| 1 | M | 57.9 | Low | 61.9 | Low | 238 Ų | 238 | 153 Ų | 153 | 100% | 1.172 | 82% | 0.819 | S | S | * | * | | | | 0 | 126.8 | 0 | -90.2 | 125 | 74.4 | 0 | 0 | 107.5 | | |
| 2 | E | 60.1 | Low | 61.6 | Low | 178 Ų | 178 | 160.3 Ų | 160.3 | 83% | 0.832 | 83% | 0.826 | S | S | * | * | | | trans | -93.3 | 115.3 | -171.7 | -46.5 | -169.3 | 162.5 | 0 | 0 | 107.9 | Q4 | E2-Q4 PolarHBondContact O-N 2.91Š|
| 3 | M | 69.6 | Low | 61.2 | Low | 178 Ų | 178 | 160.2 Ų | 160.2 | 88% | 0.877 | 83% | 0.826 | S | S | * | * | | | trans | -85.6 | 100.9 | 173.7 | -62.6 | -177 | -61.8 | 0 | 0 | 106.7 | D5 | M3-D5 PolarHBondContact O-N 3.3Š|
| 4 | Q | 73.8 | Confident | 60.7 | Low | 172 Ų | 172 | 158.1 Ų | 158.1 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | | | trans | -66.8 | 120.4 | 178.5 | -70.2 | -95.4 | 11 | 0 | 0 | 109.6 | E2 | E2-Q4 PolarHBondContact O-N 2.91Š|
| 5 | D | 69.9 | Low | 59.7 | Low | 140 Ų | 140 | 152.8 Ų | 152.8 | 75% | 0.749 | 83% | 0.832 | S | S | * | * | | | trans | -56 | 126.8 | -170.8 | -79.3 | -72.9 | 0 | 0 | 0 | 115 | M3 T7 | M3-D5 PolarHBondContact O-N 3.3Å; D5-T7 PolarHBondContact O-N 3.28Å |
| 6 | L | 64 | Low | 59.4 | Low | 176 Ų | 176 | 150.4 Ų | 150.4 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -85 | 42.9 | 167.4 | -68 | 174.5 | 0 | 0 | 0 | 111.7 | | |
| 7 | T | 66.3 | Low | 59 | Low | 110 Ų | 110 | 147.6 Ų | 147.6 | 68% | 0.675 | 82% | 0.823 | S | S | * | * | | | trans | -150.2 | 96.7 | 168.7 | 72.6 | 0 | 0 | 0 | 0 | 111.1 | D5 | D5-T7 PolarHBondContact O-N 3.28Š|
| 8 | S | 52.8 | Low | 58.6 | Low | 119 Ų | 119 | 149.4 Ų | 149.4 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | | | trans | -155.5 | 108.6 | 144.9 | -143 | 0 | 0 | 0 | 0 | 111 | | |
| 9 | P | 58.4 | Low | 58.5 | Low | 102 Ų | 102 | 146.4 Ų | 146.4 | 66% | 0.662 | 82% | 0.815 | S | S | * | * | | | trans | -78.6 | 172.2 | 164 | 31.3 | -24.5 | 0 | 0 | 0 | 110.1 | | |
| 10 | H | 52.7 | Low | 58.4 | Low | 172 Ų | 172 | 145.4 Ų | 145.4 | 80% | 0.796 | 82% | 0.815 | S | S | * | * | | | trans | 116.1 | 77.1 | 169.7 | -63.5 | -90.1 | 0 | 0 | 0 | 116.8 | | |
| 11 | S | 55.6 | Low | 58.4 | Low | 98 Ų | 98 | 143.4 Ų | 143.4 | 69% | 0.685 | 81% | 0.81 | S | S | * | * | | | | 8.5 | 127.2 | 118.1 | -180 | 0 | 0 | 0 | 0 | 116.5 | | |
| 12 | R | 58.1 | Low | 58.5 | Low | 241 Ų | 241 | 135 Ų | 135 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | | | | -161.7 | 140.5 | 116.1 | -67.2 | -147.9 | -171.1 | -127.1 | -1.8 | 112.2 | | |
| 13 | L | 57.2 | Low | 58.6 | Low | 158 Ų | 158 | 132 Ų | 132 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | | | trans | -46.2 | 142.4 | 172.3 | -77.4 | 65.5 | 0 | 0 | 0 | 114.4 | | |
| 14 | S | 53.8 | Low | 58.1 | Low | 131 Ų | 131 | 132.9 Ų | 132.9 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | | | trans | -158.3 | 119.4 | 146.1 | -79.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 15 | G | 46.2 | Very low | 57.8 | Low | 79 Ų | 79 | 132.1 Ų | 132.1 | 81% | 0.814 | 78% | 0.781 | S | S | * | * | | | trans | 135.1 | 71.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | S17 | G15-S17 PolarHBondContact O-N 3.35Š|
| 16 | S | 53.8 | Low | 57.5 | Low | 114 Ų | 114 | 131 Ų | 131 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | | | trans | -54.4 | 129 | 161.8 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 17 | S | 52.6 | Low | 57.2 | Low | 103 Ų | 103 | 128.1 Ų | 128.1 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | | | trans | -132.1 | 89.6 | 144.8 | 65.5 | 0 | 0 | 0 | 0 | 108.2 | G15 S19 | G15-S17 PolarHBondContact O-N 3.35Å; S17-S19 PolarHBondContact O-N 3.15Å; S17-S19 VanDerWaalsContact O-N 3.09Å |
| 18 | E | 52.9 | Low | 56.8 | Low | 180 Ų | 180 | 127.1 Ų | 127.1 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | | | trans | -48 | 108.7 | 159.2 | -176.7 | 166.6 | 86.5 | 0 | 0 | 109 | | |
| 19 | S | 56.3 | Low | 57.2 | Low | 93 Ų | 93 | 129.6 Ų | 129.6 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | | | trans | -101.1 | 120.5 | 167 | -67 | 0 | 0 | 0 | 0 | 106.9 | S17 S21 | S17-S19 PolarHBondContact O-N 3.15Å; S17-S19 VanDerWaalsContact O-N 3.09Å; S19-S21 PolarHBondContact O-N 3.16Å |
| 20 | P | 55.6 | Low | 57.3 | Low | 126 Ų | 126 | 132.5 Ų | 132.5 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -77.2 | 18.7 | -163.1 | 31.9 | -36.5 | 0 | 0 | 0 | 114.2 | | |
| 21 | S | 59.2 | Low | 57.6 | Low | 103 Ų | 103 | 130.8 Ų | 130.8 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | | | trans | -155.1 | 74.8 | -175.1 | -61.4 | 0 | 0 | 0 | 0 | 110.7 | S19 | S19-S21 PolarHBondContact O-N 3.16Š|
