 | 0 | 0 | 0 | 108.9 | | |
| 4 | F | 53.1 | Low | 51.8 | Low | 188 Ų | 188 | 158.3 Ų | 158.3 | 83% | 0.825 | 84% | 0.839 | S | S | * | * | | | trans | -79 | 120.4 | 160.1 | -95.4 | -93.8 | 0 | 0 | 0 | 108.2 | | |
| 5 | R | 49.8 | Very low | 51.6 | Low | 245 Ų | 245 | 155.8 Ų | 155.8 | 93% | 0.925 | 84% | 0.836 | S | S | * | * | | | trans | -109.8 | 102.4 | 172.1 | -150.7 | -174.2 | -161.6 | -164.8 | 6 | 108.5 | | |
| 6 | T | 66.4 | Low | 51.6 | Low | 120 Ų | 120 | 154.1 Ų | 154.1 | 74% | 0.736 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 142.1 | 171.4 | -32.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 7 | P | 54.4 | Low | 51.2 | Low | 115 Ų | 115 | 149.6 Ų | 149.6 | 75% | 0.747 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 129.9 | 173.7 | 27.1 | -30.4 | 0 | 0 | 0 | 111 | | |
| 8 | Q | 49.1 | Very low | 51.1 | Low | 189 Ų | 189 | 152.2 Ų | 152.2 | 88% | 0.883 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 130.6 | 170.1 | -84.2 | -168 | -3 | 0 | 0 | 110.2 | | |
| 9 | T | 49.3 | Very low | 50.4 | Low | 136 Ų | 136 | 148.3 Ų | 148.3 | 83% | 0.834 | 84% | 0.84 | S | S | * | * | | | trans | -107.4 | 131.6 | 165.8 | -39.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 10 | H | 52.2 | Low | 49.8 | Very low | 177 Ų | 177 | 144.5 Ų | 144.5 | 82% | 0.819 | 84% | 0.835 | S | S | * | * | | | trans | -62.5 | 150.3 | -172.1 | -67.5 | -92.1 | 0 | 0 | 0 | 114.4 | | |
| 11 | P | 52.3 | Low | 49.5 | Very low | 130 Ų | 130 | 144.6 Ų | 144.6 | 84% | 0.844 | 84% | 0.838 | S | S | * | * | | | trans | -91 | 138.6 | 171.1 | 34 | -28.5 | 0 | 0 | 0 | 111.8 | | |
| 12 | G | 42.2 | Very low | 49.2 | Very low | 70 Ų | 70 | 138.4 Ų | 138.4 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | | | trans | -149.3 | 145.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 13 | P | 52.3 | Low | 48.8 | Very low | 129 Ų | 129 | 139.1 Ų | 139.1 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | | | trans | -93.7 | 152.5 | -142.9 | 35.1 | -34.8 | 0 | 0 | 0 | 116.1 | | |
| 14 | L | 53.4 | Low | 48.6 | Very low | 172 Ų | 172 | 134.6 Ų | 134.6 | 90% | 0.901 | 83% | 0.825 | S | S | * | * | | | trans | -69.2 | 147.7 | 168.5 | -67.4 | 164.6 | 0 | 0 | 0 | 111.9 | | |
| 15 | P | 49.5 | Very low | 47.9 | Very low | 121 Ų | 121 | 128.8 Ų | 128.8 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | | | trans | -113.5 | 133.6 | 147.8 | 32.6 | -23.2 | 0 | 0 | 0 | 112.5 | | |
| 16 | S | 51.8 | Low | 47.3 | Very low | 128 Ų | 128 | 124.7 Ų | 124.7 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | | | trans | -69.9 | 142.7 | 167.4 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 17 | G | 44 | Very low | 46.6 | Very low | 78 Ų | 78 | 125.2 Ų | 125.2 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | | | trans | -173.2 | 128.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 18 | Q | 49.5 | Very low | 46.2 | Very low | 196 Ų | 196 | 126.2 Ų | 126.2 | 92% | 0.916 | 82% | 0.821 | S | S | * | * | | | trans | -111.3 | 140.6 | -158.7 | 171.5 | 162.4 | 4.6 | 0 | 0 | 112.7 | | |
| 19 | G | 37.5 | Very low | 45.9 | Very low | 79 Ų | 79 | 121 Ų | 121 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | | | trans | 97.7 | 138.3 | 145.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 20 | G | 38.3 | Very low | 45.6 | Very low | 72 Ų | 72 | 121 Ų | 121 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | | | trans | 115.2 | 90.7 | 142.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 21 | T | 43.5 | Very low | 44.8 | Very low | 146 Ų | 146 | 118.9 Ų | 118.9 | 90% | 0.896 | 82% | 0.816 | S | S | * | * | | | trans | 23.9 | 133.5 | 136.4 | 52.3 | 0 | 0 | 0 | 0 | 123.8 | | |
| 22 | A | 39.6 | Very low | 44.5 | Very low | 97 Ų | 97 | 117.7 Ų | 117.7 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | | | trans | 92 | 106.1 | 143.2 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 23 | S | 41.7 | Very low | 45 | Very low | 116 Ų | 116 | 120.1 Ų | 120.1 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | | | | 31.7 | 169 | 122.1 | -129.3 | 0 | 0 | 0 | 0 | 122.6 | | |
| 24 | P | 51.7 | Low | 44.6 | Very low | 122 Ų | 122 | 121.8 Ų | 121.8 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | | | | -130 | 175.4 | -58 | 35.2 | -17 | 0 | 0 | 0 | 112.7 | | |
| 25 | G | 38.4 | Very low | 44.2 | Very low | 66 Ų | 66 | 120.8 Ų | 120.8 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | | | trans | 151.9 | 97.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 26 | L | 36.5 | Very low | 44.4 | Very low | 160 Ų | 160 | 120.7 Ų | 120.7 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | | | | 57.1 | 101.4 | 88.9 | -71.3 | 168.8 | 0 | 0 | 0 | 114 | | |
| 27 | S | 50.9 | Low | 44.1 | Very low | 130 Ų | 130 | 119.2 Ų | 119.2 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | | | trans | -116.5 | 108.8 | 147.9 | -77.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 28 | L | 46.2 | Very low | 44.4 | Very low | 136 Ų | 136 | 122 Ų | 122 | 71% | 0.712 | 79% | 0.79 | S | S | * | * | | | trans | -66.1 | 135.1 | 172 | -81 | 125.1 | 0 | 0 | 0 | 110.7 | L30 | L28-L30 HydrophobicContact CD2-CD1 3.5Å; L28-L30 HydrophobicContact CD2-CG 3.81Å |
| 29 | G | 42.9 | Very low | 44.1 | Very low | 80 Ų | 80 | 120.7 Ų | 120.7 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | | | trans | -148.9 | 79.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 30 | L | 43.1 | Very low | 44.2 | Very low | 135 Ų | 135 | 120.9 Ų | 120.9 | 71% | 0.707 | 78% | 0.781 | S | S | * | * | | | trans | -76 | 135.8 | -177.4 | -70.7 | 162.8 | 0 | 0 | 0 | 111.5 | L28 | L28-L30 HydrophobicContact CD2-CD1 3.5Å; L28-L30 HydrophobicContact CD2-CG 3.81Å |
| 31 | C | 36.5 | Very low | 44.3 | Very low | 133 Ų | 133 | 123.2 Ų | 123.2 | 90% | 0.899 | 79% | 0.785 | S | S | * | * | | | | -167 | 101.8 | 123.3 | -116.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 32 | S | 45.1 | Very low | 44.2 | Very low | 106 Ų | 106 | 120.1 Ų | 120.1 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | | | trans | -86.3 | 162.5 | 168.8 | -47.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 33 | P | 52.3 | Low | 44.3 | Very low | 120 Ų | 120 | 119.3 Ų | 119.3 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | | | | -149.2 | 160.3 | 110.1 | 36 | -18.5 | 0 | 0 | 0 | 111.3 | | |
| 34 | I | 43.4 | Very low | 44.4 | Very low | 165 Ų | 165 | 121.4 Ų | 121.4 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | | | cis | -164.2 | 142.2 | 10.3 | -171.9 | 105.6 | 0 | 0 | 0 | 104.6 | | |
| 35 | E | 47 | Very low | 44.1 | Very low | 151 Ų | 151 | 118.9 Ų | 118.9 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | | | trans | -93.9 | 164.3 | 168.8 | -139.6 | -159.3 | -146.5 | 0 | 0 | 109.7 | V37 | E35-V37 VanDerWaalsContact OE2-CG2 3.31Å; E35-V37 WeakPolarHBondContact OE2-CG2 3.48Å; E35-V37 PolarHBondContact OE2-N 3.41Å |
| 36 | P | 52.4 | Low | 45 | Very low | 118 Ų | 118 | 121.8 Ų | 121.8 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | | | | -144.8 | 115.2 | 119 | 32 | -14.2 | 0 | 0 | 0 | 115 | | |
| 37 | V | 46.1 | Very low | 45.1 | Very low | 98 Ų | 98 | 122.3 Ų | 122.3 | 59% | 0.594 | 80% | 0.797 | S | S | * | * | | | | 29.6 | 119.4 | 115.3 | -178 | 0 | 0 | 0 | 0 | 118.8 | E35 | E35-V37 VanDerWaalsContact OE2-CG2 3.31Å; E35-V37 WeakPolarHBondContact OE2-CG2 3.48Å; E35-V37 PolarHBondContact OE2-N 3.41Å |
| 38 | V | 50.8 | Low | 44.8 | Very low | 136 Ų | 136 | 121 Ų | 121 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | | | trans | -150.6 | 102.8 | 131.9 | 178.3 | 0 | 0 | 0 | 0 | 107.2 | | |
| 39 | M | 42.4 | Very low | 44.7 | Very low | 168 Ų | 168 | 123.5 Ų | 123.5 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | | | | 40.1 | 135.5 | 108.1 | -71.6 | -105.6 | -99.2 | 0 | 0 | 115.5 | | |
| 40 | A | 40.5 | Very low | 44.6 | Very low | 84 Ų | 84 | 127.7 Ų | 127.7 | 69% | 0.694 | 79% | 0.792 | S | S | * | * | | | cis | -172.9 | 164.6 | -0.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 41 | S | 39.4 | Very low | 44.3 | Very low | 121 Ų | 121 | 125.9 Ų | 125.9 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | | | trans | 70.1 | 106.3 | 137.1 | -167.4 | 0 | 0 | 0 | 0 | 121.5 | | |
| 42 | G | 42.3 | Very low | 44.6 | Very low | 81 Ų | 81 | 126.2 Ų | 126.2 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | | | | 78.7 | 128.5 | 113.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 43 | G | 41.3 | Very low | 44.3 | Very low | 80 Ų | 80 | 129.9 Ų | 129.9 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | trans | 138.2 | 116 | 155.8 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 44 | T | 43.8 | Very low | 43.5 | Very low | 160 Ų | 160 | 130.4 Ų | 130.4 | 98% | 0.982 | 79% | 0.791 | S | S | * | * | | | trans | -62.4 | 134.4 | 173.9 | -24.9 | 0 | 0 | 0 | 0 | 112 | | |
