| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32 | Very low | 35.1 | Very low | 239 Ų | 239 | 157.8 Ų | 157.8 | 100% | 1.177 | 81% | 0.809 | S | S | * | * | 0 | 155.9 | 0 | -93.1 | 161.3 | 51.5 | 0 | 0 | 109.8 | |||||
| 2 | R | 32.4 | Very low | 34.8 | Very low | 232 Ų | 232 | 151.9 Ų | 151.9 | 88% | 0.875 | 80% | 0.801 | S | S | * | * | trans | 1.4 | 111.1 | 166 | -65.9 | -179.1 | 174.1 | -166.3 | -2.8 | 120 | ||||
| 3 | S | 35 | Very low | 34.8 | Very low | 107 Ų | 107 | 154.2 Ų | 154.2 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | 67.5 | 150.6 | 111.1 | -47.8 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 4 | R | 39.9 | Very low | 34.6 | Very low | 237 Ų | 237 | 154.3 Ų | 154.3 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | trans | 87.3 | 139.1 | 162.4 | -62.9 | -176.9 | 175 | -177.1 | -3 | 117 | ||||
| 5 | S | 38.2 | Very low | 34.2 | Very low | 94 Ų | 94 | 155.5 Ų | 155.5 | 66% | 0.657 | 80% | 0.798 | S | S | * | * | cis | -172.8 | 163.1 | -16.4 | -113.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 6 | N | 34.6 | Very low | 34 | Very low | 152 Ų | 152 | 155.1 Ų | 155.1 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | 74.3 | 145.9 | 154.7 | -66.6 | 13.3 | 0 | 0 | 0 | 118.7 | ||||
| 7 | S | 36.3 | Very low | 33.8 | Very low | 96 Ų | 96 | 150.8 Ų | 150.8 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | cis | -166.5 | 175.1 | -16.7 | -164.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 8 | L | 36.5 | Very low | 33.5 | Very low | 139 Ų | 139 | 151.3 Ų | 151.3 | 73% | 0.728 | 79% | 0.788 | S | S | * | * | trans | 75.6 | 144.9 | 167.2 | -52.5 | 175.2 | 0 | 0 | 0 | 116.8 | ||||
| 9 | E | 34.5 | Very low | 33.3 | Very low | 170 Ų | 170 | 150.3 Ų | 150.3 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | cis | -179.9 | 169.6 | -30.8 | -117.2 | 170.1 | -152.2 | 0 | 0 | 106.8 | ||||
| 10 | D | 35.1 | Very low | 33.1 | Very low | 140 Ų | 140 | 150.3 Ų | 150.3 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | -157.8 | -161 | -61.2 | -177.5 | 19.7 | 0 | 0 | 0 | 106.1 | |||||
| 11 | V | 31.4 | Very low | 32.9 | Very low | 130 Ų | 130 | 149.5 Ų | 149.5 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | trans | 81.7 | 122.7 | 170.7 | -172.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 12 | A | 32.2 | Very low | 32.8 | Very low | 87 Ų | 87 | 145.7 Ų | 145.7 | 72% | 0.719 | 75% | 0.753 | S | S | * | * | cis | -164.8 | 177.5 | -3.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 13 | K | 34.4 | Very low | 32.8 | Very low | 182 Ų | 182 | 141.2 Ų | 141.2 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | cis | 175.2 | 155.2 | -34.7 | -161.2 | 166.2 | -167.2 | 165.1 | 0 | 106.5 | ||||
| 14 | L | 31.5 | Very low | 32.7 | Very low | 155 Ų | 155 | 141.7 Ų | 141.7 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | trans | 77.3 | 148.8 | 178.7 | -49.6 | 165.7 | 0 | 0 | 0 | 114.7 | ||||
| 15 | K | 29.6 | Very low | 32.2 | Very low | 173 Ų | 173 | 140.1 Ų | 140.1 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | cis | -154.8 | 137.5 | 7.9 | -141.8 | 173.8 | -176 | -179.1 | 0 | 114 | ||||
| 16 | L | 30.2 | Very low | 32.1 | Very low | 148 Ų | 148 | 143 Ų | 143 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | trans | 45.8 | 131.7 | 147.5 | -85.3 | 164.7 | 0 | 0 | 0 | 124.3 | ||||
| 17 | A | 30.1 | Very low | 32 | Very low | 83 Ų | 83 | 142.3 Ų | 142.3 | 69% | 0.686 | 73% | 0.732 | S | S | * | * | trans | 71.8 | 156.9 | 134.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 18 | Q | 29.6 | Very low | 31.8 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | cis | -172.6 | 152.5 | -25.2 | 179 | 172.7 | -16.9 | 0 | 0 | 110.4 | ||||
| 19 | Q | 29.1 | Very low | 31.8 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 62% | 0.617 | 73% | 0.732 | S | S | * | * | trans | 69.9 | 124.5 | 161.3 | -126 | 88.7 | -4.5 | 0 | 0 | 123.3 | ||||
| 20 | Q | 29.6 | Very low | 31.6 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | trans | 51.7 | 121.3 | 130.2 | -78.2 | 170.2 | -27 | 0 | 0 | 125.7 | ||||
| 21 | N | 29.3 | Very low | 31.5 | Very low | 134 Ų | 134 | 145.4 Ų | 145.4 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | 71.5 | 135.5 | 123.1 | -80.8 | 7.5 | 0 | 0 | 0 | 125.5 | |||||
| 22 | M | 29.1 | Very low | 31.4 | Very low | 158 Ų | 158 | 146 Ų | 146 | 78% | 0.778 | 74% | 0.743 | S | S | * | * | trans | 74.2 | 84.9 | 139.9 | -63.7 | -63.2 | -178.4 | 0 | 0 | 122.2 | ||||
| 23 | D | 31.6 | Very low | 31.2 | Very low | 138 Ų | 138 | 150.2 Ų | 150.2 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | 63.8 | 140.6 | 105.7 | -144.5 | -0.4 | 0 | 0 | 0 | 123.9 | |||||
| 24 | T | 32.9 | Very low | 31.1 | Very low | 118 Ų | 118 | 150 Ų | 150 | 72% | 0.724 | 75% | 0.749 | S | S | * | * | trans | 69.4 | 152.9 | 170.4 | 81.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 25 | R | 31.3 | Very low | 32.2 | Very low | 203 Ų | 203 | 148.8 Ų | 148.8 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | cis | -169.1 | 140.1 | 18.4 | -152.5 | -178.6 | -178.6 | -168.2 | 4 | 113.5 | ||||
| 26 | K | 35.2 | Very low | 32.1 | Very low | 155 Ų | 155 | 144 Ų | 144 | 67% | 0.674 | 75% | 0.749 | S | S | * | * | trans | 64.4 | 165 | 153.5 | -79.2 | 172.1 | 154.4 | -141.6 | 0 | 118.5 | ||||
| 27 | Q | 31.9 | Very low | 32.1 | Very low | 137 Ų | 137 | 146.6 Ų | 146.6 | 64% | 0.64 | 75% | 0.749 | S | S | * | * | cis | -155.5 | 166 | -2.3 | -132.1 | 173.5 | -94.1 | 0 | 0 | 114.3 | ||||
| 28 | S | 32.8 | Very low | 32.1 | Very low | 94 Ų | 94 | 146.9 Ų | 146.9 | 66% | 0.657 | 75% | 0.751 | S | S | * | * | trans | 3.1 | 157.9 | 147.8 | 53.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 29 | A | 36.2 | Very low | 32.2 | Very low | 91 Ų | 91 | 144.9 Ų | 144.9 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | cis | -160.2 | -161.4 | -9.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 30 | E | 29.5 | Very low | 32.4 | Very low | 197 Ų | 197 | 144.8 Ų | 144.8 | 92% | 0.921 | 74% | 0.741 | S | S | * | * | -161.7 | -162.5 | 50.3 | -76.9 | -172.7 | 125.2 | 0 | 0 | 113 | |||||
| 31 | R | 33.3 | Very low | 32.6 | Very low | 228 Ų | 228 | 147 Ų | 147 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | trans | -119.8 | 171.4 | -174.5 | -71.7 | -178.8 | 169.8 | -162.3 | -1.1 | 112.6 | ||||
| 32 | D | 30.1 | Very low | 32.8 | Very low | 144 Ų | 144 | 145.5 Ų | 145.5 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | 164.6 | 158 | 122.2 | -81.1 | -9.9 | 0 | 0 | 0 | 110.7 | |||||
| 33 | E | 28.5 | Very low | 33 | Very low | 175 Ų | 175 | 149 Ų | 149 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | cis | -147.4 | -171.8 | -13.9 | -128.8 | -163 | 151.3 | 0 | 0 | 111 | ||||
| 34 | H | 32 | Very low | 33 | Very low | 177 Ų | 177 | 152.6 Ų | 152.6 | 82% | 0.819 | 75% | 0.751 | S | S | * | * | trans | -114.6 | -159.4 | 177.2 | -81.3 | -30.5 | 0 | 0 | 0 | 109.7 | ||||
| 35 | P | 54 | Low | 32.8 | Very low | 130 Ų | 130 | 158.5 Ų | 158.5 | 84% | 0.844 | 76% | 0.76 | S | S | * | * | cis | -136.5 | -173.9 | -6.4 | 43.1 | -24.5 | 0 | 0 | 0 | 116.1 | ||||
| 36 | G | 28.4 | Very low | 32.7 | Very low | 71 Ų | 71 | 156.5 Ų | 156.5 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | trans | 161.7 | 48.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 37 | R | 29.8 | Very low | 33.6 | Very low | 204 Ų | 204 | 154.4 Ų | 154.4 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | 52.6 | 96.3 | 105.5 | -160.4 | 178.9 | -171.3 | -173.3 | 0.6 | 113.2 | E39 | R37-E39 IonicContact CZ-OE1 3.19Å; R37-E39 IonicContact NE-OE1 3.13Å; R37-E39 PolarHBondContact NE-OE1 2.95Å; R37-E39 VanDerWaalsContact NE-OE1 3.16Å; R37-E39 IonicContact NH2-OE1 2.68Å; R37-E39 PolarHBondContact NH2-OE1 3.16Å | |||
| 38 | A | 30.9 | Very low | 35 | Very low | 89 Ų | 89 | 153.7 Ų | 153.7 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | 69.8 | 164.9 | 66 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 39 | E | 31.4 | Very low | 34.8 | Very low | 117 Ų | 117 | 153.4 Ų | 153.4 | 55% | 0.547 | 77% | 0.772 | S | S | . | * | cis | -129.1 | -165.8 | 12.8 | -56.9 | 170.7 | -135.2 | 0 | 0 | 108.8 | R37 | R37-E39 IonicContact CZ-OE1 3.19Å; R37-E39 IonicContact NE-OE1 3.13Å; R37-E39 PolarHBondContact NE-OE1 2.95Å; R37-E39 VanDerWaalsContact NE-OE1 3.16Å; R37-E39 IonicContact NH2-OE1 2.68Å; R37-E39 PolarHBondContact NH2-OE1 3.16Å | ||
| 40 | H | 33 | Very low | 34.5 | Very low | 131 Ų | 131 | 156.6 Ų | 156.6 | 61% | 0.606 | 78% | 0.777 | S | S | * | * | cis | -162 | -177 | 13.6 | -146.5 | 57.4 | 0 | 0 | 0 | 104.2 | ||||
| 41 | R | 32.3 | Very low | 34.6 | Very low | 195 Ų | 195 | 153.6 Ų | 153.6 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | cis | -162.6 | 111.2 | 5 | -177.4 | 174.1 | -108.6 | -172.2 | 7.5 | 111.4 | ||||
| 42 | S | 33.4 | Very low | 34.5 | Very low | 103 Ų | 103 | 146.1 Ų | 146.1 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | 67.7 | 154.4 | 147.1 | -70 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 43 | R | 33.6 | Very low | 34.5 | Very low | 232 Ų | 232 | 145.3 Ų | 145.3 | 88% | 0.875 | 77% | 0.766 | S | S | * | * | cis | -159.4 | 166.5 | 4.4 | -115.2 | 159 | -169.8 | -162.5 | 3.3 | 108.1 | ||||
| 44 | R | 32.4 | Very low | 34.6 | Very low | 214 Ų | 214 | 144 Ų | 144 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | cis | 174.6 | 121.5 | -37.1 | -178.3 | -166.9 | -154.1 | -79.2 | -1 | 107.6 | ||||
| 45 | R | 28.7 | Very low | 34.5 | Very low | 242 Ų | 242 | 144.6 Ų | 144.6 | 91% | 0.913 | 77% | 0.773 | S | S | * | * | trans | -157.4 | 147.3 | 150.8 | -151.7 | 169.2 | -170.3 | 165.2 | 4.8 | 111.8 | ||||
| 46 | E | 28.2 | Very low | 33.3 | Very low | 161 Ų | 161 | 149 Ų | 149 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | -142.6 | 169.4 | 175.1 | -104.6 | -161.6 | 141 | 0 | 0 | 110 | ||||
| 47 | P | 54.9 | Low | 33.4 | Very low | 110 Ų | 110 | 151.6 Ų | 151.6 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | trans | -96.6 | -140.6 | -167.6 | 44 | -40 | 0 | 0 | 0 | 111 | ||||
| 48 | P | 60.6 | Low | 33.5 | Very low | 122 Ų | 122 | 148.4 Ų | 148.4 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | cis | -135.8 | 177.3 | -20.7 | 39.2 | -21.5 | 0 | 0 | 0 | 116.2 | ||||
| 49 | A | 29.2 | Very low | 33.5 | Very low | 89 Ų | 89 | 150.7 Ų | 150.7 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | -159.3 | 134.8 | 148.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 50 | N | 30.8 | Very low | 33.5 | Very low | 157 Ų | 157 | 151.6 Ų | 151.6 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | 54 | 123.8 | 65.8 | -82 | -1.3 | 0 | 0 | 0 | 112 | |||||
| 51 | T | 31.6 | Very low | 33.5 | Very low | 134 Ų | 134 | 149.1 Ų | 149.1 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | cis | -152.4 | -172.7 | 33.7 | 48.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 52 | G | 29.5 | Very low | 33.6 | Very low | 71 Ų | 71 | 148.8 Ų | 148.8 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | trans | -145.8 | 138.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 53 | T | 31.9 | Very low | 33.6 | Very low | 127 Ų | 127 | 151.2 Ų | 151.2 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | trans | -161.2 | 134.6 | 170.7 | 19.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 54 | V | 29.3 | Very low | 33.5 | Very low | 149 Ų | 149 | 146.3 Ų | 146.3 | 90% | 0.903 | 79% | 0.794 | S | S | * | * | trans | -136.4 | 102.1 | 158.2 | 178.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 55 | E | 30.1 | Very low | 33.6 | Very low | 188 Ų | 188 | 141 Ų | 141 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -95.9 | 179.4 | 167.9 | -83.3 | -158.8 | 119.1 | 0 | 0 | 111.4 | ||||
| 56 | R | 30.1 | Very low | 33.6 | Very low | 224 Ų | 224 | 132.9 Ų | 132.9 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | -93.4 | 163.7 | -158.7 | -112.3 | -179.2 | 177.4 | 123.8 | -4.6 | 114.4 | ||||
| 57 | N | 30 | Very low | 33.9 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 67% | 0.668 | 80% | 0.796 | S | S | * | * | trans | 75.4 | 108.6 | 148.5 | -63.8 | -3.1 | 0 | 0 | 0 | 120.4 | ||||
| 58 | N | 32.3 | Very low | 33 | Very low | 137 Ų | 137 | 132.2 Ų | 132.2 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | 48.7 | 126.8 | 108.4 | -64.7 | 7.6 | 0 | 0 | 0 | 121.9 | |||||