| 22 | G | 60 | Low | 57.6 | Low | 61 Ų | 61 | 130.3 Ų | 130.3 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | | | trans | -58.2 | 141.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | K24 | G22-K24 PolarHBondContact O-N 2.99Š|
| 23 | P | 61.9 | Low | 57.6 | Low | 117 Ų | 117 | 125.4 Ų | 125.4 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | | | trans | -60.1 | 112.4 | 178.5 | 24.4 | -31.2 | 0 | 0 | 0 | 107.9 | L25 | P23-L25 VanDerWaalsContact C-N 3.34Å; P23-L25 PolarHBondContact O-N 3.09Å |
| 24 | K | 59.4 | Low | 57.5 | Low | 196 Ų | 196 | 122.8 Ų | 122.8 | 85% | 0.852 | 76% | 0.758 | S | S | * | * | | | trans | -65.6 | 98.1 | 174.4 | -165.9 | 169.3 | -178.2 | -179.8 | 0 | 105.9 | G22 D26 | G22-K24 PolarHBondContact O-N 2.99Å; K24-D26 PolarHBondContact O-N 3.09Å |
| 25 | L | 67.5 | Low | 57.6 | Low | 156 Ų | 156 | 125.1 Ų | 125.1 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | | | trans | -70.2 | 85.9 | 173.6 | -62.5 | 176.1 | 0 | 0 | 0 | 107 | P23 | P23-L25 VanDerWaalsContact C-N 3.34Å; P23-L25 PolarHBondContact O-N 3.09Å |
| 26 | D | 64.1 | Low | 57.9 | Low | 115 Ų | 115 | 126.8 Ų | 126.8 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | | | trans | -74.2 | 127.5 | 168.9 | 72.5 | 85.3 | 0 | 0 | 0 | 109.4 | K24 S28 | K24-D26 PolarHBondContact O-N 3.09Å; D26-S28 PolarHBondContact O-N 3Å; D26-S28 WeakPolarHBondContact OD1-CB 3.42Å; D26-S28 PolarHBondContact OD1-OG 2.95Å |
| 27 | S | 56 | Low | 58 | Low | 117 Ų | 117 | 127.2 Ų | 127.2 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -78.4 | 65.2 | -174.3 | -39.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 28 | S | 59.4 | Low | 58.5 | Low | 88 Ų | 88 | 129.7 Ų | 129.7 | 62% | 0.615 | 76% | 0.757 | S | S | * | * | | | trans | -122.3 | -6.9 | -179.3 | 68.4 | 0 | 0 | 0 | 0 | 115.9 | D26 | D26-S28 PolarHBondContact O-N 3Å; D26-S28 WeakPolarHBondContact OD1-CB 3.42Å; D26-S28 PolarHBondContact OD1-OG 2.95Å |
| 29 | H | 59.5 | Low | 58.8 | Low | 171 Ų | 171 | 124.8 Ų | 124.8 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | | | trans | -123.5 | 34.8 | -173.1 | -140.3 | -75.3 | 0 | 0 | 0 | 115.9 | | |
| 30 | I | 62.4 | Low | 58.7 | Low | 164 Ų | 164 | 125.7 Ų | 125.7 | 84% | 0.841 | 76% | 0.756 | S | S | * | * | | | trans | -106.2 | 69.6 | 165.3 | 37.7 | 171.7 | 0 | 0 | 0 | 109.7 | | |
| 31 | N | 58 | Low | 58.9 | Low | 135 Ų | 135 | 128.6 Ų | 128.6 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | | | trans | -150.7 | 117.9 | 158.7 | -165.1 | -10.8 | 0 | 0 | 0 | 111.4 | | |
| 32 | S | 55.5 | Low | 58.7 | Low | 89 Ų | 89 | 128.7 Ų | 128.7 | 62% | 0.622 | 76% | 0.755 | S | S | * | * | | | trans | 44.4 | 115 | 156.8 | 58.2 | 0 | 0 | 0 | 0 | 121 | | |
| 33 | T | 59 | Low | 58.7 | Low | 138 Ų | 138 | 134.7 Ų | 134.7 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | | | trans | 46.8 | 94.4 | 130.6 | -25.5 | 0 | 0 | 0 | 0 | 117.4 | | |
| 34 | S | 54.4 | Low | 58.9 | Low | 103 Ų | 103 | 134.6 Ų | 134.6 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | | | trans | -154.5 | 92.5 | 147.6 | 147.9 | 0 | 0 | 0 | 0 | 108 | T36 | S34-T36 PolarHBondContact O-N 3.37Å; S34-T36 VanDerWaalsContact O-N 3.14Å |
| 35 | M | 55.9 | Low | 59.1 | Low | 179 Ų | 179 | 132.3 Ų | 132.3 | 88% | 0.882 | 75% | 0.754 | S | S | * | * | | | trans | -56.7 | 111.1 | 159.2 | -69.2 | -72.4 | 156.5 | 0 | 0 | 107.1 | P37 | M35-P37 WeakPolarHBondContact O-CD 3.47Š|
| 36 | T | 52.6 | Low | 58.7 | Low | 114 Ų | 114 | 130.7 Ų | 130.7 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | | | trans | -79.3 | 112.1 | 167.8 | 42 | 0 | 0 | 0 | 0 | 107.8 | S34 N38 | S34-T36 PolarHBondContact O-N 3.37Å; S34-T36 VanDerWaalsContact O-N 3.14Å; T36-N38 VanDerWaalsContact C-N 3.28Å; T36-N38 PolarHBondContact O-N 3.06Å |
| 37 | P | 56.8 | Low | 58.5 | Low | 124 Ų | 124 | 132.9 Ų | 132.9 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | | | trans | -73.1 | 94.1 | 163.7 | 30.2 | -28.5 | 0 | 0 | 0 | 105.9 | M35 G39 | M35-P37 WeakPolarHBondContact O-CD 3.47Å; P37-G39 PolarHBondContact O-N 2.86Å; P37-G39 VanDerWaalsContact O-N 3.09Å |
| 38 | N | 61.6 | Low | 58.2 | Low | 155 Ų | 155 | 132.4 Ų | 132.4 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | | | trans | -63 | 116.2 | 173.9 | -153.3 | 28 | 0 | 0 | 0 | 107.4 | T36 T40 | T36-N38 VanDerWaalsContact C-N 3.28Å; T36-N38 PolarHBondContact O-N 3.06Å; N38-T40 PolarHBondContact O-N 3.38Å |
| 39 | G | 59.4 | Low | 57.6 | Low | 77 Ų | 77 | 133.6 Ų | 133.6 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | | | trans | -64.4 | 90.5 | -171 | 0 | 0 | 0 | 0 | 0 | 113.2 | P37 | P37-G39 PolarHBondContact O-N 2.86Å; P37-G39 VanDerWaalsContact O-N 3.09Å |