| 45 | G | 43.9 | Very low | 43.3 | Very low | 69 Ų | 69 | 126.1 Ų | 126.1 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | | | trans | 176.9 | 133.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 46 | P | 57.3 | Low | 42.8 | Very low | 127 Ų | 127 | 124.9 Ų | 124.9 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | trans | -100.8 | 124.8 | 179 | 34.9 | -24.9 | 0 | 0 | 0 | 111.3 | | |
| 47 | L | 38.9 | Very low | 42.2 | Very low | 170 Ų | 170 | 123.7 Ų | 123.7 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | | | trans | -166.1 | 122.5 | 155.3 | -142 | 72.8 | 0 | 0 | 0 | 112.4 | | |
| 48 | S | 45.6 | Very low | 41.9 | Very low | 102 Ų | 102 | 123.6 Ų | 123.6 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | | | trans | 23.8 | 114.4 | 140.8 | -166.5 | 0 | 0 | 0 | 0 | 118.2 | | |
| 49 | Q | 44.3 | Very low | 41.7 | Very low | 189 Ų | 189 | 125 Ų | 125 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | -166.4 | 109 | 137 | -107 | 162.5 | 45.9 | 0 | 0 | 111.5 | A51 | Q49-A51 PolarHBondContact O-N 3.13Š|
| 50 | K | 39.6 | Very low | 41.7 | Very low | 168 Ų | 168 | 121.8 Ų | 121.8 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | | | trans | 25.7 | 98.2 | 135.5 | -161.9 | -175.9 | 179.7 | -142.5 | 0 | 115.1 | E52 | K50-E52 VanDerWaalsContact C-N 3.3Å; K50-E52 IonicContact NZ-OE2 2.69Å; K50-E52 PolarHBondContact NZ-OE2 3.23Å; K50-E52 VanDerWaalsContact NZ-OE2 3.1Å; K50-E52 PolarHBondContact O-N 3.25Å |
| 51 | A | 38.1 | Very low | 41.4 | Very low | 98 Ų | 98 | 129.2 Ų | 129.2 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | | | trans | -66.4 | 90.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q49 Q53 | Q49-A51 PolarHBondContact O-N 3.13Å; A51-Q53 VanDerWaalsContact C-N 3.31Å; A51-Q53 PolarHBondContact O-N 3.46Å |
| 52 | E | 41.9 | Very low | 41.5 | Very low | 140 Ų | 140 | 126.8 Ų | 126.8 | 65% | 0.654 | 80% | 0.796 | S | S | * | * | | | trans | -80.3 | 87.6 | 159.9 | -160.4 | 159.5 | 106.3 | 0 | 0 | 106.5 | K50 V54 | K50-E52 VanDerWaalsContact C-N 3.3Å; K50-E52 IonicContact NZ-OE2 2.69Å; K50-E52 PolarHBondContact NZ-OE2 3.23Å; K50-E52 VanDerWaalsContact NZ-OE2 3.1Å; K50-E52 PolarHBondContact O-N 3.25Å; E52-V54 PolarHBondContact O-N 3.08Å; E52-V54 VanDerWaalsContact O-N 3.14Å |
| 53 | Q | 38.9 | Very low | 41.7 | Very low | 182 Ų | 182 | 128.6 Ų | 128.6 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | | | trans | -68.2 | 106.6 | 166.2 | -85.6 | -166 | 12 | 0 | 0 | 108.1 | A51 A55 | A51-Q53 VanDerWaalsContact C-N 3.31Å; A51-Q53 PolarHBondContact O-N 3.46Å; Q53-A55 PolarHBondContact O-N 3.27Å |
| 54 | V | 36.5 | Very low | 42.1 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | | | trans | -71.3 | 98.7 | 160.1 | 176.1 | 0 | 0 | 0 | 0 | 107.1 | E52 | E52-V54 PolarHBondContact O-N 3.08Å; E52-V54 VanDerWaalsContact O-N 3.14Å |
| 55 | A | 39.3 | Very low | 42.1 | Very low | 75 Ų | 75 | 130.1 Ų | 130.1 | 62% | 0.62 | 79% | 0.791 | S | S | * | * | | | trans | -74.4 | 143.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109 | Q53 A57 | Q53-A55 PolarHBondContact O-N 3.27Å; A55-A57 PolarHBondContact O-N 3.06Å |
| 56 | P | 36.5 | Very low | 42.1 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | trans | -66.3 | 129.8 | 178 | 26.6 | -30.4 | 0 | 0 | 0 | 109.7 | A58 | P56-A58 PolarHBondContact O-N 3.31Š|
| 57 | A | 38 | Very low | 41.3 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | | | trans | -55.7 | 100.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A55 Q59 | A55-A57 PolarHBondContact O-N 3.06Å; A57-Q59 PolarHBondContact O-N 2.94Å |
| 58 | A | 40.4 | Very low | 41.5 | Very low | 97 Ų | 97 | 130.9 Ų | 130.9 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | | | trans | -71.4 | 115.2 | 155.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | P56 A60 | P56-A58 PolarHBondContact O-N 3.31Å; A58-A60 PolarHBondContact O-N 2.78Å; A58-A60 VanDerWaalsContact O-N 3.15Å |
| 59 | Q | 47.6 | Very low | 41.4 | Very low | 165 Ų | 165 | 134.5 Ų | 134.5 | 77% | 0.771 | 79% | 0.794 | S | S | * | * | | | trans | -63 | 115.9 | -168.5 | -54.8 | -172.6 | 23.1 | 0 | 0 | 110.3 | A57 W61 | A57-Q59 PolarHBondContact O-N 2.94Å; Q59-W61 PolarHBondContact O-N 2.9Å |
| 60 | A | 41.9 | Very low | 41.6 | Very low | 100 Ų | 100 | 130.2 Ų | 130.2 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | | | trans | -65.2 | 116.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110 | A58 | A58-A60 PolarHBondContact O-N 2.78Å; A58-A60 VanDerWaalsContact O-N 3.15Å |
| 61 | W | 34.6 | Very low | 41.9 | Very low | 241 Ų | 241 | 133.7 Ų | 133.7 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | | | trans | -109.5 | 104.2 | 161.4 | -78.2 | 75.8 | 0 | 0 | 0 | 108.3 | Q59 | Q59-W61 PolarHBondContact O-N 2.9Š|
| 62 | G | 41.6 | Very low | 42.1 | Very low | 69 Ų | 69 | 132.4 Ų | 132.4 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 110.7 | 145 | 156.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 63 | P | 45.5 | Very low | 41.9 | Very low | 119 Ų | 119 | 132 Ų | 132 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | | | trans | -84.6 | 141.2 | -154.8 | 33.1 | -33.4 | 0 | 0 | 0 | 114.2 | L65 | P63-L65 PolarHBondContact O-N 3.17Å; P63-L65 VanDerWaalsContact O-N 3.15Å |
| 64 | A | 49 | Very low | 42.4 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | | | trans | -60.3 | 109.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 65 | L | 44 | Very low | 43.1 | Very low | 164 Ų | 164 | 126.5 Ų | 126.5 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | | | trans | -116.3 | 124.4 | 161.3 | -92 | 167.6 | 0 | 0 | 0 | 109 | P63 | P63-L65 PolarHBondContact O-N 3.17Å; P63-L65 VanDerWaalsContact O-N 3.15Å |
| 66 | A | 45.6 | Very low | 43.4 | Very low | 91 Ų | 91 | 126.6 Ų | 126.6 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | | | trans | -55.3 | 139.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P68 | A66-P68 VanDerWaalsContact O-CD 3.23Å; A66-P68 WeakPolarHBondContact O-CD 3.39Å |
| 67 | M | 40.4 | Very low | 44 | Very low | 170 Ų | 170 | 127 Ų | 127 | 84% | 0.837 | 81% | 0.812 | S | S | * | * | | | trans | -53.5 | 119.8 | 162.9 | -84.9 | -74.9 | -65.3 | 0 | 0 | 111.1 | Q69 | M67-Q69 PolarHBondContact O-N 3.27Å; M67-Q69 VanDerWaalsContact O-N 3.15Å |
| 68 | P | 41.9 | Very low | 44.9 | Very low | 122 Ų | 122 | 125 Ų | 125 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | | | trans | -77.4 | 101.4 | 160 | -7.2 | 26.1 | 0 | 0 | 0 | 107.7 | A66 | A66-P68 VanDerWaalsContact O-CD 3.23Å; A66-P68 WeakPolarHBondContact O-CD 3.39Å |
| 69 | Q | 42.9 | Very low | 44.9 | Very low | 178 Ų | 178 | 130 Ų | 130 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -52.8 | 138.2 | 168.1 | -168.8 | 176.3 | 73.8 | 0 | 0 | 110.5 | M67 R71 | M67-Q69 PolarHBondContact O-N 3.27Å; M67-Q69 VanDerWaalsContact O-N 3.15Å; Q69-R71 PolarHBondContact O-N 3.32Å |
| 70 | A | 50.3 | Low | 45.1 | Very low | 98 Ų | 98 | 127.7 Ų | 127.7 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | | | trans | -39.8 | 121 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 71 | R | 44.5 | Very low | 45.7 | Very low | 242 Ų | 242 | 127.2 Ų | 127.2 | 91% | 0.913 | 77% | 0.766 | S | S | * | * | | | trans | -148 | 104.9 | 158.2 | -151.9 | -179.2 | -83.8 | -165.7 | -2.8 | 111 | Q69 | Q69-R71 PolarHBondContact O-N 3.32Š|
| 72 | G | 42.4 | Very low | 46.4 | Very low | 70 Ų | 70 | 120.9 Ų | 120.9 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | | | trans | 68.6 | 97.1 | 153.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | P74 | G72-P74 WeakPolarHBondContact O-CD 3.29Š|
| 73 | C | 38.7 | Very low | 47 | Very low | 133 Ų | 133 | 125.6 Ų | 125.6 | 90% | 0.899 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -73 | 121.9 | 158.3 | -66.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 74 | P | 49.2 | Very low | 47.5 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 140.3 | 159.2 | 26.8 | -18.1 | 0 | 0 | 0 | 109.3 | G72 | G72-P74 WeakPolarHBondContact O-CD 3.29Š|
| 75 | G | 50.7 | Low | 47.7 | Very low | 74 Ų | 74 | 128.7 Ų | 128.7 | 76% | 0.763 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 136.6 | -163.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | T77 | G75-T77 PolarHBondContact O-N 3Š|
| 76 | G | 45.2 | Very low | 48.1 | Very low | 76 Ų | 76 | 129.1 Ų | 129.1 | 78% | 0.784 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 121.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S78 | G76-S78 PolarHBondContact O-N 3.35Š|
| 77 | T | 49.6 | Very low | 48.7 | Very low | 135 Ų | 135 | 127.7 Ų | 127.7 | 83% | 0.828 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 118.1 | 160 | -54 | 0 | 0 | 0 | 0 | 106.4 | G75 | G75-T77 PolarHBondContact O-N 3Š|
