| 1 | M | 44.6 | Very low | 56.8 | Low | 227 Ų | 227 | 166.5 Ų | 166.5 | 100% | 1.118 | 83% | 0.83 | S | S | * | * | | | | 0 | 135.6 | 0 | -86.2 | 84.5 | 160.1 | 0 | 0 | 109.2 | | |
| 2 | N | 52.7 | Low | 56.7 | Low | 160 Ų | 160 | 159.1 Ų | 159.1 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | | | trans | 91 | 68.4 | 168.9 | -42 | -24.8 | 0 | 0 | 0 | 116.4 | | |
| 3 | E | 48.5 | Very low | 56.7 | Low | 164 Ų | 164 | 161.2 Ų | 161.2 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | | | trans | -74.7 | 130.6 | 153.8 | -72.5 | 168.5 | 84.2 | 0 | 0 | 109.5 | H5 | E3-H5 IonicContact OE1-CD2 3.65Å; E3-H5 IonicContact OE1-CE1 3.74Å; E3-H5 IonicContact OE1-NE2 2.74Å; E3-H5 PolarHBondContact OE1-NE2 3.48Å |
| 4 | A | 63.6 | Low | 57 | Low | 96 Ų | 96 | 157.4 Ų | 157.4 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | | | trans | -123 | 84.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | T6 | A4-T6 PolarHBondContact O-N 2.74Š|
| 5 | H | 57.4 | Low | 57.1 | Low | 154 Ų | 154 | 158.4 Ų | 158.4 | 71% | 0.713 | 82% | 0.817 | S | S | * | * | | | trans | -72.7 | 115.2 | 171 | -69.2 | -86.8 | 0 | 0 | 0 | 109.6 | E3 | E3-H5 IonicContact OE1-CD2 3.65Å; E3-H5 IonicContact OE1-CE1 3.74Å; E3-H5 IonicContact OE1-NE2 2.74Å; E3-H5 PolarHBondContact OE1-NE2 3.48Å |
| 6 | T | 63.6 | Low | 57.1 | Low | 133 Ų | 133 | 160.4 Ų | 160.4 | 82% | 0.816 | 83% | 0.828 | S | S | * | * | | | trans | -134.3 | 86.6 | 168.4 | 37.2 | 0 | 0 | 0 | 0 | 111.2 | A4 | A4-T6 PolarHBondContact O-N 2.74Š|
| 7 | R | 60.8 | Low | 56.5 | Low | 240 Ų | 240 | 162.1 Ų | 162.1 | 91% | 0.906 | 83% | 0.834 | S | S | * | * | | | trans | -146.3 | 142.3 | 146.5 | -75.6 | -162.6 | 168.5 | 178.7 | -3.9 | 105.6 | | |
| 8 | P | 52.7 | Low | 56 | Low | 112 Ų | 112 | 157.4 Ų | 157.4 | 73% | 0.727 | 83% | 0.832 | S | S | * | * | | | | -148.7 | 155.8 | 52.1 | 35.1 | -13.2 | 0 | 0 | 0 | 116.6 | | |
| 9 | N | 60.6 | Low | 56 | Low | 143 Ų | 143 | 154.3 Ų | 154.3 | 77% | 0.765 | 83% | 0.831 | S | S | * | * | | | trans | -122.6 | 78.3 | 159.9 | -170.3 | -57.3 | 0 | 0 | 0 | 107.4 | | |
| 10 | R | 63.1 | Low | 56.1 | Low | 227 Ų | 227 | 153 Ų | 153 | 86% | 0.857 | 83% | 0.831 | S | S | * | * | | | trans | -118.4 | -10.1 | 179.3 | -168.8 | 170.5 | 175.9 | 107.7 | -0.4 | 112.9 | | |
| 11 | E | 57.5 | Low | 55.5 | Low | 175 Ų | 175 | 155 Ų | 155 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -98.1 | -5.4 | -174 | -67.9 | -176.6 | 87.4 | 0 | 0 | 114.5 | Q13 | E11-Q13 VanDerWaalsContact C-N 3.32Å; E11-Q13 PolarHBondContact O-N 3.27Å |
| 12 | A | 55.5 | Low | 56 | Low | 78 Ų | 78 | 148.7 Ų | 148.7 | 65% | 0.645 | 82% | 0.819 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | 1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 13 | Q | 56.4 | Low | 55.6 | Low | 187 Ų | 187 | 150.4 Ų | 150.4 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 3.7 | -176.8 | -66.9 | -166.3 | -1.7 | 0 | 0 | 115.1 | E11 | E11-Q13 VanDerWaalsContact C-N 3.32Å; E11-Q13 PolarHBondContact O-N 3.27Å |
| 14 | S | 60.8 | Low | 55.8 | Low | 107 Ų | 107 | 149.3 Ų | 149.3 | 75% | 0.748 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -105.2 | 11 | -171 | -162.4 | 0 | 0 | 0 | 0 | 116.3 | | |
| 15 | M | 58.7 | Low | 55.1 | Low | 173 Ų | 173 | 148.4 Ų | 148.4 | 85% | 0.852 | 81% | 0.814 | S | S | * | * | | | trans | -114.6 | 15.7 | -167.6 | -66.4 | -74.1 | -160.8 | 0 | 0 | 116.4 | | |
| 16 | L | 56.4 | Low | 55.1 | Low | 190 Ų | 190 | 146.6 Ų | 146.6 | 100% | 0.995 | 82% | 0.816 | S | S | * | * | | | trans | -105 | 67.6 | 176.1 | -130.6 | 91.8 | 0 | 0 | 0 | 112.1 | | |
| 17 | M | 47.4 | Very low | 54.4 | Low | 190 Ų | 190 | 145.9 Ų | 145.9 | 94% | 0.936 | 81% | 0.811 | S | S | * | * | | | trans | -121.8 | 113.8 | 165.6 | -174.7 | 178.8 | -70.4 | 0 | 0 | 107.6 | | |
| 18 | G | 47.7 | Very low | 53.9 | Low | 77 Ų | 77 | 138.9 Ų | 138.9 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | | | trans | 148.4 | 87.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 19 | A | 56.6 | Low | 53.8 | Low | 98 Ų | 98 | 138 Ų | 138 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | | | trans | -162.7 | 115.6 | 145.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 20 | P | 58.1 | Low | 53.4 | Low | 128 Ų | 128 | 140 Ų | 140 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | | | trans | -79.8 | 165.4 | 178.5 | 33.6 | -33.3 | 0 | 0 | 0 | 112.1 | | |
| 21 | E | 43.2 | Very low | 52.9 | Low | 197 Ų | 197 | 133.1 Ų | 133.1 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | | | trans | -50.7 | 135.2 | -171.4 | -56.1 | 174.1 | 97.5 | 0 | 0 | 114 | | |
| 22 | A | 55.5 | Low | 52.6 | Low | 93 Ų | 93 | 133.3 Ų | 133.3 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | | | trans | -115.3 | 107.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | T24 | A22-T24 PolarHBondContact O-N 2.92Š|
| 23 | E | 43.7 | Very low | 52.6 | Low | 197 Ų | 197 | 134.5 Ų | 134.5 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | | | trans | -39.9 | 122.5 | 171.5 | -68.6 | 173.1 | 68.8 | 0 | 0 | 112.4 | | |
| 24 | T | 51.8 | Low | 52.4 | Low | 140 Ų | 140 | 135.1 Ų | 135.1 | 86% | 0.859 | 82% | 0.816 | S | S | * | * | | | trans | -106.9 | 100.8 | 163.2 | -61.1 | 0 | 0 | 0 | 0 | 107.9 | A22 | A22-T24 PolarHBondContact O-N 2.92Š|