| 59 | N | 29.5 | Very low | 31.5 | Very low | 136 Ų | 136 | 130.3 Ų | 130.3 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | 101.2 | 113.2 | 133.5 | -69.3 | -3.7 | 0 | 0 | 0 | 122 | ||||
| 60 | V | 32 | Very low | 32 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | 62.3 | 112.4 | 123.3 | 178.2 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 61 | A | 33.3 | Very low | 32.5 | Very low | 79 Ų | 79 | 135.6 Ų | 135.6 | 65% | 0.653 | 81% | 0.811 | S | S | * | * | -178 | 154.1 | 52.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 62 | K | 34.2 | Very low | 32.4 | Very low | 189 Ų | 189 | 136.5 Ų | 136.5 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | 165.3 | 122.6 | 110.9 | -90.6 | 174.9 | -176.8 | 175.7 | 0 | 114.3 | |||||
| 63 | N | 34 | Very low | 32.4 | Very low | 153 Ų | 153 | 136.5 Ų | 136.5 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | 36 | 116.1 | 141.2 | -54 | 10.1 | 0 | 0 | 0 | 121.3 | ||||
| 64 | S | 31.6 | Very low | 32.3 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | -160.1 | 166.8 | 118.4 | 40.5 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 65 | A | 34.2 | Very low | 32.4 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -115.6 | 142 | -153.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 66 | G | 29.1 | Very low | 32.4 | Very low | 71 Ų | 71 | 129.7 Ų | 129.7 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | 74.5 | 108 | 135.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 67 | T | 33.1 | Very low | 32.6 | Very low | 152 Ų | 152 | 123.1 Ų | 123.1 | 93% | 0.933 | 80% | 0.795 | S | S | * | * | -166.3 | 138.7 | 122.8 | -74 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 68 | A | 36.1 | Very low | 32.9 | Very low | 104 Ų | 104 | 129 Ų | 129 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -121.9 | 131.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 69 | G | 30.6 | Very low | 32.9 | Very low | 83 Ų | 83 | 127.1 Ų | 127.1 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | trans | -139.9 | 129.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 70 | R | 38.3 | Very low | 33.4 | Very low | 233 Ų | 233 | 124.3 Ų | 124.3 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | trans | -116.3 | 151.7 | 167.8 | -94.3 | 177.6 | 162.3 | -171.8 | -5.2 | 106.5 | ||||
| 71 | P | 41.8 | Very low | 33.7 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | cis | -122.9 | 175 | 49.5 | 8.9 | 17.2 | 0 | 0 | 0 | 113.2 | ||||
| 72 | N | 29.8 | Very low | 34.2 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 82% | 0.824 | 83% | 0.834 | S | S | * | * | cis | 85 | 101.5 | 20.7 | -159.8 | 61.2 | 0 | 0 | 0 | 115.6 | ||||
| 73 | G | 29.1 | Very low | 34.6 | Very low | 70 Ų | 70 | 136 Ų | 136 | 72% | 0.722 | 83% | 0.827 | S | S | * | * | trans | 177.4 | 78.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 74 | S | 29.8 | Very low | 35 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 76% | 0.762 | 83% | 0.828 | S | S | * | * | trans | 0.9 | 144.8 | 154.7 | 54.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 75 | S | 30.6 | Very low | 35.5 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | 74.2 | 145.7 | 144.4 | 73.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 76 | A | 31.7 | Very low | 36.4 | Very low | 95 Ų | 95 | 138.9 Ų | 138.9 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | cis | -163.8 | 162.6 | -15.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 77 | A | 33.9 | Very low | 37.5 | Very low | 86 Ų | 86 | 143 Ų | 143 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | trans | 67 | 117.6 | 150.4 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 78 | R | 36.8 | Very low | 39.2 | Very low | 248 Ų | 248 | 140.8 Ų | 140.8 | 94% | 0.936 | 80% | 0.798 | S | S | * | * | trans | 71.4 | 139.1 | 143 | -70.7 | 177.1 | 173.8 | 175.3 | -2.2 | 117.9 | ||||
| 79 | A | 31.6 | Very low | 41 | Very low | 98 Ų | 98 | 138.4 Ų | 138.4 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | cis | -159.7 | 165.2 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 80 | G | 40.8 | Very low | 43.5 | Very low | 76 Ų | 76 | 143.4 Ų | 143.4 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | 101.3 | 54.7 | 126.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 81 | R | 37.6 | Very low | 45.5 | Very low | 248 Ų | 248 | 137.2 Ų | 137.2 | 94% | 0.936 | 75% | 0.753 | S | S | * | * | trans | -118.1 | 121.4 | 150 | -73.7 | -170.1 | -178.4 | -111.4 | -1.5 | 110.7 | E83 | R81-E83 PolarHBondContact O-N 3Š| ||
| 82 | R | 44.4 | Very low | 47.5 | Very low | 253 Ų | 253 | 135.4 Ų | 135.4 | 96% | 0.955 | 74% | 0.736 | S | S | * | * | trans | -77.2 | 95.6 | 161.6 | -72.5 | -178.4 | 176.1 | -179.1 | -1.8 | 107.4 | ||||
| 83 | E | 41.7 | Very low | 50.1 | Low | 148 Ų | 148 | 132.2 Ų | 132.2 | 69% | 0.692 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 150.8 | 156.1 | -94.2 | -158.7 | 108.3 | 0 | 0 | 109.1 | R81 R86 | R81-E83 PolarHBondContact O-N 3Å; E83-R86 IonicContact OE1-NH2 2.72Å; E83-R86 PolarHBondContact OE1-NH2 3.1Å; E83-R86 IonicContact OE2-NH2 2.72Å |
| 84 | K | 41.9 | Very low | 52.7 | Low | 191 Ų | 191 | 132.1 Ų | 132.1 | 83% | 0.83 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 137 | 173 | -66 | 176.1 | 179.4 | 177.7 | 0 | 108.3 | R86 | K84-R86 PolarHBondContact O-N 2.98Å; K84-R86 VanDerWaalsContact O-N 3.1Å |
| 85 | G | 42.2 | Very low | 55.3 | Low | 67 Ų | 67 | 133.7 Ų | 133.7 | 69% | 0.691 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 118.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | D87 | G85-D87 PolarHBondContact O-N 3.13Š|
| 86 | R | 54.1 | Low | 58 | Low | 189 Ų | 189 | 131.8 Ų | 131.8 | 71% | 0.713 | 68% | 0.678 | S | S | * | * | trans | -84.5 | 101 | 157.8 | -58.7 | 176 | -146.8 | -148.7 | 2.5 | 103.4 | E83 K84 L88 | E83-R86 IonicContact OE1-NH2 2.72Å; E83-R86 PolarHBondContact OE1-NH2 3.1Å; E83-R86 IonicContact OE2-NH2 2.72Å; K84-R86 PolarHBondContact O-N 2.98Å; K84-R86 VanDerWaalsContact O-N 3.1Å; R86-L88 VanDerWaalsContact C-N 3.28Å; R86-L88 PolarHBondContact O-N 3.21Å | ||
| 87 | D | 52.6 | Low | 60.6 | Low | 158 Ų | 158 | 132.1 Ų | 132.1 | 85% | 0.845 | 67% | 0.666 | S | S | * | * | trans | -64.7 | 96.3 | 176.1 | -63.8 | -38.7 | 0 | 0 | 0 | 107.3 | G85 S89 | G85-D87 PolarHBondContact O-N 3.13Å; D87-S89 PolarHBondContact O-N 3.34Å | ||
| 88 | L | 68 | Low | 63 | Low | 105 Ų | 105 | 131 Ų | 131 | 55% | 0.55 | 65% | 0.653 | S | S | . | * | trans | -55.6 | 133.8 | 177.2 | -66.4 | 175.3 | 0 | 0 | 0 | 107.8 | R86 D92 | R86-L88 VanDerWaalsContact C-N 3.28Å; R86-L88 PolarHBondContact O-N 3.21Å; L88-D92 HydrophobicContact CB-CB 4.29Å | ||
| 89 | S | 74.6 | Confident | 65.4 | Low | 55 Ų | 55 | 124.1 Ų | 124.1 | 39% | 0.385 | 63% | 0.634 | S | S | . | * | trans | -62.7 | 156.6 | 176.8 | 78 | 0 | 0 | 0 | 0 | 109.3 | D87 D91 D92 L93 | D87-S89 PolarHBondContact O-N 3.34Å; S89-D91 PolarHBondContact O-N 2.87Å; S89-D91 PolarHBondContact OG-N 3.28Å; S89-D92 WeakPolarHBondContact CB-OD2 3.45Å; S89-D92 PolarHBondContact N-OD2 3.44Å; S89-D92 PolarHBondContact O-N 3.4Å; S89-D92 VanDerWaalsContact O-N 3.13Å; S89-D92 PolarHBondContact OG-N 3.21Å; S89-D92 VanDerWaalsContact OG-N 3.13Å; S89-D92 PolarHBondContact OG-OD2 3.11Å; S89-L93 PolarHBondContact O-N 3.47Å | ||
| 90 | R | 81.6 | Confident | 68.1 | Low | 188 Ų | 188 | 123.6 Ų | 123.6 | 71% | 0.709 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -51.1 | -35.1 | 176.1 | -178.7 | -173.1 | 166.1 | -76.8 | -1.9 | 111.6 | V94 | R90-V94 VanDerWaalsContact O-CG2 3.3Å; R90-V94 WeakPolarHBondContact O-CG2 3.47Å; R90-V94 PolarHBondContact O-N 3.45Å |
| 91 | D | 82 | Confident | 70.4 | Confident | 103 Ų | 103 | 126 Ų | 126 | 55% | 0.551 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -86.7 | -28.4 | -174 | -54.4 | -25.7 | 0 | 0 | 0 | 111.6 | S89 F95 | S89-D91 PolarHBondContact O-N 2.87Å; S89-D91 PolarHBondContact OG-N 3.28Å; D91-F95 VanDerWaalsContact O-CB 3.27Å; D91-F95 WeakPolarHBondContact O-CB 3.31Å; D91-F95 PolarHBondContact O-N 3.05Å |
| 92 | D | 83.4 | Confident | 72.9 | Confident | 84 Ų | 84 | 116.1 Ų | 116.1 | 45% | 0.449 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.9 | -42.2 | 164.9 | -61.3 | -56.7 | 0 | 0 | 0 | 111.2 | L88 S89 F95 L96 | L88-D92 HydrophobicContact CB-CB 4.29Å; S89-D92 WeakPolarHBondContact CB-OD2 3.45Å; S89-D92 PolarHBondContact N-OD2 3.44Å; S89-D92 PolarHBondContact O-N 3.4Å; S89-D92 VanDerWaalsContact O-N 3.13Å; S89-D92 PolarHBondContact OG-N 3.21Å; S89-D92 VanDerWaalsContact OG-N 3.13Å; S89-D92 PolarHBondContact OG-OD2 3.11Å; D92-F95 PolarHBondContact O-N 3Å; D92-L96 WeakPolarHBondContact O-CB 3.47Å; D92-L96 PolarHBondContact O-N 3.17Å |
| 93 | L | 83.6 | Confident | 74.9 | Confident | 88 Ų | 88 | 108.5 Ų | 108.5 | 46% | 0.461 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.1 | -42.3 | 178.4 | -179.2 | 60.9 | 0 | 0 | 0 | 111.4 | S89 L96 L97 | S89-L93 PolarHBondContact O-N 3.47Å; L93-L96 PolarHBondContact O-N 3.16Å; L93-L97 HydrophobicContact CD1-CD1 4.31Å; L93-L97 HydrophobicContact CD1-CG 4.42Å; L93-L97 HydrophobicContact CG-CD1 4.1Å; L93-L97 WeakPolarHBondContact O-CB 3.45Å; L93-L97 VanDerWaalsContact O-CG 3.23Å; L93-L97 WeakPolarHBondContact O-CG 3.43Å; L93-L97 PolarHBondContact O-N 3.29Å |
| 94 | V | 83.6 | Confident | 77.2 | Confident | 68 Ų | 68 | 106.5 Ų | 106.5 | 41% | 0.412 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.6 | -44.2 | 173.5 | 167.8 | 0 | 0 | 0 | 0 | 111 | R90 L96 L97 S98 | R90-V94 VanDerWaalsContact O-CG2 3.3Å; R90-V94 WeakPolarHBondContact O-CG2 3.47Å; R90-V94 PolarHBondContact O-N 3.45Å; V94-L96 PolarHBondContact O-N 3.16Å; V94-L97 PolarHBondContact O-N 3.1Å; V94-S98 PolarHBondContact O-N 3.11Å; V94-S98 PolarHBondContact O-OG 3.46Å |
| 95 | F | 85.1 | Confident | 79.4 | Confident | 142 Ų | 142 | 103.3 Ų | 103.3 | 62% | 0.623 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.3 | -44.5 | 176.5 | 177.5 | -105.4 | 0 | 0 | 0 | 112.2 | D91 D92 S98 L99 | D91-F95 VanDerWaalsContact O-CB 3.27Å; D91-F95 WeakPolarHBondContact O-CB 3.31Å; D91-F95 PolarHBondContact O-N 3.05Å; D92-F95 PolarHBondContact O-N 3Å; F95-S98 PolarHBondContact O-N 3.24Å; F95-L99 WeakPolarHBondContact O-CB 3.46Å; F95-L99 PolarHBondContact O-N 2.89Å |
| 96 | L | 86.6 | Confident | 81.3 | Confident | 78 Ų | 78 | 102.5 Ų | 102.5 | 41% | 0.408 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67 | -37.1 | 177.5 | -173.3 | 61.6 | 0 | 0 | 0 | 112.3 | D92 L93 V94 L99 L100 | D92-L96 WeakPolarHBondContact O-CB 3.47Å; D92-L96 PolarHBondContact O-N 3.17Å; L93-L96 PolarHBondContact O-N 3.16Å; V94-L96 PolarHBondContact O-N 3.16Å; L96-L99 PolarHBondContact O-N 3.32Å; L96-L100 HydrophobicContact CG-CD1 4.29Å; L96-L100 VanDerWaalsContact O-CG 3.31Å; L96-L100 WeakPolarHBondContact O-CG 3.25Å; L96-L100 PolarHBondContact O-N 3.49Å |
| 97 | L | 85.9 | Confident | 82.9 | Confident | 101 Ų | 101 | 100.2 Ų | 100.2 | 53% | 0.529 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.7 | -45.8 | 174 | -75.8 | 167.4 | 0 | 0 | 0 | 111.6 | L93 V94 L99 L100 E101 | L93-L97 HydrophobicContact CD1-CD1 4.31Å; L93-L97 HydrophobicContact CD1-CG 4.42Å; L93-L97 HydrophobicContact CG-CD1 4.1Å; L93-L97 WeakPolarHBondContact O-CB 3.45Å; L93-L97 VanDerWaalsContact O-CG 3.23Å; L93-L97 WeakPolarHBondContact O-CG 3.43Å; L93-L97 PolarHBondContact O-N 3.29Å; V94-L97 PolarHBondContact O-N 3.1Å; L97-L99 VanDerWaalsContact C-N 3.27Å; L97-L99 PolarHBondContact O-N 3.29Å; L97-L100 PolarHBondContact O-N 3.26Å; L97-E101 WeakPolarHBondContact O-CB 3.33Å; L97-E101 PolarHBondContact O-N 2.99Å |
| 98 | S | 86.1 | Confident | 84.4 | Confident | 63 Ų | 63 | 97.3 Ų | 97.3 | 44% | 0.441 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.5 | -30.2 | 174.8 | -64.9 | 0 | 0 | 0 | 0 | 113 | V94 F95 G102 | V94-S98 PolarHBondContact O-N 3.11Å; V94-S98 PolarHBondContact O-OG 3.46Å; F95-S98 PolarHBondContact O-N 3.24Å; S98-G102 PolarHBondContact O-N 3.29Å |
| 99 | L | 86.7 | Confident | 85.1 | Confident | 104 Ų | 104 | 98.2 Ų | 98.2 | 55% | 0.545 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.4 | -41.1 | 174 | -159.7 | 74.4 | 0 | 0 | 0 | 111.7 | F95 L96 L97 E103 | F95-L99 WeakPolarHBondContact O-CB 3.46Å; F95-L99 PolarHBondContact O-N 2.89Å; L96-L99 PolarHBondContact O-N 3.32Å; L97-L99 VanDerWaalsContact C-N 3.27Å; L97-L99 PolarHBondContact O-N 3.29Å; L99-E103 PolarHBondContact O-N 3.02Å |