| 78 | S | 56.4 | Low | 49.3 | Very low | 50 Ų | 50 | 128.6 Ų | 128.6 | 35% | 0.35 | 70% | 0.699 | S | S | . | * | P | Polyproline II helix | trans | -71.6 | 142.8 | -158.4 | 78.5 | 0 | 0 | 0 | 0 | 113.1 | G76 E80 T81 | G76-S78 PolarHBondContact O-N 3.35Å; S78-E80 WeakPolarHBondContact CB-OE2 3.48Å; S78-E80 PolarHBondContact O-N 3.17Å; S78-E80 PolarHBondContact OG-OE2 3.47Å; S78-T81 PolarHBondContact O-N 3.04Å |
| 79 | W | 41.4 | Very low | 49.8 | Very low | 201 Ų | 201 | 127.8 Ų | 127.8 | 76% | 0.761 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -1.4 | 175.1 | -70.6 | 113.7 | 0 | 0 | 0 | 114.4 | L82 | W79-L82 HydrophobicContact CE3-CD2 3.9Å; W79-L82 HydrophobicContact CZ3-CD2 3.76Å |
| 80 | E | 52.1 | Low | 50.3 | Low | 117 Ų | 117 | 122.5 Ų | 122.5 | 55% | 0.547 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -72.5 | -31.5 | 173.5 | -70.5 | 97.9 | -137.1 | 0 | 0 | 113.2 | S78 K84 | S78-E80 WeakPolarHBondContact CB-OE2 3.48Å; S78-E80 PolarHBondContact O-N 3.17Å; S78-E80 PolarHBondContact OG-OE2 3.47Å; E80-K84 PolarHBondContact O-N 3.49Å |
| 81 | T | 54.3 | Low | 50.3 | Low | 90 Ų | 90 | 124.8 Ų | 124.8 | 55% | 0.552 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -69.8 | -40.7 | -176.5 | -41.2 | 0 | 0 | 0 | 0 | 111.3 | S78 R83 K84 E85 | S78-T81 PolarHBondContact O-N 3.04Å; T81-R83 PolarHBondContact O-N 3.38Å; T81-K84 PolarHBondContact O-N 3.21Å; T81-E85 PolarHBondContact O-N 3.19Å |
| 82 | L | 49.3 | Very low | 50.6 | Low | 108 Ų | 108 | 122 Ų | 122 | 57% | 0.565 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -63.4 | -39 | 178.8 | -169.2 | 78.4 | 0 | 0 | 0 | 112.6 | W79 K84 E85 Y86 | W79-L82 HydrophobicContact CE3-CD2 3.9Å; W79-L82 HydrophobicContact CZ3-CD2 3.76Å; L82-K84 VanDerWaalsContact C-N 3.33Å; L82-K84 PolarHBondContact O-N 3.25Å; L82-E85 PolarHBondContact O-N 3.48Å; L82-Y86 PolarHBondContact O-N 3.36Å; L82-Y86 VanDerWaalsContact O-N 3.12Å |
| 83 | R | 54.4 | Low | 50.7 | Low | 168 Ų | 168 | 126.4 Ų | 126.4 | 63% | 0.634 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -67.4 | -34.2 | 178.4 | -73.8 | -167.3 | -79.5 | 174.2 | -4.5 | 112.7 | T81 E85 S87 | T81-R83 PolarHBondContact O-N 3.38Å; R83-E85 VanDerWaalsContact C-N 3.34Å; R83-S87 PolarHBondContact O-N 2.96Å; R83-S87 PolarHBondContact O-OG 2.86Å |
| 84 | K | 55.1 | Low | 51 | Low | 168 Ų | 168 | 125.1 Ų | 125.1 | 73% | 0.73 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -73.2 | -29.4 | -179.6 | -142.3 | 171.9 | -174.3 | 176.2 | 0 | 112.2 | E80 T81 L82 S87 R88 | E80-K84 PolarHBondContact O-N 3.49Å; T81-K84 PolarHBondContact O-N 3.21Å; L82-K84 VanDerWaalsContact C-N 3.33Å; L82-K84 PolarHBondContact O-N 3.25Å; K84-S87 WeakPolarHBondContact CA-OG 3.38Å; K84-S87 PolarHBondContact O-OG 2.97Å; K84-S87 VanDerWaalsContact O-OG 3.08Å; K84-R88 PolarHBondContact O-N 2.82Å |
| 85 | E | 53.3 | Low | 51.2 | Low | 125 Ų | 125 | 128.7 Ų | 128.7 | 58% | 0.584 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -80.1 | -39 | 177.1 | -167.6 | 155.9 | -155.9 | 0 | 0 | 112.4 | T81 L82 R83 R88 N89 | T81-E85 PolarHBondContact O-N 3.19Å; L82-E85 PolarHBondContact O-N 3.48Å; R83-E85 VanDerWaalsContact C-N 3.34Å; E85-R88 PolarHBondContact O-N 3.02Å; E85-N89 PolarHBondContact O-N 3.39Å; E85-N89 PolarHBondContact O-ND2 3.48Å |
| 86 | Y | 51.5 | Low | 50.9 | Low | 173 Ų | 173 | 131.3 Ų | 131.3 | 68% | 0.678 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -61.2 | -47.8 | 173.1 | -175.7 | -99.5 | 0 | 0 | 0 | 112 | L82 R88 N89 C90 | L82-Y86 PolarHBondContact O-N 3.36Å; L82-Y86 VanDerWaalsContact O-N 3.12Å; Y86-R88 VanDerWaalsContact C-N 3.25Å; Y86-R88 PolarHBondContact O-N 3.44Å; Y86-N89 PolarHBondContact O-N 3.33Å; Y86-N89 VanDerWaalsContact O-N 3.13Å; Y86-C90 PolarHBondContact O-SG 3.44Å |
| 87 | S | 58.8 | Low | 51 | Low | 60 Ų | 60 | 138.3 Ų | 138.3 | 42% | 0.42 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -61.5 | -33.3 | 178 | 48.7 | 0 | 0 | 0 | 0 | 112.6 | R83 K84 N89 C90 H91 | R83-S87 PolarHBondContact O-N 2.96Å; R83-S87 PolarHBondContact O-OG 2.86Å; K84-S87 WeakPolarHBondContact CA-OG 3.38Å; K84-S87 PolarHBondContact O-OG 2.97Å; K84-S87 VanDerWaalsContact O-OG 3.08Å; S87-N89 VanDerWaalsContact C-N 3.29Å; S87-N89 PolarHBondContact O-N 3.32Å; S87-C90 PolarHBondContact O-N 3.43Å; S87-H91 PolarHBondContact O-CE1 3.42Å; S87-H91 PolarHBondContact O-ND1 3.38Å |
| 88 | R | 52.8 | Low | 50.9 | Low | 189 Ų | 189 | 139.9 Ų | 139.9 | 71% | 0.713 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -64.3 | -28.6 | 176.6 | -172.7 | 173.3 | -99.4 | -159.6 | -4.1 | 113.8 | K84 E85 Y86 H91 | K84-R88 PolarHBondContact O-N 2.82Å; E85-R88 PolarHBondContact O-N 3.02Å; Y86-R88 VanDerWaalsContact C-N 3.25Å; Y86-R88 PolarHBondContact O-N 3.44Å; R88-H91 WeakPolarHBondContact CA-CE1 3.2Å; R88-H91 VanDerWaalsContact CA-NE2 3.31Å; R88-H91 WeakPolarHBondContact CA-NE2 3.24Å; R88-H91 PolarHBondContact O-CD2 2.83Å; R88-H91 PolarHBondContact O-NE2 3.16Å |
| 89 | N | 52.7 | Low | 50.4 | Low | 106 Ų | 106 | 143.1 Ų | 143.1 | 57% | 0.567 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -87.4 | -18.4 | -176.5 | -70.1 | -38.3 | 0 | 0 | 0 | 113.4 | E85 Y86 S87 H91 | E85-N89 PolarHBondContact O-N 3.39Å; E85-N89 PolarHBondContact O-ND2 3.48Å; Y86-N89 PolarHBondContact O-N 3.33Å; Y86-N89 VanDerWaalsContact O-N 3.13Å; S87-N89 VanDerWaalsContact C-N 3.29Å; S87-N89 PolarHBondContact O-N 3.32Å; N89-H91 VanDerWaalsContact C-N 3.32Å; N89-H91 PolarHBondContact O-N 3.16Å |
| 90 | C | 54.4 | Low | 50.6 | Low | 67 Ų | 67 | 140.9 Ų | 140.9 | 45% | 0.453 | 67% | 0.673 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.5 | -18.7 | -179.4 | -61.4 | 0 | 0 | 0 | 0 | 114.4 | Y86 S87 K92 | Y86-C90 PolarHBondContact O-SG 3.44Å; S87-C90 PolarHBondContact O-N 3.43Å; C90-K92 VanDerWaalsContact C-N 3.31Å |
| 91 | H | 48.5 | Very low | 50.6 | Low | 145 Ų | 145 | 140.3 Ų | 140.3 | 67% | 0.671 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 4.7 | -179.8 | 19 | -81.5 | 0 | 0 | 0 | 114.3 | S87 R88 N89 | S87-H91 PolarHBondContact O-CE1 3.42Å; S87-H91 PolarHBondContact O-ND1 3.38Å; R88-H91 WeakPolarHBondContact CA-CE1 3.2Å; R88-H91 VanDerWaalsContact CA-NE2 3.31Å; R88-H91 WeakPolarHBondContact CA-NE2 3.24Å; R88-H91 PolarHBondContact O-CD2 2.83Å; R88-H91 PolarHBondContact O-NE2 3.16Å; N89-H91 VanDerWaalsContact C-N 3.32Å; N89-H91 PolarHBondContact O-N 3.16Å |
| 92 | K | 50.9 | Low | 50 | Low | 183 Ų | 183 | 143.7 Ų | 143.7 | 80% | 0.796 | 70% | 0.696 | S | S | * | * | | | trans | -117.3 | 44.3 | -175.1 | -125.5 | -178.7 | -176.4 | -168.9 | 0 | 112.3 | C90 | C90-K92 VanDerWaalsContact C-N 3.31Š|
| 93 | F | 44.4 | Very low | 49.9 | Very low | 164 Ų | 164 | 141.8 Ų | 141.8 | 72% | 0.719 | 70% | 0.702 | S | S | * | * | | | trans | -96.5 | 120.8 | 163.8 | -73.8 | -77.9 | 0 | 0 | 0 | 109.4 | H95 | F93-H95 PolarHBondContact O-N 3.03Š|
| 94 | P | 46.8 | Very low | 49.3 | Very low | 106 Ų | 106 | 145 Ų | 145 | 69% | 0.688 | 71% | 0.714 | S | S | * | * | | | trans | -66.6 | 133.1 | 176.5 | 27.9 | -31.1 | 0 | 0 | 0 | 109.1 | V96 | P94-V96 VanDerWaalsContact C-N 3.32Å; P94-V96 PolarHBondContact O-N 3.07Å |
| 95 | H | 52.9 | Low | 48.7 | Very low | 197 Ų | 197 | 144.6 Ų | 144.6 | 91% | 0.912 | 72% | 0.72 | S | S | * | * | | | trans | -64.3 | 91.6 | 173 | -67 | 2.3 | 0 | 0 | 0 | 109.4 | F93 | F93-H95 PolarHBondContact O-N 3.03Š|
| 96 | V | 43.4 | Very low | 48.2 | Very low | 129 Ų | 129 | 145.5 Ų | 145.5 | 78% | 0.782 | 73% | 0.729 | S | S | * | * | | | trans | -86.4 | 129.8 | 170.9 | 176.3 | 0 | 0 | 0 | 0 | 108.1 | P94 | P94-V96 VanDerWaalsContact C-N 3.32Å; P94-V96 PolarHBondContact O-N 3.07Å |
| 97 | R | 47.8 | Very low | 47.7 | Very low | 224 Ų | 224 | 140.4 Ų | 140.4 | 85% | 0.845 | 73% | 0.729 | S | S | * | * | | | trans | -36 | 136.6 | -172.4 | -67.1 | 179 | -145 | -169 | 4.1 | 115.1 | | |
| 98 | Q | 47.5 | Very low | 47 | Very low | 167 Ų | 167 | 148.1 Ų | 148.1 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 136.7 | 161.3 | -81 | -155.8 | -9.1 | 0 | 0 | 110.3 | E100 | Q98-E100 PolarHBondContact O-N 2.94Š|
| 99 | P | 46.4 | Very low | 46.4 | Very low | 118 Ų | 118 | 145 Ų | 145 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 118.7 | 163 | -9.1 | 24.8 | 0 | 0 | 0 | 108.4 | S101 | P99-S101 PolarHBondContact O-N 3.1Å; P99-S101 VanDerWaalsContact O-N 3.17Å |
| 100 | E | 45.1 | Very low | 46.1 | Very low | 155 Ų | 155 | 151.9 Ų | 151.9 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -57 | 118.1 | 171.5 | -64.2 | 79.7 | -173.6 | 0 | 0 | 109.6 | Q98 L102 | Q98-E100 PolarHBondContact O-N 2.94Å; E100-L102 PolarHBondContact O-N 2.8Å |