| 40 | T | 55.3 | Low | 57.4 | Low | 111 Ų | 111 | 130.2 Ų | 130.2 | 68% | 0.681 | 76% | 0.762 | S | S | * | * | | | trans | -119.7 | 114.8 | 151.6 | -54 | 0 | 0 | 0 | 0 | 106.1 | N38 V42 | N38-T40 PolarHBondContact O-N 3.38Å; T40-V42 HydrophobicContact CG2-CG2 4.21Å; T40-V42 PolarHBondContact O-N 3.05Å |
| 41 | E | 59.9 | Low | 57 | Low | 187 Ų | 187 | 130.9 Ų | 130.9 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | | | trans | -60.6 | 80.8 | 170.7 | -173.6 | -170.2 | 137.4 | 0 | 0 | 108.9 | K43 | E41-K43 PolarHBondContact O-N 3.25Š|
| 42 | V | 53.5 | Low | 57 | Low | 105 Ų | 105 | 131.5 Ų | 131.5 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | | | trans | -89.2 | 98.1 | 159.6 | -177.9 | 0 | 0 | 0 | 0 | 104.3 | T40 T44 | T40-V42 HydrophobicContact CG2-CG2 4.21Å; T40-V42 PolarHBondContact O-N 3.05Å; V42-T44 PolarHBondContact O-N 3.09Å; V42-T44 PolarHBondContact O-OG1 3.32Å |
| 43 | K | 60.7 | Low | 56.7 | Low | 187 Ų | 187 | 130.8 Ų | 130.8 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | | | trans | -51.3 | 86.9 | 168.5 | 178.9 | -178.4 | 172.1 | 179.3 | 0 | 109 | E41 | E41-K43 PolarHBondContact O-N 3.25Š|
| 44 | T | 65.3 | Low | 56.2 | Low | 116 Ų | 116 | 129.8 Ų | 129.8 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | | | trans | -79.1 | 134.9 | 173.8 | 28.9 | 0 | 0 | 0 | 0 | 109.2 | V42 | V42-T44 PolarHBondContact O-N 3.09Å; V42-T44 PolarHBondContact O-OG1 3.32Å |
| 45 | E | 63.9 | Low | 56 | Low | 148 Ų | 148 | 130.8 Ų | 130.8 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | | | trans | 73.9 | 100.1 | 172.9 | -62.2 | -81.6 | 107.3 | 0 | 0 | 115.5 | M47 | E45-M47 PolarHBondContact O-N 3.08Š|
| 46 | P | 59.9 | Low | 55.9 | Low | 121 Ų | 121 | 127.2 Ų | 127.2 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | | | trans | -59.7 | 96.5 | 133.9 | 29 | -28.3 | 0 | 0 | 0 | 106.8 | S48 | P46-S48 PolarHBondContact O-N 2.72Å; P46-S48 VanDerWaalsContact O-N 3.09Å |
| 47 | M | 58.5 | Low | 55.7 | Low | 161 Ų | 161 | 125.4 Ų | 125.4 | 79% | 0.793 | 76% | 0.759 | S | S | * | * | | | trans | -46.5 | 120.1 | 156.7 | -76 | 167.7 | 36.7 | 0 | 0 | 106.7 | E45 S49 | E45-M47 PolarHBondContact O-N 3.08Å; M47-S49 PolarHBondContact O-N 3.07Å |
| 48 | S | 50.1 | Low | 55.6 | Low | 108 Ų | 108 | 127.2 Ų | 127.2 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | | | trans | -36.7 | 101.6 | 173.8 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | P46 S50 | P46-S48 PolarHBondContact O-N 2.72Å; P46-S48 VanDerWaalsContact O-N 3.09Å; S48-S50 PolarHBondContact O-N 3.07Å |
| 49 | S | 47 | Very low | 55.4 | Low | 113 Ų | 113 | 122.9 Ų | 122.9 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | | | trans | -75.9 | 80.3 | 177.5 | 54.8 | 0 | 0 | 0 | 0 | 108.7 | M47 E51 | M47-S49 PolarHBondContact O-N 3.07Å; S49-E51 PolarHBondContact O-N 3.44Å |
| 50 | S | 55.7 | Low | 55.7 | Low | 100 Ų | 100 | 124.7 Ų | 124.7 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | | | trans | -75.6 | 71.2 | 158 | -62.5 | 0 | 0 | 0 | 0 | 108 | S48 I52 | S48-S50 PolarHBondContact O-N 3.07Å; S50-I52 VanDerWaalsContact C-N 3.3Å; S50-I52 PolarHBondContact O-N 2.89Å; S50-I52 VanDerWaalsContact O-N 3.12Å |
| 51 | E | 53 | Low | 55.7 | Low | 177 Ų | 177 | 126.4 Ų | 126.4 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | | | trans | -76.7 | 89.5 | 163.4 | -170.7 | 173 | 100.8 | 0 | 0 | 107.3 | S49 A53 | S49-E51 PolarHBondContact O-N 3.44Å; E51-A53 PolarHBondContact O-N 2.94Å |
| 52 | I | 58.8 | Low | 55.4 | Low | 148 Ų | 148 | 125.2 Ų | 125.2 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | | | trans | -79.2 | 100.2 | 155.5 | 2.9 | 171.1 | 0 | 0 | 0 | 104.9 | S50 S54 | S50-I52 VanDerWaalsContact C-N 3.3Å; S50-I52 PolarHBondContact O-N 2.89Å; S50-I52 VanDerWaalsContact O-N 3.12Å; I52-S54 VanDerWaalsContact C-N 3.33Å; I52-S54 PolarHBondContact O-N 2.78Å |
| 53 | A | 48.4 | Very low | 55.8 | Low | 74 Ų | 74 | 124.2 Ų | 124.2 | 61% | 0.612 | 76% | 0.755 | S | S | * | * | | | trans | -52.8 | 101.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108 | E51 T55 | E51-A53 PolarHBondContact O-N 2.94Å; A53-T55 PolarHBondContact O-N 2.78Å |
| 54 | S | 49.4 | Very low | 55.5 | Low | 117 Ų | 117 | 125.2 Ų | 125.2 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | trans | -75 | 80.7 | 170.1 | -66 | 0 | 0 | 0 | 0 | 106.7 | I52 A56 | I52-S54 VanDerWaalsContact C-N 3.33Å; I52-S54 PolarHBondContact O-N 2.78Å; S54-A56 VanDerWaalsContact C-N 3.31Å; S54-A56 PolarHBondContact O-N 3.21Å |