| 100 | L | 87.6 | Confident | 85.4 | Confident | 86 Ų | 86 | 99.6 Ų | 99.6 | 45% | 0.45 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.7 | -35.2 | 176.2 | -71 | 167.1 | 0 | 0 | 0 | 112.7 | L96 L97 E103 L104 | L96-L100 HydrophobicContact CG-CD1 4.29Å; L96-L100 VanDerWaalsContact O-CG 3.31Å; L96-L100 WeakPolarHBondContact O-CG 3.25Å; L96-L100 PolarHBondContact O-N 3.49Å; L97-L100 PolarHBondContact O-N 3.26Å; L100-E103 PolarHBondContact O-N 3.39Å; L100-L104 WeakPolarHBondContact O-CB 3.46Å; L100-L104 PolarHBondContact O-N 3.38Å |
| 101 | E | 89.4 | Confident | 85.2 | Confident | 128 Ų | 128 | 94.2 Ų | 94.2 | 60% | 0.598 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.7 | -48.3 | 171.9 | -176.9 | 173.4 | -153.5 | 0 | 0 | 110.8 | L97 E103 L104 Q105 | L97-E101 WeakPolarHBondContact O-CB 3.33Å; L97-E101 PolarHBondContact O-N 2.99Å; E101-E103 PolarHBondContact O-N 3.42Å; E101-L104 PolarHBondContact O-N 3.43Å; E101-Q105 PolarHBondContact O-N 3.38Å |
| 102 | G | 89.1 | Confident | 85.2 | Confident | 39 Ų | 39 | 93.5 Ų | 93.5 | 40% | 0.402 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S98 A106 | S98-G102 PolarHBondContact O-N 3.29Å; G102-A106 WeakPolarHBondContact O-CB 3.44Å; G102-A106 PolarHBondContact O-N 2.85Å |
| 103 | E | 88.3 | Confident | 84.8 | Confident | 93 Ų | 93 | 93.6 Ų | 93.6 | 44% | 0.435 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.4 | -38.3 | 176 | -163.2 | -173.4 | 159.4 | 0 | 0 | 112.2 | L99 L100 E101 R107 | L99-E103 PolarHBondContact O-N 3.02Å; L100-E103 PolarHBondContact O-N 3.39Å; E101-E103 PolarHBondContact O-N 3.42Å; E103-R107 WeakPolarHBondContact O-CB 3.44Å; E103-R107 WeakPolarHBondContact O-CD 3.2Å; E103-R107 WeakPolarHBondContact O-CG 3.48Å; E103-R107 PolarHBondContact O-N 3.21Å; E103-R107 VanDerWaalsContact O-N 3.08Å; E103-R107 IonicContact OE1-CZ 2.66Å; E103-R107 VanDerWaalsContact OE1-CZ 3.23Å; E103-R107 IonicContact OE1-NE 3.25Å; E103-R107 PolarHBondContact OE1-NE 3.05Å; E103-R107 VanDerWaalsContact OE1-NE 3.12Å; E103-R107 IonicContact OE1-NH2 3.49Å; E103-R107 PolarHBondContact OE1-NH2 2.79Å |
| 104 | L | 88.4 | Confident | 84.2 | Confident | 107 Ų | 107 | 94.1 Ų | 94.1 | 56% | 0.56 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.4 | -48.7 | 173.2 | -85.5 | 163.6 | 0 | 0 | 0 | 111.5 | L100 E101 A106 R107 D108 | L100-L104 WeakPolarHBondContact O-CB 3.46Å; L100-L104 PolarHBondContact O-N 3.38Å; E101-L104 PolarHBondContact O-N 3.43Å; L104-A106 VanDerWaalsContact C-N 3.35Å; L104-A106 PolarHBondContact O-N 3.43Å; L104-R107 WeakPolarHBondContact O-CB 3.4Å; L104-R107 PolarHBondContact O-N 3.11Å; L104-R107 VanDerWaalsContact O-N 3.1Å; L104-D108 PolarHBondContact O-N 3.26Å |
| 105 | Q | 88.3 | Confident | 83.5 | Confident | 124 Ų | 124 | 98.2 Ų | 98.2 | 58% | 0.579 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.5 | -42 | 179.8 | -173.1 | 172.2 | -13.8 | 0 | 0 | 112 | E101 R107 D108 E109 | E101-Q105 PolarHBondContact O-N 3.38Å; Q105-R107 VanDerWaalsContact C-N 3.31Å; Q105-R107 PolarHBondContact O-N 2.91Å; Q105-D108 PolarHBondContact O-N 3.4Å; Q105-E109 PolarHBondContact O-N 3.5Å |
| 106 | A | 83.3 | Confident | 82.7 | Confident | 49 Ų | 49 | 95.8 Ų | 95.8 | 41% | 0.405 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64 | -34.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | G102 L104 V110 | G102-A106 WeakPolarHBondContact O-CB 3.44Å; G102-A106 PolarHBondContact O-N 2.85Å; L104-A106 VanDerWaalsContact C-N 3.35Å; L104-A106 PolarHBondContact O-N 3.43Å; A106-V110 WeakPolarHBondContact O-CB 3.16Å; A106-V110 VanDerWaalsContact O-CG2 3.31Å; A106-V110 WeakPolarHBondContact O-CG2 3.23Å; A106-V110 PolarHBondContact O-N 3.42Å |
| 107 | R | 86.3 | Confident | 81.7 | Confident | 142 Ų | 142 | 99.1 Ų | 99.1 | 54% | 0.536 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.5 | -40.5 | 174 | -72.9 | 164.5 | 176.2 | -138 | 2.9 | 111.7 | E103 L104 Q105 V110 I111 | E103-R107 WeakPolarHBondContact O-CB 3.44Å; E103-R107 WeakPolarHBondContact O-CD 3.2Å; E103-R107 WeakPolarHBondContact O-CG 3.48Å; E103-R107 PolarHBondContact O-N 3.21Å; E103-R107 VanDerWaalsContact O-N 3.08Å; E103-R107 IonicContact OE1-CZ 2.66Å; E103-R107 VanDerWaalsContact OE1-CZ 3.23Å; E103-R107 IonicContact OE1-NE 3.25Å; E103-R107 PolarHBondContact OE1-NE 3.05Å; E103-R107 VanDerWaalsContact OE1-NE 3.12Å; E103-R107 IonicContact OE1-NH2 3.49Å; E103-R107 PolarHBondContact OE1-NH2 2.79Å; L104-R107 WeakPolarHBondContact O-CB 3.4Å; L104-R107 PolarHBondContact O-N 3.11Å; L104-R107 VanDerWaalsContact O-N 3.1Å; Q105-R107 VanDerWaalsContact C-N 3.31Å; Q105-R107 PolarHBondContact O-N 2.91Å; R107-V110 PolarHBondContact O-N 2.98Å; R107-I111 WeakPolarHBondContact O-CB 3.48Å; R107-I111 WeakPolarHBondContact O-CD1 3.49Å; R107-I111 VanDerWaalsContact O-CG1 3.23Å; R107-I111 WeakPolarHBondContact O-CG1 3.37Å; R107-I111 PolarHBondContact O-N 3.48Å |
| 108 | D | 85.3 | Confident | 80.2 | Confident | 97 Ų | 97 | 102 Ų | 102 | 52% | 0.519 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70.7 | -34.5 | 177.4 | -80.2 | -27.8 | 0 | 0 | 0 | 112.8 | L104 Q105 I111 T112 | L104-D108 PolarHBondContact O-N 3.26Å; Q105-D108 PolarHBondContact O-N 3.4Å; D108-I111 PolarHBondContact O-N 2.67Å; D108-T112 VanDerWaalsContact O-CB 3.32Å; D108-T112 WeakPolarHBondContact O-CB 3.31Å; D108-T112 PolarHBondContact O-N 3.35Å; D108-T112 PolarHBondContact O-OG1 2.88Å |
| 109 | E | 82.9 | Confident | 78.9 | Confident | 123 Ų | 123 | 104.6 Ų | 104.6 | 58% | 0.575 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.9 | -48.5 | 168.2 | -76.7 | -171.9 | 153.8 | 0 | 0 | 111.3 | Q105 I111 T112 V113 | Q105-E109 PolarHBondContact O-N 3.5Å; E109-I111 VanDerWaalsContact C-N 3.33Å; E109-I111 PolarHBondContact O-N 3.47Å; E109-T112 CarbonylContact O-C 3.59Å; E109-T112 WeakPolarHBondContact O-CA 3.37Å; E109-T112 WeakPolarHBondContact O-CB 3.48Å; E109-T112 PolarHBondContact O-N 3.44Å; E109-V113 WeakPolarHBondContact O-CG2 3.27Å; E109-V113 PolarHBondContact O-N 2.9Å |
| 110 | V | 79.7 | Confident | 77.3 | Confident | 84 Ų | 84 | 104.6 Ų | 104.6 | 51% | 0.509 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.3 | -38.6 | 176.8 | 168.5 | 0 | 0 | 0 | 0 | 112 | A106 R107 T112 V113 L114 | A106-V110 WeakPolarHBondContact O-CB 3.16Å; A106-V110 VanDerWaalsContact O-CG2 3.31Å; A106-V110 WeakPolarHBondContact O-CG2 3.23Å; A106-V110 PolarHBondContact O-N 3.42Å; R107-V110 PolarHBondContact O-N 2.98Å; V110-T112 VanDerWaalsContact C-N 3.3Å; V110-T112 PolarHBondContact O-N 3.49Å; V110-V113 PolarHBondContact O-N 2.92Å; V110-L114 HydrophobicContact CG1-CD1 3.76Å; V110-L114 HydrophobicContact CG1-CG 4.31Å; V110-L114 VanDerWaalsContact O-CB 3.29Å; V110-L114 WeakPolarHBondContact O-CB 3.43Å; V110-L114 VanDerWaalsContact O-CG 3.25Å; V110-L114 WeakPolarHBondContact O-CG 3.4Å; V110-L114 PolarHBondContact O-N 2.89Å |
| 111 | I | 78.9 | Confident | 75.8 | Confident | 75 Ų | 75 | 106.8 Ų | 106.8 | 39% | 0.385 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.1 | -34.1 | 173.5 | -72.9 | 164.8 | 0 | 0 | 0 | 111.3 | R107 D108 E109 K115 | R107-I111 WeakPolarHBondContact O-CB 3.48Å; R107-I111 WeakPolarHBondContact O-CD1 3.49Å; R107-I111 VanDerWaalsContact O-CG1 3.23Å; R107-I111 WeakPolarHBondContact O-CG1 3.37Å; R107-I111 PolarHBondContact O-N 3.48Å; D108-I111 PolarHBondContact O-N 2.67Å; E109-I111 VanDerWaalsContact C-N 3.33Å; E109-I111 PolarHBondContact O-N 3.47Å; I111-K115 HydrophobicContact CG2-CD 4.1Å; I111-K115 WeakPolarHBondContact O-CB 3.5Å; I111-K115 WeakPolarHBondContact O-CD 3.31Å; I111-K115 WeakPolarHBondContact O-CG 3.37Å; I111-K115 PolarHBondContact O-N 3.37Å |
| 112 | T | 80.8 | Confident | 74.4 | Confident | 89 Ų | 89 | 103.4 Ų | 103.4 | 55% | 0.546 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -71.8 | -43.4 | 177.2 | -59 | 0 | 0 | 0 | 0 | 111.2 | D108 E109 V110 K115 A116 | D108-T112 VanDerWaalsContact O-CB 3.32Å; D108-T112 WeakPolarHBondContact O-CB 3.31Å; D108-T112 PolarHBondContact O-N 3.35Å; D108-T112 PolarHBondContact O-OG1 2.88Å; E109-T112 CarbonylContact O-C 3.59Å; E109-T112 WeakPolarHBondContact O-CA 3.37Å; E109-T112 WeakPolarHBondContact O-CB 3.48Å; E109-T112 PolarHBondContact O-N 3.44Å; V110-T112 VanDerWaalsContact C-N 3.3Å; V110-T112 PolarHBondContact O-N 3.49Å; T112-K115 PolarHBondContact O-N 3.2Å; T112-A116 PolarHBondContact O-N 3.26Å |
| 113 | V | 76.1 | Confident | 73.1 | Confident | 86 Ų | 86 | 107.5 Ų | 107.5 | 52% | 0.521 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.2 | -49.6 | 172.1 | 174 | 0 | 0 | 0 | 0 | 110.6 | E109 V110 K115 A116 E117 | E109-V113 WeakPolarHBondContact O-CG2 3.27Å; E109-V113 PolarHBondContact O-N 2.9Å; V110-V113 PolarHBondContact O-N 2.92Å; V113-K115 PolarHBondContact O-N 2.93Å; V113-A116 CarbonylContact O-C 3.59Å; V113-A116 PolarHBondContact O-N 3.45Å; V113-E117 VanDerWaalsContact O-CB 3.31Å; V113-E117 WeakPolarHBondContact O-CB 3.37Å; V113-E117 PolarHBondContact O-N 3.37Å |
| 114 | L | 71.1 | Confident | 71.6 | Confident | 99 Ų | 99 | 107.8 Ų | 107.8 | 52% | 0.518 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.8 | -13.7 | 178.3 | -70.1 | 172.9 | 0 | 0 | 0 | 114.3 | V110 | V110-L114 HydrophobicContact CG1-CD1 3.76Å; V110-L114 HydrophobicContact CG1-CG 4.31Å; V110-L114 VanDerWaalsContact O-CB 3.29Å; V110-L114 WeakPolarHBondContact O-CB 3.43Å; V110-L114 VanDerWaalsContact O-CG 3.25Å; V110-L114 WeakPolarHBondContact O-CG 3.4Å; V110-L114 PolarHBondContact O-N 2.89Å |
| 115 | K | 68.8 | Low | 70.3 | Confident | 153 Ų | 153 | 108.9 Ų | 108.9 | 67% | 0.665 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -84.6 | -39.8 | 167.2 | -79.7 | 168.8 | -179.3 | 171.8 | 0 | 111.6 | I111 T112 V113 | I111-K115 HydrophobicContact CG2-CD 4.1Å; I111-K115 WeakPolarHBondContact O-CB 3.5Å; I111-K115 WeakPolarHBondContact O-CD 3.31Å; I111-K115 WeakPolarHBondContact O-CG 3.37Å; I111-K115 PolarHBondContact O-N 3.37Å; T112-K115 PolarHBondContact O-N 3.2Å; V113-K115 PolarHBondContact O-N 2.93Å |
| 116 | A | 68.1 | Low | 69 | Low | 91 Ų | 91 | 107.3 Ų | 107.3 | 75% | 0.752 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71.5 | -33.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | T112 V113 K118 | T112-A116 PolarHBondContact O-N 3.26Å; V113-A116 CarbonylContact O-C 3.59Å; V113-A116 PolarHBondContact O-N 3.45Å; A116-K118 VanDerWaalsContact C-N 3.25Å; A116-K118 PolarHBondContact O-N 3.37Å |
| 117 | E | 64.1 | Low | 67.7 | Low | 148 Ų | 148 | 113 Ų | 113 | 69% | 0.692 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -3.1 | 179.6 | -162.2 | 169.1 | -135.4 | 0 | 0 | 112.6 | V113 I119 | V113-E117 VanDerWaalsContact O-CB 3.31Å; V113-E117 WeakPolarHBondContact O-CB 3.37Å; V113-E117 PolarHBondContact O-N 3.37Å; E117-I119 PolarHBondContact O-N 2.81Å |
| 118 | K | 56.3 | Low | 66.4 | Low | 161 Ų | 161 | 115.7 Ų | 115.7 | 70% | 0.7 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -85.7 | 84.5 | -175 | -136.5 | -179.7 | -175 | -174.5 | 0 | 113.1 | A116 | A116-K118 VanDerWaalsContact C-N 3.25Å; A116-K118 PolarHBondContact O-N 3.37Å |
| 119 | I | 57 | Low | 65 | Low | 118 Ų | 118 | 113.5 Ų | 113.5 | 61% | 0.605 | 61% | 0.607 | S | S | * | * | trans | 77.2 | 94.6 | 161.1 | -51.5 | 164.4 | 0 | 0 | 0 | 113.9 | E117 L121 | E117-I119 PolarHBondContact O-N 2.81Å; I119-L121 HydrophobicContact CG2-CD1 4.45Å; I119-L121 PolarHBondContact O-N 3.43Å | ||
| 120 | D | 54.8 | Low | 63.2 | Low | 105 Ų | 105 | 115.6 Ų | 115.6 | 56% | 0.561 | 62% | 0.615 | S | S | * | * | trans | -62.5 | 112.1 | 148.9 | 172.9 | 15.6 | 0 | 0 | 0 | 108.9 | A122 L123 | D120-A122 VanDerWaalsContact C-N 3.31Å; D120-A122 PolarHBondContact O-N 2.88Å; D120-A122 WeakPolarHBondContact OD1-CB 3.42Å; D120-A122 PolarHBondContact OD1-N 3.43Å; D120-L123 HydrophobicContact CB-CB 4.46Å | ||
| 121 | L | 55.7 | Low | 61.6 | Low | 132 Ų | 132 | 117.6 Ų | 117.6 | 69% | 0.691 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.1 | -28.9 | -176.1 | -160.6 | 65.8 | 0 | 0 | 0 | 112 | I119 L124 E125 | I119-L121 HydrophobicContact CG2-CD1 4.45Å; I119-L121 PolarHBondContact O-N 3.43Å; L121-L124 PolarHBondContact O-N 3.06Å; L121-E125 PolarHBondContact O-N 2.96Å; L121-E125 VanDerWaalsContact O-N 3.17Å |
