| 1 | D | 49.4 | Very low | 59.3 | Low | 215 Ų | 215 | 163.6 Ų | 163.6 | 100% | 1.15 | 83% | 0.829 | S | S | * | * | | | | 0 | 103.8 | 0 | -57.1 | -7.6 | 0 | 0 | 0 | 110.9 | | |
| 2 | C | 51 | Low | 58.4 | Low | 134 Ų | 134 | 156.1 Ų | 156.1 | 91% | 0.905 | 82% | 0.822 | S | S | * | * | | | trans | -94.3 | 107.2 | 179.8 | -60.7 | 0 | 0 | 0 | 0 | 109.2 | A4 | C2-A4 PolarHBondContact O-N 2.91Š|
| 3 | Y | 51.3 | Low | 57.7 | Low | 220 Ų | 220 | 153.5 Ų | 153.5 | 86% | 0.863 | 82% | 0.816 | S | S | * | * | | | trans | -85.6 | 99.1 | -178.7 | -163.1 | -94 | 0 | 0 | 0 | 110.9 | | |
| 4 | A | 60.6 | Low | 56.9 | Low | 82 Ų | 82 | 152.3 Ų | 152.3 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | | | trans | -81.3 | 127.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | C2 Q6 | C2-A4 PolarHBondContact O-N 2.91Å; A4-Q6 PolarHBondContact O-N 2.94Å |
| 5 | P | 58.5 | Low | 56.6 | Low | 108 Ų | 108 | 154.3 Ų | 154.3 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | | | trans | -70.4 | 117.7 | 179.3 | -17.8 | 31.3 | 0 | 0 | 0 | 111.8 | R7 | P5-R7 PolarHBondContact O-N 2.93Š|
| 6 | Q | 66.9 | Low | 56.6 | Low | 192 Ų | 192 | 150.3 Ų | 150.3 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | | | trans | -72 | 115.6 | 178.3 | -159.1 | 162.6 | 17.7 | 0 | 0 | 110.1 | A4 | A4-Q6 PolarHBondContact O-N 2.94Š|
| 7 | R | 61.4 | Low | 56.3 | Low | 232 Ų | 232 | 153.2 Ų | 153.2 | 88% | 0.875 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 117.6 | 178.5 | -64.5 | -176.1 | -178.8 | -168 | 0.6 | 109.5 | P5 | P5-R7 PolarHBondContact O-N 2.93Š|
| 8 | I | 67.1 | Low | 55.8 | Low | 139 Ų | 139 | 149.8 Ų | 149.8 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 121.5 | 170.9 | -59.8 | 173.2 | 0 | 0 | 0 | 107.6 | F10 | I8-F10 HydrophobicContact CG2-CD2 4.26Å; I8-F10 HydrophobicContact CG2-CE2 3.83Å; I8-F10 HydrophobicContact CG2-CZ 3.99Å |
| 9 | I | 67.1 | Low | 55.2 | Low | 140 Ų | 140 | 151.4 Ų | 151.4 | 72% | 0.718 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 119.5 | 173.2 | -58 | 175.3 | 0 | 0 | 0 | 107 | L11 | I9-L11 HydrophobicContact CG2-CD1 4.3Š|
| 10 | F | 54.8 | Low | 54.2 | Low | 182 Ų | 182 | 148.8 Ų | 148.8 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | | | trans | -87.1 | 110.9 | 167.7 | -66.9 | -86.7 | 0 | 0 | 0 | 107.9 | I8 G12 | I8-F10 HydrophobicContact CG2-CD2 4.26Å; I8-F10 HydrophobicContact CG2-CE2 3.83Å; I8-F10 HydrophobicContact CG2-CZ 3.99Å; F10-G12 PolarHBondContact O-N 3.15Å |
| 11 | L | 64.1 | Low | 53.4 | Low | 156 Ų | 156 | 148.9 Ų | 148.9 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | | | trans | -72.9 | 116.1 | 160.2 | -115.5 | 69.6 | 0 | 0 | 0 | 106.9 | I9 V13 | I9-L11 HydrophobicContact CG2-CD1 4.3Å; L11-V13 PolarHBondContact O-N 3.02Å |
| 12 | G | 48 | Very low | 52.7 | Low | 73 Ų | 73 | 147 Ų | 147 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | | | trans | -67.3 | 118.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | F10 D14 | F10-G12 PolarHBondContact O-N 3.15Å; G12-D14 PolarHBondContact O-N 2.91Å |
| 13 | V | 49.4 | Very low | 52.3 | Low | 122 Ų | 122 | 147.8 Ų | 147.8 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | | | trans | -76.1 | 113.8 | 164.3 | 177.2 | 0 | 0 | 0 | 0 | 106.2 | L11 E15 | L11-V13 PolarHBondContact O-N 3.02Å; V13-E15 HydrophobicContact CG1-CG 3.96Å; V13-E15 PolarHBondContact O-N 2.9Å |
| 14 | D | 47.2 | Very low | 51.4 | Low | 137 Ų | 137 | 145.6 Ų | 145.6 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | | | trans | -84.9 | 93.9 | 177.3 | -162.6 | 13 | 0 | 0 | 0 | 108.7 | G12 S16 | G12-D14 PolarHBondContact O-N 2.91Å; D14-S16 PolarHBondContact O-N 2.84Å |
| 15 | E | 52.1 | Low | 50.3 | Low | 182 Ų | 182 | 146.3 Ų | 146.3 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | | | trans | -80 | 62.8 | 177 | -65.1 | -172 | 165 | 0 | 0 | 110.6 | V13 | V13-E15 HydrophobicContact CG1-CG 3.96Å; V13-E15 PolarHBondContact O-N 2.9Å |
| 16 | S | 56.7 | Low | 49.3 | Very low | 91 Ų | 91 | 147.2 Ų | 147.2 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | | | trans | -129 | 47.6 | 178.3 | 84 | 0 | 0 | 0 | 0 | 114 | D14 | D14-S16 PolarHBondContact O-N 2.84Š|
| 17 | E | 51.9 | Low | 47.8 | Very low | 199 Ų | 199 | 143.5 Ų | 143.5 | 93% | 0.93 | 79% | 0.789 | S | S | * | * | | | trans | -138 | 66.8 | 166.8 | -158.4 | 171 | -145.6 | 0 | 0 | 112.8 | | |
| 18 | A | 46.4 | Very low | 46.3 | Very low | 92 Ų | 92 | 142.1 Ų | 142.1 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -155.9 | 133 | 152.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 19 | L | 44.1 | Very low | 44.4 | Very low | 180 Ų | 180 | 140.7 Ų | 140.7 | 94% | 0.942 | 79% | 0.791 | S | S | * | * | | | trans | 79.8 | 74.8 | 179.2 | -49 | 176 | 0 | 0 | 0 | 117.2 | | |
| 20 | A | 36.8 | Very low | 43 | Very low | 100 Ų | 100 | 139.6 Ų | 139.6 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | | | trans | -145.5 | 133.4 | 142.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | D22 | A20-D22 PolarHBondContact O-N 2.88Š|
| 21 | E | 37.3 | Very low | 42 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | | | trans | -40.8 | 121.4 | -176.8 | -56.1 | 169.3 | 116.7 | 0 | 0 | 115.9 | K23 | E21-K23 VanDerWaalsContact C-N 3.32Å; E21-K23 HydrophobicContact CB-CG 4.02Å; E21-K23 PolarHBondContact O-N 2.92Å; E21-K23 IonicContact OE1-NZ 3.72Å; E21-K23 WeakPolarHBondContact OE2-CE 3.41Å; E21-K23 IonicContact OE2-NZ 2.79Å; E21-K23 PolarHBondContact OE2-NZ 3.27Å |
| 22 | D | 33 | Very low | 40.5 | Very low | 175 Ų | 175 | 136.3 Ų | 136.3 | 94% | 0.936 | 79% | 0.792 | S | S | * | * | | | trans | -66.1 | 90.6 | 157.4 | -95.4 | -27.5 | 0 | 0 | 0 | 109.3 | A20 E24 | A20-D22 PolarHBondContact O-N 2.88Å; D22-E24 PolarHBondContact O-N 3.15Å; D22-E24 VanDerWaalsContact O-N 3.15Å |
| 23 | K | 44.3 | Very low | 39.9 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 65% | 0.652 | 79% | 0.793 | S | S | * | * | | | trans | -80.5 | 95.6 | 173.3 | -68.7 | -160.5 | 175.7 | 168 | 0 | 111.3 | E21 A25 | E21-K23 VanDerWaalsContact C-N 3.32Å; E21-K23 HydrophobicContact CB-CG 4.02Å; E21-K23 PolarHBondContact O-N 2.92Å; E21-K23 IonicContact OE1-NZ 3.72Å; E21-K23 WeakPolarHBondContact OE2-CE 3.41Å; E21-K23 IonicContact OE2-NZ 2.79Å; E21-K23 PolarHBondContact OE2-NZ 3.27Å; K23-A25 PolarHBondContact O-N 2.87Å |
| 24 | E | 32.3 | Very low | 39.3 | Very low | 174 Ų | 174 | 144.3 Ų | 144.3 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | | | trans | 37.2 | 81.4 | 131 | -164.5 | 176.8 | -167.9 | 0 | 0 | 115.7 | D22 | D22-E24 PolarHBondContact O-N 3.15Å; D22-E24 VanDerWaalsContact O-N 3.15Å |
| 25 | A | 37.1 | Very low | 38.7 | Very low | 98 Ų | 98 | 144.6 Ų | 144.6 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | | | trans | -102.1 | 99.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | K23 S27 | K23-A25 PolarHBondContact O-N 2.87Å; A25-S27 PolarHBondContact O-N 2.92Å |
| 26 | T | 36.5 | Very low | 38 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | trans | -65.6 | 117.3 | -175.5 | -35.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 27 | S | 35.6 | Very low | 37.1 | Very low | 114 Ų | 114 | 144.9 Ų | 144.9 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | -138.1 | 140.7 | 163.1 | 69.6 | 0 | 0 | 0 | 0 | 111.6 | A25 | A25-S27 PolarHBondContact O-N 2.92Š|