| 55 | T | 50.7 | Low | 55.3 | Low | 124 Ų | 124 | 125.7 Ų | 125.7 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | | | trans | -65.9 | 99 | 161.7 | 33.9 | 0 | 0 | 0 | 0 | 107 | A53 A57 | A53-T55 PolarHBondContact O-N 2.78Å; T55-A57 PolarHBondContact O-N 2.97Å |
| 56 | A | 52.2 | Low | 54.8 | Low | 105 Ų | 105 | 121.6 Ų | 121.6 | 87% | 0.868 | 77% | 0.766 | S | S | * | * | | | trans | -60.5 | 91.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | S54 | S54-A56 VanDerWaalsContact C-N 3.31Å; S54-A56 PolarHBondContact O-N 3.21Å |
| 57 | A | 50.1 | Low | 54.5 | Low | 76 Ų | 76 | 121.7 Ų | 121.7 | 63% | 0.628 | 77% | 0.769 | S | S | * | * | | | trans | -119.8 | 94.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 105.7 | T55 G59 | T55-A57 PolarHBondContact O-N 2.97Å; A57-G59 PolarHBondContact O-N 3.31Å |
| 58 | D | 53.3 | Low | 54.2 | Low | 162 Ų | 162 | 118.7 Ų | 118.7 | 87% | 0.866 | 77% | 0.77 | S | S | * | * | | | trans | -36.9 | 108.8 | 155.4 | 54 | -24.2 | 0 | 0 | 0 | 112.7 | | |
| 59 | G | 57.9 | Low | 54.4 | Low | 64 Ų | 64 | 121.6 Ų | 121.6 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 141.9 | 100.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A57 | A57-G59 PolarHBondContact O-N 3.31Š|
| 60 | S | 67.1 | Low | 54.6 | Low | 114 Ų | 114 | 119.4 Ų | 119.4 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | trans | 35.3 | 97.9 | 145.7 | -173.2 | 0 | 0 | 0 | 0 | 116.4 | | |
| 61 | L | 54.6 | Low | 54.5 | Low | 148 Ų | 148 | 120.8 Ų | 120.8 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | | | trans | -144.3 | 87.7 | 145.6 | -147.3 | 99.6 | 0 | 0 | 0 | 110.2 | S63 | L61-S63 PolarHBondContact O-N 3.34Š|
| 62 | D | 54.3 | Low | 54.5 | Low | 161 Ų | 161 | 117.1 Ų | 117.1 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | | | trans | -61.3 | 81.4 | 162.1 | -166.1 | 55.1 | 0 | 0 | 0 | 108.4 | | |
| 63 | S | 60.1 | Low | 54.6 | Low | 84 Ų | 84 | 116.1 Ų | 116.1 | 59% | 0.587 | 78% | 0.781 | S | S | * | * | | | trans | -164.4 | 56.7 | 176.6 | -79.8 | 0 | 0 | 0 | 0 | 112.5 | L61 S65 | L61-S63 PolarHBondContact O-N 3.34Å; S63-S65 PolarHBondContact O-N 2.87Å |
| 64 | F | 55.3 | Low | 55.2 | Low | 208 Ų | 208 | 120.1 Ų | 120.1 | 91% | 0.912 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 71.5 | 159.4 | -69.7 | -79.8 | 0 | 0 | 0 | 110 | | |
| 65 | S | 60.7 | Low | 55.9 | Low | 127 Ų | 127 | 119.4 Ų | 119.4 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -165.8 | 31.4 | 164.5 | -87.6 | 0 | 0 | 0 | 0 | 112.4 | S63 | S63-S65 PolarHBondContact O-N 2.87Š|
| 66 | G | 53.4 | Low | 56.5 | Low | 62 Ų | 62 | 118.1 Ų | 118.1 | 64% | 0.639 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -114.9 | 106.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | A68 | G66-A68 PolarHBondContact O-N 2.93Š|
| 67 | S | 53.8 | Low | 57.4 | Low | 123 Ų | 123 | 123.7 Ų | 123.7 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | | | trans | -39.9 | 107 | 167.4 | -54.2 | 0 | 0 | 0 | 0 | 110.3 | L69 | S67-L69 VanDerWaalsContact C-N 3.34Å; S67-L69 PolarHBondContact O-N 3.21Å |
| 68 | A | 52.1 | Low | 58.3 | Low | 97 Ų | 97 | 125.7 Ų | 125.7 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | | | trans | -69 | 95.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | G66 G70 | G66-A68 PolarHBondContact O-N 2.93Å; A68-G70 PolarHBondContact O-N 3.4Å |
| 69 | L | 55 | Low | 58.8 | Low | 170 Ų | 170 | 122.7 Ų | 122.7 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 38.6 | 80.1 | 136.7 | -53.3 | -179.6 | 0 | 0 | 0 | 114.7 | S67 | S67-L69 VanDerWaalsContact C-N 3.34Å; S67-L69 PolarHBondContact O-N 3.21Å |
| 70 | G | 51 | Low | 59.1 | Low | 67 Ų | 67 | 126.5 Ų | 126.5 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | | | trans | -151.7 | 52.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | A68 S72 | A68-G70 PolarHBondContact O-N 3.4Å; G70-S72 PolarHBondContact O-N 2.87Å |
| 71 | S | 53.1 | Low | 59.3 | Low | 128 Ų | 128 | 125.9 Ų | 125.9 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | | | trans | -69.1 | 63.7 | 166.8 | 57.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 72 | S | 52.5 | Low | 59.8 | Low | 100 Ų | 100 | 128 Ų | 128 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | | | trans | -93.2 | 117.5 | 156.7 | -177.3 | 0 | 0 | 0 | 0 | 105.9 | G70 F74 | G70-S72 PolarHBondContact O-N 2.87Å; S72-F74 PolarHBondContact O-N 2.79Å |
| 73 | S | 62.2 | Low | 60.3 | Low | 127 Ų | 127 | 124.2 Ų | 124.2 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | | | trans | -68.4 | 36 | -176.1 | 52.5 | 0 | 0 | 0 | 0 | 113.7 | S75 | S73-S75 PolarHBondContact O-N 3.06Š|