| 122 | A | 59.5 | Low | 60.2 | Low | 56 Ų | 56 | 118 Ų | 118 | 46% | 0.463 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -70.1 | -35.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D120 L124 E125 A126 | D120-A122 VanDerWaalsContact C-N 3.31Å; D120-A122 PolarHBondContact O-N 2.88Å; D120-A122 WeakPolarHBondContact OD1-CB 3.42Å; D120-A122 PolarHBondContact OD1-N 3.43Å; A122-L124 VanDerWaalsContact C-N 3.27Å; A122-L124 PolarHBondContact O-N 3.15Å; A122-E125 PolarHBondContact O-N 3.41Å; A122-A126 WeakPolarHBondContact O-CB 3.47Å; A122-A126 PolarHBondContact O-N 2.91Å |
| 123 | L | 61.4 | Low | 58.9 | Low | 125 Ų | 125 | 119.6 Ų | 119.6 | 65% | 0.654 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -67.4 | -27.6 | 178.5 | -159.8 | 74.9 | 0 | 0 | 0 | 113 | D120 | D120-L123 HydrophobicContact CB-CB 4.46Å |
| 124 | L | 57.1 | Low | 57.6 | Low | 100 Ų | 100 | 123.6 Ų | 123.6 | 52% | 0.524 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -83 | -39.4 | 176.9 | -168.5 | 62.8 | 0 | 0 | 0 | 111.6 | L121 A122 A126 K127 Y128 | L121-L124 PolarHBondContact O-N 3.06Å; A122-L124 VanDerWaalsContact C-N 3.27Å; A122-L124 PolarHBondContact O-N 3.15Å; L124-A126 VanDerWaalsContact C-N 3.34Å; L124-A126 PolarHBondContact O-N 2.9Å; L124-K127 PolarHBondContact O-N 3.44Å; L124-Y128 HydrophobicContact CD1-CD2 4.24Å; L124-Y128 PolarHBondContact O-N 3.16Å |
| 125 | E | 61.2 | Low | 57 | Low | 130 Ų | 130 | 126.4 Ų | 126.4 | 61% | 0.607 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -56.4 | -47.5 | 171.3 | -176.8 | 173.7 | -166.7 | 0 | 0 | 111.3 | L121 A122 K127 Y128 G129 | L121-E125 PolarHBondContact O-N 2.96Å; L121-E125 VanDerWaalsContact O-N 3.17Å; A122-E125 PolarHBondContact O-N 3.41Å; E125-K127 PolarHBondContact O-N 2.67Å; E125-K127 VanDerWaalsContact O-N 3.09Å; E125-Y128 PolarHBondContact O-N 3.25Å; E125-G129 PolarHBondContact O-N 2.75Å |
| 126 | A | 60.2 | Low | 56.5 | Low | 90 Ų | 90 | 124.1 Ų | 124.1 | 74% | 0.744 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -62.1 | -14.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | A122 L124 | A122-A126 WeakPolarHBondContact O-CB 3.47Å; A122-A126 PolarHBondContact O-N 2.91Å; L124-A126 VanDerWaalsContact C-N 3.34Å; L124-A126 PolarHBondContact O-N 2.9Å |
| 127 | K | 55.8 | Low | 55.8 | Low | 169 Ų | 169 | 126.5 Ų | 126.5 | 74% | 0.735 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -104.5 | -19.2 | -179.7 | -105.2 | -179.8 | 177.6 | 175 | 0 | 115.3 | L124 E125 | L124-K127 PolarHBondContact O-N 3.44Å; E125-K127 PolarHBondContact O-N 2.67Å; E125-K127 VanDerWaalsContact O-N 3.09Å |
| 128 | Y | 60.9 | Low | 55.5 | Low | 199 Ų | 199 | 125.9 Ų | 125.9 | 78% | 0.78 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -133 | -11 | -173.7 | -75.6 | -72.5 | 0 | 0 | 0 | 116.8 | L124 E125 | L124-Y128 HydrophobicContact CD1-CD2 4.24Å; L124-Y128 PolarHBondContact O-N 3.16Å; E125-Y128 PolarHBondContact O-N 3.25Å |
| 129 | G | 54.6 | Low | 55.7 | Low | 51 Ų | 51 | 120 Ų | 120 | 53% | 0.526 | 64% | 0.643 | S | S | . | * | trans | 66.9 | 118.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | E125 V131 | E125-G129 PolarHBondContact O-N 2.75Å; G129-V131 PolarHBondContact O-N 2.74Å; G129-V131 VanDerWaalsContact O-N 3.13Å | ||
| 130 | F | 44.9 | Very low | 55.6 | Low | 167 Ų | 167 | 120.2 Ų | 120.2 | 73% | 0.732 | 64% | 0.644 | S | S | * | * | trans | -72.2 | 105.9 | -178.3 | -158 | -72.1 | 0 | 0 | 0 | 113.1 | T132 | F130-T132 HydrophobicContact CD1-CG2 3.93Å; F130-T132 HydrophobicContact CE1-CG2 3.84Å; F130-T132 PolarHBondContact O-N 2.84Å; F130-T132 VanDerWaalsContact O-N 3.1Å | ||
| 131 | V | 47.1 | Very low | 55.7 | Low | 126 Ų | 126 | 122.2 Ų | 122.2 | 76% | 0.764 | 65% | 0.65 | S | S | * | * | trans | -77 | 94.1 | 172.9 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | G129 | G129-V131 PolarHBondContact O-N 2.74Å; G129-V131 VanDerWaalsContact O-N 3.13Å | ||
| 132 | T | 49 | Very low | 55.8 | Low | 83 Ų | 83 | 123.9 Ų | 123.9 | 51% | 0.509 | 65% | 0.647 | S | S | . | * | trans | -79 | 123.7 | 173.6 | 11.3 | 0 | 0 | 0 | 0 | 110.8 | F130 Q134 | F130-T132 HydrophobicContact CD1-CG2 3.93Å; F130-T132 HydrophobicContact CE1-CG2 3.84Å; F130-T132 PolarHBondContact O-N 2.84Å; F130-T132 VanDerWaalsContact O-N 3.1Å; T132-Q134 PolarHBondContact O-N 2.75Å | ||
| 133 | P | 54 | Low | 55.6 | Low | 122 Ų | 122 | 125.9 Ų | 125.9 | 79% | 0.792 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | 54.2 | -171.9 | 34.2 | -38 | 0 | 0 | 0 | 113.6 | ||
| 134 | Q | 48.3 | Very low | 55.2 | Low | 170 Ų | 170 | 124 Ų | 124 | 79% | 0.794 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.5 | -4.2 | 178.4 | -147 | 158.3 | 7.7 | 0 | 0 | 115.7 | T132 | T132-Q134 PolarHBondContact O-N 2.75Š|
| 135 | K | 58.6 | Low | 55 | Low | 158 Ų | 158 | 126.2 Ų | 126.2 | 69% | 0.687 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -102 | -11.2 | 176.4 | -71.8 | -178.2 | 177.1 | 176 | 0 | 115.2 | Q138 A139 | K135-Q138 PolarHBondContact O-N 2.84Å; K135-A139 PolarHBondContact O-N 3.3Å |
| 136 | V | 57.3 | Low | 54.5 | Low | 105 Ų | 105 | 128.7 Ų | 128.7 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -66.8 | -41.4 | -177.3 | -176.1 | 0 | 0 | 0 | 0 | 112.2 | Q138 A139 L140 | V136-Q138 VanDerWaalsContact C-N 3.29Å; V136-Q138 PolarHBondContact O-N 2.83Å; V136-A139 WeakPolarHBondContact O-CB 3.41Å; V136-A139 PolarHBondContact O-N 3.35Å; V136-A139 VanDerWaalsContact O-N 3.16Å; V136-L140 PolarHBondContact O-N 2.98Å |
| 137 | L | 53.8 | Low | 53.8 | Low | 141 Ų | 141 | 127.9 Ų | 127.9 | 74% | 0.738 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -61.5 | -35.3 | 176.8 | -87.2 | 159.9 | 0 | 0 | 0 | 112.8 | Q141 | L137-Q141 PolarHBondContact O-N 3.26Å |
| 138 | Q | 58.6 | Low | 53 | Low | 135 Ų | 135 | 129.7 Ų | 129.7 | 63% | 0.631 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -77 | -22.9 | 177.2 | -71 | -177.7 | -19.4 | 0 | 0 | 113.4 | K135 V136 | K135-Q138 PolarHBondContact O-N 2.84Å; V136-Q138 VanDerWaalsContact C-N 3.29Å; V136-Q138 PolarHBondContact O-N 2.83Å |
| 139 | A | 59.4 | Low | 52.1 | Low | 39 Ų | 39 | 124.9 Ų | 124.9 | 32% | 0.322 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -69.7 | -53.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | K135 V136 Q141 R142 | K135-A139 PolarHBondContact O-N 3.3Å; V136-A139 WeakPolarHBondContact O-CB 3.41Å; V136-A139 PolarHBondContact O-N 3.35Å; V136-A139 VanDerWaalsContact O-N 3.16Å; A139-Q141 PolarHBondContact O-N 3.14Å; A139-Q141 VanDerWaalsContact O-N 3.17Å; A139-R142 PolarHBondContact O-N 3.08Å |
| 140 | L | 55.1 | Low | 51.2 | Low | 122 Ų | 122 | 129 Ų | 129 | 64% | 0.639 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -59.6 | -29.9 | -177.4 | -164.1 | 69.1 | 0 | 0 | 0 | 113 | V136 R142 D143 A144 | V136-L140 PolarHBondContact O-N 2.98Å; L140-R142 VanDerWaalsContact C-N 3.3Å; L140-R142 PolarHBondContact O-N 3.44Å; L140-D143 PolarHBondContact O-N 2.9Å; L140-A144 PolarHBondContact O-N 3.25Å |
| 141 | Q | 57.1 | Low | 51.4 | Low | 146 Ų | 146 | 126 Ų | 126 | 68% | 0.682 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -72.3 | -16 | 177.6 | -125.7 | 176.3 | -4.3 | 0 | 0 | 114.7 | L137 A139 | L137-Q141 PolarHBondContact O-N 3.26Å; A139-Q141 PolarHBondContact O-N 3.14Å; A139-Q141 VanDerWaalsContact O-N 3.17Å |
| 142 | R | 58.2 | Low | 51.2 | Low | 168 Ų | 168 | 129.9 Ų | 129.9 | 63% | 0.634 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -84.1 | -43.2 | 170.7 | -58 | 179.7 | -51.1 | 145.9 | 22.8 | 111.2 | A139 L140 A144 I145 | A139-R142 PolarHBondContact O-N 3.08Å; L140-R142 VanDerWaalsContact C-N 3.3Å; L140-R142 PolarHBondContact O-N 3.44Å; R142-A144 PolarHBondContact O-N 3.34Å; R142-I145 PolarHBondContact O-N 3.17Å |
| 143 | D | 54.7 | Low | 51.4 | Low | 97 Ų | 97 | 135 Ų | 135 | 52% | 0.519 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -68.3 | -22.4 | -170.3 | -53.6 | -15.4 | 0 | 0 | 0 | 111.2 | L140 I145 | L140-D143 PolarHBondContact O-N 2.9Å; D143-I145 PolarHBondContact O-N 3.39Å |
| 144 | A | 53.4 | Low | 51.3 | Low | 86 Ų | 86 | 136 Ų | 136 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -12 | 170 | 0 | 0 | 0 | 0 | 0 | 115.6 | L140 R142 | L140-A144 PolarHBondContact O-N 3.25Å; R142-A144 PolarHBondContact O-N 3.34Å |
| 145 | I | 53.6 | Low | 51.8 | Low | 147 Ų | 147 | 132.8 Ų | 132.8 | 75% | 0.754 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | -3.8 | -173.1 | -47.7 | -177.7 | 0 | 0 | 0 | 112.2 | R142 D143 | R142-I145 PolarHBondContact O-N 3.17Å; D143-I145 PolarHBondContact O-N 3.39Å |
| 146 | Q | 49.5 | Very low | 52 | Low | 181 Ų | 181 | 131.6 Ų | 131.6 | 85% | 0.846 | 69% | 0.691 | S | S | * | * | trans | -119 | 35.7 | -172.7 | -151.6 | 153.4 | 32.4 | 0 | 0 | 115.1 | K148 | Q146-K148 PolarHBondContact O-N 3.35Š| ||
| 147 | G | 45.7 | Very low | 52.5 | Low | 73 Ų | 73 | 135 Ų | 135 | 75% | 0.753 | 69% | 0.694 | S | S | * | * | trans | -72.2 | 122.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 148 | K | 39.5 | Very low | 53.5 | Low | 208 Ų | 208 | 135.1 Ų | 135.1 | 90% | 0.904 | 69% | 0.691 | S | S | * | * | trans | -135.8 | 141.8 | 153.9 | -76.8 | -163 | 173.7 | -171.6 | 0 | 109.5 | Q146 | Q146-K148 PolarHBondContact O-N 3.35Š| ||
| 149 | S | 40.9 | Very low | 54.3 | Low | 98 Ų | 98 | 133.6 Ų | 133.6 | 69% | 0.685 | 68% | 0.682 | S | S | * | * | trans | -75.2 | 164.6 | 176.6 | 60.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 150 | D | 37.3 | Very low | 55.3 | Low | 138 Ų | 138 | 135.3 Ų | 135.3 | 74% | 0.738 | 69% | 0.69 | S | S | * | * | -142.1 | 133.3 | 60.8 | -81.6 | -19.8 | 0 | 0 | 0 | 116.5 | |||||
| 151 | V | 48.2 | Very low | 56.5 | Low | 104 Ų | 104 | 134.3 Ų | 134.3 | 63% | 0.63 | 68% | 0.683 | S | S | * | * | 49.8 | 114.2 | 121.6 | -174.5 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 152 | F | 42.3 | Very low | 57.8 | Low | 206 Ų | 206 | 129.2 Ų | 129.2 | 90% | 0.904 | 67% | 0.666 | S | S | * | * | -159.8 | 161.1 | 110.4 | -97.3 | -66.9 | 0 | 0 | 0 | 110.2 | |||||
| 153 | Q | 53.9 | Low | 59.1 | Low | 192 Ų | 192 | 127.4 Ų | 127.4 | 90% | 0.897 | 66% | 0.664 | S | S | * | * | trans | -92.5 | 135.6 | -176.2 | -66.2 | 173.8 | -80.8 | 0 | 0 | 112.1 | ||||
| 154 | E | 52.4 | Low | 60.6 | Low | 142 Ų | 142 | 127 Ų | 127 | 66% | 0.664 | 66% | 0.662 | S | S | * | * | trans | -147.8 | 159.2 | 163.3 | -99.1 | 172.2 | 104.2 | 0 | 0 | 108.5 | I156 K159 | E154-I156 PolarHBondContact O-N 3.43Å; E154-K159 VanDerWaalsContact CD-CE 3.43Å; E154-K159 WeakPolarHBondContact OE1-CE 3.16Å; E154-K159 IonicContact OE1-NZ 2.92Å; E154-K159 PolarHBondContact OE1-NZ 2.68Å; E154-K159 IonicContact OE2-NZ 2.64Å; E154-K159 PolarHBondContact OE2-NZ 2.9Å | ||
| 155 | D | 57.3 | Low | 62.3 | Low | 102 Ų | 102 | 127.7 Ų | 127.7 | 55% | 0.545 | 65% | 0.654 | S | S | . | * | trans | -66.5 | 131.6 | -178.1 | -163 | -35.6 | 0 | 0 | 0 | 111.2 | Y157 E158 | D155-Y157 PolarHBondContact O-N 3.04Å; D155-Y157 PolarHBondContact OD1-N 3.31Å; D155-Y157 VanDerWaalsContact OD1-N 3.13Å; D155-E158 HydrophobicContact CB-CB 4.35Å | ||
| 156 | I | 64 | Low | 64 | Low | 134 Ų | 134 | 127.3 Ų | 127.3 | 69% | 0.687 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -26.4 | -173.2 | -59.2 | 174.7 | 0 | 0 | 0 | 111.3 | E154 P160 | E154-I156 PolarHBondContact O-N 3.43Å; I156-P160 WeakPolarHBondContact O-CD 3.46Å |
| 157 | Y | 66.9 | Low | 66.1 | Low | 177 Ų | 177 | 123.8 Ų | 123.8 | 69% | 0.694 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -20.1 | -173 | -63.5 | -79.7 | 0 | 0 | 0 | 115 | D155 M161 | D155-Y157 PolarHBondContact O-N 3.04Å; D155-Y157 PolarHBondContact OD1-N 3.31Å; D155-Y157 VanDerWaalsContact OD1-N 3.13Å; Y157-M161 WeakPolarHBondContact O-CB 3.47Å; Y157-M161 WeakPolarHBondContact O-CG 3.38Å; Y157-M161 PolarHBondContact O-N 3.27Å |
| 158 | E | 75.6 | Confident | 68.2 | Low | 143 Ų | 143 | 122.4 Ų | 122.4 | 67% | 0.668 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.4 | -44.6 | -173.4 | -170.8 | 169.5 | -161.6 | 0 | 0 | 112.4 | D155 M161 A162 | D155-E158 HydrophobicContact CB-CB 4.35Å; E158-M161 PolarHBondContact O-N 2.84Å; E158-A162 WeakPolarHBondContact O-CB 3.44Å; E158-A162 PolarHBondContact O-N 3.29Å |