| 28 | K | 30.4 | Very low | 36.3 | Very low | 203 Ų | 203 | 143.4 Ų | 143.4 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | -86.7 | 128.8 | -154.4 | -64.9 | 166.5 | 178.8 | 172.4 | 0 | 113.7 | | |
| 29 | C | 27.9 | Very low | 35.8 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | | | trans | 56.4 | 120 | 133.5 | -168.5 | 0 | 0 | 0 | 0 | 121 | | |
| 30 | S | 38 | Very low | 35.4 | Very low | 118 Ų | 118 | 142 Ų | 142 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | | | trans | -158.1 | 97.4 | 135.6 | 47.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 31 | N | 33.3 | Very low | 35.6 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | | | trans | 38.8 | 124.3 | 142.7 | -74.4 | -26 | 0 | 0 | 0 | 124.7 | | |
| 32 | V | 31.7 | Very low | 36 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 79% | 0.788 | 79% | 0.787 | S | S | * | * | | | | 66.8 | 115.8 | 125 | 178.4 | 0 | 0 | 0 | 0 | 117.2 | | |
| 33 | K | 35.2 | Very low | 36.3 | Very low | 177 Ų | 177 | 142.3 Ų | 142.3 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | | | | -169.3 | 137.7 | 57.2 | -166.6 | 170.5 | 175.6 | -177.1 | 0 | 112.3 | | |
| 34 | E | 37.9 | Very low | 36 | Very low | 186 Ų | 186 | 143.8 Ų | 143.8 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | | | trans | -82 | 142.8 | 160 | -66.2 | -175 | 141.3 | 0 | 0 | 110.7 | | |
| 35 | E | 34.8 | Very low | 36.6 | Very low | 143 Ų | 143 | 140.9 Ų | 140.9 | 67% | 0.668 | 78% | 0.783 | S | S | * | * | | | | -158.3 | 129.6 | 129.9 | -137.9 | -175.8 | 138.5 | 0 | 0 | 112.1 | K37 | E35-K37 IonicContact OE1-NZ 2.63Å; E35-K37 PolarHBondContact OE1-NZ 3.02Å |
| 36 | S | 37.1 | Very low | 36.8 | Very low | 103 Ų | 103 | 143.6 Ų | 143.6 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | | | trans | -84.8 | 144.3 | 173.6 | 52.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 37 | K | 37.7 | Very low | 37.1 | Very low | 176 Ų | 176 | 143.3 Ų | 143.3 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | | | trans | -158.8 | 141.3 | 155.2 | -103.4 | 129.6 | -170.5 | 171.4 | 0 | 112.2 | E35 | E35-K37 IonicContact OE1-NZ 2.63Å; E35-K37 PolarHBondContact OE1-NZ 3.02Å |
| 38 | N | 35.1 | Very low | 37.6 | Very low | 169 Ų | 169 | 144.7 Ų | 144.7 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | | | trans | -81.6 | 150.4 | -167.5 | -58.6 | -47.7 | 0 | 0 | 0 | 113.4 | | |
| 39 | G | 34.8 | Very low | 38.4 | Very low | 74 Ų | 74 | 145.5 Ų | 145.5 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | | | trans | -156 | 139.7 | 169 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 40 | L | 37.5 | Very low | 39.2 | Very low | 167 Ų | 167 | 147.8 Ų | 147.8 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | | | trans | -98.1 | 143.8 | -161.9 | -67.1 | 81.4 | 0 | 0 | 0 | 114.9 | | |
| 41 | H | 40.4 | Very low | 39.7 | Very low | 146 Ų | 146 | 148.7 Ų | 148.7 | 68% | 0.676 | 78% | 0.779 | S | S | * | * | | | trans | 74.7 | 155.9 | 146.5 | -140.4 | -125.1 | 0 | 0 | 0 | 116.2 | K43 | H41-K43 VanDerWaalsContact NE2-CE 3.27Å; H41-K43 WeakPolarHBondContact NE2-CE 3.42Å; H41-K43 WeakPolarHBondContact NE2-CG 3.16Å |
| 42 | P | 45.2 | Very low | 40.4 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | cis | -137.3 | -180 | 33.6 | 40.3 | -18.3 | 0 | 0 | 0 | 119.9 | | |
| 43 | K | 38.7 | Very low | 41.3 | Very low | 168 Ų | 168 | 148.1 Ų | 148.1 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | | | trans | -78.4 | 164.5 | -169.8 | -47.2 | -163.9 | 178.1 | -176.7 | 0 | 115.4 | H41 | H41-K43 VanDerWaalsContact NE2-CE 3.27Å; H41-K43 WeakPolarHBondContact NE2-CE 3.42Å; H41-K43 WeakPolarHBondContact NE2-CG 3.16Å |
| 44 | H | 39.4 | Very low | 42 | Very low | 182 Ų | 182 | 145.4 Ų | 145.4 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | | | trans | -44.4 | 157.2 | 169 | -53.8 | -77.2 | 0 | 0 | 0 | 115.3 | | |
| 45 | P | 45 | Very low | 42.7 | Very low | 113 Ų | 113 | 145 Ų | 145 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | | -142 | 144.5 | 107.1 | 36.3 | -22.8 | 0 | 0 | 0 | 117.4 | | |
| 46 | L | 40.4 | Very low | 43.3 | Very low | 155 Ų | 155 | 145.1 Ų | 145.1 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | trans | 63 | 120.1 | 135.2 | -65 | 167.8 | 0 | 0 | 0 | 123.3 | | |
| 47 | T | 42.2 | Very low | 43.8 | Very low | 119 Ų | 119 | 147.5 Ų | 147.5 | 73% | 0.73 | 79% | 0.794 | S | S | * | * | | | trans | 71.3 | 100.8 | 130.1 | -51.2 | 0 | 0 | 0 | 0 | 120.5 | | |
| 48 | T | 46.2 | Very low | 44.6 | Very low | 143 Ų | 143 | 146.8 Ų | 146.8 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | | | trans | -140.6 | 129.5 | 133.6 | -26.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 49 | R | 48.3 | Very low | 45.5 | Very low | 221 Ų | 221 | 143.2 Ų | 143.2 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | | | trans | -102.9 | 122 | 177.7 | -175.9 | -165.4 | -162.9 | -154 | 8.1 | 108.7 | | |
| 50 | L | 45 | Very low | 46.6 | Very low | 156 Ų | 156 | 145.4 Ų | 145.4 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | | | trans | -168.9 | 97.8 | 164.1 | -96.9 | 164.6 | 0 | 0 | 0 | 106.2 | | |
| 51 | M | 47.6 | Very low | 47.4 | Very low | 137 Ų | 137 | 145.6 Ų | 145.6 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | | | | 65.3 | 132.9 | 96.4 | -71.8 | -64.7 | 101.2 | 0 | 0 | 115.3 | T53 | M51-T53 PolarHBondContact O-N 2.82Š|
| 52 | P | 47.5 | Very low | 48 | Very low | 112 Ų | 112 | 145.6 Ų | 145.6 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -61 | 131.2 | -177 | -21.3 | 32.6 | 0 | 0 | 0 | 112.5 | T54 | P52-T54 PolarHBondContact O-N 2.92Å; P52-T54 VanDerWaalsContact O-N 3.09Å |
| 53 | T | 51.5 | Low | 48.5 | Very low | 144 Ų | 144 | 146.6 Ų | 146.6 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | trans | -60.2 | 113.7 | 174.4 | -55.2 | 0 | 0 | 0 | 0 | 110 | M51 | M51-T53 PolarHBondContact O-N 2.82Š|
| 54 | T | 50.4 | Low | 49.4 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | | | trans | -61.2 | 143.5 | 179.4 | 44.2 | 0 | 0 | 0 | 0 | 112 | P52 | P52-T54 PolarHBondContact O-N 2.92Å; P52-T54 VanDerWaalsContact O-N 3.09Å |
| 55 | H | 50.8 | Low | 50.1 | Low | 177 Ų | 177 | 142.4 Ų | 142.4 | 82% | 0.819 | 79% | 0.786 | S | S | * | * | | | trans | -28.3 | 135.6 | 174.2 | -55.2 | -82.7 | 0 | 0 | 0 | 115.5 | L57 | H55-L57 PolarHBondContact O-N 3.15Å; H55-L57 VanDerWaalsContact O-N 3.16Å |
| 56 | V | 48.7 | Very low | 50.3 | Low | 146 Ų | 146 | 146.5 Ų | 146.5 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | | | trans | -48.7 | 120.2 | 173.9 | 177.8 | 0 | 0 | 0 | 0 | 110 | N58 | V56-N58 PolarHBondContact O-N 2.96Š|
| 57 | L | 47.9 | Very low | 50.6 | Low | 154 Ų | 154 | 143.1 Ų | 143.1 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | | | trans | -63.9 | 130.6 | 178 | -65.8 | 166.5 | 0 | 0 | 0 | 109.4 | H55 A59 | H55-L57 PolarHBondContact O-N 3.15Å; H55-L57 VanDerWaalsContact O-N 3.16Å; L57-A59 PolarHBondContact O-N 3.21Å |