| 101 | S | 51.3 | Low | 45.3 | Very low | 105 Ų | 105 | 154.2 Ų | 154.2 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | | | trans | -63.1 | 99 | 174.4 | -178 | 0 | 0 | 0 | 0 | 109.6 | P99 | P99-S101 PolarHBondContact O-N 3.1Å; P99-S101 VanDerWaalsContact O-N 3.17Å |
| 102 | L | 43.4 | Very low | 45 | Very low | 161 Ų | 161 | 158.5 Ų | 158.5 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | | | trans | -71.2 | 127.5 | 167.8 | -121.3 | 87.5 | 0 | 0 | 0 | 108.9 | E100 | E100-L102 PolarHBondContact O-N 2.8Š|
| 103 | G | 45.9 | Very low | 44.7 | Very low | 67 Ų | 67 | 154 Ų | 154 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | | | trans | -63.4 | 144.9 | -158 | 0 | 0 | 0 | 0 | 0 | 116.7 | D105 | G103-D105 PolarHBondContact O-N 3.48Š|
| 104 | W | 42.3 | Very low | 44.9 | Very low | 237 Ų | 237 | 152.3 Ų | 152.3 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | | | trans | -78.8 | 100.8 | 162.2 | -52.6 | -32.6 | 0 | 0 | 0 | 108.1 | N106 | W104-N106 PolarHBondContact O-N 3.28Š|
| 105 | D | 42.5 | Very low | 44.9 | Very low | 159 Ų | 159 | 154.5 Ų | 154.5 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | | | trans | -70.9 | 111 | 170.7 | -150.8 | -76.3 | 0 | 0 | 0 | 108.5 | G103 G107 | G103-D105 PolarHBondContact O-N 3.48Å; D105-G107 PolarHBondContact O-N 3.36Å |
| 106 | N | 42.2 | Very low | 44.4 | Very low | 144 Ų | 144 | 153.6 Ų | 153.6 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | | | trans | -98.2 | 85.7 | -178.7 | -134.2 | 12.9 | 0 | 0 | 0 | 108.4 | W104 Y108 | W104-N106 PolarHBondContact O-N 3.28Å; N106-Y108 PolarHBondContact O-N 3.29Å; N106-Y108 VanDerWaalsContact O-N 3.13Å |
| 107 | G | 41.8 | Very low | 43.9 | Very low | 66 Ų | 66 | 151.3 Ų | 151.3 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | | | trans | -70.2 | 100.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D105 S109 | D105-G107 PolarHBondContact O-N 3.36Å; G107-S109 PolarHBondContact O-N 3.4Å |
| 108 | Y | 43.5 | Very low | 43.5 | Very low | 221 Ų | 221 | 144.4 Ų | 144.4 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | | | trans | -60 | 126.1 | 160.2 | -83.5 | -99.8 | 0 | 0 | 0 | 109.5 | N106 | N106-Y108 PolarHBondContact O-N 3.29Å; N106-Y108 VanDerWaalsContact O-N 3.13Å |
| 109 | S | 40 | Very low | 44 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | | | trans | -142.1 | 101.4 | 162.4 | -80.3 | 0 | 0 | 0 | 0 | 111.5 | G107 | G107-S109 PolarHBondContact O-N 3.4Š|
| 110 | R | 47.2 | Very low | 43.9 | Very low | 252 Ų | 252 | 142.8 Ų | 142.8 | 95% | 0.951 | 82% | 0.82 | S | S | * | * | | | trans | -74.5 | 116.9 | 167.5 | -178.8 | -174.3 | -144.4 | -168.4 | 6.3 | 108.7 | | |
| 111 | S | 38.5 | Very low | 44.3 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | -151.9 | 90.3 | 166.2 | 179.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 112 | R | 41.7 | Very low | 44 | Very low | 235 Ų | 235 | 144.5 Ų | 144.5 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | | | trans | 20.8 | 125 | 142.7 | -149.3 | -178.7 | -71.6 | -134.1 | 1.6 | 119.9 | | |
| 113 | A | 43.2 | Very low | 44.4 | Very low | 89 Ų | 89 | 144.8 Ų | 144.8 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | | | trans | -77.4 | 157 | 159.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 114 | P | 49.6 | Very low | 44.8 | Very low | 128 Ų | 128 | 147.6 Ų | 147.6 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | | | | -141.6 | 161.3 | 114.6 | 33.5 | -16.8 | 0 | 0 | 0 | 115.3 | | |
| 115 | D | 46.8 | Very low | 45.2 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | | | trans | -60.8 | 169.9 | -173.4 | -73.2 | -61.2 | 0 | 0 | 0 | 119 | | |
| 116 | L | 43.1 | Very low | 45.6 | Very low | 178 Ų | 178 | 142 Ų | 142 | 93% | 0.932 | 80% | 0.8 | S | S | * | * | | | trans | 117 | 118.9 | 141.6 | -69.1 | 162 | 0 | 0 | 0 | 118.3 | | |
| 117 | G | 33 | Very low | 46.1 | Very low | 82 Ų | 82 | 143.9 Ų | 143.9 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | | | trans | 133.5 | 104 | 149.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 118 | G | 39.5 | Very low | 46.1 | Very low | 78 Ų | 78 | 146.2 Ų | 146.2 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | trans | -85.5 | -153.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 119 | P | 57.1 | Low | 46.6 | Very low | 131 Ų | 131 | 138.9 Ų | 138.9 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | | | cis | -127.7 | 148.6 | -32.2 | 37.3 | -22.1 | 0 | 0 | 0 | 112.4 | | |
| 120 | S | 44.3 | Very low | 46.8 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | | | trans | -168.4 | 118.6 | 154.3 | -171 | 0 | 0 | 0 | 0 | 112 | | |
| 121 | R | 53.6 | Low | 46.7 | Very low | 168 Ų | 168 | 134.8 Ų | 134.8 | 63% | 0.634 | 80% | 0.801 | S | S | * | * | | | trans | -69 | 163.1 | 162.9 | -67.7 | 179.7 | 176.3 | -97.9 | 3.8 | 109.3 | | |
| 122 | P | 45.5 | Very low | 46.9 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | | -125.1 | 133.2 | 86.1 | 3.8 | 17.4 | 0 | 0 | 0 | 111.8 | P124 | P122-P124 WeakPolarHBondContact O-CD 3.44Š|
| 123 | R | 51.8 | Low | 46.9 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 63% | 0.63 | 80% | 0.8 | S | S | * | * | | | trans | -92.4 | 117.4 | 171.4 | -160.5 | -168.2 | -153.8 | 148.1 | -3.7 | 106.4 | L125 | R123-L125 PolarHBondContact O-N 3.17Š|
| 124 | P | 53.4 | Low | 47.3 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -71.2 | 112.3 | 162.2 | -16.5 | 31.3 | 0 | 0 | 0 | 108 | P122 | P122-P124 WeakPolarHBondContact O-CD 3.44Š|
| 125 | L | 51.7 | Low | 47.1 | Very low | 134 Ų | 134 | 138.3 Ų | 138.3 | 70% | 0.702 | 80% | 0.803 | S | S | * | * | | | trans | -78.1 | 121.2 | 170.1 | -72.3 | 168.8 | 0 | 0 | 0 | 108.6 | R123 | R123-L125 PolarHBondContact O-N 3.17Š|
| 126 | M | 50.9 | Low | 46.9 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | | | trans | 54.9 | 97.4 | 140.4 | -58 | -68.4 | 126.4 | 0 | 0 | 117.9 | | |
| 127 | L | 51.3 | Low | 46.7 | Very low | 182 Ų | 182 | 133.9 Ų | 133.9 | 95% | 0.953 | 79% | 0.79 | S | S | * | * | | | trans | -102.4 | 103.9 | 135 | -80 | 165.8 | 0 | 0 | 0 | 107.4 | | |
| 128 | C | 41.6 | Very low | 47.1 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | | | trans | -69.6 | 134.4 | 170 | -65 | 0 | 0 | 0 | 0 | 109.9 | | |
| 129 | G | 55 | Low | 47.2 | Very low | 68 Ų | 68 | 136.2 Ų | 136.2 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | trans | 149.7 | 107.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 130 | L | 44.3 | Very low | 46.5 | Very low | 173 Ų | 173 | 138.5 Ų | 138.5 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | | | trans | 91.2 | 83.7 | 169.7 | -46.2 | -178.6 | 0 | 0 | 0 | 116.3 | P132 | L130-P132 WeakPolarHBondContact O-CD 3.5Š|
| 131 | S | 45 | Very low | 46.6 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | -65.2 | 123.9 | 155 | -56.6 | 0 | 0 | 0 | 0 | 109.9 | R133 | S131-R133 VanDerWaalsContact C-N 3.34Å; S131-R133 PolarHBondContact O-N 3.13Å; S131-R133 VanDerWaalsContact O-N 3.08Å |
| 132 | P | 43.6 | Very low | 46.3 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | | | trans | -69.6 | 105 | 150 | -4.8 | 22.9 | 0 | 0 | 0 | 105.4 | L130 V134 | L130-P132 WeakPolarHBondContact O-CD 3.5Å; P132-V134 PolarHBondContact O-N 3.08Å |
| 133 | R | 41.3 | Very low | 46.4 | Very low | 226 Ų | 226 | 131.7 Ų | 131.7 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | | | trans | -35.5 | 125.2 | 164.3 | -158.6 | 175.7 | -170.3 | 164.3 | 0.6 | 109.1 | S131 L135 | S131-R133 VanDerWaalsContact C-N 3.34Å; S131-R133 PolarHBondContact O-N 3.13Å; S131-R133 VanDerWaalsContact O-N 3.08Å; R133-L135 PolarHBondContact O-N 2.88Å |
| 134 | V | 50.8 | Low | 46.5 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | | | trans | -34.8 | 112.7 | 167.9 | 172.9 | 0 | 0 | 0 | 0 | 110.1 | P132 | P132-V134 PolarHBondContact O-N 3.08Š|
| 135 | L | 45.6 | Very low | 46.4 | Very low | 151 Ų | 151 | 133 Ų | 133 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | trans | -119.6 | 140.5 | 160.7 | -84.7 | 169 | 0 | 0 | 0 | 106.6 | R133 V137 | R133-L135 PolarHBondContact O-N 2.88Å; L135-V137 PolarHBondContact O-N 3.47Å |
| 136 | P | 42 | Very low | 46.5 | Very low | 109 Ų | 109 | 131 Ų | 131 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 128.8 | -162.9 | 25.1 | -32.7 | 0 | 0 | 0 | 110.7 | P138 | P136-P138 VanDerWaalsContact O-CD 3.29Å; P136-P138 WeakPolarHBondContact O-CD 3.31Å |
| 137 | V | 40.3 | Very low | 46.6 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 116.9 | 160.3 | 169.5 | 0 | 0 | 0 | 0 | 107.1 | L135 S139 | L135-V137 PolarHBondContact O-N 3.47Å; V137-S139 PolarHBondContact O-N 3.28Å |
| 138 | P | 39.9 | Very low | 46.9 | Very low | 101 Ų | 101 | 121.7 Ų | 121.7 | 66% | 0.656 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 117 | 157.5 | 28.6 | -26.3 | 0 | 0 | 0 | 104.9 | P136 E140 | P136-P138 VanDerWaalsContact O-CD 3.29Å; P136-P138 WeakPolarHBondContact O-CD 3.31Å; P138-E140 PolarHBondContact O-N 3.39Å |