| 74 | F | 60.8 | Low | 61.2 | Low | 158 Ų | 158 | 125 Ų | 125 | 69% | 0.693 | 76% | 0.763 | S | S | * | * | | | trans | -85.7 | 88.6 | 172.5 | -168.8 | -104.1 | 0 | 0 | 0 | 108.5 | S72 P76 | S72-F74 PolarHBondContact O-N 2.79Å; F74-P76 HydrophobicContact CE1-CB 4.35Å; F74-P76 VanDerWaalsContact O-CD 3.23Å; F74-P76 WeakPolarHBondContact O-CD 3.23Å; F74-P76 VanDerWaalsContact O-N 3.15Å |
| 75 | S | 64.4 | Low | 61.9 | Low | 102 Ų | 102 | 120.3 Ų | 120.3 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | | | trans | -60.9 | 115.5 | 158.3 | -162.7 | 0 | 0 | 0 | 0 | 105.9 | S73 R77 | S73-S75 PolarHBondContact O-N 3.06Å; S75-R77 PolarHBondContact O-N 3.1Å |
| 76 | P | 63.8 | Low | 62.4 | Low | 98 Ų | 98 | 121.5 Ų | 121.5 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 119.4 | 175.4 | 22.6 | -30.6 | 0 | 0 | 0 | 106.5 | F74 | F74-P76 HydrophobicContact CE1-CB 4.35Å; F74-P76 VanDerWaalsContact O-CD 3.23Å; F74-P76 WeakPolarHBondContact O-CD 3.23Å; F74-P76 VanDerWaalsContact O-N 3.15Å |
| 77 | R | 70.1 | Confident | 63.3 | Low | 222 Ų | 222 | 125.9 Ų | 125.9 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -55 | 129.4 | 172.2 | -87.6 | -176.9 | 173.7 | -127.4 | 0.6 | 106.3 | S75 A79 | S75-R77 PolarHBondContact O-N 3.1Å; R77-A79 PolarHBondContact O-N 3.2Å |
| 78 | P | 68.1 | Low | 64.2 | Low | 118 Ų | 118 | 129.1 Ų | 129.1 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 130.6 | 169.8 | -21.9 | 31.1 | 0 | 0 | 0 | 107.8 | H80 | P78-H80 VanDerWaalsContact C-N 3.34Å; P78-H80 PolarHBondContact O-N 3.2Å |
| 79 | A | 65.6 | Low | 64.7 | Low | 98 Ų | 98 | 130.1 Ų | 130.1 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | | | trans | -61 | 104.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | R77 P81 | R77-A79 PolarHBondContact O-N 3.2Å; A79-P81 WeakPolarHBondContact O-CD 3.42Å |
| 80 | H | 62.5 | Low | 65.3 | Low | 144 Ų | 144 | 125.1 Ų | 125.1 | 67% | 0.667 | 72% | 0.724 | S | S | * | * | | | trans | -59.7 | 113.9 | 177.8 | 174.9 | -76.4 | 0 | 0 | 0 | 106.6 | P78 F82 | P78-H80 VanDerWaalsContact C-N 3.34Å; P78-H80 PolarHBondContact O-N 3.2Å; H80-F82 PolarHBondContact O-N 3.4Å |
| 81 | P | 72.5 | Confident | 65.9 | Low | 102 Ų | 102 | 129.7 Ų | 129.7 | 66% | 0.662 | 73% | 0.733 | S | S | * | * | | | trans | -58.6 | 122.2 | 175.9 | 24.3 | -31.6 | 0 | 0 | 0 | 107.1 | A79 S83 | A79-P81 WeakPolarHBondContact O-CD 3.42Å; P81-S83 PolarHBondContact O-N 3.34Å; P81-S83 PolarHBondContact O-OG 2.9Å |
| 82 | F | 64.4 | Low | 66.6 | Low | 193 Ų | 193 | 129.9 Ų | 129.9 | 85% | 0.846 | 72% | 0.723 | S | S | * | * | | | trans | -60.9 | 101 | -176.8 | -153.5 | -89.1 | 0 | 0 | 0 | 107.8 | H80 | H80-F82 PolarHBondContact O-N 3.4Š|
| 83 | S | 64.6 | Low | 66.5 | Low | 80 Ų | 80 | 130.5 Ų | 130.5 | 56% | 0.559 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 123.7 | 177.9 | -64.6 | 0 | 0 | 0 | 0 | 106.6 | P81 | P81-S83 PolarHBondContact O-N 3.34Å; P81-S83 PolarHBondContact O-OG 2.9Å |
| 84 | P | 78.8 | Confident | 66.2 | Low | 102 Ų | 102 | 132.9 Ų | 132.9 | 66% | 0.662 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 144.5 | 178.9 | 22.1 | -30.4 | 0 | 0 | 0 | 110 | Q86 | P84-Q86 PolarHBondContact O-N 2.92Å; P84-Q86 VanDerWaalsContact O-N 3.1Å |
| 85 | P | 69.6 | Low | 65.7 | Low | 109 Ų | 109 | 133.2 Ų | 133.2 | 71% | 0.708 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 119.8 | 180 | 22.9 | -31.3 | 0 | 0 | 0 | 109.3 | I87 | P85-I87 WeakPolarHBondContact O-CG1 3.2Å; P85-I87 PolarHBondContact O-N 2.99Å |
| 86 | Q | 72.9 | Confident | 64.9 | Low | 151 Ų | 151 | 132.5 Ų | 132.5 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | | | trans | -73.4 | 113.3 | 177.2 | -64.5 | -150.2 | 18.4 | 0 | 0 | 108.8 | P84 Y88 | P84-Q86 PolarHBondContact O-N 2.92Å; P84-Q86 VanDerWaalsContact O-N 3.1Å; Q86-Y88 PolarHBondContact O-N 2.82Å |
| 87 | I | 71.4 | Confident | 64.5 | Low | 154 Ų | 154 | 134.5 Ų | 134.5 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -81.7 | -2.8 | -177.6 | -32.4 | 176.4 | 0 | 0 | 0 | 111 | P85 | P85-I87 WeakPolarHBondContact O-CG1 3.2Å; P85-I87 PolarHBondContact O-N 2.99Å |
| 88 | Y | 73 | Confident | 63.5 | Low | 191 Ų | 191 | 132.2 Ų | 132.2 | 75% | 0.749 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -130.7 | 142.8 | 174 | -65 | -75.5 | 0 | 0 | 0 | 110.2 | Q86 S90 | Q86-Y88 PolarHBondContact O-N 2.82Å; Y88-S90 PolarHBondContact O-N 3.03Å |
| 89 | P | 61.3 | Low | 62.3 | Low | 118 Ų | 118 | 132.2 Ų | 132.2 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | | | trans | -62.8 | 124.4 | 173.2 | -16.2 | 29 | 0 | 0 | 0 | 110.4 | | |