| 58 | N | 53.9 | Low | 51.2 | Low | 161 Ų | 161 | 149.1 Ų | 149.1 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | | | trans | -60.8 | 105.1 | 169.1 | -104 | -15.2 | 0 | 0 | 0 | 108.9 | V56 T60 | V56-N58 PolarHBondContact O-N 2.96Å; N58-T60 PolarHBondContact O-N 2.82Å |
| 59 | A | 53.7 | Low | 51.5 | Low | 93 Ų | 93 | 150.3 Ų | 150.3 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | -74.4 | 72.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | L57 E61 | L57-A59 PolarHBondContact O-N 3.21Å; A59-E61 VanDerWaalsContact C-N 3.28Å; A59-E61 PolarHBondContact O-N 2.81Å; A59-E61 VanDerWaalsContact O-N 3.11Å |
| 60 | T | 57.9 | Low | 51.6 | Low | 121 Ų | 121 | 145.9 Ų | 145.9 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | | | trans | -77.5 | 86.2 | 161.3 | -55.7 | 0 | 0 | 0 | 0 | 107.4 | N58 N62 | N58-T60 PolarHBondContact O-N 2.82Å; T60-N62 PolarHBondContact O-N 2.96Å |
| 61 | E | 55.7 | Low | 51.9 | Low | 171 Ų | 171 | 144.9 Ų | 144.9 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | | | trans | -60.7 | 104.2 | 171.7 | -74.8 | -166.1 | 144 | 0 | 0 | 109.7 | A59 I63 | A59-E61 VanDerWaalsContact C-N 3.28Å; A59-E61 PolarHBondContact O-N 2.81Å; A59-E61 VanDerWaalsContact O-N 3.11Å; E61-I63 PolarHBondContact O-N 3.15Å; E61-I63 VanDerWaalsContact O-N 3.15Å |
| 62 | N | 52.1 | Low | 52.1 | Low | 145 Ų | 145 | 143.5 Ų | 143.5 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | | | trans | -83.5 | 91.3 | -179.4 | -163.7 | -3.4 | 0 | 0 | 0 | 108.1 | T60 S64 | T60-N62 PolarHBondContact O-N 2.96Å; N62-S64 VanDerWaalsContact C-N 3.27Å; N62-S64 PolarHBondContact O-N 3.01Å |
| 63 | I | 54.9 | Low | 52.7 | Low | 141 Ų | 141 | 143.3 Ų | 143.3 | 72% | 0.723 | 79% | 0.791 | S | S | * | * | | | trans | -67.5 | 86.9 | -179.1 | -51.9 | 176.4 | 0 | 0 | 0 | 109.2 | E61 M65 | E61-I63 PolarHBondContact O-N 3.15Å; E61-I63 VanDerWaalsContact O-N 3.15Å; I63-M65 VanDerWaalsContact C-N 3.33Å; I63-M65 PolarHBondContact O-N 3.2Å |
| 64 | S | 59.3 | Low | 52 | Low | 106 Ų | 106 | 144.4 Ų | 144.4 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | | | trans | -73.1 | 86.7 | 175.9 | 66.9 | 0 | 0 | 0 | 0 | 110.6 | N62 K66 | N62-S64 VanDerWaalsContact C-N 3.27Å; N62-S64 PolarHBondContact O-N 3.01Å; S64-K66 PolarHBondContact O-N 2.97Å |
| 65 | M | 52.3 | Low | 52.1 | Low | 155 Ų | 155 | 146.5 Ų | 146.5 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | | | trans | -66.4 | 95.2 | 169.7 | 46.6 | 174.7 | 58 | 0 | 0 | 110.3 | I63 C67 | I63-M65 VanDerWaalsContact C-N 3.33Å; I63-M65 PolarHBondContact O-N 3.2Å; M65-C67 VanDerWaalsContact C-N 3.3Å; M65-C67 PolarHBondContact O-N 3.02Å |
| 66 | K | 49.3 | Very low | 52.2 | Low | 199 Ų | 199 | 145 Ų | 145 | 87% | 0.865 | 79% | 0.793 | S | S | * | * | | | trans | -72.9 | 85.9 | 163.3 | -93.5 | -159.1 | 173.2 | -174.4 | 0 | 109.5 | S64 R68 | S64-K66 PolarHBondContact O-N 2.97Å; K66-R68 PolarHBondContact O-N 3.42Å; K66-R68 VanDerWaalsContact O-N 3.15Å |
| 67 | C | 48.4 | Very low | 52.7 | Low | 84 Ų | 84 | 143.5 Ų | 143.5 | 57% | 0.568 | 78% | 0.784 | S | S | * | * | | | trans | -62.4 | 112.9 | 158.3 | -64.6 | 0 | 0 | 0 | 0 | 108.4 | M65 E69 | M65-C67 VanDerWaalsContact C-N 3.3Å; M65-C67 PolarHBondContact O-N 3.02Å; C67-E69 VanDerWaalsContact C-N 3.34Å; C67-E69 HydrophobicContact CB-CG 4.25Å; C67-E69 PolarHBondContact O-N 3.37Å |
| 68 | R | 52.9 | Low | 53.2 | Low | 246 Ų | 246 | 143.7 Ų | 143.7 | 93% | 0.928 | 78% | 0.781 | S | S | * | * | | | trans | -81.3 | 87.4 | 162.9 | -94.1 | -165.8 | 174.3 | -130.3 | 5.6 | 107.7 | K66 | K66-R68 PolarHBondContact O-N 3.42Å; K66-R68 VanDerWaalsContact O-N 3.15Å |
| 69 | E | 53.5 | Low | 53.6 | Low | 167 Ų | 167 | 142 Ų | 142 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | | | trans | -90.7 | 120.4 | 171 | -76.6 | 162.3 | 158.1 | 0 | 0 | 109.6 | C67 | C67-E69 VanDerWaalsContact C-N 3.34Å; C67-E69 HydrophobicContact CB-CG 4.25Å; C67-E69 PolarHBondContact O-N 3.37Å |
| 70 | T | 50.3 | Low | 54 | Low | 129 Ų | 129 | 143.6 Ų | 143.6 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | | | trans | -67 | 131.5 | 178.1 | -6.3 | 0 | 0 | 0 | 0 | 109.6 | S72 | T70-S72 PolarHBondContact O-N 3.48Š|
| 71 | P | 52.2 | Low | 54.2 | Low | 135 Ų | 135 | 149.1 Ų | 149.1 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | | | trans | -76.3 | 95.5 | -175.9 | 30.6 | -34.3 | 0 | 0 | 0 | 110.6 | | |
| 72 | S | 51 | Low | 55.1 | Low | 107 Ų | 107 | 150 Ų | 150 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | trans | -132.8 | 111 | 172.3 | -169.3 | 0 | 0 | 0 | 0 | 111.8 | T70 | T70-S72 PolarHBondContact O-N 3.48Š|
| 73 | S | 59 | Low | 55.9 | Low | 108 Ų | 108 | 148.9 Ų | 148.9 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | | | trans | 53.5 | 75.1 | 150.4 | -173.6 | 0 | 0 | 0 | 0 | 118.6 | | |
| 74 | M | 38.3 | Very low | 56.5 | Low | 168 Ų | 168 | 149.4 Ų | 149.4 | 83% | 0.828 | 79% | 0.787 | S | S | * | * | | | trans | -142.1 | 86.8 | 141.8 | -69.7 | -156.8 | 85.1 | 0 | 0 | 110.3 | | |
| 75 | N | 52.5 | Low | 56.8 | Low | 164 Ų | 164 | 152.6 Ų | 152.6 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | | | trans | -96.2 | 153.1 | 162.6 | -85.2 | -55.8 | 0 | 0 | 0 | 110 | | |
| 76 | D | 52.5 | Low | 57.9 | Low | 145 Ų | 145 | 152.6 Ų | 152.6 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | | | trans | 70.4 | 71.5 | 177.8 | -148.9 | 11.7 | 0 | 0 | 0 | 116.9 | | |
| 77 | V | 59.6 | Low | 58.9 | Low | 115 Ų | 115 | 145.9 Ų | 145.9 | 70% | 0.697 | 77% | 0.771 | S | S | * | * | | | trans | -118 | 116.3 | 154.7 | 178.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 78 | Q | 58.6 | Low | 60.1 | Low | 157 Ų | 157 | 147.8 Ų | 147.8 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | | | trans | -58.1 | 146.3 | 179.7 | -69.8 | -157.1 | -9.5 | 0 | 0 | 112 | V80 | Q78-V80 PolarHBondContact O-N 2.96Š|
| 79 | P | 61.6 | Low | 61.2 | Low | 125 Ų | 125 | 145.6 Ų | 145.6 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | | | trans | -66.7 | 95.9 | 178.2 | 27.4 | -34.4 | 0 | 0 | 0 | 110.5 | R81 | P79-R81 PolarHBondContact O-N 3.31Š|
| 80 | V | 61.3 | Low | 62.3 | Low | 127 Ų | 127 | 147 Ų | 147 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | | | trans | -53 | 114.8 | 176.6 | 175 | 0 | 0 | 0 | 0 | 109 | Q78 K82 | Q78-V80 PolarHBondContact O-N 2.96Å; V80-K82 PolarHBondContact O-N 3.45Å |
| 81 | R | 63.7 | Low | 63.8 | Low | 237 Ų | 237 | 151.7 Ų | 151.7 | 89% | 0.894 | 78% | 0.783 | S | S | * | * | | | trans | -63.2 | 101.2 | -171.1 | -171.1 | 173.3 | 176.7 | -179.2 | -1.5 | 109.8 | P79 | P79-R81 PolarHBondContact O-N 3.31Š|
| 82 | K | 73 | Confident | 65.1 | Low | 190 Ų | 190 | 154.2 Ų | 154.2 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | | | trans | -49.2 | 129.8 | -176 | -68.5 | 177.7 | -179.8 | 176.5 | 0 | 111 | V80 H84 | V80-K82 PolarHBondContact O-N 3.45Å; K82-H84 PolarHBondContact O-N 3.03Å |
| 83 | P | 69.3 | Low | 66 | Low | 122 Ų | 122 | 160.9 Ų | 160.9 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | | | trans | -55.5 | 128.7 | 171.6 | -24.4 | 33.9 | 0 | 0 | 0 | 109.8 | F85 | P83-F85 VanDerWaalsContact C-N 3.32Å; P83-F85 PolarHBondContact O-N 3.02Å |