| 139 | S | 43 | Very low | 47.7 | Very low | 109 Ų | 109 | 122.6 Ų | 122.6 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | | | trans | -59.9 | 91 | 170.4 | 170.5 | 0 | 0 | 0 | 0 | 107.8 | V137 A141 | V137-S139 PolarHBondContact O-N 3.28Å; S139-A141 PolarHBondContact O-N 3.44Å |
| 140 | E | 42.3 | Very low | 48.1 | Very low | 178 Ų | 178 | 122.5 Ų | 122.5 | 83% | 0.832 | 71% | 0.711 | S | S | * | * | | | trans | -69.6 | 89.6 | 167.2 | -64.5 | -177.4 | 126.8 | 0 | 0 | 106.7 | P138 V142 | P138-E140 PolarHBondContact O-N 3.39Å; E140-V142 VanDerWaalsContact C-N 3.29Å; E140-V142 PolarHBondContact O-N 2.87Å |
| 141 | A | 44.8 | Very low | 49.5 | Very low | 81 Ų | 81 | 119.1 Ų | 119.1 | 67% | 0.669 | 69% | 0.694 | S | S | * | * | | | trans | -60.8 | 100 | 162.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | S139 G143 | S139-A141 PolarHBondContact O-N 3.44Å; A141-G143 PolarHBondContact O-N 2.51Å |
| 142 | V | 48.9 | Very low | 51.2 | Low | 149 Ų | 149 | 118.3 Ų | 118.3 | 90% | 0.903 | 68% | 0.68 | S | S | * | * | | | trans | -14.5 | 111.7 | 155.1 | 175.2 | 0 | 0 | 0 | 0 | 112.9 | E140 | E140-V142 VanDerWaalsContact C-N 3.29Å; E140-V142 PolarHBondContact O-N 2.87Å |
| 143 | G | 47.3 | Very low | 52.7 | Low | 44 Ų | 44 | 116.1 Ų | 116.1 | 45% | 0.454 | 67% | 0.667 | S | S | . | * | S | Bend | trans | 160.2 | 67.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | A141 | A141-G143 PolarHBondContact O-N 2.51Š|
| 144 | K | 53 | Low | 54.8 | Low | 206 Ų | 206 | 110.7 Ų | 110.7 | 90% | 0.896 | 65% | 0.653 | S | S | * | * | | | trans | 66.9 | 74.5 | 157 | -58.5 | -179.3 | 173.2 | -178.2 | 0 | 117.2 | | |
| 145 | E | 51 | Low | 56.4 | Low | 113 Ų | 113 | 109.2 Ų | 109.2 | 53% | 0.528 | 64% | 0.64 | S | S | . | * | | | trans | -123.2 | 13.2 | 174.5 | -63 | 85.1 | 171.4 | 0 | 0 | 114.8 | S147 S148 Q149 | E145-S147 VanDerWaalsContact C-N 3.3Å; E145-S147 PolarHBondContact O-N 3.04Å; E145-S148 WeakPolarHBondContact CA-OG 3.35Å; E145-S148 PolarHBondContact O-N 2.79Å; E145-S148 PolarHBondContact O-OG 3.13Å; E145-S148 VanDerWaalsContact O-OG 3.04Å; E145-Q149 PolarHBondContact O-N 3.12Å |
| 146 | A | 54 | Low | 58 | Low | 92 Ų | 92 | 103.4 Ų | 103.4 | 76% | 0.76 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -22.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 147 | S | 53.4 | Low | 60 | Low | 93 Ų | 93 | 102.9 Ų | 102.9 | 65% | 0.65 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -17.6 | 178.3 | 65.7 | 0 | 0 | 0 | 0 | 113.8 | E145 P150 | E145-S147 VanDerWaalsContact C-N 3.3Å; E145-S147 PolarHBondContact O-N 3.04Å; S147-P150 WeakPolarHBondContact O-CD 3.49Å; S147-P150 WeakPolarHBondContact O-CG 3.21Å |
| 148 | S | 58.2 | Low | 62.1 | Low | 40 Ų | 40 | 99.4 Ų | 99.4 | 28% | 0.28 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -89.8 | -22.8 | -179.7 | 51.7 | 0 | 0 | 0 | 0 | 112.6 | E145 D151 I152 | E145-S148 WeakPolarHBondContact CA-OG 3.35Å; E145-S148 PolarHBondContact O-N 2.79Å; E145-S148 PolarHBondContact O-OG 3.13Å; E145-S148 VanDerWaalsContact O-OG 3.04Å; S148-D151 PolarHBondContact O-N 3.06Å; S148-I152 WeakPolarHBondContact O-CD1 3.01Å; S148-I152 WeakPolarHBondContact O-CG1 3.45Å; S148-I152 PolarHBondContact O-N 3.48Å |
| 149 | Q | 57.2 | Low | 64.2 | Low | 134 Ų | 134 | 97.7 Ų | 97.7 | 63% | 0.626 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -56.9 | -45.5 | 176.7 | -161.2 | 165.8 | -23.1 | 0 | 0 | 114.2 | E145 I152 C153 | E145-Q149 PolarHBondContact O-N 3.12Å; Q149-I152 PolarHBondContact O-N 3.22Å; Q149-C153 PolarHBondContact O-N 3.46Å; Q149-C153 PolarHBondContact O-SG 3.08Å; Q149-C153 VanDerWaalsContact O-SG 3.36Å |
| 150 | P | 64.1 | Low | 66 | Low | 66 Ų | 66 | 97.4 Ų | 97.4 | 43% | 0.429 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67 | -34.9 | 173.8 | 26 | -34.5 | 0 | 0 | 0 | 112.8 | S147 I152 C153 I154 | S147-P150 WeakPolarHBondContact O-CD 3.49Å; S147-P150 WeakPolarHBondContact O-CG 3.21Å; P150-I152 VanDerWaalsContact C-N 3.33Å; P150-I152 PolarHBondContact O-N 3Å; P150-C153 PolarHBondContact O-N 3.3Å; P150-I154 VanDerWaalsContact O-CG1 3.3Å; P150-I154 WeakPolarHBondContact O-CG1 3.31Å; P150-I154 PolarHBondContact O-N 3.33Å; P150-I154 VanDerWaalsContact O-N 3.08Å |
| 151 | D | 74.6 | Confident | 67.8 | Low | 103 Ų | 103 | 95.5 Ų | 95.5 | 55% | 0.551 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67 | -35.3 | 179.3 | -66.9 | -22.7 | 0 | 0 | 0 | 111.8 | S148 L155 | S148-D151 PolarHBondContact O-N 3.06Å; D151-L155 VanDerWaalsContact O-CB 3.31Å; D151-L155 WeakPolarHBondContact O-CB 3.28Å; D151-L155 PolarHBondContact O-N 3.45Å |
| 152 | I | 79.1 | Confident | 69.5 | Low | 98 Ų | 98 | 94.9 Ų | 94.9 | 50% | 0.503 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 176 | -67.6 | 160.3 | 0 | 0 | 0 | 111.1 | S148 Q149 P150 L155 T156 | S148-I152 WeakPolarHBondContact O-CD1 3.01Å; S148-I152 WeakPolarHBondContact O-CG1 3.45Å; S148-I152 PolarHBondContact O-N 3.48Å; Q149-I152 PolarHBondContact O-N 3.22Å; P150-I152 VanDerWaalsContact C-N 3.33Å; P150-I152 PolarHBondContact O-N 3Å; I152-L155 PolarHBondContact O-N 3.03Å; I152-T156 PolarHBondContact O-N 3.46Å; I152-T156 PolarHBondContact O-OG1 3.32Å |
| 153 | C | 76 | Confident | 70.5 | Confident | 79 Ų | 79 | 90.8 Ų | 90.8 | 53% | 0.534 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 176.8 | -66.2 | 0 | 0 | 0 | 0 | 111.8 | Q149 P150 T156 L157 | Q149-C153 PolarHBondContact O-N 3.46Å; Q149-C153 PolarHBondContact O-SG 3.08Å; Q149-C153 VanDerWaalsContact O-SG 3.36Å; P150-C153 PolarHBondContact O-N 3.3Å; C153-T156 PolarHBondContact O-N 3.3Å; C153-L157 PolarHBondContact O-N 3.08Å |
| 154 | I | 86.2 | Confident | 70.7 | Confident | 111 Ų | 111 | 92.8 Ų | 92.8 | 57% | 0.569 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.5 | -43.9 | 177.8 | -66.3 | 165.4 | 0 | 0 | 0 | 110.8 | P150 T156 L157 A158 | P150-I154 VanDerWaalsContact O-CG1 3.3Å; P150-I154 WeakPolarHBondContact O-CG1 3.31Å; P150-I154 PolarHBondContact O-N 3.33Å; P150-I154 VanDerWaalsContact O-N 3.08Å; I154-T156 VanDerWaalsContact C-N 3.33Å; I154-T156 PolarHBondContact O-N 3.19Å; I154-L157 PolarHBondContact O-N 3.4Å; I154-A158 WeakPolarHBondContact O-CB 3.16Å; I154-A158 PolarHBondContact O-N 3.25Å |
| 155 | L | 84.2 | Confident | 70.3 | Confident | 110 Ų | 110 | 89 Ų | 89 | 58% | 0.576 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.7 | -42.9 | 177.6 | -178.8 | 61.2 | 0 | 0 | 0 | 111.8 | D151 I152 A158 M159 | D151-L155 VanDerWaalsContact O-CB 3.31Å; D151-L155 WeakPolarHBondContact O-CB 3.28Å; D151-L155 PolarHBondContact O-N 3.45Å; I152-L155 PolarHBondContact O-N 3.03Å; L155-A158 PolarHBondContact O-N 2.96Å; L155-M159 HydrophobicContact CG-SD 4.44Å; L155-M159 WeakPolarHBondContact O-CG 3.25Å; L155-M159 PolarHBondContact O-N 3.09Å; L155-M159 VanDerWaalsContact O-N 3.16Å |
| 156 | T | 78.3 | Confident | 70.7 | Confident | 29 Ų | 29 | 85.7 Ų | 85.7 | 18% | 0.178 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 177.2 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | I152 C153 I154 A158 M159 M160 V169 | I152-T156 PolarHBondContact O-N 3.46Å; I152-T156 PolarHBondContact O-OG1 3.32Å; C153-T156 PolarHBondContact O-N 3.3Å; I154-T156 VanDerWaalsContact C-N 3.33Å; I154-T156 PolarHBondContact O-N 3.19Å; T156-A158 VanDerWaalsContact C-N 3.34Å; T156-A158 PolarHBondContact O-N 3.2Å; T156-M159 PolarHBondContact O-N 3.12Å; T156-M160 HydrophobicContact CG2-SD 4.44Å; T156-M160 PolarHBondContact O-N 3.28Å; T156-M160 VanDerWaalsContact O-N 3.08Å; T156-V169 HydrophobicContact CG2-CG2 3.23Å |
| 157 | L | 84.3 | Confident | 70.5 | Confident | 98 Ų | 98 | 87.4 Ų | 87.4 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 179.7 | -176.7 | 64.2 | 0 | 0 | 0 | 111.5 | C153 I154 M159 M160 I161 | C153-L157 PolarHBondContact O-N 3.08Å; I154-L157 PolarHBondContact O-N 3.4Å; L157-M159 VanDerWaalsContact C-N 3.32Å; L157-M159 PolarHBondContact O-N 3.42Å; L157-M160 PolarHBondContact O-N 3.23Å; L157-I161 HydrophobicContact CD1-CD1 4.26Å; L157-I161 HydrophobicContact CG-CD1 3.97Å; L157-I161 WeakPolarHBondContact O-CG1 3.3Å; L157-I161 PolarHBondContact O-N 3.49Å |
| 158 | A | 85.3 | Confident | 70.6 | Confident | 53 Ų | 53 | 88.2 Ų | 88.2 | 44% | 0.438 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.3 | -39.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I154 L155 T156 A162 | I154-A158 WeakPolarHBondContact O-CB 3.16Å; I154-A158 PolarHBondContact O-N 3.25Å; L155-A158 PolarHBondContact O-N 2.96Å; T156-A158 VanDerWaalsContact C-N 3.34Å; T156-A158 PolarHBondContact O-N 3.2Å; A158-A162 VanDerWaalsContact O-CB 3.25Å; A158-A162 WeakPolarHBondContact O-CB 3.5Å; A158-A162 PolarHBondContact O-N 3.42Å |