| 25 | S | 49.4 | Very low | 52 | Low | 77 Ų | 77 | 136.2 Ų | 136.2 | 54% | 0.538 | 82% | 0.818 | S | S | . | * | | | trans | -54.3 | 135.4 | 179.9 | 176.7 | 0 | 0 | 0 | 0 | 112.7 | V27 | S25-V27 PolarHBondContact O-N 2.91Å; S25-V27 VanDerWaalsContact O-N 3.07Å |
| 26 | P | 58.7 | Low | 51.6 | Low | 117 Ų | 117 | 134.2 Ų | 134.2 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | G | 310 helix | trans | -71.5 | 5.4 | -178.3 | 28.5 | -34.5 | 0 | 0 | 0 | 115.1 | A28 | P26-A28 PolarHBondContact O-N 3.27Š|
| 27 | V | 48.4 | Very low | 51.2 | Low | 118 Ų | 118 | 129 Ų | 129 | 72% | 0.715 | 81% | 0.812 | S | S | * | * | G | 310 helix | trans | -81.2 | -9.3 | -172.2 | 175 | 0 | 0 | 0 | 0 | 113.9 | S25 | S25-V27 PolarHBondContact O-N 2.91Å; S25-V27 VanDerWaalsContact O-N 3.07Å |
| 28 | A | 50.3 | Low | 51 | Low | 93 Ų | 93 | 129.3 Ų | 129.3 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | G | 310 helix | trans | -85.5 | -5.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | P26 | P26-A28 PolarHBondContact O-N 3.27Š|
| 29 | A | 50.9 | Low | 51.1 | Low | 94 Ų | 94 | 133.1 Ų | 133.1 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | G | 310 helix | trans | -87.2 | -11.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 30 | E | 52 | Low | 50.9 | Low | 185 Ų | 185 | 139 Ų | 139 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -98.7 | -0.5 | -168.5 | -136.9 | 172.6 | 100.3 | 0 | 0 | 114.7 | | |
| 31 | A | 52.1 | Low | 50.5 | Low | 81 Ų | 81 | 141.5 Ų | 141.5 | 67% | 0.669 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -1.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 32 | M | 51.4 | Low | 51.1 | Low | 180 Ų | 180 | 137 Ų | 137 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | 11.1 | -170.1 | -59.2 | -61.9 | -79 | 0 | 0 | 115.7 | K34 | M32-K34 VanDerWaalsContact C-N 3.31Å; M32-K34 PolarHBondContact O-N 3.36Å |
| 33 | A | 54.6 | Low | 50.5 | Low | 102 Ų | 102 | 139.4 Ų | 139.4 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -89.4 | 22.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 34 | K | 52.8 | Low | 51.2 | Low | 201 Ų | 201 | 141.1 Ų | 141.1 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | | | trans | -137.8 | 69.6 | -169 | -139.4 | 144.1 | -177.7 | -118.8 | 0 | 112.3 | M32 | M32-K34 VanDerWaalsContact C-N 3.31Å; M32-K34 PolarHBondContact O-N 3.36Å |
| 35 | V | 52 | Low | 50.9 | Low | 130 Ų | 130 | 140.6 Ų | 140.6 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | | | trans | -134.7 | 107 | 168.7 | 167.1 | 0 | 0 | 0 | 0 | 110 | | |
| 36 | C | 50.2 | Low | 51 | Low | 130 Ų | 130 | 141.2 Ų | 141.2 | 88% | 0.878 | 81% | 0.81 | S | S | * | * | | | trans | 55.3 | 117.9 | 142.4 | -62.2 | 0 | 0 | 0 | 0 | 120.1 | | |
| 37 | G | 49.6 | Very low | 50.5 | Low | 82 Ų | 82 | 140.1 Ų | 140.1 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | | | trans | 168.9 | 35.7 | 158.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 38 | E | 41.8 | Very low | 50.5 | Low | 195 Ų | 195 | 140.6 Ų | 140.6 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | | | trans | -80.7 | 108.2 | 165 | -168.3 | 175 | 115.9 | 0 | 0 | 107.4 | | |
| 39 | E | 50.5 | Low | 50.2 | Low | 158 Ų | 158 | 142.3 Ų | 142.3 | 74% | 0.738 | 82% | 0.815 | S | S | * | * | | | trans | -179.5 | 115.4 | 143.7 | -100.8 | -132.3 | 88.3 | 0 | 0 | 112.6 | | |
| 40 | R | 53.1 | Low | 50.3 | Low | 220 Ų | 220 | 143.6 Ų | 143.6 | 83% | 0.83 | 82% | 0.818 | S | S | * | * | | | | 47.2 | 122.6 | 129 | -53.2 | -152.9 | 165.4 | 171.9 | -5 | 118.2 | | |
| 41 | E | 48.9 | Very low | 49.9 | Very low | 182 Ų | 182 | 142.8 Ų | 142.8 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | | | | -180 | 136.7 | 102.7 | -170.4 | 146.8 | 87.7 | 0 | 0 | 112.1 | | |
| 42 | S | 56.1 | Low | 49.6 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 71% | 0.713 | 83% | 0.825 | S | S | * | * | | | trans | 61.2 | 83.8 | 151.6 | -72.8 | 0 | 0 | 0 | 0 | 120.1 | R44 | S42-R44 PolarHBondContact O-N 3.35Å; S42-R44 VanDerWaalsContact O-N 3.11Å |
| 43 | T | 43.3 | Very low | 49.3 | Very low | 143 Ų | 143 | 138.6 Ų | 138.6 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | | | trans | -39.2 | 105.6 | 136.7 | -49.3 | 0 | 0 | 0 | 0 | 112 | | |
| 44 | R | 57.6 | Low | 48.5 | Very low | 233 Ų | 233 | 140.9 Ų | 140.9 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | | | trans | -153.2 | 98.1 | 151.2 | -152.5 | 170.9 | 169.7 | 175.8 | -4.5 | 113.3 | S42 | S42-R44 PolarHBondContact O-N 3.35Å; S42-R44 VanDerWaalsContact O-N 3.11Å |
| 45 | T | 45.3 | Very low | 48.2 | Very low | 129 Ų | 129 | 136.4 Ų | 136.4 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | | | trans | 10.9 | 143.5 | 139 | -37.2 | 0 | 0 | 0 | 0 | 121 | | |
| 46 | A | 52.2 | Low | 47.7 | Very low | 91 Ų | 91 | 134.6 Ų | 134.6 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | | | trans | 100.7 | 99.8 | 154.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 47 | A | 47.5 | Very low | 47.3 | Very low | 93 Ų | 93 | 133.5 Ų | 133.5 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | | 103.6 | 132.7 | 63.7 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 48 | T | 47.4 | Very low | 46.9 | Very low | 129 Ų | 129 | 137.4 Ų | 137.4 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | trans | 81.2 | 84.8 | 154.1 | -45.1 | 0 | 0 | 0 | 0 | 117.5 | | |