| 159 | K | 75.6 | Confident | 70.7 | Confident | 103 Ų | 103 | 116.8 Ų | 116.8 | 45% | 0.448 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.1 | -48.9 | 179.2 | -65.7 | 178.4 | -178.1 | 176.1 | 0 | 113.2 | E154 M161 A162 E163 | E154-K159 VanDerWaalsContact CD-CE 3.43Å; E154-K159 WeakPolarHBondContact OE1-CE 3.16Å; E154-K159 IonicContact OE1-NZ 2.92Å; E154-K159 PolarHBondContact OE1-NZ 2.68Å; E154-K159 IonicContact OE2-NZ 2.64Å; E154-K159 PolarHBondContact OE2-NZ 2.9Å; K159-M161 VanDerWaalsContact C-N 3.33Å; K159-M161 PolarHBondContact O-N 3.41Å; K159-A162 PolarHBondContact O-N 3.1Å; K159-E163 WeakPolarHBondContact O-CG 3.49Å; K159-E163 PolarHBondContact O-N 3.43Å |
| 160 | P | 79 | Confident | 73.2 | Confident | 75 Ų | 75 | 119.1 Ų | 119.1 | 49% | 0.487 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.5 | -38.4 | 176.9 | -25.3 | 35.7 | 0 | 0 | 0 | 113.6 | I156 E163 L164 | I156-P160 WeakPolarHBondContact O-CD 3.46Å; P160-E163 PolarHBondContact O-N 2.78Å; P160-L164 WeakPolarHBondContact O-CB 3.43Å; P160-L164 PolarHBondContact O-N 3.25Å |
| 161 | M | 81.9 | Confident | 75.7 | Confident | 101 Ų | 101 | 117.4 Ų | 117.4 | 50% | 0.498 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.9 | -45.9 | 175.9 | -74.3 | -58.8 | -57.6 | 0 | 0 | 111.7 | Y157 E158 K159 E163 L164 D165 | Y157-M161 WeakPolarHBondContact O-CB 3.47Å; Y157-M161 WeakPolarHBondContact O-CG 3.38Å; Y157-M161 PolarHBondContact O-N 3.27Å; E158-M161 PolarHBondContact O-N 2.84Å; K159-M161 VanDerWaalsContact C-N 3.33Å; K159-M161 PolarHBondContact O-N 3.41Å; M161-E163 PolarHBondContact O-N 2.8Å; M161-L164 PolarHBondContact O-N 2.99Å; M161-L164 VanDerWaalsContact O-N 3.12Å; M161-L164 HydrophobicContact SD-CD2 4.43Å; M161-D165 PolarHBondContact O-N 2.86Å |
| 162 | A | 83.5 | Confident | 77.9 | Confident | 38 Ų | 38 | 119.4 Ų | 119.4 | 31% | 0.314 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.4 | -23 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E158 K159 K166 | E158-A162 WeakPolarHBondContact O-CB 3.44Å; E158-A162 PolarHBondContact O-N 3.29Å; K159-A162 PolarHBondContact O-N 3.1Å; A162-K166 WeakPolarHBondContact O-CD 3.26Å; A162-K166 WeakPolarHBondContact O-CE 3.42Å; A162-K166 WeakPolarHBondContact O-CG 3.33Å; A162-K166 PolarHBondContact O-N 2.8Å |
| 163 | E | 84.8 | Confident | 80.3 | Confident | 130 Ų | 130 | 112.2 Ų | 112.2 | 61% | 0.607 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -80.6 | -37.4 | 170.1 | -74.5 | -178.7 | -172.8 | 0 | 0 | 112.6 | K159 P160 M161 K166 L167 | K159-E163 WeakPolarHBondContact O-CG 3.49Å; K159-E163 PolarHBondContact O-N 3.43Å; P160-E163 PolarHBondContact O-N 2.78Å; M161-E163 PolarHBondContact O-N 2.8Å; E163-K166 PolarHBondContact O-N 2.94Å; E163-L167 PolarHBondContact O-N 3.43Å |
| 164 | L | 86.2 | Confident | 82.1 | Confident | 88 Ų | 88 | 106.5 Ų | 106.5 | 46% | 0.461 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64 | -43.5 | 174.3 | -176.8 | 60.4 | 0 | 0 | 0 | 111.9 | P160 M161 K166 L167 V168 | P160-L164 WeakPolarHBondContact O-CB 3.43Å; P160-L164 PolarHBondContact O-N 3.25Å; M161-L164 PolarHBondContact O-N 2.99Å; M161-L164 VanDerWaalsContact O-N 3.12Å; M161-L164 HydrophobicContact SD-CD2 4.43Å; L164-K166 PolarHBondContact O-N 3.44Å; L164-L167 WeakPolarHBondContact O-CB 3.48Å; L164-L167 PolarHBondContact O-N 2.88Å; L164-L167 VanDerWaalsContact O-N 3.11Å; L164-V168 WeakPolarHBondContact O-CG2 3.23Å; L164-V168 PolarHBondContact O-N 2.9Å |
| 165 | D | 89 | Confident | 84 | Confident | 101 Ų | 101 | 104.4 Ų | 104.4 | 54% | 0.54 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 175.6 | -79 | -34 | 0 | 0 | 0 | 112 | M161 L167 V168 E169 | M161-D165 PolarHBondContact O-N 2.86Å; D165-L167 VanDerWaalsContact C-N 3.28Å; D165-L167 PolarHBondContact O-N 3.35Å; D165-V168 PolarHBondContact O-N 2.72Å; D165-E169 WeakPolarHBondContact O-CB 3.23Å; D165-E169 PolarHBondContact O-N 2.73Å |
| 166 | K | 90.6 | Very high | 85.8 | Confident | 139 Ų | 139 | 105.4 Ų | 105.4 | 60% | 0.604 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62 | -35.9 | 171.6 | -72.2 | 164.1 | -161.5 | 153.8 | 0 | 111.8 | A162 E163 L164 K170 | A162-K166 WeakPolarHBondContact O-CD 3.26Å; A162-K166 WeakPolarHBondContact O-CE 3.42Å; A162-K166 WeakPolarHBondContact O-CG 3.33Å; A162-K166 PolarHBondContact O-N 2.8Å; E163-K166 PolarHBondContact O-N 2.94Å; L164-K166 PolarHBondContact O-N 3.44Å; K166-K170 WeakPolarHBondContact O-CB 3.46Å; K166-K170 PolarHBondContact O-N 3.44Å |
| 167 | L | 92.5 | Very high | 87.3 | Confident | 108 Ų | 108 | 105.5 Ų | 105.5 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70 | -43.9 | 175.9 | -178.3 | 62 | 0 | 0 | 0 | 111.7 | E163 L164 D165 K170 Q171 | E163-L167 PolarHBondContact O-N 3.43Å; L164-L167 WeakPolarHBondContact O-CB 3.48Å; L164-L167 PolarHBondContact O-N 2.88Å; L164-L167 VanDerWaalsContact O-N 3.11Å; D165-L167 VanDerWaalsContact C-N 3.28Å; D165-L167 PolarHBondContact O-N 3.35Å; L167-K170 PolarHBondContact O-N 2.82Å; L167-Q171 WeakPolarHBondContact O-CB 3.43Å; L167-Q171 PolarHBondContact O-N 3.25Å |
| 168 | V | 91.6 | Very high | 88.6 | Confident | 44 Ų | 44 | 102.7 Ų | 102.7 | 27% | 0.267 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 176.8 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | L164 D165 Q171 R172 | L164-V168 WeakPolarHBondContact O-CG2 3.23Å; L164-V168 PolarHBondContact O-N 2.9Å; D165-V168 PolarHBondContact O-N 2.72Å; V168-Q171 WeakPolarHBondContact O-CB 3.35Å; V168-Q171 PolarHBondContact O-N 2.72Å; V168-R172 WeakPolarHBondContact O-CG 3.26Å; V168-R172 PolarHBondContact O-N 2.82Å |
| 169 | E | 91.9 | Very high | 89.5 | Confident | 89 Ų | 89 | 101.5 Ų | 101.5 | 42% | 0.416 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71 | -35.3 | 178.2 | -159.9 | 55.5 | -135.8 | 0 | 0 | 111.7 | D165 Q171 R172 E173 | D165-E169 WeakPolarHBondContact O-CB 3.23Å; D165-E169 PolarHBondContact O-N 2.73Å; E169-Q171 VanDerWaalsContact C-N 3.29Å; E169-Q171 PolarHBondContact O-N 2.76Å; E169-R172 PolarHBondContact O-N 3.37Å; E169-R172 WeakPolarHBondContact OE2-CD 3.34Å; E169-R172 IonicContact OE2-CZ 2.58Å; E169-R172 IonicContact OE2-NE 2.65Å; E169-R172 IonicContact OE2-NH1 3.67Å; E169-R172 PolarHBondContact OE2-NH1 2.85Å; E169-E173 WeakPolarHBondContact O-CB 3.38Å; E169-E173 PolarHBondContact O-N 3.11Å |
| 170 | K | 92.3 | Very high | 90.4 | Very high | 148 Ų | 148 | 102.8 Ų | 102.8 | 64% | 0.643 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.8 | -33.2 | 169.5 | -173.1 | 175.1 | -178.3 | -180 | 0 | 112.4 | K166 L167 T174 | K166-K170 WeakPolarHBondContact O-CB 3.46Å; K166-K170 PolarHBondContact O-N 3.44Å; L167-K170 PolarHBondContact O-N 2.82Å; K170-T174 WeakPolarHBondContact O-CG2 3.36Å; K170-T174 PolarHBondContact O-N 2.96Å; K170-T174 PolarHBondContact O-OG1 3.36Å |
| 171 | Q | 90.2 | Very high | 91.2 | Very high | 101 Ų | 101 | 105.8 Ų | 105.8 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.4 | -40.9 | 173.9 | -172.8 | -179.1 | 16.3 | 0 | 0 | 111.8 | L167 V168 E169 E173 T174 H175 | L167-Q171 WeakPolarHBondContact O-CB 3.43Å; L167-Q171 PolarHBondContact O-N 3.25Å; V168-Q171 WeakPolarHBondContact O-CB 3.35Å; V168-Q171 PolarHBondContact O-N 2.72Å; E169-Q171 VanDerWaalsContact C-N 3.29Å; E169-Q171 PolarHBondContact O-N 2.76Å; Q171-E173 VanDerWaalsContact C-N 3.31Å; Q171-E173 PolarHBondContact O-N 2.87Å; Q171-T174 PolarHBondContact O-N 3.35Å; Q171-T174 PolarHBondContact O-OG1 3.08Å; Q171-T174 VanDerWaalsContact O-OG1 3.11Å; Q171-H175 PolarHBondContact NE2-CE1 3.5Å; Q171-H175 VanDerWaalsContact O-CB 3.31Å; Q171-H175 WeakPolarHBondContact O-CB 3.28Å; Q171-H175 PolarHBondContact O-CD2 2.88Å; Q171-H175 PolarHBondContact O-N 2.68Å |
| 172 | R | 93.8 | Very high | 91.8 | Very high | 146 Ų | 146 | 106.4 Ų | 106.4 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.9 | -43.2 | 171.4 | -71.3 | 164.8 | 177 | 164.6 | 3 | 111 | V168 E169 R176 | V168-R172 WeakPolarHBondContact O-CG 3.26Å; V168-R172 PolarHBondContact O-N 2.82Å; E169-R172 PolarHBondContact O-N 3.37Å; E169-R172 WeakPolarHBondContact OE2-CD 3.34Å; E169-R172 IonicContact OE2-CZ 2.58Å; E169-R172 IonicContact OE2-NE 2.65Å; E169-R172 IonicContact OE2-NH1 3.67Å; E169-R172 PolarHBondContact OE2-NH1 2.85Å; R172-R176 WeakPolarHBondContact O-CB 3.26Å; R172-R176 PolarHBondContact O-N 2.89Å |
| 173 | E | 94.2 | Very high | 92.4 | Very high | 55 Ų | 55 | 108.6 Ų | 108.6 | 26% | 0.257 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.1 | -48.3 | 176.3 | -174.5 | 61.9 | -147.5 | 0 | 0 | 112.5 | E169 Q171 R176 R177 | E169-E173 WeakPolarHBondContact O-CB 3.38Å; E169-E173 PolarHBondContact O-N 3.11Å; Q171-E173 VanDerWaalsContact C-N 3.31Å; Q171-E173 PolarHBondContact O-N 2.87Å; E173-R176 PolarHBondContact O-N 3.35Å; E173-R176 IonicContact OE1-NH1 2.66Å; E173-R176 PolarHBondContact OE1-NH1 3.24Å; E173-R176 IonicContact OE2-CZ 3.66Å; E173-R176 IonicContact OE2-NH1 3.93Å; E173-R176 PolarHBondContact OE2-NH1 2.8Å; E173-R176 IonicContact OE2-NH2 2.67Å; E173-R176 PolarHBondContact OE2-NH2 2.96Å; E173-R177 WeakPolarHBondContact O-CG 3.4Å; E173-R177 PolarHBondContact O-N 2.9Å; E173-R177 VanDerWaalsContact O-N 3.08Å; E173-R177 IonicContact OE1-CZ 3.65Å; E173-R177 IonicContact OE1-NE 3.81Å; E173-R177 PolarHBondContact OE1-NE 3.21Å; E173-R177 IonicContact OE1-NH2 2.71Å; E173-R177 PolarHBondContact OE1-NH2 3.24Å |
| 174 | T | 91.8 | Very high | 92.9 | Very high | 73 Ų | 73 | 108.1 Ų | 108.1 | 45% | 0.448 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.7 | -39.6 | 178.1 | 54.4 | 0 | 0 | 0 | 0 | 112.3 | K170 Q171 R176 R177 M178 | K170-T174 WeakPolarHBondContact O-CG2 3.36Å; K170-T174 PolarHBondContact O-N 2.96Å; K170-T174 PolarHBondContact O-OG1 3.36Å; Q171-T174 PolarHBondContact O-N 3.35Å; Q171-T174 PolarHBondContact O-OG1 3.08Å; Q171-T174 VanDerWaalsContact O-OG1 3.11Å; T174-R176 VanDerWaalsContact C-N 3.33Å; T174-R176 PolarHBondContact O-N 3.49Å; T174-R177 PolarHBondContact O-N 2.79Å; T174-M178 VanDerWaalsContact O-CB 3.25Å; T174-M178 WeakPolarHBondContact O-CB 3.39Å; T174-M178 PolarHBondContact O-N 3.46Å |
| 175 | H | 91.9 | Very high | 93.3 | Very high | 97 Ų | 97 | 108.5 Ų | 108.5 | 45% | 0.449 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 173.9 | -71.7 | -179.6 | 0 | 0 | 0 | 111.8 | Q171 M178 L179 | Q171-H175 PolarHBondContact NE2-CE1 3.5Å; Q171-H175 VanDerWaalsContact O-CB 3.31Å; Q171-H175 WeakPolarHBondContact O-CB 3.28Å; Q171-H175 PolarHBondContact O-CD2 2.88Å; Q171-H175 PolarHBondContact O-N 2.68Å; H175-M178 PolarHBondContact O-N 3.49Å; H175-L179 WeakPolarHBondContact O-CB 3.47Å; H175-L179 PolarHBondContact O-N 3.37Å |
| 176 | R | 95 | Very high | 93.6 | Very high | 123 Ų | 123 | 107.8 Ų | 107.8 | 46% | 0.464 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -48.2 | 177.7 | -154.1 | -168.8 | -36.2 | 100.1 | 2.4 | 111.8 | R172 E173 T174 M178 L179 E180 | R172-R176 WeakPolarHBondContact O-CB 3.26Å; R172-R176 PolarHBondContact O-N 2.89Å; E173-R176 PolarHBondContact O-N 3.35Å; E173-R176 IonicContact OE1-NH1 2.66Å; E173-R176 PolarHBondContact OE1-NH1 3.24Å; E173-R176 IonicContact OE2-CZ 3.66Å; E173-R176 IonicContact OE2-NH1 3.93Å; E173-R176 PolarHBondContact OE2-NH1 2.8Å; E173-R176 IonicContact OE2-NH2 2.67Å; E173-R176 PolarHBondContact OE2-NH2 2.96Å; T174-R176 VanDerWaalsContact C-N 3.33Å; T174-R176 PolarHBondContact O-N 3.49Å; R176-M178 VanDerWaalsContact C-N 3.33Å; R176-M178 PolarHBondContact O-N 3.38Å; R176-L179 PolarHBondContact O-N 2.89Å; R176-E180 WeakPolarHBondContact O-CB 3.5Å; R176-E180 PolarHBondContact O-N 2.93Å |
| 177 | R | 94 | Very high | 93.8 | Very high | 137 Ų | 137 | 105.4 Ų | 105.4 | 52% | 0.517 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 176.8 | -68.1 | 177 | -167.1 | -169.8 | 2.9 | 112.4 | E173 T174 E180 Q181 | E173-R177 WeakPolarHBondContact O-CG 3.4Å; E173-R177 PolarHBondContact O-N 2.9Å; E173-R177 VanDerWaalsContact O-N 3.08Å; E173-R177 IonicContact OE1-CZ 3.65Å; E173-R177 IonicContact OE1-NE 3.81Å; E173-R177 PolarHBondContact OE1-NE 3.21Å; E173-R177 IonicContact OE1-NH2 2.71Å; E173-R177 PolarHBondContact OE1-NH2 3.24Å; T174-R177 PolarHBondContact O-N 2.79Å; R177-E180 PolarHBondContact O-N 3.23Å; R177-Q181 WeakPolarHBondContact O-CB 3.34Å; R177-Q181 VanDerWaalsContact O-CG 3.31Å; R177-Q181 WeakPolarHBondContact O-CG 3.43Å; R177-Q181 PolarHBondContact O-N 2.92Å |