| 84 | H | 67.8 | Low | 66.9 | Low | 152 Ų | 152 | 162.7 Ų | 162.7 | 70% | 0.704 | 79% | 0.789 | S | S | * | * | | | trans | -74.3 | 87.6 | -175.2 | -167.1 | -1.2 | 0 | 0 | 0 | 109.7 | K82 K86 | K82-H84 PolarHBondContact O-N 3.03Å; H84-K86 PolarHBondContact NE2-NZ 2.9Å; H84-K86 VanDerWaalsContact NE2-NZ 3.15Å; H84-K86 PolarHBondContact O-N 3.23Å |
| 85 | F | 66 | Low | 68.3 | Low | 173 Ų | 173 | 164.2 Ų | 164.2 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | | | trans | -61.3 | 98.2 | -178.2 | -171.5 | -100.8 | 0 | 0 | 0 | 110.5 | P83 G87 | P83-F85 VanDerWaalsContact C-N 3.32Å; P83-F85 PolarHBondContact O-N 3.02Å; F85-G87 PolarHBondContact O-N 2.8Å; F85-G87 VanDerWaalsContact O-N 3.15Å |
| 86 | K | 74.9 | Confident | 69.3 | Low | 154 Ų | 154 | 163.4 Ų | 163.4 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | | | trans | -73.7 | 102 | 168.9 | -61.3 | -57.5 | -171.9 | -172.2 | 0 | 106.8 | H84 V88 | H84-K86 PolarHBondContact NE2-NZ 2.9Å; H84-K86 VanDerWaalsContact NE2-NZ 3.15Å; H84-K86 PolarHBondContact O-N 3.23Å; K86-V88 PolarHBondContact O-N 3.47Å |
| 87 | G | 70.5 | Confident | 70.4 | Confident | 58 Ų | 58 | 164.1 Ų | 164.1 | 60% | 0.598 | 78% | 0.781 | S | S | * | * | | | trans | -53.5 | 121.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F85 K89 | F85-G87 PolarHBondContact O-N 2.8Å; F85-G87 VanDerWaalsContact O-N 3.15Å; G87-K89 PolarHBondContact O-N 3.15Å; G87-K89 VanDerWaalsContact O-N 3.15Å |
| 88 | V | 72.8 | Confident | 70.8 | Confident | 125 Ų | 125 | 162.7 Ų | 162.7 | 76% | 0.758 | 77% | 0.774 | S | S | * | * | | | trans | -68.9 | 111.9 | 178.4 | 179.4 | 0 | 0 | 0 | 0 | 109 | K86 K90 | K86-V88 PolarHBondContact O-N 3.47Å; V88-K90 PolarHBondContact O-N 3.26Å |
| 89 | K | 77.8 | Confident | 71.3 | Confident | 200 Ų | 200 | 163.8 Ų | 163.8 | 87% | 0.87 | 78% | 0.777 | S | S | * | * | | | trans | -63.7 | 104.9 | 176.1 | -174.7 | 176.1 | -177.5 | 176.7 | 0 | 109.5 | G87 R91 | G87-K89 PolarHBondContact O-N 3.15Å; G87-K89 VanDerWaalsContact O-N 3.15Å; K89-R91 PolarHBondContact O-N 3.07Å |
| 90 | K | 76.8 | Confident | 71.5 | Confident | 197 Ų | 197 | 164.7 Ų | 164.7 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 123.7 | 172 | -93.6 | -171.7 | 174.1 | -179.7 | 0 | 109.4 | V88 K92 | V88-K90 PolarHBondContact O-N 3.26Å; K90-K92 PolarHBondContact O-N 3.3Å |
| 91 | R | 80.1 | Confident | 71.4 | Confident | 226 Ų | 226 | 167.3 Ų | 167.3 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 124.1 | 169.2 | -175.5 | 173.4 | -179 | 166.9 | -0.4 | 108 | K89 W93 | K89-R91 PolarHBondContact O-N 3.07Å; R91-W93 PolarHBondContact O-N 2.81Å |
| 92 | K | 80.3 | Confident | 71.3 | Confident | 188 Ų | 188 | 162.8 Ų | 162.8 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 126.9 | 167.8 | -67.9 | -173.4 | 176.2 | -174 | 0 | 107.6 | K90 | K90-K92 PolarHBondContact O-N 3.3Š|
| 93 | W | 70.7 | Confident | 70.4 | Confident | 248 Ų | 248 | 156.8 Ų | 156.8 | 94% | 0.939 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 126.4 | 168 | -68.7 | 93.2 | 0 | 0 | 0 | 107.7 | R91 | R91-W93 PolarHBondContact O-N 2.81Š|
| 94 | I | 77.3 | Confident | 69.5 | Low | 145 Ų | 145 | 157 Ų | 157 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 123.7 | 167.3 | -59.9 | 174 | 0 | 0 | 0 | 105.1 | D96 | I94-D96 PolarHBondContact O-N 2.73Š|
| 95 | Y | 66.9 | Low | 68.8 | Low | 201 Ų | 201 | 153 Ų | 153 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | | | trans | -83.5 | 106.8 | 170 | -165.6 | -88.6 | 0 | 0 | 0 | 106.6 | E97 | Y95-E97 PolarHBondContact O-N 3.49Š|
| 96 | D | 74 | Confident | 68.3 | Low | 146 Ų | 146 | 152.3 Ų | 152.3 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | | | trans | -70 | 114.1 | 166.1 | -85.9 | -29 | 0 | 0 | 0 | 107.4 | I94 | I94-D96 PolarHBondContact O-N 2.73Š|
| 97 | E | 76.5 | Confident | 67.1 | Low | 160 Ų | 160 | 156.5 Ų | 156.5 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | trans | -55.9 | 131.7 | 172.6 | -172.3 | -179.5 | 178.7 | 0 | 0 | 109.1 | Y95 K99 | Y95-E97 PolarHBondContact O-N 3.49Å; E97-K99 PolarHBondContact O-N 2.96Å |
| 98 | P | 67.1 | Low | 66.2 | Low | 85 Ų | 85 | 164.3 Ų | 164.3 | 55% | 0.552 | 80% | 0.798 | S | S | * | * | | | trans | -62.2 | 105.9 | -178.9 | 24.6 | -33.4 | 0 | 0 | 0 | 109.4 | N100 | P98-N100 VanDerWaalsContact C-N 3.32Å; P98-N100 PolarHBondContact O-N 3.25Å; P98-N100 PolarHBondContact O-ND2 2.92Å |
| 99 | K | 69.7 | Low | 65 | Low | 181 Ų | 181 | 164.4 Ų | 164.4 | 79% | 0.787 | 80% | 0.798 | S | S | * | * | | | trans | -65.7 | 89.6 | -176 | -160.5 | 170 | -169.4 | 171.4 | 0 | 109.7 | E97 F101 | E97-K99 PolarHBondContact O-N 2.96Å; K99-F101 VanDerWaalsContact O-CD2 3.28Å; K99-F101 WeakPolarHBondContact O-CD2 3.16Å; K99-F101 PolarHBondContact O-N 2.86Å |
| 100 | N | 64.1 | Low | 63.9 | Low | 143 Ų | 143 | 163.2 Ų | 163.2 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | | | trans | -58.1 | 106 | 174.1 | -74.4 | -61.5 | 0 | 0 | 0 | 108.4 | P98 P102 | P98-N100 VanDerWaalsContact C-N 3.32Å; P98-N100 PolarHBondContact O-N 3.25Å; P98-N100 PolarHBondContact O-ND2 2.92Å; N100-P102 WeakPolarHBondContact O-CD 3.49Å |
| 101 | F | 59.9 | Low | 62.6 | Low | 182 Ų | 182 | 160.8 Ų | 160.8 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | | | trans | -71 | 114.9 | 176.8 | -67 | -91.4 | 0 | 0 | 0 | 109.2 | K99 G103 | K99-F101 VanDerWaalsContact O-CD2 3.28Å; K99-F101 WeakPolarHBondContact O-CD2 3.16Å; K99-F101 PolarHBondContact O-N 2.86Å; F101-G103 PolarHBondContact O-N 2.94Å |
| 102 | P | 62.7 | Low | 61.2 | Low | 142 Ų | 142 | 155.5 Ų | 155.5 | 92% | 0.922 | 79% | 0.785 | S | S | * | * | | | trans | -78.2 | 68.5 | 167 | 34.6 | -31.9 | 0 | 0 | 0 | 107.9 | N100 | N100-P102 WeakPolarHBondContact O-CD 3.49Š|
| 103 | G | 53.2 | Low | 59.8 | Low | 64 Ų | 64 | 152.4 Ų | 152.4 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | | | trans | -137.9 | 15.5 | -157.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | F101 | F101-G103 PolarHBondContact O-N 2.94Š|
| 104 | S | 49.5 | Very low | 59.4 | Low | 126 Ų | 126 | 146.2 Ų | 146.2 | 88% | 0.881 | 77% | 0.77 | S | S | * | * | | | trans | -97.8 | 85.3 | 167.1 | -170.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 105 | G | 54.9 | Low | 58.4 | Low | 68 Ų | 68 | 147.7 Ų | 147.7 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | | | trans | -67.7 | 130.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 106 | M | 54.2 | Low | 57.6 | Low | 159 Ų | 159 | 145.4 Ų | 145.4 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | | | trans | 64.4 | 70.7 | 148.6 | -151.9 | 80.5 | 75.1 | 0 | 0 | 118.5 | | |
| 107 | R | 50.4 | Low | 56.6 | Low | 243 Ų | 243 | 146 Ų | 146 | 92% | 0.917 | 76% | 0.762 | S | S | * | * | | | trans | -137.9 | 99.6 | 135.9 | -99.5 | -178.2 | -173.4 | -168.1 | 1 | 110.4 | V109 | R107-V109 PolarHBondContact O-N 2.79Š|
| 108 | R | 51.4 | Low | 56 | Low | 221 Ų | 221 | 146 Ų | 146 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | | | trans | -67 | 96.5 | 166.3 | -75.9 | -172.9 | -86.2 | -163.7 | -5 | 108 | H110 | R108-H110 PolarHBondContact O-N 2.95Å; R108-H110 VanDerWaalsContact O-N 3.16Å |