| 49 | T | 44.8 | Very low | 46.9 | Very low | 128 Ų | 128 | 133.6 Ų | 133.6 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | | | | 16.6 | 119.4 | 128.7 | -16.3 | 0 | 0 | 0 | 0 | 118.6 | | |
| 50 | S | 53.5 | Low | 46.8 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | | | trans | -152.9 | 134.1 | 142 | -84.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 51 | D | 43.2 | Very low | 46.6 | Very low | 168 Ų | 168 | 125.6 Ų | 125.6 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | | | trans | -27.4 | 127.3 | 175.6 | -92.2 | -100.7 | 0 | 0 | 0 | 116.9 | | |
| 52 | A | 45.8 | Very low | 46.4 | Very low | 95 Ų | 95 | 123.5 Ų | 123.5 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | trans | -159.8 | 139.3 | 147.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 53 | A | 45.7 | Very low | 45.6 | Very low | 79 Ų | 79 | 125.5 Ų | 125.5 | 65% | 0.653 | 77% | 0.772 | S | S | * | * | | | trans | 78.7 | 84.7 | 153.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | T55 | A53-T55 PolarHBondContact O-N 3.06Š|
| 54 | V | 38.1 | Very low | 45.7 | Very low | 149 Ų | 149 | 123.6 Ų | 123.6 | 90% | 0.903 | 76% | 0.762 | S | S | * | * | | | | -31.8 | 106.5 | 125.8 | 161.6 | 0 | 0 | 0 | 0 | 109 | | |
| 55 | T | 46.5 | Very low | 44.8 | Very low | 107 Ų | 107 | 116.3 Ų | 116.3 | 66% | 0.656 | 75% | 0.746 | S | S | * | * | | | trans | -129.4 | 108.8 | 164.9 | -46.9 | 0 | 0 | 0 | 0 | 106.5 | A53 | A53-T55 PolarHBondContact O-N 3.06Š|
| 56 | S | 41.4 | Very low | 45.1 | Very low | 93 Ų | 93 | 115 Ų | 115 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | | | trans | -37.9 | 135.6 | 177 | -68.5 | 0 | 0 | 0 | 0 | 112.2 | Q58 | S56-Q58 VanDerWaalsContact C-N 3.3Å; S56-Q58 PolarHBondContact O-N 3.27Å |
| 57 | A | 41.1 | Very low | 45.2 | Very low | 107 Ų | 107 | 120.2 Ų | 120.2 | 88% | 0.884 | 74% | 0.74 | S | S | * | * | | | trans | -50.7 | 96.4 | 158.6 | 0 | 0 | 0 | 0 | 0 | 109 | D59 | A57-D59 PolarHBondContact O-N 3.18Š|
| 58 | Q | 41.3 | Very low | 46 | Very low | 163 Ų | 163 | 124.8 Ų | 124.8 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | | | trans | -81.2 | 108.7 | 173.3 | -76.9 | -178.6 | -86.3 | 0 | 0 | 107.8 | S56 | S56-Q58 VanDerWaalsContact C-N 3.3Å; S56-Q58 PolarHBondContact O-N 3.27Å |
| 59 | D | 40.9 | Very low | 46.6 | Very low | 116 Ų | 116 | 123 Ų | 123 | 62% | 0.62 | 73% | 0.73 | S | S | * | * | | | trans | -44.3 | 129.4 | 160.3 | -178.3 | -83.1 | 0 | 0 | 0 | 110.2 | A57 A61 | A57-D59 PolarHBondContact O-N 3.18Å; D59-A61 PolarHBondContact O-N 3Å; D59-A61 WeakPolarHBondContact OD1-CB 3.06Å; D59-A61 PolarHBondContact OD1-N 2.74Å |
| 60 | P | 48.8 | Very low | 47.8 | Very low | 133 Ų | 133 | 121.1 Ų | 121.1 | 86% | 0.864 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 9.1 | -172.8 | 27.9 | -34.3 | 0 | 0 | 0 | 114.7 | | |
| 61 | A | 48.9 | Very low | 48.7 | Very low | 76 Ų | 76 | 119.2 Ų | 119.2 | 63% | 0.628 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -9.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | D59 | D59-A61 PolarHBondContact O-N 3Å; D59-A61 WeakPolarHBondContact OD1-CB 3.06Å; D59-A61 PolarHBondContact OD1-N 2.74Å |
| 62 | D | 45.4 | Very low | 50 | Low | 138 Ų | 138 | 120.7 Ų | 120.7 | 74% | 0.738 | 69% | 0.688 | S | S | * | * | | | trans | -113.6 | -1.5 | -166.8 | -152.3 | -114.5 | 0 | 0 | 0 | 116.9 | P64 | D62-P64 WeakPolarHBondContact O-CD 3.07Å; D62-P64 VanDerWaalsContact O-N 3.12Å |
| 63 | E | 38.7 | Very low | 51.7 | Low | 144 Ų | 144 | 120.3 Ų | 120.3 | 67% | 0.673 | 68% | 0.676 | S | S | * | * | | | trans | -73 | 111.8 | -179.2 | -161.7 | -163.5 | 103.4 | 0 | 0 | 111.3 | C65 R98 | E63-C65 PolarHBondContact O-N 2.81Å; E63-R98 VanDerWaalsContact O-CZ 3.24Å; E63-R98 PolarHBondContact O-NH1 2.97Å; E63-R98 PolarHBondContact O-NH2 2.68Å |
| 64 | P | 46.1 | Very low | 53.5 | Low | 103 Ų | 103 | 121.3 Ų | 121.3 | 67% | 0.669 | 67% | 0.669 | S | S | * | * | | | trans | -68.1 | 105.2 | 178.5 | 29.4 | -32.3 | 0 | 0 | 0 | 108.7 | D62 | D62-P64 WeakPolarHBondContact O-CD 3.07Å; D62-P64 VanDerWaalsContact O-N 3.12Å |
| 65 | C | 39.1 | Very low | 55.5 | Low | 81 Ų | 81 | 123.2 Ų | 123.2 | 55% | 0.547 | 66% | 0.66 | S | S | . | * | | | trans | -54.2 | 130.6 | 174.7 | -77.4 | 0 | 0 | 0 | 0 | 107.3 | E63 R67 R98 | E63-C65 PolarHBondContact O-N 2.81Å; C65-R67 PolarHBondContact O-N 2.85Å; C65-R67 VanDerWaalsContact O-N 3.13Å; C65-R98 PolarHBondContact SG-NH1 2.93Å |
| 66 | P | 51.5 | Low | 57.2 | Low | 101 Ų | 101 | 127.6 Ų | 127.6 | 66% | 0.656 | 67% | 0.665 | S | S | * | * | | | trans | -55.1 | 125.4 | 179 | 20.8 | -30.8 | 0 | 0 | 0 | 108.6 | R68 | P66-R68 VanDerWaalsContact C-N 3.32Å; P66-R68 PolarHBondContact O-N 3.09Å |
| 67 | R | 54 | Low | 59 | Low | 201 Ų | 201 | 127 Ų | 127 | 76% | 0.758 | 66% | 0.657 | S | S | * | * | | | trans | -61.8 | 97 | 177 | -80.5 | -172.5 | -174.1 | -132.1 | 18 | 108.4 | C65 S69 K100 | C65-R67 PolarHBondContact O-N 2.85Å; C65-R67 VanDerWaalsContact O-N 3.13Å; R67-S69 VanDerWaalsContact C-N 3.29Å; R67-S69 PolarHBondContact O-N 3.1Å; R67-K100 VanDerWaalsContact NH2-CD 3.34Å |