| 159 | M | 83.5 | Confident | 70.5 | Confident | 66 Ų | 66 | 89.2 Ų | 89.2 | 33% | 0.325 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.5 | -40 | 177.5 | -69.6 | 175.6 | 67.5 | 0 | 0 | 112.5 | L155 T156 L157 A162 G163 I164 T166 | L155-M159 HydrophobicContact CG-SD 4.44Å; L155-M159 WeakPolarHBondContact O-CG 3.25Å; L155-M159 PolarHBondContact O-N 3.09Å; L155-M159 VanDerWaalsContact O-N 3.16Å; T156-M159 PolarHBondContact O-N 3.12Å; L157-M159 VanDerWaalsContact C-N 3.32Å; L157-M159 PolarHBondContact O-N 3.42Å; M159-A162 PolarHBondContact O-N 2.97Å; M159-G163 PolarHBondContact O-N 3.01Å; M159-I164 HydrophobicContact CB-CB 4.33Å; M159-I164 HydrophobicContact CE-CG2 3.88Å; M159-I164 WeakPolarHBondContact O-CB 3.32Å; M159-I164 PolarHBondContact O-N 3.41Å; M159-T166 HydrophobicContact CB-CG2 3.42Å; M159-T166 VanDerWaalsContact CB-CG2 3.42Å; M159-T166 HydrophobicContact CE-CG2 3.98Å; M159-T166 HydrophobicContact CG-CG2 4.48Å; M159-T166 HydrophobicContact SD-CG2 4.38Å |
| 160 | M | 81.4 | Confident | 70.2 | Confident | 103 Ų | 103 | 89 Ų | 89 | 51% | 0.507 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 174.2 | -73.5 | 177.9 | 66.7 | 0 | 0 | 111.8 | T156 L157 A162 G163 T166 | T156-M160 HydrophobicContact CG2-SD 4.44Å; T156-M160 PolarHBondContact O-N 3.28Å; T156-M160 VanDerWaalsContact O-N 3.08Å; L157-M160 PolarHBondContact O-N 3.23Å; M160-A162 VanDerWaalsContact C-N 3.3Å; M160-A162 PolarHBondContact O-N 3.24Å; M160-G163 PolarHBondContact O-N 3.28Å; M160-G163 VanDerWaalsContact O-N 3.09Å; M160-T166 HydrophobicContact CG-CG2 4.21Å; M160-T166 WeakPolarHBondContact CG-OG1 3.3Å |
| 161 | I | 80.1 | Confident | 70.2 | Confident | 138 Ų | 138 | 89.4 Ų | 89.4 | 71% | 0.708 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.1 | -36.3 | 177.4 | -65 | 167.6 | 0 | 0 | 0 | 111 | L157 G163 | L157-I161 HydrophobicContact CD1-CD1 4.26Å; L157-I161 HydrophobicContact CG-CD1 3.97Å; L157-I161 WeakPolarHBondContact O-CG1 3.3Å; L157-I161 PolarHBondContact O-N 3.49Å; I161-G163 PolarHBondContact O-N 3.39Å |
| 162 | A | 79.4 | Confident | 69.8 | Low | 67 Ų | 67 | 88 Ų | 88 | 55% | 0.554 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -0.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A158 M159 M160 I164 | A158-A162 VanDerWaalsContact O-CB 3.25Å; A158-A162 WeakPolarHBondContact O-CB 3.5Å; A158-A162 PolarHBondContact O-N 3.42Å; M159-A162 PolarHBondContact O-N 2.97Å; M160-A162 VanDerWaalsContact C-N 3.3Å; M160-A162 PolarHBondContact O-N 3.24Å; A162-I164 HydrophobicContact CB-CD1 3.85Å; A162-I164 HydrophobicContact CB-CG1 3.86Å; A162-I164 PolarHBondContact O-N 3.15Å; A162-I164 VanDerWaalsContact O-N 3.16Å |
| 163 | G | 69.4 | Low | 69.7 | Low | 64 Ų | 64 | 90.5 Ų | 90.5 | 66% | 0.66 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.9 | 17.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | M159 M160 I161 | M159-G163 PolarHBondContact O-N 3.01Å; M160-G163 PolarHBondContact O-N 3.28Å; M160-G163 VanDerWaalsContact O-N 3.09Å; I161-G163 PolarHBondContact O-N 3.39Å |
| 164 | I | 51.6 | Low | 69.5 | Low | 85 Ų | 85 | 93.6 Ų | 93.6 | 44% | 0.436 | 56% | 0.558 | S | S | . | * | | | trans | -76.5 | 120.8 | 173.8 | -59.2 | 173.2 | 0 | 0 | 0 | 105.5 | M159 A162 T166 | M159-I164 HydrophobicContact CB-CB 4.33Å; M159-I164 HydrophobicContact CE-CG2 3.88Å; M159-I164 WeakPolarHBondContact O-CB 3.32Å; M159-I164 PolarHBondContact O-N 3.41Å; A162-I164 HydrophobicContact CB-CD1 3.85Å; A162-I164 HydrophobicContact CB-CG1 3.86Å; A162-I164 PolarHBondContact O-N 3.15Å; A162-I164 VanDerWaalsContact O-N 3.16Å; I164-T166 PolarHBondContact O-N 3.06Å |
| 165 | P | 46 | Very low | 69.1 | Low | 127 Ų | 127 | 92.9 Ų | 92.9 | 83% | 0.825 | 55% | 0.552 | S | S | * | * | | | trans | -61 | 104.3 | -176.3 | 23.5 | -32.1 | 0 | 0 | 0 | 109.4 | | |
| 166 | T | 57.8 | Low | 68.8 | Low | 43 Ų | 43 | 92 Ų | 92 | 26% | 0.264 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -89 | 134.2 | 174.5 | 45.5 | 0 | 0 | 0 | 0 | 108.2 | M159 M160 I164 | M159-T166 HydrophobicContact CB-CG2 3.42Å; M159-T166 VanDerWaalsContact CB-CG2 3.42Å; M159-T166 HydrophobicContact CE-CG2 3.98Å; M159-T166 HydrophobicContact CG-CG2 4.48Å; M159-T166 HydrophobicContact SD-CG2 4.38Å; M160-T166 HydrophobicContact CG-CG2 4.21Å; M160-T166 WeakPolarHBondContact CG-OG1 3.3Å; I164-T166 PolarHBondContact O-N 3.06Å |
| 167 | V | 50.4 | Low | 68.8 | Low | 129 Ų | 129 | 95 Ų | 95 | 78% | 0.782 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 129.7 | 162.6 | -179.1 | 0 | 0 | 0 | 0 | 106.1 | V169 | V167-V169 PolarHBondContact O-N 3.24Š|
| 168 | P | 56.2 | Low | 68.8 | Low | 110 Ų | 110 | 94.3 Ų | 94.3 | 71% | 0.714 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 129.2 | -178.3 | 19.9 | -31.5 | 0 | 0 | 0 | 110.1 | P170 | P168-P170 VanDerWaalsContact O-CD 3.24Å; P168-P170 WeakPolarHBondContact O-CD 3.48Å |
| 169 | V | 55 | Low | 69 | Low | 61 Ų | 61 | 100.5 Ų | 100.5 | 37% | 0.37 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 117.9 | 179 | 176.2 | 0 | 0 | 0 | 0 | 108.4 | T156 V167 G171 V172 | T156-V169 HydrophobicContact CG2-CG2 3.23Å; V167-V169 PolarHBondContact O-N 3.24Å; V169-G171 PolarHBondContact O-N 3.32Å; V169-V172 HydrophobicContact CB-CG2 4.36Å; V169-V172 HydrophobicContact CG1-CG2 4.09Å |
| 170 | P | 51.7 | Low | 68.9 | Low | 129 Ų | 129 | 100.1 Ų | 100.1 | 84% | 0.838 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | 124.5 | 177.8 | -20.6 | 32.4 | 0 | 0 | 0 | 110.1 | P168 | P168-P170 VanDerWaalsContact O-CD 3.24Å; P168-P170 WeakPolarHBondContact O-CD 3.48Å |
| 171 | G | 63.2 | Low | 68.9 | Low | 74 Ų | 74 | 97.8 Ų | 97.8 | 76% | 0.763 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 103.3 | -6.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | V169 | V169-G171 PolarHBondContact O-N 3.32Š|
| 172 | V | 66.9 | Low | 69.2 | Low | 75 Ų | 75 | 95.8 Ų | 95.8 | 46% | 0.455 | 56% | 0.562 | S | S | . | * | | | trans | -87.9 | 115.8 | 169.1 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | V169 L177 | V169-V172 HydrophobicContact CB-CG2 4.36Å; V169-V172 HydrophobicContact CG1-CG2 4.09Å; V172-L177 HydrophobicContact CG1-CD1 4.13Å; V172-L177 HydrophobicContact CG1-CD2 3.93Å; V172-L177 HydrophobicContact CG1-CG 3.74Å |
| 173 | R | 77.5 | Confident | 69.2 | Low | 149 Ų | 149 | 94.5 Ų | 94.5 | 56% | 0.562 | 55% | 0.551 | S | S | * | * | | | trans | -82.5 | 151.6 | 175.2 | -58.1 | -178.4 | 54.9 | -149.1 | -2.5 | 110.3 | E175 D176 L177 | R173-E175 WeakPolarHBondContact CB-OE2 3.45Å; R173-E175 IonicContact CZ-OE1 3.73Å; R173-E175 IonicContact CZ-OE2 3.2Å; R173-E175 IonicContact NE-OE2 3.13Å; R173-E175 PolarHBondContact NE-OE2 3.34Å; R173-E175 VanDerWaalsContact NE-OE2 3.13Å; R173-E175 IonicContact NH2-OE1 2.79Å; R173-E175 PolarHBondContact NH2-OE1 3.36Å; R173-E175 IonicContact NH2-OE2 3.04Å; R173-E175 PolarHBondContact NH2-OE2 3Å; R173-E175 PolarHBondContact O-N 2.88Å; R173-D176 PolarHBondContact O-N 3.45Å; R173-D176 VanDerWaalsContact O-N 3.12Å; R173-L177 PolarHBondContact O-N 3.46Å |
| 174 | E | 70.6 | Confident | 69.9 | Low | 145 Ų | 145 | 98 Ų | 98 | 68% | 0.678 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -57.6 | -34.1 | 179.1 | -175.9 | 175.1 | -179.8 | 0 | 0 | 111.9 | D176 L177 I178 | E174-D176 VanDerWaalsContact C-N 3.31Å; E174-D176 PolarHBondContact O-N 3.05Å; E174-L177 WeakPolarHBondContact O-CB 3.34Å; E174-L177 PolarHBondContact O-N 3.36Å; E174-I178 HydrophobicContact CG-CD1 4.24Å; E174-I178 WeakPolarHBondContact O-CG1 3.41Å; E174-I178 PolarHBondContact O-N 2.94Å; E174-I178 VanDerWaalsContact O-N 3.15Å |
| 175 | E | 78.4 | Confident | 71.1 | Confident | 96 Ų | 96 | 100.7 Ų | 100.7 | 45% | 0.449 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.9 | -32.2 | -179.5 | -56 | 86.7 | 164.1 | 0 | 0 | 112.7 | R173 L177 I178 W179 | R173-E175 WeakPolarHBondContact CB-OE2 3.45Å; R173-E175 IonicContact CZ-OE1 3.73Å; R173-E175 IonicContact CZ-OE2 3.2Å; R173-E175 IonicContact NE-OE2 3.13Å; R173-E175 PolarHBondContact NE-OE2 3.34Å; R173-E175 VanDerWaalsContact NE-OE2 3.13Å; R173-E175 IonicContact NH2-OE1 2.79Å; R173-E175 PolarHBondContact NH2-OE1 3.36Å; R173-E175 IonicContact NH2-OE2 3.04Å; R173-E175 PolarHBondContact NH2-OE2 3Å; R173-E175 PolarHBondContact O-N 2.88Å; E175-L177 VanDerWaalsContact C-N 3.35Å; E175-I178 PolarHBondContact O-N 3.41Å; E175-W179 PolarHBondContact O-N 3.19Å |
| 176 | D | 77.3 | Confident | 72.5 | Confident | 91 Ų | 91 | 101.3 Ų | 101.3 | 49% | 0.487 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -72.2 | -32.9 | 177.8 | -61.7 | -29.8 | 0 | 0 | 0 | 111.2 | R173 E174 A180 | R173-D176 PolarHBondContact O-N 3.45Å; R173-D176 VanDerWaalsContact O-N 3.12Å; E174-D176 VanDerWaalsContact C-N 3.31Å; E174-D176 PolarHBondContact O-N 3.05Å; D176-A180 VanDerWaalsContact O-CB 3.3Å; D176-A180 WeakPolarHBondContact O-CB 3.39Å; D176-A180 PolarHBondContact O-N 3.15Å |