| 109 | V | 48 | Very low | 55.3 | Low | 127 Ų | 127 | 147.4 Ų | 147.4 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | | | trans | -59.9 | 116.4 | 161.2 | 176.8 | 0 | 0 | 0 | 0 | 106 | R107 I111 | R107-V109 PolarHBondContact O-N 2.79Å; V109-I111 PolarHBondContact O-N 3.23Å |
| 110 | H | 54.8 | Low | 54.5 | Low | 176 Ų | 176 | 148.2 Ų | 148.2 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | | | trans | -62.3 | 107.5 | 177.9 | -108.6 | -95.4 | 0 | 0 | 0 | 108.6 | R108 P112 | R108-H110 PolarHBondContact O-N 2.95Å; R108-H110 VanDerWaalsContact O-N 3.16Å; H110-P112 VanDerWaalsContact O-CD 3.24Å; H110-P112 WeakPolarHBondContact O-CD 3.28Å |
| 111 | I | 48.5 | Very low | 54.3 | Low | 146 Ų | 146 | 149.7 Ų | 149.7 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | | | trans | -73.5 | 113.6 | 163.1 | -60 | 169.1 | 0 | 0 | 0 | 105.6 | V109 N113 | V109-I111 PolarHBondContact O-N 3.23Å; I111-N113 PolarHBondContact O-N 2.85Å; I111-N113 VanDerWaalsContact O-N 3.07Å |
| 112 | P | 51.3 | Low | 54.2 | Low | 114 Ų | 114 | 148.7 Ų | 148.7 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | | | trans | -68.5 | 109.6 | 172.6 | 28.3 | -31.8 | 0 | 0 | 0 | 108.2 | H110 P114 | H110-P112 VanDerWaalsContact O-CD 3.24Å; H110-P112 WeakPolarHBondContact O-CD 3.28Å; P112-P114 WeakPolarHBondContact O-CD 3.18Å |
| 113 | N | 50.4 | Low | 54.1 | Low | 123 Ų | 123 | 148.2 Ų | 148.2 | 66% | 0.658 | 76% | 0.761 | S | S | * | * | | | trans | -59.7 | 117.1 | 178.3 | 176 | 13 | 0 | 0 | 0 | 110.3 | I111 K115 | I111-N113 PolarHBondContact O-N 2.85Å; I111-N113 VanDerWaalsContact O-N 3.07Å; N113-K115 PolarHBondContact O-N 3.49Å; N113-K115 WeakPolarHBondContact OD1-CB 3.24Å |
| 114 | P | 61.6 | Low | 54.4 | Low | 119 Ų | 119 | 151 Ų | 151 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -82 | 58.2 | -176 | 35.3 | -36.3 | 0 | 0 | 0 | 111.1 | P112 | P112-P114 WeakPolarHBondContact O-CD 3.18Š|
| 115 | K | 56.3 | Low | 55.2 | Low | 175 Ų | 175 | 152.8 Ų | 152.8 | 76% | 0.761 | 75% | 0.752 | S | S | * | * | | | trans | -159.7 | 42.3 | -171.2 | -115.7 | 163.3 | -157.1 | -178.8 | 0 | 117.9 | N113 | N113-K115 PolarHBondContact O-N 3.49Å; N113-K115 WeakPolarHBondContact OD1-CB 3.24Å |
| 116 | H | 51 | Low | 55.4 | Low | 154 Ų | 154 | 155.9 Ų | 155.9 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -153.7 | 129.6 | 152.5 | -136.7 | 41.4 | 0 | 0 | 0 | 117.1 | | |
| 117 | K | 52.3 | Low | 55.7 | Low | 157 Ų | 157 | 159.6 Ų | 159.6 | 68% | 0.683 | 76% | 0.758 | S | S | * | * | | | trans | 45.2 | 106.8 | 154.9 | -70.7 | 175.1 | -178.5 | 148.4 | 0 | 119.1 | S119 | K117-S119 PolarHBondContact O-N 2.94Š|
| 118 | M | 64 | Low | 56.1 | Low | 160 Ų | 160 | 154.2 Ų | 154.2 | 79% | 0.788 | 75% | 0.747 | S | S | * | * | | | trans | -23.1 | 98.3 | 149.4 | 60.1 | -144.6 | -175.6 | 0 | 0 | 115.3 | Y120 | M118-Y120 HydrophobicContact CB-CD2 4.05Å; M118-Y120 HydrophobicContact CB-CE2 3.9Å; M118-Y120 HydrophobicContact CG-CD2 4.17Å; M118-Y120 HydrophobicContact CG-CE2 4.1Å; M118-Y120 PolarHBondContact O-N 2.79Å; M118-Y120 HydrophobicContact SD-CE2 4.47Å |
| 119 | S | 53.6 | Low | 56.6 | Low | 116 Ų | 116 | 147.6 Ų | 147.6 | 81% | 0.811 | 74% | 0.74 | S | S | * | * | | | trans | -83.5 | 82.4 | 166.8 | -174.6 | 0 | 0 | 0 | 0 | 109.4 | K117 H121 | K117-S119 PolarHBondContact O-N 2.94Å; S119-H121 PolarHBondContact O-N 3.11Å; S119-H121 VanDerWaalsContact O-N 3.09Å |
| 120 | Y | 52.4 | Low | 57.2 | Low | 197 Ų | 197 | 150.1 Ų | 150.1 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | | | trans | -67.9 | 102.7 | 162.8 | -75 | -84 | 0 | 0 | 0 | 107.8 | M118 H122 | M118-Y120 HydrophobicContact CB-CD2 4.05Å; M118-Y120 HydrophobicContact CB-CE2 3.9Å; M118-Y120 HydrophobicContact CG-CD2 4.17Å; M118-Y120 HydrophobicContact CG-CE2 4.1Å; M118-Y120 PolarHBondContact O-N 2.79Å; M118-Y120 HydrophobicContact SD-CE2 4.47Å; Y120-H122 VanDerWaalsContact C-N 3.27Å; Y120-H122 PolarHBondContact O-N 3.03Å |
| 121 | H | 58.9 | Low | 57.5 | Low | 174 Ų | 174 | 149.1 Ų | 149.1 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | | | trans | -70.5 | 88.8 | 174.1 | -172.2 | 22.9 | 0 | 0 | 0 | 109.1 | S119 H123 | S119-H121 PolarHBondContact O-N 3.11Å; S119-H121 VanDerWaalsContact O-N 3.09Å; H121-H123 PolarHBondContact O-N 3.15Å |
| 122 | H | 58 | Low | 57.7 | Low | 161 Ų | 161 | 146.2 Ų | 146.2 | 75% | 0.745 | 74% | 0.742 | S | S | * | * | | | trans | -67.9 | 98.9 | -179.8 | -169.1 | -65.7 | 0 | 0 | 0 | 109.6 | Y120 N124 | Y120-H122 VanDerWaalsContact C-N 3.27Å; Y120-H122 PolarHBondContact O-N 3.03Å; H122-N124 VanDerWaalsContact C-N 3.27Å; H122-N124 PolarHBondContact O-N 2.94Å |
| 123 | H | 61.3 | Low | 57.8 | Low | 133 Ų | 133 | 146.7 Ų | 146.7 | 62% | 0.616 | 75% | 0.748 | S | S | * | * | | | trans | -73.2 | 83.1 | 177.6 | -165.3 | 0.3 | 0 | 0 | 0 | 110.7 | H121 K125 | H121-H123 PolarHBondContact O-N 3.15Å; H123-K125 VanDerWaalsContact C-N 3.33Å; H123-K125 WeakPolarHBondContact CE1-CE 3.49Å; H123-K125 WeakPolarHBondContact CE1-CG 3.35Å; H123-K125 WeakPolarHBondContact NE2-CE 3Å; H123-K125 PolarHBondContact O-N 3.03Å |
| 124 | N | 59.3 | Low | 57.6 | Low | 122 Ų | 122 | 151.5 Ų | 151.5 | 65% | 0.652 | 76% | 0.759 | S | S | * | * | | | trans | -70.9 | 89 | 165.6 | -178.2 | 5.2 | 0 | 0 | 0 | 109.1 | H122 N126 | H122-N124 VanDerWaalsContact C-N 3.27Å; H122-N124 PolarHBondContact O-N 2.94Å; N124-N126 PolarHBondContact OD1-N 2.87Å |
| 125 | K | 66.8 | Low | 57.4 | Low | 164 Ų | 164 | 150.4 Ų | 150.4 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | | | trans | -83 | 115 | 151.5 | -65.9 | -159.9 | -177.2 | -173.2 | 0 | 106.3 | H123 | H123-K125 VanDerWaalsContact C-N 3.33Å; H123-K125 WeakPolarHBondContact CE1-CE 3.49Å; H123-K125 WeakPolarHBondContact CE1-CG 3.35Å; H123-K125 WeakPolarHBondContact NE2-CE 3Å; H123-K125 PolarHBondContact O-N 3.03Å |
| 126 | N | 58.7 | Low | 57.1 | Low | 132 Ų | 132 | 150.2 Ų | 150.2 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | | | trans | -63.3 | 157 | -178.5 | 74 | 34.5 | 0 | 0 | 0 | 111 | N124 N128 | N124-N126 PolarHBondContact OD1-N 2.87Å; N126-N128 PolarHBondContact O-N 2.95Å |
| 127 | R | 61.6 | Low | 56.8 | Low | 237 Ų | 237 | 147.7 Ų | 147.7 | 89% | 0.894 | 76% | 0.757 | S | S | * | * | | | trans | -73.8 | 118.3 | 169.7 | -69.8 | 171.8 | 170.2 | 167.1 | -5.9 | 108.5 | | |
| 128 | N | 58.1 | Low | 57.1 | Low | 130 Ų | 130 | 145.9 Ų | 145.9 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | | | trans | -110.8 | 98.6 | 147 | -175.1 | -2.1 | 0 | 0 | 0 | 107.1 | N126 | N126-N128 PolarHBondContact O-N 2.95Š|
| 129 | A | 61.3 | Low | 56.4 | Low | 83 Ų | 83 | 149.7 Ų | 149.7 | 69% | 0.686 | 77% | 0.767 | S | S | * | * | | | trans | -128.9 | 26.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 130 | E | 61.3 | Low | 56 | Low | 179 Ų | 179 | 151.2 Ų | 151.2 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | | | trans | -120.8 | 23.9 | -169.1 | -65.6 | -176.2 | 176.1 | 0 | 0 | 113.3 | | |
| 131 | N | 59.6 | Low | 55.5 | Low | 155 Ų | 155 | 146.9 Ų | 146.9 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | | | trans | -126.2 | 64.1 | 165.2 | -86.2 | -66.5 | 0 | 0 | 0 | 110.8 | | |