| 68 | R | 63.2 | Low | 60.7 | Low | 188 Ų | 188 | 129.2 Ų | 129.2 | 71% | 0.709 | 65% | 0.654 | S | S | * | * | | | trans | -85.1 | 76 | -174.7 | -163.2 | -178.1 | -100.9 | -124.2 | 7.2 | 108.3 | P66 Y71 | P66-R68 VanDerWaalsContact C-N 3.32Å; P66-R68 PolarHBondContact O-N 3.09Å; R68-Y71 HydrophobicContact CB-CE2 4.3Å; R68-Y71 WeakPolarHBondContact CB-OH 3.37Å; R68-Y71 WeakPolarHBondContact CD-OH 3.31Å; R68-Y71 WeakPolarHBondContact CG-OH 3.23Å; R68-Y71 WeakPolarHBondContact O-CE1 3.46Å; R68-Y71 WeakPolarHBondContact O-CE2 3.16Å; R68-Y71 PolarHBondContact O-OH 3.05Å |
| 69 | S | 61.4 | Low | 62.6 | Low | 93 Ų | 93 | 128.8 Ų | 128.8 | 65% | 0.65 | 65% | 0.65 | S | S | * | * | | | trans | 58.6 | 155.1 | 172.8 | -155.6 | 0 | 0 | 0 | 0 | 116.3 | R67 Y71 | R67-S69 VanDerWaalsContact C-N 3.29Å; R67-S69 PolarHBondContact O-N 3.1Å; S69-Y71 PolarHBondContact O-N 3.4Å; S69-Y71 VanDerWaalsContact O-N 3.08Å |
| 70 | P | 70 | Confident | 64.6 | Low | 88 Ų | 88 | 125.2 Ų | 125.2 | 57% | 0.571 | 63% | 0.632 | S | S | * | * | | | trans | -64.5 | 110.6 | 166.2 | 25.8 | -34.7 | 0 | 0 | 0 | 109.8 | A102 | P70-A102 HydrophobicContact CB-CB 4Š|
| 71 | Y | 70.9 | Confident | 66.1 | Low | 81 Ų | 81 | 120 Ų | 120 | 32% | 0.318 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -81.9 | 139.5 | 173.6 | -58.2 | -72.1 | 0 | 0 | 0 | 111.6 | R68 S69 V73 V83 D84 A85 | R68-Y71 HydrophobicContact CB-CE2 4.3Å; R68-Y71 WeakPolarHBondContact CB-OH 3.37Å; R68-Y71 WeakPolarHBondContact CD-OH 3.31Å; R68-Y71 WeakPolarHBondContact CG-OH 3.23Å; R68-Y71 WeakPolarHBondContact O-CE1 3.46Å; R68-Y71 WeakPolarHBondContact O-CE2 3.16Å; R68-Y71 PolarHBondContact O-OH 3.05Å; S69-Y71 PolarHBondContact O-N 3.4Å; S69-Y71 VanDerWaalsContact O-N 3.08Å; Y71-V73 PolarHBondContact O-N 3.16Å; Y71-V83 HydrophobicContact CD2-CG2 4.4Å; Y71-V83 HydrophobicContact CG-CB 4.36Å; Y71-V83 HydrophobicContact CG-CG2 4.3Å; Y71-D84 WeakPolarHBondContact CD1-O 3.09Å; Y71-A85 HydrophobicContact CD1-CB 4.14Å; Y71-A85 HydrophobicContact CE1-CB 3.7Å |
| 72 | R | 71 | Confident | 67.7 | Low | 199 Ų | 199 | 117.6 Ų | 117.6 | 75% | 0.751 | 57% | 0.573 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -72.1 | 125.3 | 172.5 | -69.7 | -177.6 | -178.5 | -95.2 | -0.1 | 109.2 | L74 V83 D84 | R72-L74 PolarHBondContact O-N 3Å; R72-V83 CarbonylContact O-C 3.56Å; R72-V83 VanDerWaalsContact O-CA 3.23Å; R72-V83 WeakPolarHBondContact O-CA 3.37Å; R72-D84 PolarHBondContact O-N 3.11Å |
| 73 | V | 81 | Confident | 69.5 | Low | 87 Ų | 87 | 111.2 Ų | 111.2 | 53% | 0.527 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 118.1 | 173.9 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | Y71 R75 F81 T82 V83 | Y71-V73 PolarHBondContact O-N 3.16Å; V73-R75 WeakPolarHBondContact CG1-O 3.37Å; V73-F81 HydrophobicContact CG1-CB 4.2Å; V73-T82 CarbonylContact C-O 3.53Å; V73-V83 HydrophobicContact CB-CG1 4.33Å; V73-V83 HydrophobicContact CG2-CG1 3.77Å |
| 74 | L | 83.5 | Confident | 71.6 | Confident | 99 Ų | 99 | 107.3 Ų | 107.3 | 52% | 0.518 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -42.2 | 176.2 | -61.8 | 177.7 | 0 | 0 | 0 | 111.5 | R72 T82 D84 P89 | R72-L74 PolarHBondContact O-N 3Å; L74-T82 PolarHBondContact N-O 3.35Å; L74-D84 HydrophobicContact CD1-CB 4.06Å; L74-D84 HydrophobicContact CD2-CB 4.2Å; L74-D84 HydrophobicContact CG-CB 4.13Å; L74-P89 HydrophobicContact CD1-CB 4.28Å |
| 75 | R | 80.2 | Confident | 73.2 | Confident | 190 Ų | 190 | 103.7 Ų | 103.7 | 72% | 0.717 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 151.6 | -178.4 | -61.5 | -178.8 | 73.2 | -172.5 | 2.2 | 110.3 | V73 F81 T82 | V73-R75 WeakPolarHBondContact CG1-O 3.37Å; R75-F81 CarbonylContact O-C 3.59Å; R75-F81 WeakPolarHBondContact O-CA 3.43Å; R75-T82 PolarHBondContact N-O 2.81Å; R75-T82 PolarHBondContact O-N 3.21Å |
| 76 | R | 82.5 | Confident | 74.7 | Confident | 199 Ų | 199 | 103.6 Ų | 103.6 | 75% | 0.751 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 136.3 | 175.5 | -176.2 | 178.2 | 171.8 | -175.5 | -2.8 | 109.7 | | |
| 77 | T | 79.5 | Confident | 75.9 | Confident | 79 Ų | 79 | 101.8 Ų | 101.8 | 49% | 0.485 | 52% | 0.515 | S | S | . | . | | | trans | -120.7 | 171.3 | 171.3 | -49.2 | 0 | 0 | 0 | 0 | 107.9 | K79 T80 I94 | T77-K79 PolarHBondContact O-N 3.38Å; T77-K79 VanDerWaalsContact O-N 3.16Å; T77-T80 PolarHBondContact N-O 3.05Å; T77-I94 WeakPolarHBondContact O-CD1 3.21Å |
| 78 | D | 77.6 | Confident | 76.9 | Confident | 154 Ų | 154 | 95.9 Ų | 95.9 | 82% | 0.824 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -61 | -25.7 | -179.5 | -54.4 | -46.9 | 0 | 0 | 0 | 113.8 | I94 | D78-I94 WeakPolarHBondContact O-CD1 2.99Š|
| 79 | K | 80.9 | Confident | 77.8 | Confident | 154 Ų | 154 | 91.6 Ų | 91.6 | 67% | 0.67 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -115 | -13.4 | -175.8 | -60.7 | 179.5 | -175.8 | 174.4 | 0 | 113.9 | T77 A93 I94 | T77-K79 PolarHBondContact O-N 3.38Å; T77-K79 VanDerWaalsContact O-N 3.16Å; K79-A93 CarbonylContact O-C 3.54Å; K79-A93 WeakPolarHBondContact O-CA 3.38Å; K79-I94 PolarHBondContact O-N 3.22Å |