| 178 | M | 94.4 | Very high | 93.9 | Very high | 118 Ų | 118 | 102.9 Ų | 102.9 | 58% | 0.581 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65 | -41.4 | 176.1 | -178.6 | 175.2 | 66 | 0 | 0 | 111.6 | T174 H175 R176 L182 | T174-M178 VanDerWaalsContact O-CB 3.25Å; T174-M178 WeakPolarHBondContact O-CB 3.39Å; T174-M178 PolarHBondContact O-N 3.46Å; H175-M178 PolarHBondContact O-N 3.49Å; R176-M178 VanDerWaalsContact C-N 3.33Å; R176-M178 PolarHBondContact O-N 3.38Å; M178-L182 VanDerWaalsContact O-CB 3.3Å; M178-L182 WeakPolarHBondContact O-CB 3.25Å; M178-L182 PolarHBondContact O-N 3.44Å |
| 179 | L | 95.6 | Very high | 94.1 | Very high | 118 Ų | 118 | 106 Ų | 106 | 62% | 0.618 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.6 | -40.6 | 175.6 | -177.3 | 61.6 | 0 | 0 | 0 | 112 | H175 R176 L182 L183 | H175-L179 WeakPolarHBondContact O-CB 3.47Å; H175-L179 PolarHBondContact O-N 3.37Å; R176-L179 PolarHBondContact O-N 2.89Å; L179-L182 PolarHBondContact O-N 2.82Å; L179-L183 WeakPolarHBondContact O-CB 3.48Å; L179-L183 PolarHBondContact O-N 2.84Å |
| 180 | E | 94.7 | Very high | 94.3 | Very high | 130 Ų | 130 | 106.2 Ų | 106.2 | 61% | 0.607 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.1 | -44.8 | 175.6 | -174.9 | 174.4 | -158.8 | 0 | 0 | 112 | R176 R177 L183 M184 | R176-E180 WeakPolarHBondContact O-CB 3.5Å; R176-E180 PolarHBondContact O-N 2.93Å; R177-E180 PolarHBondContact O-N 3.23Å; E180-L183 PolarHBondContact O-N 2.7Å; E180-M184 WeakPolarHBondContact O-CG 3.47Å; E180-M184 PolarHBondContact O-N 3.11Å |
| 181 | Q | 94.4 | Very high | 94.4 | Very high | 137 Ų | 137 | 104.9 Ų | 104.9 | 64% | 0.64 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.6 | -42.4 | 173 | -74.9 | 178.3 | -1.4 | 0 | 0 | 112.1 | R177 L183 M184 V185 | R177-Q181 WeakPolarHBondContact O-CB 3.34Å; R177-Q181 VanDerWaalsContact O-CG 3.31Å; R177-Q181 WeakPolarHBondContact O-CG 3.43Å; R177-Q181 PolarHBondContact O-N 2.92Å; Q181-L183 VanDerWaalsContact C-N 3.34Å; Q181-L183 PolarHBondContact O-N 2.76Å; Q181-M184 PolarHBondContact O-N 3.11Å; Q181-V185 WeakPolarHBondContact O-CG2 3.33Å; Q181-V185 PolarHBondContact O-N 2.8Å |
| 182 | L | 95.1 | Very high | 94.7 | Very high | 114 Ų | 114 | 102.2 Ų | 102.2 | 60% | 0.597 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.9 | -42.2 | 176.7 | -177.9 | 62.4 | 0 | 0 | 0 | 111.4 | M178 L179 V185 E186 | M178-L182 VanDerWaalsContact O-CB 3.3Å; M178-L182 WeakPolarHBondContact O-CB 3.25Å; M178-L182 PolarHBondContact O-N 3.44Å; L179-L182 PolarHBondContact O-N 2.82Å; L182-V185 PolarHBondContact O-N 2.9Å; L182-E186 WeakPolarHBondContact O-CB 3.32Å; L182-E186 PolarHBondContact O-N 3.17Å |
| 183 | L | 96 | Very high | 94.8 | Very high | 84 Ų | 84 | 99.5 Ų | 99.5 | 44% | 0.44 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 175.7 | -179.6 | 62.4 | 0 | 0 | 0 | 111.9 | L179 E180 Q181 E186 Q187 | L179-L183 WeakPolarHBondContact O-CB 3.48Å; L179-L183 PolarHBondContact O-N 2.84Å; E180-L183 PolarHBondContact O-N 2.7Å; Q181-L183 VanDerWaalsContact C-N 3.34Å; Q181-L183 PolarHBondContact O-N 2.76Å; L183-E186 PolarHBondContact O-N 3.34Å; L183-Q187 HydrophobicContact CD1-CG 4.42Å; L183-Q187 WeakPolarHBondContact O-CB 3.36Å; L183-Q187 WeakPolarHBondContact O-CG 3.42Å; L183-Q187 PolarHBondContact O-N 2.86Å |
| 184 | M | 95.7 | Very high | 94.9 | Very high | 121 Ų | 121 | 105.5 Ų | 105.5 | 60% | 0.596 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.8 | -40.2 | 175.6 | -72.9 | -61.8 | -68.3 | 0 | 0 | 112.2 | E180 Q181 A188 | E180-M184 WeakPolarHBondContact O-CG 3.47Å; E180-M184 PolarHBondContact O-N 3.11Å; Q181-M184 PolarHBondContact O-N 3.11Å; M184-A188 WeakPolarHBondContact O-CB 3.31Å; M184-A188 PolarHBondContact O-N 2.9Å |
| 185 | V | 95.4 | Very high | 95.1 | Very high | 96 Ų | 96 | 108.6 Ų | 108.6 | 58% | 0.582 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.1 | -41 | 173.8 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | Q181 L182 A188 H189 | Q181-V185 WeakPolarHBondContact O-CG2 3.33Å; Q181-V185 PolarHBondContact O-N 2.8Å; L182-V185 PolarHBondContact O-N 2.9Å; V185-A188 PolarHBondContact O-N 3.41Å; V185-H189 VanDerWaalsContact O-CB 3.27Å; V185-H189 WeakPolarHBondContact O-CB 3.48Å; V185-H189 PolarHBondContact O-N 3.24Å |
| 186 | E | 94.1 | Very high | 95.3 | Very high | 86 Ų | 86 | 108.8 Ų | 108.8 | 40% | 0.402 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 177 | -161.3 | -149.5 | -172.7 | 0 | 0 | 111.6 | L182 L183 H189 K190 | L182-E186 WeakPolarHBondContact O-CB 3.32Å; L182-E186 PolarHBondContact O-N 3.17Å; L183-E186 PolarHBondContact O-N 3.34Å; E186-H189 PolarHBondContact O-N 2.86Å; E186-K190 VanDerWaalsContact CD-CE 3.45Å; E186-K190 WeakPolarHBondContact O-CB 3.23Å; E186-K190 VanDerWaalsContact O-CG 3.3Å; E186-K190 WeakPolarHBondContact O-CG 3.44Å; E186-K190 PolarHBondContact O-N 2.99Å; E186-K190 WeakPolarHBondContact OE1-CE 3.43Å; E186-K190 IonicContact OE1-NZ 2.64Å; E186-K190 PolarHBondContact OE1-NZ 3.13Å; E186-K190 IonicContact OE2-NZ 2.65Å; E186-K190 PolarHBondContact OE2-NZ 2.64Å |
| 187 | Q | 95.1 | Very high | 95.3 | Very high | 89 Ų | 89 | 106.5 Ų | 106.5 | 42% | 0.416 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 175.1 | -71.9 | -179 | 25.1 | 0 | 0 | 111.9 | L183 H189 K190 Q191 | L183-Q187 HydrophobicContact CD1-CG 4.42Å; L183-Q187 WeakPolarHBondContact O-CB 3.36Å; L183-Q187 WeakPolarHBondContact O-CG 3.42Å; L183-Q187 PolarHBondContact O-N 2.86Å; Q187-H189 VanDerWaalsContact C-N 3.33Å; Q187-H189 PolarHBondContact O-N 3.24Å; Q187-K190 PolarHBondContact O-N 2.72Å; Q187-Q191 WeakPolarHBondContact O-CG 3.31Å; Q187-Q191 PolarHBondContact O-N 3.21Å |
| 188 | A | 94.8 | Very high | 95.3 | Very high | 55 Ų | 55 | 103.4 Ų | 103.4 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.6 | -39.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | M184 V185 Q191 A192 | M184-A188 WeakPolarHBondContact O-CB 3.31Å; M184-A188 PolarHBondContact O-N 2.9Å; V185-A188 PolarHBondContact O-N 3.41Å; A188-Q191 PolarHBondContact O-N 3.35Å; A188-A192 PolarHBondContact O-N 2.85Å |
| 189 | H | 95 | Very high | 95.4 | Very high | 109 Ų | 109 | 103.7 Ų | 103.7 | 51% | 0.505 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 175.7 | -175.2 | 58.3 | 0 | 0 | 0 | 112 | V185 E186 Q187 Q191 A192 L193 | V185-H189 VanDerWaalsContact O-CB 3.27Å; V185-H189 WeakPolarHBondContact O-CB 3.48Å; V185-H189 PolarHBondContact O-N 3.24Å; E186-H189 PolarHBondContact O-N 2.86Å; Q187-H189 VanDerWaalsContact C-N 3.33Å; Q187-H189 PolarHBondContact O-N 3.24Å; H189-Q191 VanDerWaalsContact C-N 3.33Å; H189-Q191 PolarHBondContact O-N 3.44Å; H189-A192 PolarHBondContact O-N 3.48Å; H189-A192 VanDerWaalsContact O-N 3.16Å; H189-L193 WeakPolarHBondContact O-CG 3.38Å; H189-L193 PolarHBondContact O-N 3.39Å |
| 190 | K | 96.1 | Very high | 95.4 | Very high | 94 Ų | 94 | 104 Ų | 104 | 41% | 0.409 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.5 | -44.2 | 172.4 | -73.9 | 166.8 | -177.3 | 168.3 | 0 | 111.5 | E186 Q187 A192 L193 Y194 | E186-K190 VanDerWaalsContact CD-CE 3.45Å; E186-K190 WeakPolarHBondContact O-CB 3.23Å; E186-K190 VanDerWaalsContact O-CG 3.3Å; E186-K190 WeakPolarHBondContact O-CG 3.44Å; E186-K190 PolarHBondContact O-N 2.99Å; E186-K190 WeakPolarHBondContact OE1-CE 3.43Å; E186-K190 IonicContact OE1-NZ 2.64Å; E186-K190 PolarHBondContact OE1-NZ 3.13Å; E186-K190 IonicContact OE2-NZ 2.65Å; E186-K190 PolarHBondContact OE2-NZ 2.64Å; Q187-K190 PolarHBondContact O-N 2.72Å; K190-A192 PolarHBondContact O-N 2.92Å; K190-L193 PolarHBondContact O-N 2.74Å; K190-Y194 WeakPolarHBondContact O-CD2 3.4Å; K190-Y194 PolarHBondContact O-N 3.41Å |
| 191 | Q | 95.6 | Very high | 95.4 | Very high | 120 Ų | 120 | 104 Ų | 104 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.8 | -38.4 | 175.3 | -70.1 | 179.1 | 19.9 | 0 | 0 | 113 | Q187 A188 H189 Y194 K195 | Q187-Q191 WeakPolarHBondContact O-CG 3.31Å; Q187-Q191 PolarHBondContact O-N 3.21Å; A188-Q191 PolarHBondContact O-N 3.35Å; H189-Q191 VanDerWaalsContact C-N 3.33Å; H189-Q191 PolarHBondContact O-N 3.44Å; Q191-Y194 PolarHBondContact O-N 3.34Å; Q191-K195 WeakPolarHBondContact O-CG 3.48Å; Q191-K195 PolarHBondContact O-N 3.36Å; Q191-K195 VanDerWaalsContact O-N 3.16Å |
| 192 | A | 96 | Very high | 95.5 | Very high | 45 Ų | 45 | 101.7 Ų | 101.7 | 37% | 0.372 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A188 H189 K190 Y194 K195 L196 | A188-A192 PolarHBondContact O-N 2.85Å; H189-A192 PolarHBondContact O-N 3.48Å; H189-A192 VanDerWaalsContact O-N 3.16Å; K190-A192 PolarHBondContact O-N 2.92Å; A192-Y194 PolarHBondContact O-N 3.02Å; A192-K195 PolarHBondContact O-N 3.18Å; A192-L196 WeakPolarHBondContact O-CG 3.25Å; A192-L196 PolarHBondContact O-N 2.93Å |
| 193 | L | 96 | Very high | 95.5 | Very high | 89 Ų | 89 | 101.9 Ų | 101.9 | 47% | 0.466 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 174.8 | -70.7 | 175.6 | 0 | 0 | 0 | 112.2 | H189 K190 K195 L196 E197 | H189-L193 WeakPolarHBondContact O-CG 3.38Å; H189-L193 PolarHBondContact O-N 3.39Å; K190-L193 PolarHBondContact O-N 2.74Å; L193-K195 PolarHBondContact O-N 3.09Å; L193-L196 PolarHBondContact O-N 3.01Å; L193-E197 WeakPolarHBondContact O-CB 3.36Å; L193-E197 PolarHBondContact O-N 3.01Å |
| 194 | Y | 96.3 | Very high | 95.5 | Very high | 180 Ų | 180 | 99.5 Ų | 99.5 | 71% | 0.706 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.1 | -40.4 | 175.1 | -76.4 | -56.3 | 0 | 0 | 0 | 112.7 | K190 Q191 A192 D198 | K190-Y194 WeakPolarHBondContact O-CD2 3.4Å; K190-Y194 PolarHBondContact O-N 3.41Å; Q191-Y194 PolarHBondContact O-N 3.34Å; A192-Y194 PolarHBondContact O-N 3.02Å; Y194-D198 WeakPolarHBondContact O-CB 3.48Å; Y194-D198 PolarHBondContact O-N 3.45Å |
| 195 | K | 96.2 | Very high | 95.4 | Very high | 138 Ų | 138 | 97.1 Ų | 97.1 | 60% | 0.6 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.3 | -46.6 | 175.4 | -71.4 | 176.3 | -179.4 | -179.7 | 0 | 111.9 | Q191 A192 L193 E197 D198 E199 | Q191-K195 WeakPolarHBondContact O-CG 3.48Å; Q191-K195 PolarHBondContact O-N 3.36Å; Q191-K195 VanDerWaalsContact O-N 3.16Å; A192-K195 PolarHBondContact O-N 3.18Å; L193-K195 PolarHBondContact O-N 3.09Å; K195-E197 VanDerWaalsContact C-N 3.35Å; K195-E197 PolarHBondContact O-N 2.8Å; K195-D198 PolarHBondContact O-N 3.37Å; K195-D198 VanDerWaalsContact O-N 3.16Å; K195-E199 WeakPolarHBondContact O-CB 3.22Å; K195-E199 WeakPolarHBondContact O-CG 3.49Å; K195-E199 PolarHBondContact O-N 3.32Å |
| 196 | L | 95.3 | Very high | 95.5 | Very high | 102 Ų | 102 | 99 Ų | 99 | 53% | 0.534 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.8 | -39.3 | 178.1 | -71.9 | 169.5 | 0 | 0 | 0 | 112.4 | A192 L193 D198 K200 | A192-L196 WeakPolarHBondContact O-CG 3.25Å; A192-L196 PolarHBondContact O-N 2.93Å; L193-L196 PolarHBondContact O-N 3.01Å; L196-D198 VanDerWaalsContact C-N 3.32Å; L196-K200 WeakPolarHBondContact O-CB 3.48Å; L196-K200 PolarHBondContact O-N 3.23Å |
| 197 | E | 94.9 | Very high | 95.5 | Very high | 74 Ų | 74 | 98.5 Ų | 98.5 | 35% | 0.346 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.2 | -30.1 | 176.2 | -171 | 59.9 | -144.4 | 0 | 0 | 111.8 | L193 K195 K200 R201 | L193-E197 WeakPolarHBondContact O-CB 3.36Å; L193-E197 PolarHBondContact O-N 3.01Å; K195-E197 VanDerWaalsContact C-N 3.35Å; K195-E197 PolarHBondContact O-N 2.8Å; E197-K200 IonicContact OE1-NZ 3.48Å; E197-K200 PolarHBondContact OE1-NZ 3.5Å; E197-K200 IonicContact OE2-NZ 2.62Å; E197-K200 PolarHBondContact OE2-NZ 3.06Å; E197-R201 WeakPolarHBondContact O-CG 3.25Å; E197-R201 PolarHBondContact O-N 2.91Å |
| 198 | D | 95 | Very high | 95.6 | Very high | 72 Ų | 72 | 100 Ų | 100 | 39% | 0.385 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -75.2 | -45.6 | 173.5 | -155.6 | 65.8 | 0 | 0 | 0 | 112.8 | Y194 K195 L196 K200 R201 N202 | Y194-D198 WeakPolarHBondContact O-CB 3.48Å; Y194-D198 PolarHBondContact O-N 3.45Å; K195-D198 PolarHBondContact O-N 3.37Å; K195-D198 VanDerWaalsContact O-N 3.16Å; L196-D198 VanDerWaalsContact C-N 3.32Å; D198-K200 PolarHBondContact O-N 3.01Å; D198-R201 WeakPolarHBondContact O-CB 3.36Å; D198-R201 PolarHBondContact O-N 2.85Å; D198-R201 IonicContact OD1-NH1 3.17Å; D198-R201 PolarHBondContact OD1-NH1 2.92Å; D198-N202 WeakPolarHBondContact O-CB 3.41Å; D198-N202 VanDerWaalsContact O-CG 3.3Å; D198-N202 PolarHBondContact O-N 2.9Å; D198-N202 PolarHBondContact O-ND2 3.47Å; D198-N202 PolarHBondContact OD2-ND2 2.79Å |