| 90 | S | 69 | Low | 61.4 | Low | 66 Ų | 66 | 135.7 Ų | 135.7 | 46% | 0.462 | 72% | 0.72 | S | S | . | * | | | trans | -75.8 | 126.6 | 173.1 | -173 | 0 | 0 | 0 | 0 | 110 | Y88 L92 | Y88-S90 PolarHBondContact O-N 3.03Å; S90-L92 PolarHBondContact O-N 3.12Å |
| 91 | N | 63 | Low | 60.6 | Low | 162 Ų | 162 | 134.4 Ų | 134.4 | 87% | 0.866 | 73% | 0.725 | S | S | * | * | | | trans | -85.4 | 9.3 | 177.3 | -67.6 | -65 | 0 | 0 | 0 | 113.3 | | |
| 92 | L | 67.4 | Low | 59.4 | Low | 132 Ų | 132 | 134.9 Ų | 134.9 | 69% | 0.691 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -85.1 | 129.6 | 173.7 | -72.7 | 126.1 | 0 | 0 | 0 | 108.9 | S90 Q94 | S90-L92 PolarHBondContact O-N 3.12Å; L92-Q94 PolarHBondContact O-N 2.9Å; L92-Q94 VanDerWaalsContact O-N 3.07Å |
| 93 | P | 50.7 | Low | 58.6 | Low | 114 Ų | 114 | 131.3 Ų | 131.3 | 74% | 0.74 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -53 | 121.4 | 169.1 | -20.3 | 30.7 | 0 | 0 | 0 | 108.1 | E95 | P93-E95 PolarHBondContact O-N 2.83Š|
| 94 | Q | 55.3 | Low | 57.7 | Low | 177 Ų | 177 | 138.8 Ų | 138.8 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -61 | 117.6 | 172.8 | -69.1 | -163.8 | -30.4 | 0 | 0 | 107.1 | L92 C96 | L92-Q94 PolarHBondContact O-N 2.9Å; L92-Q94 VanDerWaalsContact O-N 3.07Å; Q94-C96 PolarHBondContact O-N 3.09Å |
| 95 | E | 51.6 | Low | 56 | Low | 164 Ų | 164 | 140.2 Ų | 140.2 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | | | trans | -68 | 61.8 | 168.1 | -71.9 | -80 | 131 | 0 | 0 | 108.7 | P93 | P93-E95 PolarHBondContact O-N 2.83Š|
| 96 | C | 48.3 | Very low | 55.1 | Low | 88 Ų | 88 | 143.4 Ų | 143.4 | 60% | 0.595 | 75% | 0.751 | S | S | * | * | | | trans | -98.9 | 109.6 | 170.8 | -164.7 | 0 | 0 | 0 | 0 | 106.9 | Q94 | Q94-C96 PolarHBondContact O-N 3.09Š|
| 97 | N | 53.9 | Low | 53.6 | Low | 139 Ų | 139 | 141.7 Ų | 141.7 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | | | trans | 85.7 | 70.6 | 173.2 | -46.9 | -72.4 | 0 | 0 | 0 | 116.6 | P99 | N97-P99 WeakPolarHBondContact O-CD 3.2Š|
| 98 | K | 49.7 | Very low | 52.6 | Low | 174 Ų | 174 | 142 Ų | 142 | 76% | 0.757 | 76% | 0.758 | S | S | * | * | | | trans | -86.3 | 111.9 | 133.3 | -82.2 | -175.5 | -177.1 | -178.9 | 0 | 107.5 | Q100 | K98-Q100 PolarHBondContact O-N 2.95Å; K98-Q100 VanDerWaalsContact O-N 3.08Å |
| 99 | P | 43.5 | Very low | 51 | Low | 118 Ų | 118 | 140.7 Ų | 140.7 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 116.9 | 162.4 | 23.5 | -28.1 | 0 | 0 | 0 | 107 | N97 | N97-P99 WeakPolarHBondContact O-CD 3.2Š|
| 100 | Q | 46.8 | Very low | 49.8 | Very low | 171 Ų | 171 | 140 Ų | 140 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 126.6 | 172.3 | -175.8 | 168.2 | -60 | 0 | 0 | 107.9 | K98 T102 | K98-Q100 PolarHBondContact O-N 2.95Å; K98-Q100 VanDerWaalsContact O-N 3.08Å; Q100-T102 PolarHBondContact O-N 2.75Å |
| 101 | P | 45.7 | Very low | 48.6 | Very low | 117 Ų | 117 | 142.4 Ų | 142.4 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 116.6 | 175.4 | 23.3 | -29.1 | 0 | 0 | 0 | 108.2 | | |
| 102 | T | 47 | Very low | 48.3 | Very low | 113 Ų | 113 | 142 Ų | 142 | 69% | 0.693 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 128.7 | 172.5 | 47.4 | 0 | 0 | 0 | 0 | 109.1 | Q100 R104 | Q100-T102 PolarHBondContact O-N 2.75Å; T102-R104 PolarHBondContact O-N 3.46Å; T102-R104 VanDerWaalsContact O-N 3.09Å |
| 103 | P | 47.3 | Very low | 47 | Very low | 118 Ų | 118 | 144.4 Ų | 144.4 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | | | trans | -66.3 | 112.9 | 173 | 25.8 | -30 | 0 | 0 | 0 | 108.6 | T105 | P103-T105 PolarHBondContact O-N 3.48Š|
| 104 | R | 45 | Very low | 46.9 | Very low | 236 Ų | 236 | 146.1 Ų | 146.1 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | | | trans | -75.4 | 111 | 173.9 | -77.1 | -98 | -176 | 157.2 | 0.6 | 108.5 | T102 | T102-R104 PolarHBondContact O-N 3.46Å; T102-R104 VanDerWaalsContact O-N 3.09Å |
| 105 | T | 43.8 | Very low | 47.3 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | | | trans | -65.9 | 136.8 | 166.4 | -28.9 | 0 | 0 | 0 | 0 | 109.6 | P103 | P103-T105 PolarHBondContact O-N 3.48Š|
| 106 | H | 49.9 | Very low | 47.4 | Very low | 176 Ų | 176 | 140.7 Ų | 140.7 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | | | trans | -46.7 | 126.4 | -177.7 | -159.6 | -104.2 | 0 | 0 | 0 | 113.8 | | |
| 107 | S | 41.6 | Very low | 47.4 | Very low | 115 Ų | 115 | 143.6 Ų | 143.6 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | -147.7 | 137.6 | 156.5 | 52 | 0 | 0 | 0 | 0 | 110.5 | | |