| 80 | T | 82 | Confident | 78.7 | Confident | 41 Ų | 41 | 91.1 Ų | 91.1 | 25% | 0.252 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 158.8 | -171.8 | 61.5 | 0 | 0 | 0 | 0 | 112.5 | T77 T91 V92 A93 | T77-T80 PolarHBondContact N-O 3.05Å; T80-T91 HydrophobicContact CG2-CG2 4.24Å; T80-V92 CarbonylContact C-O 3.53Å; T80-V92 WeakPolarHBondContact CA-O 3.18Å; T80-V92 WeakPolarHBondContact CB-O 3.13Å; T80-A93 HydrophobicContact CG2-CB 4.38Å |
| 81 | F | 80.9 | Confident | 79.4 | Confident | 25 Ų | 25 | 91 Ų | 91 | 11% | 0.11 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 140.5 | 166.3 | 56.4 | -84.5 | 0 | 0 | 0 | 109 | V73 R75 V83 T91 V92 I94 T99 | V73-F81 HydrophobicContact CG1-CB 4.2Å; R75-F81 CarbonylContact O-C 3.59Å; R75-F81 WeakPolarHBondContact O-CA 3.43Å; F81-V83 HydrophobicContact CD2-CG1 3.6Å; F81-V83 HydrophobicContact CD2-CG2 4.49Å; F81-V83 HydrophobicContact CE2-CG1 3.95Å; F81-V83 HydrophobicContact CE2-CG2 4.4Å; F81-T91 CarbonylContact O-C 3.51Å; F81-T91 WeakPolarHBondContact O-CA 3.19Å; F81-V92 HydrophobicContact CD1-CB 4.45Å; F81-V92 WeakPolarHBondContact CD1-O 2.95Å; F81-V92 HydrophobicContact CD2-CB 4.11Å; F81-V92 HydrophobicContact CE1-CB 3.83Å; F81-V92 HydrophobicContact CE1-CG1 3.79Å; F81-V92 HydrophobicContact CE2-CB 3.5Å; F81-V92 HydrophobicContact CE2-CG1 3.99Å; F81-V92 HydrophobicContact CE2-CG2 3.93Å; F81-V92 HydrophobicContact CZ-CB 3.33Å; F81-V92 HydrophobicContact CZ-CG1 3.32Å; F81-V92 HydrophobicContact CZ-CG2 4.14Å; F81-V92 PolarHBondContact N-O 3.4Å; F81-V92 PolarHBondContact O-N 3.16Å; F81-I94 HydrophobicContact CD1-CG1 3.91Å; F81-T99 HydrophobicContact CD1-CG2 4.12Å; F81-T99 HydrophobicContact CE1-CG2 3.29Å; F81-T99 WeakPolarHBondContact CE1-OG1 3.41Å; F81-T99 HydrophobicContact CE2-CG2 3.97Å; F81-T99 HydrophobicContact CZ-CG2 3.17Å; F81-T99 WeakPolarHBondContact CZ-OG1 3.27Å |
| 82 | T | 82.8 | Confident | 79.8 | Confident | 24 Ų | 24 | 88.7 Ų | 88.7 | 15% | 0.147 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 126.1 | 170.8 | -52.4 | 0 | 0 | 0 | 0 | 107.8 | V73 L74 R75 P89 L90 T91 | V73-T82 CarbonylContact C-O 3.53Å; L74-T82 PolarHBondContact N-O 3.35Å; R75-T82 PolarHBondContact N-O 2.81Å; R75-T82 PolarHBondContact O-N 3.21Å; T82-P89 HydrophobicContact CG2-CB 3.98Å; T82-L90 CarbonylContact C-O 3.46Å; T82-L90 VanDerWaalsContact CA-O 3.31Å; T82-L90 WeakPolarHBondContact CA-O 3.46Å; T82-T91 PolarHBondContact OG1-OG1 2.72Å; T82-T91 VanDerWaalsContact OG1-OG1 3.05Å |
| 83 | V | 83.5 | Confident | 80 | Confident | 5 Ų | 5 | 80.8 Ų | 80.8 | 3% | 0.03 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 150.6 | 178.7 | -78 | 0 | 0 | 0 | 0 | 111.2 | Y71 R72 V73 F81 A85 L90 V92 | Y71-V83 HydrophobicContact CD2-CG2 4.4Å; Y71-V83 HydrophobicContact CG-CB 4.36Å; Y71-V83 HydrophobicContact CG-CG2 4.3Å; R72-V83 CarbonylContact O-C 3.56Å; R72-V83 VanDerWaalsContact O-CA 3.23Å; R72-V83 WeakPolarHBondContact O-CA 3.37Å; V73-V83 HydrophobicContact CB-CG1 4.33Å; V73-V83 HydrophobicContact CG2-CG1 3.77Å; F81-V83 HydrophobicContact CD2-CG1 3.6Å; F81-V83 HydrophobicContact CD2-CG2 4.49Å; F81-V83 HydrophobicContact CE2-CG1 3.95Å; F81-V83 HydrophobicContact CE2-CG2 4.4Å; V83-A85 PolarHBondContact O-N 3.11Å; V83-L90 HydrophobicContact CG2-CB 4.16Å; V83-L90 WeakPolarHBondContact CG2-O 3.44Å; V83-L90 PolarHBondContact N-O 2.92Å; V83-L90 PolarHBondContact O-N 2.79Å; V83-V92 HydrophobicContact CG2-CG2 4.41Å |
| 84 | D | 82.7 | Confident | 79.7 | Confident | 61 Ų | 61 | 79.5 Ų | 79.5 | 33% | 0.326 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 105.6 | 169 | 179.1 | 19.6 | 0 | 0 | 0 | 109.7 | Y71 R72 L74 G86 G87 | Y71-D84 WeakPolarHBondContact CD1-O 3.09Å; R72-D84 PolarHBondContact O-N 3.11Å; L74-D84 HydrophobicContact CD1-CB 4.06Å; L74-D84 HydrophobicContact CD2-CB 4.2Å; L74-D84 HydrophobicContact CG-CB 4.13Å; D84-G86 PolarHBondContact O-N 3.33Å; D84-G87 VanDerWaalsContact OD1-CA 3.27Å; D84-G87 WeakPolarHBondContact OD1-CA 3.07Å; D84-G87 PolarHBondContact OD1-N 3.4Å |
| 85 | A | 78.2 | Confident | 79 | Confident | 27 Ų | 27 | 81.4 Ų | 81.4 | 22% | 0.223 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -99 | 68.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y71 V83 S88 L90 | Y71-A85 HydrophobicContact CD1-CB 4.14Å; Y71-A85 HydrophobicContact CE1-CB 3.7Å; V83-A85 PolarHBondContact O-N 3.11Å; A85-S88 PolarHBondContact N-O 3.13Å; A85-L90 HydrophobicContact CB-CB 3.91Å; A85-L90 HydrophobicContact CB-CD2 4.22Å |
| 86 | G | 72.2 | Confident | 77.8 | Confident | 79 Ų | 79 | 80.9 Ų | 80.9 | 81% | 0.814 | 46% | 0.458 | S | S | * | . | S | Bend | trans | 72.4 | 42.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D84 | D84-G86 PolarHBondContact O-N 3.33Š|
| 87 | G | 75.7 | Confident | 76.3 | Confident | 64 Ų | 64 | 79.8 Ų | 79.8 | 66% | 0.66 | 47% | 0.466 | S | S | * | . | S | Bend | trans | 94.3 | -5.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | D84 | D84-G87 VanDerWaalsContact OD1-CA 3.27Å; D84-G87 WeakPolarHBondContact OD1-CA 3.07Å; D84-G87 PolarHBondContact OD1-N 3.4Å |
| 88 | S | 75.5 | Confident | 75.1 | Confident | 76 Ų | 76 | 82.8 Ų | 82.8 | 53% | 0.531 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -111.9 | 124.4 | 176.5 | -66.8 | 0 | 0 | 0 | 0 | 111 | A85 L90 | A85-S88 PolarHBondContact N-O 3.13Å; S88-L90 PolarHBondContact O-N 3.43Å |