| 199 | E | 95.4 | Very high | 95.7 | Very high | 124 Ų | 124 | 101.7 Ų | 101.7 | 58% | 0.579 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -54.1 | -39.5 | 169.8 | -74 | 173.3 | -174.1 | 0 | 0 | 111.4 | K195 N202 H203 | K195-E199 WeakPolarHBondContact O-CB 3.22Å; K195-E199 WeakPolarHBondContact O-CG 3.49Å; K195-E199 PolarHBondContact O-N 3.32Å; E199-N202 PolarHBondContact O-N 2.88Å; E199-H203 VanDerWaalsContact O-CB 3.31Å; E199-H203 WeakPolarHBondContact O-CB 3.47Å; E199-H203 PolarHBondContact O-N 2.88Å |
| 200 | K | 95.4 | Very high | 95.7 | Very high | 125 Ų | 125 | 98.7 Ų | 98.7 | 54% | 0.543 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 173.4 | 170.4 | 167.5 | 162.3 | -98.3 | 0 | 113.3 | L196 E197 D198 G204 | L196-K200 WeakPolarHBondContact O-CB 3.48Å; L196-K200 PolarHBondContact O-N 3.23Å; E197-K200 IonicContact OE1-NZ 3.48Å; E197-K200 PolarHBondContact OE1-NZ 3.5Å; E197-K200 IonicContact OE2-NZ 2.62Å; E197-K200 PolarHBondContact OE2-NZ 3.06Å; D198-K200 PolarHBondContact O-N 3.01Å; K200-G204 PolarHBondContact O-N 3.2Å |
| 201 | R | 96.1 | Very high | 95.7 | Very high | 129 Ų | 129 | 98 Ų | 98 | 49% | 0.487 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.1 | -48.7 | 170.5 | -71.6 | -175.4 | -153.7 | 94.9 | 9.9 | 111.5 | E197 D198 H203 G204 E205 | E197-R201 WeakPolarHBondContact O-CG 3.25Å; E197-R201 PolarHBondContact O-N 2.91Å; D198-R201 WeakPolarHBondContact O-CB 3.36Å; D198-R201 PolarHBondContact O-N 2.85Å; D198-R201 IonicContact OD1-NH1 3.17Å; D198-R201 PolarHBondContact OD1-NH1 2.92Å; R201-H203 VanDerWaalsContact C-N 3.29Å; R201-H203 PolarHBondContact O-N 3.48Å; R201-G204 CarbonylContact O-C 3.6Å; R201-G204 WeakPolarHBondContact O-CA 3.44Å; R201-G204 PolarHBondContact O-N 3.47Å; R201-G204 VanDerWaalsContact O-N 3.08Å; R201-E205 WeakPolarHBondContact O-CG 3.38Å; R201-E205 PolarHBondContact O-N 2.96Å |
| 202 | N | 95.4 | Very high | 95.7 | Very high | 89 Ų | 89 | 97.5 Ų | 97.5 | 48% | 0.476 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.8 | -37.1 | -178.9 | -68.2 | -43.4 | 0 | 0 | 0 | 111.8 | D198 E199 E205 F206 | D198-N202 WeakPolarHBondContact O-CB 3.41Å; D198-N202 VanDerWaalsContact O-CG 3.3Å; D198-N202 PolarHBondContact O-N 2.9Å; D198-N202 PolarHBondContact O-ND2 3.47Å; D198-N202 PolarHBondContact OD2-ND2 2.79Å; E199-N202 PolarHBondContact O-N 2.88Å; N202-E205 WeakPolarHBondContact O-CB 3.25Å; N202-F206 WeakPolarHBondContact O-CB 3.48Å; N202-F206 PolarHBondContact O-N 2.83Å |
| 203 | H | 96 | Very high | 95.8 | Very high | 118 Ų | 118 | 102 Ų | 102 | 55% | 0.546 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.6 | -42.1 | 171.4 | -176.2 | 60.4 | 0 | 0 | 0 | 112.2 | E199 R201 E205 F206 M207 | E199-H203 VanDerWaalsContact O-CB 3.31Å; E199-H203 WeakPolarHBondContact O-CB 3.47Å; E199-H203 PolarHBondContact O-N 2.88Å; R201-H203 VanDerWaalsContact C-N 3.29Å; R201-H203 PolarHBondContact O-N 3.48Å; H203-E205 VanDerWaalsContact C-N 3.32Å; H203-E205 PolarHBondContact O-N 3.5Å; H203-F206 PolarHBondContact O-N 3.46Å; H203-M207 WeakPolarHBondContact O-CB 3.44Å; H203-M207 WeakPolarHBondContact O-CG 3.39Å; H203-M207 PolarHBondContact O-N 2.78Å |
| 204 | G | 95.4 | Very high | 95.8 | Very high | 35 Ų | 35 | 101.2 Ų | 101.2 | 36% | 0.361 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.5 | -35.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | K200 R201 R208 | K200-G204 PolarHBondContact O-N 3.2Å; R201-G204 CarbonylContact O-C 3.6Å; R201-G204 WeakPolarHBondContact O-CA 3.44Å; R201-G204 PolarHBondContact O-N 3.47Å; R201-G204 VanDerWaalsContact O-N 3.08Å; G204-R208 WeakPolarHBondContact O-CB 3.46Å; G204-R208 PolarHBondContact O-N 3.32Å; G204-R208 VanDerWaalsContact O-N 3.09Å |
| 205 | E | 94.8 | Very high | 95.8 | Very high | 70 Ų | 70 | 97.3 Ų | 97.3 | 33% | 0.327 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 169.9 | -73.9 | -97.5 | 125.1 | 0 | 0 | 112.3 | R201 N202 H203 R208 K209 | R201-E205 WeakPolarHBondContact O-CG 3.38Å; R201-E205 PolarHBondContact O-N 2.96Å; N202-E205 WeakPolarHBondContact O-CB 3.25Å; H203-E205 VanDerWaalsContact C-N 3.32Å; H203-E205 PolarHBondContact O-N 3.5Å; E205-R208 PolarHBondContact O-N 2.99Å; E205-R208 IonicContact OE1-CZ 2.71Å; E205-R208 IonicContact OE1-NH1 2.68Å; E205-R208 PolarHBondContact OE1-NH1 3.44Å; E205-R208 IonicContact OE1-NH2 2.81Å; E205-R208 PolarHBondContact OE1-NH2 3.06Å; E205-K209 WeakPolarHBondContact O-CD 3.47Å; E205-K209 WeakPolarHBondContact O-CG 3.26Å; E205-K209 PolarHBondContact O-N 2.9Å; E205-K209 VanDerWaalsContact O-N 3.07Å; E205-K209 IonicContact OE2-NZ 2.73Å; E205-K209 PolarHBondContact OE2-NZ 3.32Å |
| 206 | F | 96.5 | Very high | 95.9 | Very high | 136 Ų | 136 | 95.2 Ų | 95.2 | 60% | 0.596 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -65.5 | -44 | 178.3 | 179.1 | -90.7 | 0 | 0 | 0 | 111.6 | N202 H203 K209 S210 | N202-F206 WeakPolarHBondContact O-CB 3.48Å; N202-F206 PolarHBondContact O-N 2.83Å; H203-F206 PolarHBondContact O-N 3.46Å; F206-K209 PolarHBondContact O-N 2.85Å; F206-S210 WeakPolarHBondContact O-CB 3.44Å; F206-S210 PolarHBondContact O-N 3.34Å |
| 207 | M | 94.9 | Very high | 95.9 | Very high | 76 Ų | 76 | 96.5 Ų | 96.5 | 37% | 0.374 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.1 | -48.4 | 174.7 | -73.9 | -55.1 | -54.6 | 0 | 0 | 111 | H203 K209 S210 D211 | H203-M207 WeakPolarHBondContact O-CB 3.44Å; H203-M207 WeakPolarHBondContact O-CG 3.39Å; H203-M207 PolarHBondContact O-N 2.78Å; M207-K209 VanDerWaalsContact C-N 3.33Å; M207-K209 PolarHBondContact O-N 3.38Å; M207-S210 CarbonylContact O-C 3.6Å; M207-S210 WeakPolarHBondContact O-CA 3.43Å; M207-S210 WeakPolarHBondContact O-CB 3.42Å; M207-S210 PolarHBondContact O-N 3.18Å; M207-D211 PolarHBondContact O-N 2.97Å |
| 208 | R | 96.2 | Very high | 95.9 | Very high | 120 Ų | 120 | 97.2 Ų | 97.2 | 45% | 0.453 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -55.3 | -45.9 | 176.3 | -162.3 | -163.2 | -48.9 | 131.3 | 9.9 | 112.4 | G204 E205 D211 E212 | G204-R208 WeakPolarHBondContact O-CB 3.46Å; G204-R208 PolarHBondContact O-N 3.32Å; G204-R208 VanDerWaalsContact O-N 3.09Å; E205-R208 PolarHBondContact O-N 2.99Å; E205-R208 IonicContact OE1-CZ 2.71Å; E205-R208 IonicContact OE1-NH1 2.68Å; E205-R208 PolarHBondContact OE1-NH1 3.44Å; E205-R208 IonicContact OE1-NH2 2.81Å; E205-R208 PolarHBondContact OE1-NH2 3.06Å; R208-D211 PolarHBondContact O-N 2.89Å; R208-E212 WeakPolarHBondContact CG-OE1 3.35Å; R208-E212 VanDerWaalsContact O-CG 3.26Å; R208-E212 WeakPolarHBondContact O-CG 3.34Å; R208-E212 PolarHBondContact O-N 2.66Å |
| 209 | K | 96.5 | Very high | 96 | Very high | 90 Ų | 90 | 100 Ų | 100 | 39% | 0.391 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66 | -36.5 | 176.2 | -69.9 | 161.7 | -167.9 | 158.1 | 0 | 112 | E205 F206 M207 E212 F213 | E205-K209 WeakPolarHBondContact O-CD 3.47Å; E205-K209 WeakPolarHBondContact O-CG 3.26Å; E205-K209 PolarHBondContact O-N 2.9Å; E205-K209 VanDerWaalsContact O-N 3.07Å; E205-K209 IonicContact OE2-NZ 2.73Å; E205-K209 PolarHBondContact OE2-NZ 3.32Å; F206-K209 PolarHBondContact O-N 2.85Å; M207-K209 VanDerWaalsContact C-N 3.33Å; M207-K209 PolarHBondContact O-N 3.38Å; K209-E212 PolarHBondContact O-N 3.35Å; K209-F213 WeakPolarHBondContact O-CD2 3.39Å; K209-F213 PolarHBondContact O-N 2.88Å |
| 210 | S | 94.8 | Very high | 96 | Very high | 46 Ų | 46 | 98.8 Ų | 98.8 | 32% | 0.322 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.9 | -38.1 | 173.8 | -171.2 | 0 | 0 | 0 | 0 | 112.1 | F206 M207 T214 | F206-S210 WeakPolarHBondContact O-CB 3.44Å; F206-S210 PolarHBondContact O-N 3.34Å; M207-S210 CarbonylContact O-C 3.6Å; M207-S210 WeakPolarHBondContact O-CA 3.43Å; M207-S210 WeakPolarHBondContact O-CB 3.42Å; M207-S210 PolarHBondContact O-N 3.18Å; S210-T214 WeakPolarHBondContact O-CB 3.33Å; S210-T214 PolarHBondContact O-N 3.04Å; S210-T214 PolarHBondContact O-OG1 3.5Å |
| 211 | D | 96.4 | Very high | 96.1 | Very high | 81 Ų | 81 | 100.4 Ų | 100.4 | 43% | 0.433 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.1 | -42.8 | 175.4 | -61.7 | -27.9 | 0 | 0 | 0 | 110.4 | M207 R208 F213 T214 N215 | M207-D211 PolarHBondContact O-N 2.97Å; R208-D211 PolarHBondContact O-N 2.89Å; D211-F213 PolarHBondContact O-N 3.37Å; D211-T214 PolarHBondContact O-N 3.02Å; D211-T214 VanDerWaalsContact O-N 3.14Å; D211-N215 WeakPolarHBondContact O-CB 3.46Å; D211-N215 PolarHBondContact O-N 2.86Å; D211-N215 PolarHBondContact O-ND2 2.86Å |
| 212 | E | 96.9 | Very high | 96.1 | Very high | 108 Ų | 108 | 100.2 Ų | 100.2 | 51% | 0.505 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -55.6 | -48.3 | 172.1 | -72.4 | 159.5 | -158 | 0 | 0 | 112 | R208 K209 T214 N215 L216 | R208-E212 WeakPolarHBondContact CG-OE1 3.35Å; R208-E212 VanDerWaalsContact O-CG 3.26Å; R208-E212 WeakPolarHBondContact O-CG 3.34Å; R208-E212 PolarHBondContact O-N 2.66Å; K209-E212 PolarHBondContact O-N 3.35Å; E212-T214 PolarHBondContact O-N 3.03Å; E212-N215 PolarHBondContact O-N 2.71Å; E212-L216 PolarHBondContact O-N 2.81Å; E212-L216 VanDerWaalsContact O-N 3.12Å |
| 213 | F | 96.4 | Very high | 96.2 | Very high | 141 Ų | 141 | 103.8 Ų | 103.8 | 62% | 0.618 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.6 | -35.1 | 174.5 | -73.2 | -57 | 0 | 0 | 0 | 113.1 | K209 D211 L217 | K209-F213 WeakPolarHBondContact O-CD2 3.39Å; K209-F213 PolarHBondContact O-N 2.88Å; D211-F213 PolarHBondContact O-N 3.37Å; F213-L217 WeakPolarHBondContact O-CG 3.32Å; F213-L217 PolarHBondContact O-N 3.05Å; F213-L217 VanDerWaalsContact O-N 3.12Å |
| 214 | T | 96.9 | Very high | 96.3 | Very high | 72 Ų | 72 | 102.9 Ų | 102.9 | 44% | 0.442 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.5 | -42.4 | 178.1 | -59.2 | 0 | 0 | 0 | 0 | 110.9 | S210 D211 E212 L217 E218 | S210-T214 WeakPolarHBondContact O-CB 3.33Å; S210-T214 PolarHBondContact O-N 3.04Å; S210-T214 PolarHBondContact O-OG1 3.5Å; D211-T214 PolarHBondContact O-N 3.02Å; D211-T214 VanDerWaalsContact O-N 3.14Å; E212-T214 PolarHBondContact O-N 3.03Å; T214-L217 PolarHBondContact O-N 3.4Å; T214-E218 PolarHBondContact O-N 2.91Å |
| 215 | N | 96.2 | Very high | 96.4 | Very high | 97 Ų | 97 | 107.1 Ų | 107.1 | 52% | 0.519 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 175.6 | -66.4 | -26 | 0 | 0 | 0 | 111.4 | D211 E212 L217 E218 E219 | D211-N215 WeakPolarHBondContact O-CB 3.46Å; D211-N215 PolarHBondContact O-N 2.86Å; D211-N215 PolarHBondContact O-ND2 2.86Å; E212-N215 PolarHBondContact O-N 2.71Å; N215-L217 VanDerWaalsContact C-N 3.29Å; N215-L217 PolarHBondContact O-N 3.27Å; N215-E218 WeakPolarHBondContact O-CB 3.49Å; N215-E218 PolarHBondContact O-N 3.34Å; N215-E218 VanDerWaalsContact O-N 3.08Å; N215-E219 WeakPolarHBondContact O-CG 3.43Å; N215-E219 PolarHBondContact O-N 2.99Å |
| 216 | L | 97.8 | Very high | 96.5 | Very high | 94 Ų | 94 | 108.7 Ų | 108.7 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.9 | -35.5 | 177.4 | -176.9 | 63.1 | 0 | 0 | 0 | 112.8 | E212 E220 | E212-L216 PolarHBondContact O-N 2.81Å; E212-L216 VanDerWaalsContact O-N 3.12Å; L216-E220 PolarHBondContact O-N 3.36Å |
| 217 | L | 95.7 | Very high | 96.5 | Very high | 129 Ų | 129 | 107.3 Ų | 107.3 | 68% | 0.675 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -72.4 | -30.8 | 174.1 | -71.6 | 170.8 | 0 | 0 | 0 | 112.8 | F213 T214 N215 R221 | F213-L217 WeakPolarHBondContact O-CG 3.32Å; F213-L217 PolarHBondContact O-N 3.05Å; F213-L217 VanDerWaalsContact O-N 3.12Å; T214-L217 PolarHBondContact O-N 3.4Å; N215-L217 VanDerWaalsContact C-N 3.29Å; N215-L217 PolarHBondContact O-N 3.27Å; L217-R221 WeakPolarHBondContact O-CB 3.48Å; L217-R221 PolarHBondContact O-N 3.1Å; L217-R221 VanDerWaalsContact O-N 3.1Å |
| 218 | E | 96.1 | Very high | 96.6 | Very high | 89 Ų | 89 | 107.6 Ų | 107.6 | 42% | 0.416 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.6 | -43.8 | 171.3 | -161.4 | 84.3 | -95.4 | 0 | 0 | 110.4 | T214 N215 R221 E222 | T214-E218 PolarHBondContact O-N 2.91Å; N215-E218 WeakPolarHBondContact O-CB 3.49Å; N215-E218 PolarHBondContact O-N 3.34Å; N215-E218 VanDerWaalsContact O-N 3.08Å; E218-R221 CarbonylContact O-C 3.57Å; E218-R221 WeakPolarHBondContact O-CB 3.43Å; E218-R221 PolarHBondContact O-N 3.06Å; E218-R221 IonicContact OE1-CZ 3.01Å; E218-R221 IonicContact OE1-NE 2.66Å; E218-R221 IonicContact OE1-NH1 2.83Å; E218-R221 PolarHBondContact OE1-NH1 3.44Å; E218-E222 WeakPolarHBondContact O-CG 3.48Å; E218-E222 PolarHBondContact O-N 3.12Å |