| 132 | A | 54.3 | Low | 54.9 | Low | 86 Ų | 86 | 143.6 Ų | 143.6 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | | | trans | -134.1 | 87.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 133 | S | 53.8 | Low | 54.5 | Low | 123 Ų | 123 | 146.7 Ų | 146.7 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | | | trans | 171.1 | 116.3 | 145.6 | 37.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 134 | Y | 45.3 | Very low | 53.6 | Low | 225 Ų | 225 | 147 Ų | 147 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | | | trans | -160.8 | 130.5 | 135.3 | -165 | -104.4 | 0 | 0 | 0 | 112.2 | | |
| 135 | T | 56.3 | Low | 53.1 | Low | 96 Ų | 96 | 147.2 Ų | 147.2 | 59% | 0.589 | 79% | 0.785 | S | S | * | * | | | trans | -153.8 | 155.6 | -171.4 | 33.1 | 0 | 0 | 0 | 0 | 110 | | |
| 136 | H | 50.6 | Low | 52 | Low | 170 Ų | 170 | 146.2 Ų | 146.2 | 79% | 0.787 | 79% | 0.792 | S | S | * | * | | | cis | -133.7 | 162.1 | 2.5 | -64.2 | -93.9 | 0 | 0 | 0 | 110.6 | | |
| 137 | A | 45.2 | Very low | 51.6 | Low | 102 Ų | 102 | 147.1 Ų | 147.1 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | | | trans | -149.8 | 102.5 | 154.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 138 | P | 57.6 | Low | 50.9 | Low | 118 Ų | 118 | 144.1 Ų | 144.1 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | | | trans | -94.8 | 117.9 | 164.3 | 33.1 | -25.3 | 0 | 0 | 0 | 110.2 | | |
| 139 | R | 49.4 | Very low | 50.7 | Low | 240 Ų | 240 | 142 Ų | 142 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | | | trans | -142.7 | 114.3 | 161.6 | -79.3 | -157.7 | 173.7 | -172.6 | -1.2 | 112.3 | | |
| 140 | D | 45 | Very low | 50.6 | Low | 149 Ų | 149 | 144.3 Ų | 144.3 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | | | trans | 6.6 | 118 | 151.5 | -54.4 | -46.8 | 0 | 0 | 0 | 119 | | |
| 141 | A | 44 | Very low | 50.1 | Low | 105 Ų | 105 | 141.3 Ų | 141.3 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | | | trans | -130.9 | 111.8 | 143.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 142 | V | 45.9 | Very low | 49.4 | Very low | 105 Ų | 105 | 145.2 Ų | 145.2 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | | | trans | -93.4 | 133.9 | -170.8 | 163.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 143 | R | 50 | Low | 49.1 | Very low | 227 Ų | 227 | 146.8 Ų | 146.8 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | | | trans | 75.7 | 144.8 | 178.4 | -57.6 | 148.1 | -173.8 | 170.7 | 2.1 | 113.6 | | |
| 144 | T | 41.1 | Very low | 49 | Very low | 138 Ų | 138 | 151.1 Ų | 151.1 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | | | cis | -134.3 | 159.4 | 27.9 | 42.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 145 | V | 48.4 | Very low | 49.3 | Very low | 127 Ų | 127 | 146.5 Ų | 146.5 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | | | trans | -91 | 137.4 | 174.2 | 168.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 146 | T | 45.3 | Very low | 48.6 | Very low | 143 Ų | 143 | 147.8 Ų | 147.8 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | | | trans | -149.7 | 127 | 137.9 | 29.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 147 | L | 50.4 | Low | 48.4 | Very low | 151 Ų | 151 | 145.1 Ų | 145.1 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | | | trans | -78.1 | 141.6 | 168.6 | -67.5 | 158.2 | 0 | 0 | 0 | 109.3 | | |
| 148 | N | 46.4 | Very low | 48.3 | Very low | 174 Ų | 174 | 150.3 Ų | 150.3 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | | | trans | -169.3 | 140.8 | 137.6 | -94.5 | -38.5 | 0 | 0 | 0 | 111 | | |
| 149 | A | 54.3 | Low | 48 | Very low | 86 Ų | 86 | 150.3 Ų | 150.3 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | | | trans | -91 | 159.2 | -158.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | P151 | A149-P151 WeakPolarHBondContact O-CD 3.29Š|
| 150 | P | 57.6 | Low | 47.6 | Very low | 132 Ų | 132 | 149.4 Ų | 149.4 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | | | trans | -98.5 | 112.8 | 162.6 | 34.6 | -26.5 | 0 | 0 | 0 | 111.5 | | |
| 151 | P | 51 | Low | 47.9 | Very low | 115 Ų | 115 | 149 Ų | 149 | 75% | 0.747 | 81% | 0.812 | S | S | * | * | | | trans | -116.2 | 128.5 | 155.7 | 34.1 | -24.7 | 0 | 0 | 0 | 110.6 | A149 | A149-P151 WeakPolarHBondContact O-CD 3.29Š|
| 152 | R | 45.6 | Very low | 48.3 | Very low | 237 Ų | 237 | 153.5 Ų | 153.5 | 89% | 0.894 | 81% | 0.812 | S | S | * | * | | | | 163.9 | 92.3 | 109.5 | -167.6 | 173 | -158.7 | 177.6 | 4.8 | 111.4 | R154 | R152-R154 PolarHBondContact O-N 3.41Š|
| 153 | S | 48.2 | Very low | 48.7 | Very low | 120 Ų | 120 | 152.4 Ų | 152.4 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | | | trans | -73.1 | 118.5 | 159.6 | 47.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 154 | R | 50.5 | Low | 48.4 | Very low | 213 Ų | 213 | 146.8 Ų | 146.8 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -165.4 | 126.1 | 148.8 | -130.6 | -175.9 | -166.7 | -170.5 | 4.8 | 112.1 | R152 | R152-R154 PolarHBondContact O-N 3.41Š|
| 155 | P | 52.4 | Low | 49.2 | Very low | 129 Ų | 129 | 146.2 Ų | 146.2 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | | | trans | -84 | 129.2 | 157.8 | 32.8 | -28.1 | 0 | 0 | 0 | 109 | | |
| 156 | T | 41.3 | Very low | 49.5 | Very low | 123 Ų | 123 | 146.5 Ų | 146.5 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | -115.1 | 112 | 169.6 | -60.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 157 | S | 47.9 | Very low | 50.1 | Low | 114 Ų | 114 | 147.9 Ų | 147.9 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | | | trans | -56.1 | 166.1 | 171 | 177 | 0 | 0 | 0 | 0 | 112.9 | | |
| 158 | R | 42.8 | Very low | 50 | Low | 210 Ų | 210 | 149.3 Ų | 149.3 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | | | trans | 92.2 | 86.6 | 168.1 | -163.3 | 177.8 | -75.9 | -165.8 | -5.6 | 116 | | |
| 159 | S | 51.1 | Low | 50.8 | Low | 119 Ų | 119 | 146.2 Ų | 146.2 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 145.4 | 155 | 46.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 160 | Y | 41.4 | Very low | 50.7 | Low | 221 Ų | 221 | 151.3 Ų | 151.3 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 151.5 | -170.2 | -92.9 | -110.6 | 0 | 0 | 0 | 114.1 | | |
| 161 | N | 50.7 | Low | 50.6 | Low | 139 Ų | 139 | 152 Ų | 152 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 138.6 | 175.3 | -173.5 | -11.1 | 0 | 0 | 0 | 111.9 | | |
| 162 | K | 52.3 | Low | 50.9 | Low | 200 Ų | 200 | 153.6 Ų | 153.6 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | | | trans | -132.1 | 113.9 | 159.1 | -73.8 | -65 | -176.1 | 179 | 0 | 108.6 | | |
| 163 | A | 54 | Low | 51.2 | Low | 83 Ų | 83 | 150 Ų | 150 | 69% | 0.686 | 78% | 0.782 | S | S | * | * | | | trans | -77.7 | 130.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | V165 | A163-V165 HydrophobicContact CB-CG2 4.22Š|
| 164 | D | 44.6 | Very low | 51.4 | Low | 109 Ų | 109 | 149.3 Ų | 149.3 | 58% | 0.583 | 78% | 0.776 | S | S | * | * | | | trans | -128.9 | 96.4 | 155.2 | -177.3 | 11.5 | 0 | 0 | 0 | 106.4 | N166 | D164-N166 VanDerWaalsContact C-N 3.26Å; D164-N166 PolarHBondContact OD1-N 3.05Å |