| 89 | P | 82.5 | Confident | 74.1 | Confident | 99 Ų | 99 | 78.4 Ų | 78.4 | 64% | 0.643 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 115.6 | 175.1 | 27.6 | -32.6 | 0 | 0 | 0 | 110.4 | L74 T82 | L74-P89 HydrophobicContact CD1-CB 4.28Å; T82-P89 HydrophobicContact CG2-CB 3.98Å |
| 90 | L | 80.6 | Confident | 73.3 | Confident | 83 Ų | 83 | 77.5 Ų | 77.5 | 44% | 0.435 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 122.6 | 178.1 | 178.2 | 67.5 | 0 | 0 | 0 | 110.2 | T82 V83 A85 S88 V92 | T82-L90 CarbonylContact C-O 3.46Å; T82-L90 VanDerWaalsContact CA-O 3.31Å; T82-L90 WeakPolarHBondContact CA-O 3.46Å; V83-L90 HydrophobicContact CG2-CB 4.16Å; V83-L90 WeakPolarHBondContact CG2-O 3.44Å; V83-L90 PolarHBondContact N-O 2.92Å; V83-L90 PolarHBondContact O-N 2.79Å; A85-L90 HydrophobicContact CB-CB 3.91Å; A85-L90 HydrophobicContact CB-CD2 4.22Å; S88-L90 PolarHBondContact O-N 3.43Å; L90-V92 HydrophobicContact CD2-CG2 4.04Å; L90-V92 HydrophobicContact CG-CG2 3.95Å |
| 91 | T | 83.5 | Confident | 72.4 | Confident | 85 Ų | 85 | 80.5 Ų | 80.5 | 52% | 0.521 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 125.4 | 175.8 | -60.5 | 0 | 0 | 0 | 0 | 110.8 | T80 F81 T82 | T80-T91 HydrophobicContact CG2-CG2 4.24Å; F81-T91 CarbonylContact O-C 3.51Å; F81-T91 WeakPolarHBondContact O-CA 3.19Å; T82-T91 PolarHBondContact OG1-OG1 2.72Å; T82-T91 VanDerWaalsContact OG1-OG1 3.05Å |
| 92 | V | 78.8 | Confident | 71.3 | Confident | 33 Ų | 33 | 82.6 Ų | 82.6 | 20% | 0.2 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 138.3 | -176.6 | -176 | 0 | 0 | 0 | 0 | 109.2 | T80 F81 V83 L90 | T80-V92 CarbonylContact C-O 3.53Å; T80-V92 WeakPolarHBondContact CA-O 3.18Å; T80-V92 WeakPolarHBondContact CB-O 3.13Å; F81-V92 HydrophobicContact CD1-CB 4.45Å; F81-V92 WeakPolarHBondContact CD1-O 2.95Å; F81-V92 HydrophobicContact CD2-CB 4.11Å; F81-V92 HydrophobicContact CE1-CB 3.83Å; F81-V92 HydrophobicContact CE1-CG1 3.79Å; F81-V92 HydrophobicContact CE2-CB 3.5Å; F81-V92 HydrophobicContact CE2-CG1 3.99Å; F81-V92 HydrophobicContact CE2-CG2 3.93Å; F81-V92 HydrophobicContact CZ-CB 3.33Å; F81-V92 HydrophobicContact CZ-CG1 3.32Å; F81-V92 HydrophobicContact CZ-CG2 4.14Å; F81-V92 PolarHBondContact N-O 3.4Å; F81-V92 PolarHBondContact O-N 3.16Å; V83-V92 HydrophobicContact CG2-CG2 4.41Å; L90-V92 HydrophobicContact CD2-CG2 4.04Å; L90-V92 HydrophobicContact CG-CG2 3.95Å |
| 93 | A | 76.9 | Confident | 70.1 | Confident | 32 Ų | 32 | 89.9 Ų | 89.9 | 26% | 0.264 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 137.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K79 T80 N95 R96 | K79-A93 CarbonylContact O-C 3.54Å; K79-A93 WeakPolarHBondContact O-CA 3.38Å; T80-A93 HydrophobicContact CG2-CB 4.38Å; A93-N95 PolarHBondContact O-N 2.73Å; A93-R96 HydrophobicContact CB-CG 4.2Å; A93-R96 WeakPolarHBondContact O-CB 3.38Å; A93-R96 PolarHBondContact O-N 3.08Å; A93-R96 VanDerWaalsContact O-N 3.13Å |
| 94 | I | 74.8 | Confident | 68.8 | Low | 60 Ų | 60 | 96.4 Ų | 96.4 | 31% | 0.308 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -36.3 | 176 | -66.9 | 170.1 | 0 | 0 | 0 | 110.3 | T77 D78 K79 F81 R96 | T77-I94 WeakPolarHBondContact O-CD1 3.21Å; D78-I94 WeakPolarHBondContact O-CD1 2.99Å; K79-I94 PolarHBondContact O-N 3.22Å; F81-I94 HydrophobicContact CD1-CG1 3.91Å; I94-R96 PolarHBondContact O-N 2.78Å; I94-R96 VanDerWaalsContact O-N 3.11Å |
| 95 | N | 67.1 | Low | 67.6 | Low | 140 Ų | 140 | 101 Ų | 101 | 75% | 0.749 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -3.9 | 178.2 | -71.4 | -3.6 | 0 | 0 | 0 | 113.9 | A93 L97 | A93-N95 PolarHBondContact O-N 2.73Å; N95-L97 PolarHBondContact O-N 2.8Å |
| 96 | R | 56.7 | Low | 66.3 | Low | 179 Ų | 179 | 105.8 Ų | 105.8 | 68% | 0.675 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -81.1 | 109.2 | 168.7 | -69.4 | -175.9 | 178.3 | -160.7 | -0.2 | 108.1 | A93 I94 R98 T99 | A93-R96 HydrophobicContact CB-CG 4.2Å; A93-R96 WeakPolarHBondContact O-CB 3.38Å; A93-R96 PolarHBondContact O-N 3.08Å; A93-R96 VanDerWaalsContact O-N 3.13Å; I94-R96 PolarHBondContact O-N 2.78Å; I94-R96 VanDerWaalsContact O-N 3.11Å; R96-R98 PolarHBondContact O-N 2.79Å; R96-T99 PolarHBondContact O-N 3.48Å; R96-T99 PolarHBondContact O-OG1 2.99Å |
| 97 | L | 49.6 | Very low | 65 | Low | 175 Ų | 175 | 109.2 Ų | 109.2 | 92% | 0.916 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.2 | -4.8 | 176.9 | -101.5 | 106.7 | 0 | 0 | 0 | 116.7 | N95 | N95-L97 PolarHBondContact O-N 2.8Š|
| 98 | R | 54.1 | Low | 63.6 | Low | 142 Ų | 142 | 109.6 Ų | 109.6 | 54% | 0.536 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.7 | -5 | -179.5 | -71.3 | -168.5 | 174.3 | -176.4 | -3.5 | 114.8 | E63 C65 R96 K100 | E63-R98 VanDerWaalsContact O-CZ 3.24Å; E63-R98 PolarHBondContact O-NH1 2.97Å; E63-R98 PolarHBondContact O-NH2 2.68Å; C65-R98 PolarHBondContact SG-NH1 2.93Å; R96-R98 PolarHBondContact O-N 2.79Å; R98-K100 PolarHBondContact O-N 3.29Å |
| 99 | T | 58.2 | Low | 62.3 | Low | 62 Ų | 62 | 112.8 Ų | 112.8 | 38% | 0.38 | 60% | 0.598 | S | S | . | * | | | trans | -84.5 | 79.1 | 177.2 | -41.1 | 0 | 0 | 0 | 0 | 110.6 | F81 R96 | F81-T99 HydrophobicContact CD1-CG2 4.12Å; F81-T99 HydrophobicContact CE1-CG2 3.29Å; F81-T99 WeakPolarHBondContact CE1-OG1 3.41Å; F81-T99 HydrophobicContact CE2-CG2 3.97Å; F81-T99 HydrophobicContact CZ-CG2 3.17Å; F81-T99 WeakPolarHBondContact CZ-OG1 3.27Å; R96-T99 PolarHBondContact O-N 3.48Å; R96-T99 PolarHBondContact O-OG1 2.99Å |