| 177 | L | 79.1 | Confident | 73.3 | Confident | 91 Ų | 91 | 102.6 Ų | 102.6 | 48% | 0.476 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67 | -41.6 | 173.9 | -67.4 | 167.5 | 0 | 0 | 0 | 111.3 | V172 R173 E174 E175 A180 A181 | V172-L177 HydrophobicContact CG1-CD1 4.13Å; V172-L177 HydrophobicContact CG1-CD2 3.93Å; V172-L177 HydrophobicContact CG1-CG 3.74Å; R173-L177 PolarHBondContact O-N 3.46Å; E174-L177 WeakPolarHBondContact O-CB 3.34Å; E174-L177 PolarHBondContact O-N 3.36Å; E175-L177 VanDerWaalsContact C-N 3.35Å; L177-A180 PolarHBondContact O-N 3.38Å; L177-A181 WeakPolarHBondContact O-CB 3.46Å; L177-A181 PolarHBondContact O-N 3.04Å |
| 178 | I | 83.3 | Confident | 74.3 | Confident | 85 Ų | 85 | 102.2 Ų | 102.2 | 44% | 0.436 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.2 | -44.6 | 177 | -64 | 166.5 | 0 | 0 | 0 | 110.4 | E174 E175 A181 Q182 | E174-I178 HydrophobicContact CG-CD1 4.24Å; E174-I178 WeakPolarHBondContact O-CG1 3.41Å; E174-I178 PolarHBondContact O-N 2.94Å; E174-I178 VanDerWaalsContact O-N 3.15Å; E175-I178 PolarHBondContact O-N 3.41Å; I178-A181 PolarHBondContact O-N 3.13Å; I178-Q182 WeakPolarHBondContact O-CG 3.37Å; I178-Q182 PolarHBondContact O-N 2.93Å |
| 179 | W | 90.7 | Very high | 74.6 | Confident | 183 Ų | 183 | 101.9 Ų | 101.9 | 69% | 0.693 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.3 | -42.9 | 177.9 | -174.1 | -90.7 | 0 | 0 | 0 | 112.2 | E175 A181 Q182 A183 | E175-W179 PolarHBondContact O-N 3.19Å; W179-A181 VanDerWaalsContact C-N 3.35Å; W179-A181 PolarHBondContact O-N 3.24Å; W179-Q182 PolarHBondContact O-N 3.49Å; W179-A183 WeakPolarHBondContact O-CB 3.23Å; W179-A183 PolarHBondContact O-N 3.44Å |
| 180 | A | 81.4 | Confident | 75 | Confident | 57 Ų | 57 | 105.5 Ų | 105.5 | 47% | 0.471 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.1 | -41.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D176 L177 A183 F184 | D176-A180 VanDerWaalsContact O-CB 3.3Å; D176-A180 WeakPolarHBondContact O-CB 3.39Å; D176-A180 PolarHBondContact O-N 3.15Å; L177-A180 PolarHBondContact O-N 3.38Å; A180-A183 PolarHBondContact O-N 3.44Å; A180-F184 WeakPolarHBondContact O-CB 3.37Å; A180-F184 PolarHBondContact O-N 3.29Å |
| 181 | A | 80.8 | Confident | 75.3 | Confident | 54 Ų | 54 | 104.2 Ų | 104.2 | 45% | 0.446 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.7 | -44.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | L177 I178 W179 F184 M185 | L177-A181 WeakPolarHBondContact O-CB 3.46Å; L177-A181 PolarHBondContact O-N 3.04Å; I178-A181 PolarHBondContact O-N 3.13Å; W179-A181 VanDerWaalsContact C-N 3.35Å; W179-A181 PolarHBondContact O-N 3.24Å; A181-F184 PolarHBondContact O-N 3.33Å; A181-M185 WeakPolarHBondContact O-CG 3.43Å; A181-M185 PolarHBondContact O-N 3.4Å |
| 182 | Q | 85.8 | Confident | 74.8 | Confident | 97 Ų | 97 | 110.1 Ų | 110.1 | 45% | 0.453 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.5 | -43.4 | 176.8 | -71.3 | 177.4 | -1.9 | 0 | 0 | 111.9 | I178 W179 F184 M185 M186 | I178-Q182 WeakPolarHBondContact O-CG 3.37Å; I178-Q182 PolarHBondContact O-N 2.93Å; W179-Q182 PolarHBondContact O-N 3.49Å; Q182-F184 VanDerWaalsContact C-N 3.3Å; Q182-F184 PolarHBondContact O-N 3.39Å; Q182-M185 PolarHBondContact O-N 3.15Å; Q182-M186 HydrophobicContact CB-CE 4.41Å; Q182-M186 WeakPolarHBondContact O-CG 3.47Å; Q182-M186 PolarHBondContact O-N 3.15Å |
| 183 | A | 81.1 | Confident | 74.2 | Confident | 39 Ų | 39 | 110 Ų | 110 | 32% | 0.322 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.7 | -39.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | W179 A180 M186 A187 | W179-A183 WeakPolarHBondContact O-CB 3.23Å; W179-A183 PolarHBondContact O-N 3.44Å; A180-A183 PolarHBondContact O-N 3.44Å; A183-M186 PolarHBondContact O-N 2.96Å; A183-A187 VanDerWaalsContact O-CB 3.22Å; A183-A187 WeakPolarHBondContact O-CB 3.22Å; A183-A187 PolarHBondContact O-N 3.14Å |
| 184 | F | 82.6 | Confident | 72.6 | Confident | 137 Ų | 137 | 106.6 Ų | 106.6 | 60% | 0.601 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.9 | -44.9 | 175.7 | -177.4 | -97.4 | 0 | 0 | 0 | 112.3 | A180 A181 Q182 M186 A187 H188 | A180-F184 WeakPolarHBondContact O-CB 3.37Å; A180-F184 PolarHBondContact O-N 3.29Å; A181-F184 PolarHBondContact O-N 3.33Å; Q182-F184 VanDerWaalsContact C-N 3.3Å; Q182-F184 PolarHBondContact O-N 3.39Å; F184-M186 VanDerWaalsContact C-N 3.33Å; F184-M186 PolarHBondContact O-N 3.35Å; F184-A187 PolarHBondContact O-N 3.1Å; F184-H188 AromaticContact CD2-CD2 3.62Å; F184-H188 AromaticContact CE2-CD2 3.47Å; F184-H188 VanDerWaalsContact CE2-CD2 3.47Å; F184-H188 WeakPolarHBondContact CE2-CD2 3.31Å; F184-H188 AromaticContact CE2-NE2 3.76Å; F184-H188 AromaticContact CZ-CD2 3.95Å; F184-H188 PolarHBondContact O-CD2 3.21Å; F184-H188 PolarHBondContact O-N 2.9Å; F184-H188 VanDerWaalsContact O-N 3.13Å |
| 185 | M | 78.1 | Confident | 71.5 | Confident | 143 Ų | 143 | 106 Ų | 106 | 70% | 0.704 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.6 | -38.3 | 176.1 | -71.1 | 178.8 | 64 | 0 | 0 | 112.7 | A181 Q182 H188 | A181-M185 WeakPolarHBondContact O-CG 3.43Å; A181-M185 PolarHBondContact O-N 3.4Å; Q182-M185 PolarHBondContact O-N 3.15Å; M185-H188 CarbonylContact O-C 3.54Å |
| 186 | M | 75.3 | Confident | 70 | Confident | 140 Ų | 140 | 109.7 Ų | 109.7 | 69% | 0.69 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -74.8 | -34.2 | 178.8 | -70.6 | -172.9 | -68.7 | 0 | 0 | 113 | Q182 A183 F184 H188 | Q182-M186 HydrophobicContact CB-CE 4.41Å; Q182-M186 WeakPolarHBondContact O-CG 3.47Å; Q182-M186 PolarHBondContact O-N 3.15Å; A183-M186 PolarHBondContact O-N 2.96Å; F184-M186 VanDerWaalsContact C-N 3.33Å; F184-M186 PolarHBondContact O-N 3.35Å; M186-H188 VanDerWaalsContact C-N 3.31Å |
| 187 | A | 74.1 | Confident | 68.7 | Low | 69 Ų | 69 | 109.5 Ų | 109.5 | 57% | 0.57 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -77.2 | -18.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A183 F184 | A183-A187 VanDerWaalsContact O-CB 3.22Å; A183-A187 WeakPolarHBondContact O-CB 3.22Å; A183-A187 PolarHBondContact O-N 3.14Å; F184-A187 PolarHBondContact O-N 3.1Å |
| 188 | H | 70.4 | Confident | 67 | Low | 121 Ų | 121 | 109.4 Ų | 109.4 | 56% | 0.56 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -126.1 | 71.2 | 178 | -61 | -71.2 | 0 | 0 | 0 | 110.7 | F184 M185 M186 E190 | F184-H188 AromaticContact CD2-CD2 3.62Å; F184-H188 AromaticContact CE2-CD2 3.47Å; F184-H188 VanDerWaalsContact CE2-CD2 3.47Å; F184-H188 WeakPolarHBondContact CE2-CD2 3.31Å; F184-H188 AromaticContact CE2-NE2 3.76Å; F184-H188 AromaticContact CZ-CD2 3.95Å; F184-H188 PolarHBondContact O-CD2 3.21Å; F184-H188 PolarHBondContact O-N 2.9Å; F184-H188 VanDerWaalsContact O-N 3.13Å; M185-H188 CarbonylContact O-C 3.54Å; M186-H188 VanDerWaalsContact C-N 3.31Å; H188-E190 PolarHBondContact O-N 3.26Å |
| 189 | P | 63.4 | Low | 64.8 | Low | 104 Ų | 104 | 113.6 Ų | 113.6 | 68% | 0.675 | 65% | 0.652 | S | S | * | * | | | trans | -60 | 128.2 | 171.1 | 26.4 | -32.1 | 0 | 0 | 0 | 108.8 | | |
| 190 | E | 64.1 | Low | 62.5 | Low | 136 Ų | 136 | 118 Ų | 118 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | | | trans | -53.1 | 132.3 | 175.2 | -142.2 | -87.2 | 146.8 | 0 | 0 | 108.6 | H188 E192 | H188-E190 PolarHBondContact O-N 3.26Å; E190-E192 PolarHBondContact O-N 2.91Å; E190-E192 VanDerWaalsContact O-N 3.12Å |
| 191 | P | 57.2 | Low | 60.6 | Low | 102 Ų | 102 | 120.1 Ų | 120.1 | 66% | 0.662 | 67% | 0.669 | S | S | * | * | | | trans | -66.8 | 114.7 | 179.2 | 26.1 | -31.7 | 0 | 0 | 0 | 109.2 | G193 | P191-G193 PolarHBondContact O-N 3.12Š|
| 192 | E | 52.2 | Low | 59.1 | Low | 199 Ų | 199 | 126 Ų | 126 | 93% | 0.93 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -38.9 | 103.8 | 176.7 | -164.8 | 76.5 | -159.3 | 0 | 0 | 112 | E190 | E190-E192 PolarHBondContact O-N 2.91Å; E190-E192 VanDerWaalsContact O-N 3.12Å |
| 193 | G | 54.3 | Low | 57.1 | Low | 71 Ų | 71 | 125.7 Ų | 125.7 | 73% | 0.732 | 70% | 0.701 | S | S | * | * | | | trans | 120.3 | 68.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | P191 | P191-G193 PolarHBondContact O-N 3.12Š|
| 194 | A | 43.8 | Very low | 55.4 | Low | 78 Ų | 78 | 131.9 Ų | 131.9 | 65% | 0.645 | 72% | 0.724 | S | S | * | * | | | trans | -135.2 | 75.5 | 151.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | E196 | A194-E196 PolarHBondContact O-N 3.21Š|