| 165 | V | 56.7 | Low | 51.6 | Low | 126 Ų | 126 | 144.8 Ų | 144.8 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | | | trans | -94.3 | 16.1 | -171.9 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | A163 | A163-V165 HydrophobicContact CB-CG2 4.22Š|
| 166 | N | 55.5 | Low | 51.1 | Low | 133 Ų | 133 | 145 Ų | 145 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | | | trans | -119.8 | 59.4 | -168.8 | -60.4 | 13.1 | 0 | 0 | 0 | 111.9 | D164 | D164-N166 VanDerWaalsContact C-N 3.26Å; D164-N166 PolarHBondContact OD1-N 3.05Å |
| 167 | K | 57.2 | Low | 51.9 | Low | 171 Ų | 171 | 148.3 Ų | 148.3 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | trans | -121.1 | 105.4 | 164.9 | -62.5 | -64.2 | 177.6 | -166.1 | 0 | 109.1 | | |
| 168 | E | 47.8 | Very low | 52.3 | Low | 181 Ų | 181 | 150.5 Ų | 150.5 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | | | trans | -52.9 | 135.5 | 174 | -63.3 | 175 | 134.6 | 0 | 0 | 110.6 | K170 | E168-K170 PolarHBondContact O-N 2.77Š|
| 169 | P | 63.9 | Low | 52.4 | Low | 109 Ų | 109 | 149.6 Ų | 149.6 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | | | trans | -63 | 112.1 | 166.4 | -16.5 | 30.1 | 0 | 0 | 0 | 108.3 | L171 | P169-L171 PolarHBondContact O-N 3.16Š|
| 170 | K | 53.3 | Low | 52.4 | Low | 194 Ų | 194 | 148.5 Ų | 148.5 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | | | trans | -62.7 | 89.3 | 163.4 | -93.2 | -175.2 | 172.1 | 178.4 | 0 | 108.3 | E168 N172 | E168-K170 PolarHBondContact O-N 2.77Å; K170-N172 VanDerWaalsContact C-N 3.31Å; K170-N172 PolarHBondContact O-N 2.99Å |
| 171 | L | 54.8 | Low | 52.8 | Low | 145 Ų | 145 | 144.3 Ų | 144.3 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | | | trans | -65.3 | 96.4 | 166.1 | -63.4 | -178.8 | 0 | 0 | 0 | 106.8 | P169 L173 | P169-L171 PolarHBondContact O-N 3.16Å; L171-L173 PolarHBondContact O-N 3.46Å |
| 172 | N | 57.1 | Low | 52.6 | Low | 149 Ų | 149 | 143.5 Ų | 143.5 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | trans | -61.9 | 109.4 | 163.5 | -67 | -69.5 | 0 | 0 | 0 | 106.1 | K170 C174 | K170-N172 VanDerWaalsContact C-N 3.31Å; K170-N172 PolarHBondContact O-N 2.99Å; N172-C174 PolarHBondContact O-N 3.16Å |
| 173 | L | 52 | Low | 52.3 | Low | 162 Ų | 162 | 143.8 Ų | 143.8 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 116.8 | 176.5 | -80.8 | 81.1 | 0 | 0 | 0 | 107.7 | L171 | L171-L173 PolarHBondContact O-N 3.46Š|
| 174 | C | 51.9 | Low | 52.4 | Low | 106 Ų | 106 | 146.7 Ų | 146.7 | 72% | 0.716 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 125.5 | 171.4 | -175.1 | 0 | 0 | 0 | 0 | 107.8 | N172 D176 | N172-C174 PolarHBondContact O-N 3.16Å; C174-D176 PolarHBondContact O-N 3.31Å |
| 175 | P | 54.5 | Low | 52.5 | Low | 117 Ų | 117 | 144.5 Ų | 144.5 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 126.9 | 178.7 | 25.3 | -32.4 | 0 | 0 | 0 | 109.6 | | |
| 176 | D | 41.9 | Very low | 52.2 | Low | 135 Ų | 135 | 140.1 Ų | 140.1 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | | | trans | -9.2 | 130.6 | 176.2 | -162.9 | 7.3 | 0 | 0 | 0 | 118.2 | C174 H178 | C174-D176 PolarHBondContact O-N 3.31Å; D176-H178 PolarHBondContact O-N 3.4Å |
| 177 | K | 58.7 | Low | 52.3 | Low | 191 Ų | 191 | 137.5 Ų | 137.5 | 83% | 0.83 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -76.4 | 25.9 | -178.5 | -67.2 | -175.1 | 178.8 | 178.7 | 0 | 113.7 | | |
| 178 | H | 56.9 | Low | 52 | Low | 160 Ų | 160 | 140 Ų | 140 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | | | trans | -142.7 | 66.6 | 175.9 | -86.5 | -14.6 | 0 | 0 | 0 | 113.9 | D176 | D176-H178 PolarHBondContact O-N 3.4Š|
| 179 | M | 45 | Very low | 52.3 | Low | 192 Ų | 192 | 142.8 Ų | 142.8 | 95% | 0.946 | 76% | 0.755 | S | S | * | * | | | trans | -94.6 | 98.2 | 143.4 | -85.7 | -174.7 | 66.2 | 0 | 0 | 109.5 | | |
| 180 | S | 50.4 | Low | 52 | Low | 95 Ų | 95 | 148.1 Ų | 148.1 | 66% | 0.664 | 76% | 0.762 | S | S | * | * | | | trans | -59.6 | 139 | 178.2 | -56.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 181 | T | 49.8 | Very low | 52.2 | Low | 134 Ų | 134 | 149.8 Ų | 149.8 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | | | trans | 37.4 | 99.9 | 150.3 | 51.3 | 0 | 0 | 0 | 0 | 117.6 | | |
| 182 | S | 46.4 | Very low | 52.4 | Low | 121 Ų | 121 | 149.2 Ų | 149.2 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | | | | -119.8 | 119.1 | 121.2 | 55.4 | 0 | 0 | 0 | 0 | 108.8 | N184 | S182-N184 PolarHBondContact O-N 2.98Š|
| 183 | Y | 45.4 | Very low | 52.5 | Low | 206 Ų | 206 | 147 Ų | 147 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | | | trans | -47.3 | 136.5 | 168 | 173.8 | -95.1 | 0 | 0 | 0 | 109.3 | G185 | Y183-G185 VanDerWaalsContact C-N 3.32Å; Y183-G185 WeakPolarHBondContact O-CA 3.35Å; Y183-G185 PolarHBondContact O-N 3.31Å |
| 184 | N | 56.3 | Low | 52.7 | Low | 144 Ų | 144 | 147.3 Ų | 147.3 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | | | trans | -55.7 | 94.8 | -179.2 | -176.2 | -2.9 | 0 | 0 | 0 | 109.8 | S182 S186 | S182-N184 PolarHBondContact O-N 2.98Å; N184-S186 VanDerWaalsContact C-N 3.26Å; N184-S186 PolarHBondContact O-N 3Å |
| 185 | G | 46.7 | Very low | 52.8 | Low | 63 Ų | 63 | 146.8 Ų | 146.8 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | | | trans | -77.8 | 74.8 | -165.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y183 A187 | Y183-G185 VanDerWaalsContact C-N 3.32Å; Y183-G185 WeakPolarHBondContact O-CA 3.35Å; Y183-G185 PolarHBondContact O-N 3.31Å; G185-A187 PolarHBondContact O-N 3.45Å; G185-A187 VanDerWaalsContact O-N 3.07Å |
| 186 | S | 51.8 | Low | 53.1 | Low | 34 Ų | 34 | 149.7 Ų | 149.7 | 24% | 0.238 | 75% | 0.746 | C | S | . | * | | | trans | 14.1 | 82.2 | 167.3 | -65 | 0 | 0 | 0 | 0 | 114.1 | N184 W188 R189 | N184-S186 VanDerWaalsContact C-N 3.26Å; N184-S186 PolarHBondContact O-N 3Å; S186-W188 VanDerWaalsContact CB-CE2 3.45Å; S186-W188 PolarHBondContact O-N 3.09Å; S186-W188 WeakPolarHBondContact OG-CZ2 2.87Å; S186-R189 PolarHBondContact O-N 3.41Å |
| 187 | A | 56.3 | Low | 53.7 | Low | 78 Ų | 78 | 149.4 Ų | 149.4 | 65% | 0.645 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -4.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | G185 R189 R190 | G185-A187 PolarHBondContact O-N 3.45Å; G185-A187 VanDerWaalsContact O-N 3.07Å; A187-R189 PolarHBondContact O-N 3.07Å; A187-R190 WeakPolarHBondContact O-CG 3.34Å |
| 188 | W | 50.7 | Low | 53.3 | Low | 225 Ų | 225 | 150.5 Ų | 150.5 | 85% | 0.852 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -9.5 | 169 | 15.4 | -59.2 | 0 | 0 | 0 | 113.3 | S186 R190 | S186-W188 VanDerWaalsContact CB-CE2 3.45Å; S186-W188 PolarHBondContact O-N 3.09Å; S186-W188 WeakPolarHBondContact OG-CZ2 2.87Å; W188-R190 PolarHBondContact O-N 2.88Å |
| 189 | R | 55.4 | Low | 53.2 | Low | 238 Ų | 238 | 147.8 Ų | 147.8 | 90% | 0.898 | 75% | 0.748 | S | S | * | * | | | trans | -74.9 | 23.4 | 167.2 | -141.8 | -174.3 | -160.8 | -76.5 | 1.6 | 113.7 | S186 A187 R191 | S186-R189 PolarHBondContact O-N 3.41Å; A187-R189 PolarHBondContact O-N 3.07Å; R189-R191 PolarHBondContact O-N 3.18Å |