| 100 | K | 63.6 | Low | 60.6 | Low | 136 Ų | 136 | 114.5 Ų | 114.5 | 59% | 0.591 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 127 | 169.4 | -74.2 | 178.7 | 174.1 | 179.4 | 0 | 108.8 | R67 R98 A102 | R67-K100 VanDerWaalsContact NH2-CD 3.34Å; R98-K100 PolarHBondContact O-N 3.29Å; K100-A102 PolarHBondContact O-N 2.9Å |
| 101 | P | 62.7 | Low | 59.4 | Low | 104 Ų | 104 | 116.8 Ų | 116.8 | 68% | 0.675 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 132.4 | 174.3 | 25 | -32.3 | 0 | 0 | 0 | 109.3 | | |
| 102 | A | 56.8 | Low | 57.7 | Low | 68 Ų | 68 | 118.4 Ų | 118.4 | 56% | 0.562 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 124.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | P70 K100 | P70-A102 HydrophobicContact CB-CB 4Å; K100-A102 PolarHBondContact O-N 2.9Å |
| 103 | F | 57.8 | Low | 56.7 | Low | 178 Ų | 178 | 124.3 Ų | 124.3 | 78% | 0.781 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 125.5 | 169.1 | -62.2 | -84.2 | 0 | 0 | 0 | 107.7 | L105 | F103-L105 PolarHBondContact O-N 3.36Å; F103-L105 VanDerWaalsContact O-N 3.16Å |
| 104 | L | 57.1 | Low | 55.6 | Low | 142 Ų | 142 | 126.7 Ų | 126.7 | 74% | 0.743 | 67% | 0.674 | S | S | * | * | | | trans | -73.1 | 103.9 | 167 | -66 | 170.3 | 0 | 0 | 0 | 106.6 | N106 | L104-N106 VanDerWaalsContact C-N 3.27Å; L104-N106 PolarHBondContact O-N 2.8Å |
| 105 | L | 57.7 | Low | 54.5 | Low | 158 Ų | 158 | 130.5 Ų | 130.5 | 83% | 0.827 | 70% | 0.702 | S | S | * | * | | | trans | -68.9 | 95.4 | 163.4 | -117.9 | 79.4 | 0 | 0 | 0 | 105.9 | F103 D107 | F103-L105 PolarHBondContact O-N 3.36Å; F103-L105 VanDerWaalsContact O-N 3.16Å; L105-D107 PolarHBondContact O-N 3.2Å; L105-D107 VanDerWaalsContact O-N 3.11Å |
| 106 | N | 50.7 | Low | 53.9 | Low | 126 Ų | 126 | 127.4 Ų | 127.4 | 67% | 0.674 | 70% | 0.703 | S | S | * | * | | | trans | -80.7 | 90.6 | -178.3 | -144.1 | 30.6 | 0 | 0 | 0 | 108 | L104 A108 | L104-N106 VanDerWaalsContact C-N 3.27Å; L104-N106 PolarHBondContact O-N 2.8Å; N106-A108 VanDerWaalsContact C-N 3.31Å; N106-A108 PolarHBondContact O-N 2.81Å |
| 107 | D | 45.4 | Very low | 53.7 | Low | 152 Ų | 152 | 129.1 Ų | 129.1 | 81% | 0.813 | 71% | 0.71 | S | S | * | * | | | trans | -67.3 | 98.7 | 156.4 | -85.4 | -68.4 | 0 | 0 | 0 | 107.4 | L105 | L105-D107 PolarHBondContact O-N 3.2Å; L105-D107 VanDerWaalsContact O-N 3.11Å |
| 108 | A | 44.5 | Very low | 54 | Low | 72 Ų | 72 | 129.3 Ų | 129.3 | 60% | 0.595 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 77.8 | 137.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | N106 | N106-A108 VanDerWaalsContact C-N 3.31Å; N106-A108 PolarHBondContact O-N 2.81Å |
| 109 | Q | 49.5 | Very low | 54.1 | Low | 142 Ų | 142 | 127.7 Ų | 127.7 | 66% | 0.664 | 71% | 0.712 | S | S | * | * | | | trans | 95.3 | 89.3 | 156.8 | -47.4 | -70.9 | 6.8 | 0 | 0 | 118.1 | | |
| 110 | N | 47.2 | Very low | 54.3 | Low | 136 Ų | 136 | 130.2 Ų | 130.2 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | | | | 67 | 72.9 | 117.8 | -79.8 | -66.8 | 0 | 0 | 0 | 119.9 | | |
| 111 | T | 54.5 | Low | 53.9 | Low | 131 Ų | 131 | 132.1 Ų | 132.1 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | | | trans | -142.2 | 107.2 | 141.4 | -24.8 | 0 | 0 | 0 | 0 | 109.2 | L113 | T111-L113 PolarHBondContact O-N 3.05Å; T111-L113 VanDerWaalsContact O-N 3.1Å |
| 112 | P | 47.9 | Very low | 54.1 | Low | 118 Ų | 118 | 135.8 Ų | 135.8 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | | | trans | -64.4 | 115.5 | 175.4 | 24.5 | -30 | 0 | 0 | 0 | 108.9 | | |
| 113 | L | 57.7 | Low | 54.3 | Low | 157 Ų | 157 | 142.8 Ų | 142.8 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | | | trans | -60.1 | 137.6 | 165.6 | -71.5 | 166.3 | 0 | 0 | 0 | 108.1 | T111 | T111-L113 PolarHBondContact O-N 3.05Å; T111-L113 VanDerWaalsContact O-N 3.1Å |
| 114 | P | 53.1 | Low | 54.3 | Low | 83 Ų | 83 | 139.4 Ų | 139.4 | 54% | 0.539 | 75% | 0.752 | S | S | . | * | | | trans | -58.5 | 125.7 | 178.4 | 22.6 | -31.6 | 0 | 0 | 0 | 109.5 | G116 | P114-G116 PolarHBondContact O-N 2.8Š|
| 115 | P | 53 | Low | 54.2 | Low | 139 Ų | 139 | 140.4 Ų | 140.4 | 90% | 0.903 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 99.5 | 178.4 | 27.6 | -32.2 | 0 | 0 | 0 | 107.9 | | |
| 116 | G | 54.8 | Low | 54.1 | Low | 75 Ų | 75 | 139.6 Ų | 139.6 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 152.6 | -13.5 | -179 | 0 | 0 | 0 | 0 | 0 | 116 | P114 Q118 | P114-G116 PolarHBondContact O-N 2.8Å; G116-Q118 PolarHBondContact O-N 3.13Å |
| 117 | R | 52 | Low | 54.2 | Low | 216 Ų | 216 | 138.8 Ų | 138.8 | 82% | 0.815 | 76% | 0.762 | S | S | * | * | | | trans | -90.3 | 83.1 | 171.9 | -91.2 | -179.3 | 160.2 | 177.4 | -5 | 110.9 | V119 | R117-V119 PolarHBondContact O-N 2.97Š|
| 118 | Q | 54.9 | Low | 54.4 | Low | 178 Ų | 178 | 139.4 Ų | 139.4 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | | | trans | -66.3 | 114 | 157.4 | -70.9 | -172.4 | 35.4 | 0 | 0 | 108 | G116 V120 | G116-Q118 PolarHBondContact O-N 3.13Å; Q118-V120 PolarHBondContact O-N 2.92Å |