| 108 | L | 50.3 | Low | 47.5 | Very low | 160 Ų | 160 | 143.8 Ų | 143.8 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | | | trans | -85.6 | 102.3 | -161.3 | -171.6 | 81.5 | 0 | 0 | 0 | 110.2 | | |
| 109 | D | 40 | Very low | 47.4 | Very low | 164 Ų | 164 | 142.6 Ų | 142.6 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | | | trans | -169.2 | 136.1 | 149.6 | -156.4 | -154.3 | 0 | 0 | 0 | 110.2 | | |
| 110 | S | 35.8 | Very low | 47.1 | Very low | 103 Ų | 103 | 143 Ų | 143 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | | | trans | -81.8 | 171.4 | -173.4 | -164.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 111 | P | 44.5 | Very low | 47.1 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | cis | -128.5 | 165.3 | 7.9 | 35.3 | -14.3 | 0 | 0 | 0 | 116.6 | E113 | P111-E113 PolarHBondContact O-N 2.75Å; P111-E113 VanDerWaalsContact O-N 3.16Å |
| 112 | M | 55.5 | Low | 47 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | | | trans | -52.8 | 99.3 | -179.2 | -167.7 | 171.4 | -157.5 | 0 | 0 | 114.5 | F114 | M112-F114 HydrophobicContact CE-CD2 4.4Å; M112-F114 HydrophobicContact CE-CE1 3.91Å; M112-F114 HydrophobicContact CE-CE2 3.46Å; M112-F114 VanDerWaalsContact CE-CE2 3.46Å; M112-F114 HydrophobicContact CE-CZ 3.17Å; M112-F114 HydrophobicContact CG-CD2 3.84Å; M112-F114 HydrophobicContact CG-CE2 3.59Å; M112-F114 HydrophobicContact CG-CZ 4.28Å; M112-F114 HydrophobicContact SD-CD2 4.28Å; M112-F114 HydrophobicContact SD-CE2 3.42Å; M112-F114 WeakPolarHBondContact SD-CE2 3.47Å; M112-F114 HydrophobicContact SD-CZ 3.8Å |
| 113 | E | 41.3 | Very low | 47.2 | Very low | 183 Ų | 183 | 140.8 Ų | 140.8 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | | | trans | -94.2 | 99 | 165.7 | -167.9 | -173.5 | 134.6 | 0 | 0 | 109.5 | P111 | P111-E113 PolarHBondContact O-N 2.75Å; P111-E113 VanDerWaalsContact O-N 3.16Å |
| 114 | F | 49.3 | Very low | 47.1 | Very low | 151 Ų | 151 | 140 Ų | 140 | 66% | 0.662 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 131.5 | 167.5 | -76.1 | -92.3 | 0 | 0 | 0 | 109.8 | M112 | M112-F114 HydrophobicContact CE-CD2 4.4Å; M112-F114 HydrophobicContact CE-CE1 3.91Å; M112-F114 HydrophobicContact CE-CE2 3.46Å; M112-F114 VanDerWaalsContact CE-CE2 3.46Å; M112-F114 HydrophobicContact CE-CZ 3.17Å; M112-F114 HydrophobicContact CG-CD2 3.84Å; M112-F114 HydrophobicContact CG-CE2 3.59Å; M112-F114 HydrophobicContact CG-CZ 4.28Å; M112-F114 HydrophobicContact SD-CD2 4.28Å; M112-F114 HydrophobicContact SD-CE2 3.42Å; M112-F114 WeakPolarHBondContact SD-CE2 3.47Å; M112-F114 HydrophobicContact SD-CZ 3.8Å |
| 115 | P | 63.8 | Low | 47.8 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 144.1 | 170.5 | 26.6 | -32 | 0 | 0 | 0 | 110.2 | M117 | P115-M117 PolarHBondContact O-N 3.41Š|
| 116 | P | 52.7 | Low | 48.1 | Very low | 118 Ų | 118 | 144.2 Ų | 144.2 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 128.6 | -172.6 | 24.4 | -33.2 | 0 | 0 | 0 | 111.5 | V118 | P116-V118 PolarHBondContact O-N 3.25Å; P116-V118 VanDerWaalsContact O-N 3.09Å |
| 117 | M | 49.1 | Very low | 48.3 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | trans | -54.8 | 106.3 | 168.3 | -169.2 | -175.8 | -44.2 | 0 | 0 | 109.8 | P115 H119 | P115-M117 PolarHBondContact O-N 3.41Å; M117-H119 VanDerWaalsContact C-N 3.29Å; M117-H119 PolarHBondContact O-N 2.88Å; M117-H119 PolarHBondContact SD-CE1 3.22Å; M117-H119 PolarHBondContact SD-ND1 3.09Å |
| 118 | V | 55.4 | Low | 49 | Very low | 143 Ų | 143 | 144.7 Ų | 144.7 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | | | trans | -70.2 | 90.9 | 167.5 | -77.1 | 0 | 0 | 0 | 0 | 108.8 | P116 C120 | P116-V118 PolarHBondContact O-N 3.25Å; P116-V118 VanDerWaalsContact O-N 3.09Å; V118-C120 PolarHBondContact O-N 2.98Å |
| 119 | H | 47.5 | Very low | 48.9 | Very low | 149 Ų | 149 | 143.2 Ų | 143.2 | 69% | 0.69 | 78% | 0.776 | S | S | * | * | | | trans | -68.1 | 116.9 | 169.5 | -104 | 83.6 | 0 | 0 | 0 | 110.2 | M117 | M117-H119 VanDerWaalsContact C-N 3.29Å; M117-H119 PolarHBondContact O-N 2.88Å; M117-H119 PolarHBondContact SD-CE1 3.22Å; M117-H119 PolarHBondContact SD-ND1 3.09Å |
| 120 | C | 37 | Very low | 49.7 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | | | | 63.9 | 120.4 | 126.1 | -151.8 | 0 | 0 | 0 | 0 | 120.2 | V118 | V118-C120 PolarHBondContact O-N 2.98Š|
| 121 | G | 46.1 | Very low | 50.9 | Low | 76 Ų | 76 | 143.5 Ų | 143.5 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | | | trans | 134.4 | 114.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 122 | Q | 44 | Very low | 51.5 | Low | 189 Ų | 189 | 143.5 Ų | 143.5 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | | | cis | -160 | 127.7 | 27.3 | -165.9 | 173.3 | 20.1 | 0 | 0 | 107 | S124 | Q122-S124 PolarHBondContact O-N 3.14Š|