| 195 | V | 48.1 | Very low | 53.5 | Low | 133 Ų | 133 | 130 Ų | 130 | 81% | 0.806 | 73% | 0.734 | S | S | * | * | | | trans | -39.5 | 122.8 | 152.8 | 155.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 196 | E | 47.4 | Very low | 51.9 | Low | 173 Ų | 173 | 131 Ų | 131 | 81% | 0.808 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 36.3 | 98.8 | 139.9 | -160.4 | 165 | -179.3 | 0 | 0 | 116 | A194 A198 | A194-E196 PolarHBondContact O-N 3.21Å; E196-A198 PolarHBondContact O-N 3.32Å |
| 197 | G | 50.4 | Low | 50.2 | Low | 88 Ų | 88 | 130.9 Ų | 130.9 | 91% | 0.907 | 74% | 0.743 | S | S | * | * | | | trans | 41.7 | 75.6 | 148.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 198 | A | 42 | Very low | 48.6 | Very low | 89 Ų | 89 | 132.4 Ų | 132.4 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | | | trans | -146.1 | 114.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E196 | E196-A198 PolarHBondContact O-N 3.32Š|
| 199 | R | 38.3 | Very low | 47.8 | Very low | 172 Ų | 172 | 132.3 Ų | 132.3 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | | | trans | 65.5 | 83.2 | 136 | -165.3 | 174.7 | -173.7 | -103.1 | 2.2 | 115.4 | E201 | R199-E201 HydrophobicContact CG-CB 3.27Å; R199-E201 HydrophobicContact CG-CG 4.35Å; R199-E201 WeakPolarHBondContact CG-OE2 3.42Å; R199-E201 VanDerWaalsContact CZ-CB 3.45Å; R199-E201 IonicContact CZ-OE1 3.1Å; R199-E201 IonicContact CZ-OE2 3.54Å; R199-E201 VanDerWaalsContact CZ-OE2 3.3Å; R199-E201 IonicContact NE-OE1 3.31Å; R199-E201 IonicContact NE-OE2 3.68Å; R199-E201 PolarHBondContact NE-OE2 3.31Å; R199-E201 IonicContact NH2-OE1 3.3Å; R199-E201 PolarHBondContact NH2-OE1 3.36Å; R199-E201 IonicContact NH2-OE2 2.73Å; R199-E201 PolarHBondContact NH2-OE2 2.69Å; R199-E201 PolarHBondContact O-N 2.82Å |
| 200 | W | 40.7 | Very low | 46.8 | Very low | 275 Ų | 275 | 130.4 Ų | 130.4 | 100% | 1.042 | 77% | 0.768 | S | S | * | * | | | trans | -64.8 | 73.3 | 149.5 | -67.6 | 100.9 | 0 | 0 | 0 | 109.4 | | |
| 201 | E | 42.2 | Very low | 46 | Very low | 102 Ų | 102 | 133.9 Ų | 133.9 | 48% | 0.477 | 78% | 0.781 | S | S | . | * | | | trans | -125.7 | 104.7 | 176.2 | -152.1 | 161.6 | 145.8 | 0 | 0 | 109.4 | R199 | R199-E201 HydrophobicContact CG-CB 3.27Å; R199-E201 HydrophobicContact CG-CG 4.35Å; R199-E201 WeakPolarHBondContact CG-OE2 3.42Å; R199-E201 VanDerWaalsContact CZ-CB 3.45Å; R199-E201 IonicContact CZ-OE1 3.1Å; R199-E201 IonicContact CZ-OE2 3.54Å; R199-E201 VanDerWaalsContact CZ-OE2 3.3Å; R199-E201 IonicContact NE-OE1 3.31Å; R199-E201 IonicContact NE-OE2 3.68Å; R199-E201 PolarHBondContact NE-OE2 3.31Å; R199-E201 IonicContact NH2-OE1 3.3Å; R199-E201 PolarHBondContact NH2-OE1 3.36Å; R199-E201 IonicContact NH2-OE2 2.73Å; R199-E201 PolarHBondContact NH2-OE2 2.69Å; R199-E201 PolarHBondContact O-N 2.82Å |
| 202 | Q | 49.5 | Very low | 45.4 | Very low | 177 Ų | 177 | 137.5 Ų | 137.5 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | | | trans | 58.3 | 71.2 | 139.4 | -162.5 | 176 | 10.4 | 0 | 0 | 115.1 | | |
| 203 | A | 44.2 | Very low | 45.4 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | | | trans | -127.1 | 47.2 | 164 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 204 | H | 45.5 | Very low | 45.3 | Very low | 170 Ų | 170 | 138.3 Ų | 138.3 | 79% | 0.787 | 79% | 0.791 | S | S | * | * | | | trans | -134.9 | 78 | 160.3 | -72.2 | -45.1 | 0 | 0 | 0 | 110.1 | | |
| 205 | A | 41.8 | Very low | 45.3 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | | | trans | -131.6 | 115.1 | 151.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 206 | H | 44.3 | Very low | 45.4 | Very low | 163 Ų | 163 | 145.4 Ų | 145.4 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | trans | -72 | 146 | -166.9 | -54.2 | -86.6 | 0 | 0 | 0 | 112 | A208 | H206-A208 PolarHBondContact O-N 3.49Š|
| 207 | T | 39.3 | Very low | 45 | Very low | 137 Ų | 137 | 143 Ų | 143 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | | | trans | -41.6 | 117.3 | 162 | -52.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 208 | A | 40.6 | Very low | 44.9 | Very low | 102 Ų | 102 | 147.7 Ų | 147.7 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | | | trans | -114.6 | 97.9 | 154.2 | 0 | 0 | 0 | 0 | 0 | 108 | H206 G210 | H206-A208 PolarHBondContact O-N 3.49Å; A208-G210 PolarHBondContact O-N 2.73Å |
| 209 | S | 55.1 | Low | 45.3 | Very low | 118 Ų | 118 | 155.1 Ų | 155.1 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | trans | -68.2 | 120 | 171 | 177.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 210 | G | 41.5 | Very low | 45.4 | Very low | 65 Ų | 65 | 152.1 Ų | 152.1 | 67% | 0.67 | 81% | 0.813 | S | S | * | * | | | trans | -171.9 | 99 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A208 M212 | A208-G210 PolarHBondContact O-N 2.73Å; G210-M212 PolarHBondContact O-N 3.45Å |
| 211 | K | 48.3 | Very low | 45.9 | Very low | 208 Ų | 208 | 148 Ų | 148 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | | | trans | -61.3 | 128.3 | 177 | -54.1 | 179.4 | -178.2 | -171.5 | 0 | 109.6 | | |
| 212 | M | 44.6 | Very low | 46.7 | Very low | 179 Ų | 179 | 148.8 Ų | 148.8 | 88% | 0.882 | 82% | 0.819 | S | S | * | * | | | trans | -130.6 | 128.8 | 161.2 | -75.1 | -160.9 | 134.9 | 0 | 0 | 109.9 | G210 | G210-M212 PolarHBondContact O-N 3.45Š|
| 213 | P | 50.7 | Low | 46.5 | Very low | 115 Ų | 115 | 146.4 Ų | 146.4 | 75% | 0.747 | 82% | 0.822 | S | S | * | * | | | trans | -74 | 132.3 | 175.9 | 29.2 | -29.5 | 0 | 0 | 0 | 110 | V215 | P213-V215 PolarHBondContact O-N 3.02Š|
| 214 | L | 52.9 | Low | 46.2 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 90% | 0.901 | 82% | 0.823 | S | S | * | * | | | trans | -57.3 | 99.8 | 172.4 | -179.1 | 69.5 | 0 | 0 | 0 | 110.4 | | |
| 215 | V | 44.8 | Very low | 46.3 | Very low | 129 Ų | 129 | 142.8 Ų | 142.8 | 78% | 0.782 | 82% | 0.822 | S | S | * | * | | | trans | -104.8 | 103.1 | 166.6 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | P213 S217 | P213-V215 PolarHBondContact O-N 3.02Å; V215-S217 PolarHBondContact O-N 3.21Å |
| 216 | R | 49.5 | Very low | 46.1 | Very low | 231 Ų | 231 | 143.6 Ų | 143.6 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | | | trans | -68.3 | 104.1 | 174 | -164.1 | 179 | -170.6 | 155 | 1.9 | 108.5 | K218 | R216-K218 PolarHBondContact O-N 3.08Å; R216-K218 VanDerWaalsContact O-N 3.08Å |
| 217 | S | 39.7 | Very low | 45.9 | Very low | 121 Ų | 121 | 147.8 Ų | 147.8 | 85% | 0.846 | 85% | 0.847 | S | S | * | * | | | trans | -73.1 | 102.2 | 174.3 | -168.8 | 0 | 0 | 0 | 0 | 109.8 | V215 R219 | V215-S217 PolarHBondContact O-N 3.21Å; S217-R219 PolarHBondContact O-N 3.1Å |
| 218 | K | 46.8 | Very low | 46.2 | Very low | 187 Ų | 187 | 148.3 Ų | 148.3 | 81% | 0.813 | 85% | 0.847 | S | S | * | * | | | trans | -79.6 | 107.8 | 177.5 | -163.5 | 178.4 | -178.9 | -175.2 | 0 | 107.9 | R216 S220 | R216-K218 PolarHBondContact O-N 3.08Å; R216-K218 VanDerWaalsContact O-N 3.08Å; K218-S220 PolarHBondContact O-N 3.4Å; K218-S220 VanDerWaalsContact O-N 3.1Å |
| 219 | R | 50.5 | Low | 46.5 | Very low | 246 Ų | 246 | 150.7 Ų | 150.7 | 93% | 0.928 | 85% | 0.847 | S | S | * | * | | | trans | -50 | 113.5 | 166.5 | 175.2 | -178.5 | -91.2 | -173.8 | -6.8 | 108.8 | S217 | S217-R219 PolarHBondContact O-N 3.1Š|
| 220 | S | 40.7 | Very low | 46.1 | Very low | 109 Ų | 109 | 152.6 Ų | 152.6 | 76% | 0.762 | 85% | 0.849 | S | S | * | * | | | trans | -125.1 | 143.7 | 165.9 | 53.7 | 0 | 0 | 0 | 0 | 109.2 | K218 | K218-S220 PolarHBondContact O-N 3.4Å; K218-S220 VanDerWaalsContact O-N 3.1Å |
| 221 | Q | 50.6 | Low | 46.3 | Very low | 188 Ų | 188 | 157.7 Ų | 157.7 | 88% | 0.879 | 86% | 0.859 | S | S | * | * | | | trans | -61.2 | 166.4 | -171.1 | -85.2 | 172.1 | -62.8 | 0 | 0 | 115 | | |
| 222 | P | 60.3 | Low | 46.2 | Very low | 118 Ų | 118 | 154.6 Ų | 154.6 | 77% | 0.766 | 86% | 0.856 | S | S | * | * | | | trans | -87 | 141.5 | 178.7 | 35.3 | -30.3 | 0 | 0 | 0 | 111.4 | | |
| 223 | S | 43.9 | Very low | 46.3 | Very low | 128 Ų | 128 | 152.9 Ų | 152.9 | 90% | 0.895 | 85% | 0.854 | S | S | * | * | | | trans | -148.4 | 119.7 | 162.1 | -77.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 224 | G | 39.7 | Very low | 46 | Very low | 75 Ų | 75 | 155.6 Ų | 155.6 | 77% | 0.773 | 86% | 0.862 | S | S | * | * | | | trans | 98.3 | 101.1 | 140.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 225 | S | 47.5 | Very low | 45.5 | Very low | 110 Ų | 110 | 154.4 Ų | 154.4 | 77% | 0.769 | 86% | 0.859 | S | S | * | * | | | | 49.8 | 118.2 | 115.9 | 176.2 | 0 | 0 | 0 | 0 | 119.7 | | |
| 226 | C | 36.2 | Very low | 45.5 | Very low | 114 Ų | 114 | 156.5 Ų | 156.5 | 77% | 0.77 | 87% | 0.866 | S | S | * | * | | | | 172.2 | 116.2 | 112.3 | -88.9 | 0 | 0 | 0 | 0 | 110 | | |
| 227 | L | 41 | Very low | 45.2 | Very low | 251 Ų | 251 | 149.7 Ų | 149.7 | 100% | 1.314 | 87% | 0.865 | S | S | * | * | | | trans | 164.6 | 0 | 133.7 | -84.5 | 176.9 | 0 | 0 | 0 | 109.5 | | |