| 119 | V | 57.2 | Low | 54.6 | Low | 109 Ų | 109 | 142.1 Ų | 142.1 | 66% | 0.661 | 77% | 0.773 | S | S | * | * | | | trans | -83.6 | 100.1 | 168 | -178.3 | 0 | 0 | 0 | 0 | 106.5 | R117 F121 | R117-V119 PolarHBondContact O-N 2.97Å; V119-F121 HydrophobicContact CG1-CD2 4.3Å; V119-F121 HydrophobicContact CG1-CE2 4.06Å; V119-F121 HydrophobicContact CG1-CZ 4.47Å; V119-F121 PolarHBondContact O-N 3Å |
| 120 | V | 61.2 | Low | 54.7 | Low | 115 Ų | 115 | 139.5 Ų | 139.5 | 70% | 0.697 | 78% | 0.776 | S | S | * | * | | | trans | -78.2 | 111.2 | 169.8 | -178.7 | 0 | 0 | 0 | 0 | 107.3 | Q118 Q122 | Q118-V120 PolarHBondContact O-N 2.92Å; V120-Q122 PolarHBondContact O-N 3.02Å |
| 121 | F | 55.9 | Low | 55.1 | Low | 175 Ų | 175 | 138.3 Ų | 138.3 | 77% | 0.768 | 78% | 0.779 | S | S | * | * | | | trans | -72.1 | 96.9 | 167.4 | -79.1 | -89.6 | 0 | 0 | 0 | 108.3 | V119 W123 | V119-F121 HydrophobicContact CG1-CD2 4.3Å; V119-F121 HydrophobicContact CG1-CE2 4.06Å; V119-F121 HydrophobicContact CG1-CZ 4.47Å; V119-F121 PolarHBondContact O-N 3Å; F121-W123 PolarHBondContact O-N 2.97Å |
| 122 | Q | 67.7 | Low | 55.1 | Low | 182 Ų | 182 | 144.1 Ų | 144.1 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | | | trans | -82 | 99.3 | 169.5 | -149.6 | 173.9 | 47.6 | 0 | 0 | 107.3 | V120 | V120-Q122 PolarHBondContact O-N 3.02Š|
| 123 | W | 59.7 | Low | 55.3 | Low | 215 Ų | 215 | 147.4 Ų | 147.4 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 134.8 | 165.5 | -74.9 | 97.9 | 0 | 0 | 0 | 107.9 | F121 L125 | F121-W123 PolarHBondContact O-N 2.97Å; W123-L125 PolarHBondContact O-N 3.37Å |
| 124 | P | 58.7 | Low | 54.8 | Low | 107 Ų | 107 | 143.6 Ų | 143.6 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 130.3 | 168.3 | 23.4 | -30.9 | 0 | 0 | 0 | 107.1 | V126 | P124-V126 PolarHBondContact O-N 2.79Š|
| 125 | L | 54.4 | Low | 55.2 | Low | 163 Ų | 163 | 146.3 Ų | 146.3 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -50 | 119.6 | 166.4 | -75.5 | 163.5 | 0 | 0 | 0 | 105.7 | W123 S127 | W123-L125 PolarHBondContact O-N 3.37Å; L125-S127 PolarHBondContact O-N 3Å |
| 126 | V | 56.8 | Low | 55.3 | Low | 140 Ų | 140 | 152 Ų | 152 | 85% | 0.848 | 82% | 0.822 | S | S | * | * | | | trans | -54.7 | 96.3 | 167.1 | -96.2 | 0 | 0 | 0 | 0 | 105.9 | P124 L128 | P124-V126 PolarHBondContact O-N 2.79Å; V126-L128 VanDerWaalsContact C-N 3.29Å; V126-L128 PolarHBondContact O-N 3.37Å |
| 127 | S | 51.4 | Low | 55.4 | Low | 109 Ų | 109 | 155.9 Ų | 155.9 | 76% | 0.762 | 82% | 0.824 | S | S | * | * | | | trans | -59.4 | 106.4 | 162.9 | 6.2 | 0 | 0 | 0 | 0 | 103.9 | L125 V129 | L125-S127 PolarHBondContact O-N 3Å; S127-V129 PolarHBondContact O-N 3.43Å |
| 128 | L | 50.9 | Low | 55.5 | Low | 165 Ų | 165 | 152.7 Ų | 152.7 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | | | trans | -36.1 | 115.3 | 165.9 | -80 | 154.5 | 0 | 0 | 0 | 106.9 | V126 A130 | V126-L128 VanDerWaalsContact C-N 3.29Å; V126-L128 PolarHBondContact O-N 3.37Å; L128-A130 VanDerWaalsContact C-N 3.26Å; L128-A130 PolarHBondContact O-N 2.82Å |
| 129 | V | 48.9 | Very low | 55.6 | Low | 129 Ų | 129 | 151.3 Ų | 151.3 | 78% | 0.782 | 82% | 0.824 | S | S | * | * | | | trans | -49.8 | 104.5 | 162.8 | 163.3 | 0 | 0 | 0 | 0 | 104.5 | S127 S131 | S127-V129 PolarHBondContact O-N 3.43Å; V129-S131 VanDerWaalsContact C-N 3.31Å; V129-S131 PolarHBondContact O-N 3.07Å |
| 130 | A | 51 | Low | 55.5 | Low | 87 Ų | 87 | 153.8 Ų | 153.8 | 72% | 0.719 | 83% | 0.834 | S | S | * | * | | | trans | -63.1 | 103.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 104.9 | L128 R132 | L128-A130 VanDerWaalsContact C-N 3.26Å; L128-A130 PolarHBondContact O-N 2.82Å; A130-R132 VanDerWaalsContact C-N 3.34Å; A130-R132 PolarHBondContact O-N 3.39Å |
| 131 | S | 54.7 | Low | 55.1 | Low | 112 Ų | 112 | 156.3 Ų | 156.3 | 78% | 0.783 | 84% | 0.843 | S | S | * | * | | | trans | -49.7 | 102.7 | 170.5 | -62.6 | 0 | 0 | 0 | 0 | 107.8 | V129 E133 | V129-S131 VanDerWaalsContact C-N 3.31Å; V129-S131 PolarHBondContact O-N 3.07Å; S131-E133 PolarHBondContact O-N 3.11Å; S131-E133 VanDerWaalsContact O-N 3.09Å |
| 132 | R | 54.9 | Low | 55.1 | Low | 253 Ų | 253 | 155 Ų | 155 | 96% | 0.955 | 85% | 0.848 | S | S | * | * | | | trans | -86.9 | 71 | 177.8 | -160.8 | -179.4 | 174.2 | -157.9 | -3.7 | 106.7 | A130 | A130-R132 VanDerWaalsContact C-N 3.34Å; A130-R132 PolarHBondContact O-N 3.39Å |
| 133 | E | 51.5 | Low | 54.2 | Low | 187 Ų | 187 | 153.1 Ų | 153.1 | 87% | 0.874 | 85% | 0.847 | S | S | * | * | | | trans | -124.8 | 90.9 | 169.8 | -157.4 | 157.6 | 91.9 | 0 | 0 | 107.4 | S131 | S131-E133 PolarHBondContact O-N 3.11Å; S131-E133 VanDerWaalsContact O-N 3.09Å |
| 134 | G | 47.9 | Very low | 53.7 | Low | 76 Ų | 76 | 148.3 Ų | 148.3 | 78% | 0.784 | 85% | 0.85 | S | S | * | * | | | trans | -143.8 | 75.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 135 | V | 62.5 | Low | 53.3 | Low | 141 Ų | 141 | 151.8 Ų | 151.8 | 86% | 0.855 | 86% | 0.863 | S | S | * | * | | | trans | -98.8 | 114.6 | 163.2 | 168.1 | 0 | 0 | 0 | 0 | 105.1 | | |
| 136 | M | 55 | Low | 53.2 | Low | 259 Ų | 259 | 150.7 Ų | 150.7 | 100% | 1.276 | 86% | 0.864 | S | S | * | * | | | trans | -66.7 | 0 | 161.4 | -79.6 | -177.6 | 178.1 | 0 | 0 | 110.2 | | |