| 190 | R | 56.6 | Low | 53.7 | Low | 222 Ų | 222 | 148 Ų | 148 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | | | trans | -64.6 | 97.9 | 169.8 | -86.2 | 175 | 66.1 | 151.5 | -0.6 | 110.1 | A187 W188 I192 | A187-R190 WeakPolarHBondContact O-CG 3.34Å; W188-R190 PolarHBondContact O-N 2.88Å; R190-I192 PolarHBondContact O-N 3.48Å |
| 191 | R | 57.8 | Low | 54.1 | Low | 228 Ų | 228 | 148.9 Ų | 148.9 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | | | trans | 25.2 | 93.4 | 156.1 | -67.1 | -175.7 | -75.9 | -174.6 | -4.9 | 115.1 | R189 P193 | R189-R191 PolarHBondContact O-N 3.18Å; R191-P193 WeakPolarHBondContact O-CD 3.27Å |
| 192 | I | 59.5 | Low | 54.4 | Low | 133 Ų | 133 | 150.4 Ų | 150.4 | 68% | 0.682 | 74% | 0.744 | S | S | * | * | | | trans | -62.5 | 114 | 160 | -59.6 | 170.6 | 0 | 0 | 0 | 106.9 | R190 F194 | R190-I192 PolarHBondContact O-N 3.48Å; I192-F194 HydrophobicContact CG2-CD2 4.15Å; I192-F194 PolarHBondContact O-N 3.05Å |
| 193 | P | 58.4 | Low | 54.9 | Low | 104 Ų | 104 | 153 Ų | 153 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 7.2 | -171.5 | -13.9 | 29.2 | 0 | 0 | 0 | 114.8 | R191 | R191-P193 WeakPolarHBondContact O-CD 3.27Š|
| 194 | F | 56.7 | Low | 55.6 | Low | 167 Ų | 167 | 149.1 Ų | 149.1 | 73% | 0.732 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.1 | 20.7 | -166.7 | -19.8 | -74.3 | 0 | 0 | 0 | 114.3 | I192 K196 | I192-F194 HydrophobicContact CG2-CD2 4.15Å; I192-F194 PolarHBondContact O-N 3.05Å; F194-K196 PolarHBondContact O-N 2.82Å |
| 195 | S | 53.3 | Low | 55.5 | Low | 95 Ų | 95 | 152.1 Ų | 152.1 | 66% | 0.664 | 74% | 0.739 | S | S | * | * | | | trans | -70.3 | 79.7 | 165.5 | 59.7 | 0 | 0 | 0 | 0 | 109.6 | T197 | S195-T197 PolarHBondContact O-N 2.84Š|
| 196 | K | 60.1 | Low | 56 | Low | 178 Ų | 178 | 154.7 Ų | 154.7 | 77% | 0.774 | 74% | 0.744 | S | S | * | * | | | trans | -60.9 | 102.7 | 162.7 | -77.1 | -169.8 | 176.6 | -174.4 | 0 | 107 | F194 Y198 | F194-K196 PolarHBondContact O-N 2.82Å; K196-Y198 PolarHBondContact O-N 2.99Å |
| 197 | T | 56 | Low | 56.5 | Low | 130 Ų | 130 | 161.3 Ų | 161.3 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | | | trans | -61 | 101.1 | 163.6 | 30.4 | 0 | 0 | 0 | 0 | 107.4 | S195 S199 | S195-T197 PolarHBondContact O-N 2.84Å; T197-S199 PolarHBondContact O-N 3.09Å |
| 198 | Y | 49.4 | Very low | 56.6 | Low | 213 Ų | 213 | 163.2 Ų | 163.2 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | | | trans | -66.1 | 95.3 | 160 | -78.4 | -86.4 | 0 | 0 | 0 | 106.6 | K196 K200 | K196-Y198 PolarHBondContact O-N 2.99Å; Y198-K200 VanDerWaalsContact C-N 3.32Å; Y198-K200 PolarHBondContact O-N 2.79Å |
| 199 | S | 54.9 | Low | 56.7 | Low | 103 Ų | 103 | 163.3 Ų | 163.3 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | | | trans | -58.1 | 101.9 | 162.8 | 37.9 | 0 | 0 | 0 | 0 | 107 | T197 T201 | T197-S199 PolarHBondContact O-N 3.09Å; S199-T201 VanDerWaalsContact C-N 3.3Å; S199-T201 PolarHBondContact O-N 3.15Å |
| 200 | K | 55.2 | Low | 57 | Low | 196 Ų | 196 | 164 Ų | 164 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | | | trans | -62.4 | 100 | 167.9 | -177.6 | -178.8 | 178.4 | -170.8 | 0 | 105.7 | Y198 E202 | Y198-K200 VanDerWaalsContact C-N 3.32Å; Y198-K200 PolarHBondContact O-N 2.79Å; K200-E202 PolarHBondContact O-N 2.92Å |
| 201 | T | 58.6 | Low | 56.6 | Low | 115 Ų | 115 | 159.8 Ų | 159.8 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | trans | -66.2 | 92.4 | 171 | 44.2 | 0 | 0 | 0 | 0 | 107.2 | S199 K203 | S199-T201 VanDerWaalsContact C-N 3.3Å; S199-T201 PolarHBondContact O-N 3.15Å; T201-K203 PolarHBondContact O-N 3.44Å |
| 202 | E | 56.2 | Low | 56.1 | Low | 165 Ų | 165 | 152.5 Ų | 152.5 | 77% | 0.771 | 77% | 0.77 | S | S | * | * | | | trans | -55.2 | 111.6 | 164.9 | -177.5 | 161 | -150.9 | 0 | 0 | 107 | K200 V204 | K200-E202 PolarHBondContact O-N 2.92Å; E202-V204 VanDerWaalsContact C-N 3.26Å; E202-V204 PolarHBondContact O-N 3.36Å |
| 203 | K | 58.3 | Low | 55.3 | Low | 175 Ų | 175 | 151.9 Ų | 151.9 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | | | trans | -73.2 | 92.8 | 175.5 | -68.1 | -155.8 | 177.4 | -168.4 | 0 | 106.8 | T201 Y205 | T201-K203 PolarHBondContact O-N 3.44Å; K203-Y205 VanDerWaalsContact C-N 3.34Å; K203-Y205 PolarHBondContact O-N 3.43Å |
| 204 | V | 59.5 | Low | 54.5 | Low | 125 Ų | 125 | 160.1 Ų | 160.1 | 76% | 0.758 | 80% | 0.803 | S | S | * | * | | | trans | -55.3 | 103.1 | 164.3 | -179.7 | 0 | 0 | 0 | 0 | 106.4 | E202 P206 | E202-V204 VanDerWaalsContact C-N 3.26Å; E202-V204 PolarHBondContact O-N 3.36Å; V204-P206 WeakPolarHBondContact O-CD 3.16Å |
| 205 | Y | 54.6 | Low | 54.4 | Low | 208 Ų | 208 | 159.8 Ų | 159.8 | 82% | 0.816 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 122.7 | 166.8 | -81.8 | -90.9 | 0 | 0 | 0 | 106.7 | K203 E207 | K203-Y205 VanDerWaalsContact C-N 3.34Å; K203-Y205 PolarHBondContact O-N 3.43Å; Y205-E207 PolarHBondContact O-N 2.99Å; Y205-E207 VanDerWaalsContact O-N 3.15Å |
| 206 | P | 57.2 | Low | 54.5 | Low | 116 Ų | 116 | 163.2 Ų | 163.2 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 118.8 | 167.7 | 27.4 | -31.4 | 0 | 0 | 0 | 107.4 | V204 | V204-P206 WeakPolarHBondContact O-CD 3.16Š|
| 207 | E | 62 | Low | 54.1 | Low | 174 Ų | 174 | 162.4 Ų | 162.4 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 134.5 | 177 | -171.7 | 173 | -156.4 | 0 | 0 | 110.1 | Y205 R209 | Y205-E207 PolarHBondContact O-N 2.99Å; Y205-E207 VanDerWaalsContact O-N 3.15Å; E207-R209 PolarHBondContact O-N 3.28Å |
| 208 | P | 57.3 | Low | 54 | Low | 118 Ų | 118 | 164.3 Ų | 164.3 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | | | trans | -66.4 | 104.8 | -177.7 | -18.4 | 31.3 | 0 | 0 | 0 | 110.5 | R210 | P208-R210 PolarHBondContact O-N 3.47Š|
| 209 | R | 54 | Low | 54.3 | Low | 226 Ų | 226 | 161.3 Ų | 161.3 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | | | trans | -59.9 | 104.8 | 173 | -87.2 | -173.8 | 157.4 | 161.1 | -4.3 | 110.2 | E207 N211 | E207-R209 PolarHBondContact O-N 3.28Å; R209-N211 PolarHBondContact O-N 2.63Å |
| 210 | R | 61.5 | Low | 54.3 | Low | 252 Ų | 252 | 165.1 Ų | 165.1 | 95% | 0.951 | 82% | 0.822 | S | S | * | * | | | trans | -70.1 | 77.8 | 167.8 | -87 | -175.9 | 159.6 | 179.1 | -4.5 | 110.6 | P208 | P208-R210 PolarHBondContact O-N 3.47Š|
| 211 | N | 47.2 | Very low | 54.2 | Low | 135 Ų | 135 | 162.9 Ų | 162.9 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | | | trans | -118.4 | 111.7 | 166.2 | -62.6 | 17.5 | 0 | 0 | 0 | 106.5 | R209 | R209-N211 PolarHBondContact O-N 2.63Š|
| 212 | G | 47.1 | Very low | 53.9 | Low | 75 Ų | 75 | 166.6 Ų | 166.6 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | | | trans | -102.5 | -156.3 | -167 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 213 | S | 43.1 | Very low | 53.7 | Low | 119 Ų | 119 | 166.8 Ų | 166.8 | 83% | 0.832 | 83% | 0.834 | S | S | * | * | | | trans | 67.5 | 94.2 | 166.8 | -169.4 | 0 | 0 | 0 | 0 | 117.5 | | |
| 214 | K | 42.3 | Very low | 53.3 | Low | 278 Ų | 278 | 166 Ų | 166 | 100% | 1.209 | 84% | 0.841 | S | S | * | * | | | | -161.6 | 0 | 104.3 | -102.4 | 175.4 | 176.8 | 179.3 | 0 | 110.8 | | |