| 123 | A | 50.8 | Low | 51.6 | Low | 90 Ų | 90 | 144.4 Ų | 144.4 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | | | trans | -64.3 | 101.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | R125 | A123-R125 PolarHBondContact O-N 3.09Å; A123-R125 VanDerWaalsContact O-N 3.09Å |
| 124 | S | 46.9 | Very low | 52.4 | Low | 101 Ų | 101 | 140.5 Ų | 140.5 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | | | trans | -82.4 | 78.2 | 162.1 | -158.9 | 0 | 0 | 0 | 0 | 108.2 | Q122 R126 | Q122-S124 PolarHBondContact O-N 3.14Å; S124-R126 PolarHBondContact O-N 3.48Å |
| 125 | R | 59.4 | Low | 52.9 | Low | 230 Ų | 230 | 141.8 Ų | 141.8 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | | | trans | -64.3 | 93.1 | 157.9 | -69 | -168.7 | -165.5 | -107.7 | 5.4 | 106.5 | A123 K127 | A123-R125 PolarHBondContact O-N 3.09Å; A123-R125 VanDerWaalsContact O-N 3.09Å; R125-K127 PolarHBondContact O-N 2.88Å |
| 126 | R | 49.5 | Very low | 52.7 | Low | 229 Ų | 229 | 145 Ų | 145 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | | | trans | -74.1 | 92.6 | 158.1 | -71.4 | -162.3 | 178.5 | -161.6 | 0.8 | 106.8 | S124 V128 | S124-R126 PolarHBondContact O-N 3.48Å; R126-V128 PolarHBondContact O-N 2.94Å |
| 127 | K | 54 | Low | 52.7 | Low | 176 Ų | 176 | 146.9 Ų | 146.9 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | | | trans | -54.4 | 123.7 | 170.4 | -155.5 | 156.4 | 168 | 179.7 | 0 | 106.8 | R125 D129 | R125-K127 PolarHBondContact O-N 2.88Å; K127-D129 PolarHBondContact O-N 2.67Å |
| 128 | V | 55.9 | Low | 52.8 | Low | 125 Ų | 125 | 151.3 Ų | 151.3 | 76% | 0.758 | 80% | 0.804 | S | S | * | * | | | trans | -63.5 | 105.2 | 170.4 | 173.9 | 0 | 0 | 0 | 0 | 106.2 | R126 C130 | R126-V128 PolarHBondContact O-N 2.94Å; V128-C130 PolarHBondContact O-N 2.92Å |
| 129 | D | 49.3 | Very low | 52.5 | Low | 128 Ų | 128 | 160 Ų | 160 | 68% | 0.684 | 82% | 0.821 | S | S | * | * | | | trans | -78.9 | 102.7 | 172.1 | -75.1 | -47.6 | 0 | 0 | 0 | 108.2 | K127 H131 | K127-D129 PolarHBondContact O-N 2.67Å; D129-H131 PolarHBondContact O-N 2.94Å |
| 130 | C | 56.8 | Low | 52.7 | Low | 109 Ų | 109 | 160.6 Ų | 160.6 | 74% | 0.736 | 83% | 0.828 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | 31 | 177.3 | -63.1 | 0 | 0 | 0 | 0 | 114 | V128 | V128-C130 PolarHBondContact O-N 2.92Š|
| 131 | H | 61.3 | Low | 53.5 | Low | 164 Ų | 164 | 162.4 Ų | 162.4 | 76% | 0.759 | 83% | 0.827 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | 7.4 | -177.7 | -81.6 | -57.3 | 0 | 0 | 0 | 115.2 | D129 L133 | D129-H131 PolarHBondContact O-N 2.94Å; H131-L133 VanDerWaalsContact C-N 3.32Å; H131-L133 PolarHBondContact O-N 2.89Å |
| 132 | S | 55.9 | Low | 54 | Low | 117 Ų | 117 | 167.2 Ų | 167.2 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | | | trans | -93.5 | 33.2 | 175.7 | -161.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 133 | L | 58 | Low | 54.5 | Low | 171 Ų | 171 | 165.9 Ų | 165.9 | 90% | 0.895 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -124.8 | 41.2 | 173.6 | -75.2 | 178.4 | 0 | 0 | 0 | 112.5 | H131 | H131-L133 VanDerWaalsContact C-N 3.32Å; H131-L133 PolarHBondContact O-N 2.89Å |
| 134 | S | 57.9 | Low | 54.8 | Low | 101 Ų | 101 | 170.7 Ų | 170.7 | 71% | 0.706 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -131.8 | 18 | 173.8 | 68.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 135 | H | 60.4 | Low | 55.3 | Low | 178 Ų | 178 | 175.3 Ų | 175.3 | 82% | 0.824 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -122.4 | 14.8 | -175.8 | -124.5 | -68.6 | 0 | 0 | 0 | 116.2 | | |
| 136 | L | 58.7 | Low | 55 | Low | 176 Ų | 176 | 171.4 Ų | 171.4 | 92% | 0.921 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -125.6 | 43 | 174.8 | -151.6 | 73.8 | 0 | 0 | 0 | 112.6 | | |
| 137 | D | 52.6 | Low | 55.4 | Low | 158 Ų | 158 | 167 Ų | 167 | 85% | 0.845 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -143.5 | 48.2 | 167.5 | -164.5 | 61.8 | 0 | 0 | 0 | 111.5 | | |
| 138 | R | 52 | Low | 55.6 | Low | 242 Ų | 242 | 166.3 Ų | 166.3 | 91% | 0.913 | 84% | 0.841 | S | S | * | * | | | trans | -163.1 | 85.9 | 160.2 | -151.1 | 170.6 | 177.3 | 170.9 | -1 | 112.4 | | |
| 139 | R | 47.8 | Very low | 55.5 | Low | 326 Ų | 326 | 170 Ų | 170 | 100% | 1.23 | 85% | 0.849 | S | S | * | * | | | trans | -167.6 | 0 | 144.2 | -108.6 | 172.9 | -170.2 | -130.5 | 2.5 | 110.7 | | |