| 219 | E | 96.9 | Very high | 96.7 | Very high | 130 Ų | 130 | 104.6 Ų | 104.6 | 61% | 0.607 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.4 | -50.4 | 175.8 | -74.6 | 179.5 | -173.9 | 0 | 0 | 112.4 | N215 R221 E222 R223 | N215-E219 WeakPolarHBondContact O-CG 3.43Å; N215-E219 PolarHBondContact O-N 2.99Å; E219-R221 VanDerWaalsContact C-N 3.27Å; E219-R221 PolarHBondContact O-N 3.48Å; E219-E222 PolarHBondContact O-N 2.93Å; E219-R223 WeakPolarHBondContact O-CB 3.3Å; E219-R223 PolarHBondContact O-N 3.14Å |
| 220 | E | 95.6 | Very high | 96.7 | Very high | 99 Ų | 99 | 105.7 Ų | 105.7 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67 | -29 | 176.5 | -82.1 | -65.1 | 132 | 0 | 0 | 112.3 | L216 R223 L224 | L216-E220 PolarHBondContact O-N 3.36Å; E220-R223 WeakPolarHBondContact OE1-CD 3.48Å; E220-R223 IonicContact OE1-NE 3.18Å; E220-R223 IonicContact OE1-NH1 2.67Å; E220-R223 WeakPolarHBondContact OE2-CD 3.5Å; E220-L224 WeakPolarHBondContact O-CB 3.44Å; E220-L224 PolarHBondContact O-N 2.78Å |
| 221 | R | 95.9 | Very high | 96.7 | Very high | 160 Ų | 160 | 108.7 Ų | 108.7 | 60% | 0.604 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.3 | -41.8 | 171 | 172.2 | -178.1 | 174.3 | -99.8 | -10.8 | 111.9 | L217 E218 E219 K225 | L217-R221 WeakPolarHBondContact O-CB 3.48Å; L217-R221 PolarHBondContact O-N 3.1Å; L217-R221 VanDerWaalsContact O-N 3.1Å; E218-R221 CarbonylContact O-C 3.57Å; E218-R221 WeakPolarHBondContact O-CB 3.43Å; E218-R221 PolarHBondContact O-N 3.06Å; E218-R221 IonicContact OE1-CZ 3.01Å; E218-R221 IonicContact OE1-NE 2.66Å; E218-R221 IonicContact OE1-NH1 2.83Å; E218-R221 PolarHBondContact OE1-NH1 3.44Å; E219-R221 VanDerWaalsContact C-N 3.27Å; E219-R221 PolarHBondContact O-N 3.48Å; R221-K225 VanDerWaalsContact O-CB 3.3Å; R221-K225 WeakPolarHBondContact O-CB 3.39Å; R221-K225 PolarHBondContact O-N 3.05Å |
| 222 | E | 96.6 | Very high | 96.7 | Very high | 125 Ų | 125 | 109.7 Ų | 109.7 | 58% | 0.584 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70.2 | -40.1 | 175.9 | -67.6 | -149.9 | 139.9 | 0 | 0 | 111.9 | E218 E219 K225 L226 | E218-E222 WeakPolarHBondContact O-CG 3.48Å; E218-E222 PolarHBondContact O-N 3.12Å; E219-E222 PolarHBondContact O-N 2.93Å; E222-K225 WeakPolarHBondContact O-CB 3.46Å; E222-K225 PolarHBondContact O-N 3.31Å; E222-L226 WeakPolarHBondContact O-CB 3.49Å; E222-L226 PolarHBondContact O-N 3.22Å |
| 223 | R | 97.9 | Very high | 96.7 | Very high | 164 Ų | 164 | 108.2 Ų | 108.2 | 62% | 0.619 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -56.7 | -50.8 | 171 | -177.8 | -161.4 | 179.8 | 109.9 | 8 | 111.7 | E219 E220 K225 L226 L227 | E219-R223 WeakPolarHBondContact O-CB 3.3Å; E219-R223 PolarHBondContact O-N 3.14Å; E220-R223 WeakPolarHBondContact OE1-CD 3.48Å; E220-R223 IonicContact OE1-NE 3.18Å; E220-R223 IonicContact OE1-NH1 2.67Å; E220-R223 WeakPolarHBondContact OE2-CD 3.5Å; R223-K225 VanDerWaalsContact C-N 3.34Å; R223-L226 PolarHBondContact O-N 2.75Å; R223-L227 PolarHBondContact O-N 3.08Å |
| 224 | L | 97.4 | Very high | 96.7 | Very high | 99 Ų | 99 | 107.4 Ų | 107.4 | 52% | 0.518 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.6 | -38.2 | 179.7 | -179.4 | 59.8 | 0 | 0 | 0 | 111.4 | E220 L227 I228 | E220-L224 WeakPolarHBondContact O-CB 3.44Å; E220-L224 PolarHBondContact O-N 2.78Å; L224-L227 PolarHBondContact O-N 3.31Å; L224-I228 HydrophobicContact CD1-CD1 4.21Å; L224-I228 HydrophobicContact CD1-CG1 4.39Å; L224-I228 HydrophobicContact CG-CD1 3.96Å; L224-I228 WeakPolarHBondContact O-CB 3.32Å; L224-I228 VanDerWaalsContact O-CG1 3.27Å; L224-I228 WeakPolarHBondContact O-CG1 3.34Å; L224-I228 PolarHBondContact O-N 3.43Å |
| 225 | K | 97.5 | Very high | 96.6 | Very high | 123 Ų | 123 | 107 Ų | 107 | 54% | 0.535 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.9 | -47.6 | 172.4 | -178.3 | -164.5 | 167.8 | -159 | 0 | 111.2 | R221 E222 R223 L227 I228 D229 | R221-K225 VanDerWaalsContact O-CB 3.3Å; R221-K225 WeakPolarHBondContact O-CB 3.39Å; R221-K225 PolarHBondContact O-N 3.05Å; E222-K225 WeakPolarHBondContact O-CB 3.46Å; E222-K225 PolarHBondContact O-N 3.31Å; R223-K225 VanDerWaalsContact C-N 3.34Å; K225-L227 VanDerWaalsContact C-N 3.32Å; K225-L227 PolarHBondContact O-N 3.34Å; K225-I228 PolarHBondContact O-N 3.46Å; K225-D229 WeakPolarHBondContact O-CB 3.39Å; K225-D229 VanDerWaalsContact O-CG 3.32Å; K225-D229 PolarHBondContact O-N 3.33Å |
| 226 | L | 97.6 | Very high | 96.6 | Very high | 104 Ų | 104 | 107.7 Ų | 107.7 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 177.7 | -179.5 | 63 | 0 | 0 | 0 | 111.7 | E222 R223 D229 Q230 | E222-L226 WeakPolarHBondContact O-CB 3.49Å; E222-L226 PolarHBondContact O-N 3.22Å; R223-L226 PolarHBondContact O-N 2.75Å; L226-D229 PolarHBondContact O-N 3.46Å; L226-Q230 VanDerWaalsContact O-CG 3.31Å; L226-Q230 WeakPolarHBondContact O-CG 3.36Å; L226-Q230 PolarHBondContact O-N 3.38Å |
| 227 | L | 97.1 | Very high | 96.6 | Very high | 107 Ų | 107 | 110.3 Ų | 110.3 | 56% | 0.56 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.9 | -41.1 | 176.2 | -169.1 | 69.2 | 0 | 0 | 0 | 112 | R223 L224 K225 Q230 E231 | R223-L227 PolarHBondContact O-N 3.08Å; L224-L227 PolarHBondContact O-N 3.31Å; K225-L227 VanDerWaalsContact C-N 3.32Å; K225-L227 PolarHBondContact O-N 3.34Å; L227-Q230 PolarHBondContact O-N 3.23Å; L227-E231 PolarHBondContact O-N 3.15Å |
| 228 | I | 96.8 | Very high | 96.6 | Very high | 82 Ų | 82 | 108.3 Ų | 108.3 | 42% | 0.421 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 173.6 | -74.6 | 166.9 | 0 | 0 | 0 | 111.1 | L224 K225 E231 K232 | L224-I228 HydrophobicContact CD1-CD1 4.21Å; L224-I228 HydrophobicContact CD1-CG1 4.39Å; L224-I228 HydrophobicContact CG-CD1 3.96Å; L224-I228 WeakPolarHBondContact O-CB 3.32Å; L224-I228 VanDerWaalsContact O-CG1 3.27Å; L224-I228 WeakPolarHBondContact O-CG1 3.34Å; L224-I228 PolarHBondContact O-N 3.43Å; K225-I228 PolarHBondContact O-N 3.46Å; I228-E231 PolarHBondContact O-N 3.02Å; I228-K232 WeakPolarHBondContact O-CG 3.38Å; I228-K232 PolarHBondContact O-N 3.41Å |
| 229 | D | 96.8 | Very high | 96.5 | Very high | 57 Ų | 57 | 107.2 Ų | 107.2 | 31% | 0.305 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.6 | -31.4 | 179.3 | -68.3 | -22.8 | 0 | 0 | 0 | 111.7 | K225 L226 K232 V233 | K225-D229 WeakPolarHBondContact O-CB 3.39Å; K225-D229 VanDerWaalsContact O-CG 3.32Å; K225-D229 PolarHBondContact O-N 3.33Å; L226-D229 PolarHBondContact O-N 3.46Å; D229-K232 IonicContact OD1-NZ 2.66Å; D229-K232 PolarHBondContact OD1-NZ 2.83Å; D229-V233 WeakPolarHBondContact O-CG2 3.26Å; D229-V233 PolarHBondContact O-N 2.61Å |
| 230 | Q | 97.1 | Very high | 96.5 | Very high | 112 Ų | 112 | 106 Ų | 106 | 52% | 0.523 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.2 | -45.2 | 168.3 | -74.2 | 174.4 | 11.3 | 0 | 0 | 112.5 | L226 L227 K232 V233 Y234 | L226-Q230 VanDerWaalsContact O-CG 3.31Å; L226-Q230 WeakPolarHBondContact O-CG 3.36Å; L226-Q230 PolarHBondContact O-N 3.38Å; L227-Q230 PolarHBondContact O-N 3.23Å; Q230-K232 PolarHBondContact O-N 2.89Å; Q230-V233 PolarHBondContact O-N 2.65Å; Q230-Y234 PolarHBondContact O-N 3.34Å |
| 231 | E | 94.9 | Very high | 96.6 | Very high | 109 Ų | 109 | 106.2 Ų | 106.2 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.5 | -38.3 | 178.3 | -176 | 59.4 | -155.1 | 0 | 0 | 111.6 | L227 I228 Y234 Q235 | L227-E231 PolarHBondContact O-N 3.15Å; I228-E231 PolarHBondContact O-N 3.02Å; E231-Y234 PolarHBondContact O-N 2.71Å; E231-Q235 WeakPolarHBondContact O-CB 3.45Å; E231-Q235 PolarHBondContact O-N 2.88Å |
| 232 | K | 97.4 | Very high | 96.5 | Very high | 103 Ų | 103 | 101.4 Ų | 101.4 | 45% | 0.448 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -56.8 | -51.6 | 170.4 | -72.9 | 170.4 | -165 | 158.9 | 0 | 111.6 | I228 D229 Q230 Y234 Q235 E236 | I228-K232 WeakPolarHBondContact O-CG 3.38Å; I228-K232 PolarHBondContact O-N 3.41Å; D229-K232 IonicContact OD1-NZ 2.66Å; D229-K232 PolarHBondContact OD1-NZ 2.83Å; Q230-K232 PolarHBondContact O-N 2.89Å; K232-Y234 VanDerWaalsContact C-N 3.26Å; K232-Y234 PolarHBondContact O-N 3.48Å; K232-Q235 PolarHBondContact O-N 2.8Å; K232-E236 WeakPolarHBondContact O-CB 3.18Å; K232-E236 WeakPolarHBondContact O-CG 3.42Å; K232-E236 PolarHBondContact O-N 3.18Å |
| 233 | V | 96.6 | Very high | 96.5 | Very high | 77 Ų | 77 | 99.6 Ų | 99.6 | 47% | 0.467 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.4 | -32.9 | -179.5 | 169.8 | 0 | 0 | 0 | 0 | 111.9 | D229 Q230 R237 | D229-V233 WeakPolarHBondContact O-CG2 3.26Å; D229-V233 PolarHBondContact O-N 2.61Å; Q230-V233 PolarHBondContact O-N 2.65Å; V233-R237 WeakPolarHBondContact O-CB 3.5Å; V233-R237 PolarHBondContact O-N 3.46Å; V233-R237 VanDerWaalsContact O-N 3.14Å |
| 234 | Y | 95.8 | Very high | 96.5 | Very high | 123 Ų | 123 | 98 Ų | 98 | 48% | 0.482 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.8 | -48 | 172.6 | 174.2 | -114.1 | 0 | 0 | 0 | 112.3 | Q230 E231 K232 R237 K238 | Q230-Y234 PolarHBondContact O-N 3.34Å; E231-Y234 PolarHBondContact O-N 2.71Å; K232-Y234 VanDerWaalsContact C-N 3.26Å; K232-Y234 PolarHBondContact O-N 3.48Å; Y234-R237 WeakPolarHBondContact O-CB 3.3Å; Y234-R237 PolarHBondContact O-N 2.93Å; Y234-K238 WeakPolarHBondContact O-CB 3.45Å; Y234-K238 PolarHBondContact O-N 2.81Å |
| 235 | Q | 95 | Very high | 96.5 | Very high | 63 Ų | 63 | 98 Ų | 98 | 29% | 0.294 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 179.5 | -178.6 | 55.2 | 36.7 | 0 | 0 | 111.8 | E231 K232 R237 K238 D239 | E231-Q235 WeakPolarHBondContact O-CB 3.45Å; E231-Q235 PolarHBondContact O-N 2.88Å; K232-Q235 PolarHBondContact O-N 2.8Å; Q235-R237 PolarHBondContact O-N 3.43Å; Q235-K238 PolarHBondContact O-N 2.82Å; Q235-D239 PolarHBondContact NE2-OD1 3.23Å; Q235-D239 PolarHBondContact NE2-OD2 3.39Å; Q235-D239 WeakPolarHBondContact O-CB 3.32Å; Q235-D239 PolarHBondContact O-N 3.4Å |
| 236 | E | 95.9 | Very high | 96.5 | Very high | 112 Ų | 112 | 95.8 Ų | 95.8 | 52% | 0.523 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 171.5 | -76.5 | 175.2 | -159.7 | 0 | 0 | 112 | K232 D239 Q240 | K232-E236 WeakPolarHBondContact O-CB 3.18Å; K232-E236 WeakPolarHBondContact O-CG 3.42Å; K232-E236 PolarHBondContact O-N 3.18Å; E236-D239 PolarHBondContact O-N 3.18Å; E236-Q240 WeakPolarHBondContact O-CB 3.41Å; E236-Q240 VanDerWaalsContact O-CG 3.25Å; E236-Q240 WeakPolarHBondContact O-CG 3.34Å; E236-Q240 PolarHBondContact O-N 2.81Å |
| 237 | R | 97 | Very high | 96.5 | Very high | 150 Ų | 150 | 95.9 Ų | 95.9 | 57% | 0.566 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.8 | -43.2 | 175.9 | -175.6 | -172.6 | -57.6 | 148.8 | 6.4 | 111.6 | V233 Y234 Q235 Q240 E241 | V233-R237 WeakPolarHBondContact O-CB 3.5Å; V233-R237 PolarHBondContact O-N 3.46Å; V233-R237 VanDerWaalsContact O-N 3.14Å; Y234-R237 WeakPolarHBondContact O-CB 3.3Å; Y234-R237 PolarHBondContact O-N 2.93Å; Q235-R237 PolarHBondContact O-N 3.43Å; R237-Q240 PolarHBondContact O-N 3.29Å; R237-E241 PolarHBondContact O-N 2.95Å |
| 238 | K | 96.2 | Very high | 96.5 | Very high | 86 Ų | 86 | 93.1 Ų | 93.1 | 37% | 0.374 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.4 | -39 | 177.3 | 176.3 | 179.3 | 159.9 | -150.6 | 0 | 111.7 | Y234 Q235 E241 N242 | Y234-K238 WeakPolarHBondContact O-CB 3.45Å; Y234-K238 PolarHBondContact O-N 2.81Å; Q235-K238 PolarHBondContact O-N 2.82Å; K238-E241 WeakPolarHBondContact O-CB 3.43Å; K238-E241 PolarHBondContact O-N 3.46Å; K238-N242 WeakPolarHBondContact O-CB 3.38Å; K238-N242 PolarHBondContact O-N 3.4Å; K238-N242 PolarHBondContact O-ND2 3.4Å |
| 239 | D | 94.6 | Very high | 96.5 | Very high | 66 Ų | 66 | 94.2 Ų | 94.2 | 35% | 0.353 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -73.4 | -33.1 | 176.1 | -70 | -22.6 | 0 | 0 | 0 | 112.3 | Q235 E236 E241 N242 N243 | Q235-D239 PolarHBondContact NE2-OD1 3.23Å; Q235-D239 PolarHBondContact NE2-OD2 3.39Å; Q235-D239 WeakPolarHBondContact O-CB 3.32Å; Q235-D239 PolarHBondContact O-N 3.4Å; E236-D239 PolarHBondContact O-N 3.18Å; D239-E241 VanDerWaalsContact C-N 3.35Å; D239-N242 PolarHBondContact O-N 2.87Å; D239-N243 VanDerWaalsContact O-CB 3.3Å; D239-N243 WeakPolarHBondContact O-CB 3.41Å; D239-N243 PolarHBondContact O-N 2.78Å; D239-N243 PolarHBondContact O-ND2 3.25Å |
| 240 | Q | 97.2 | Very high | 96.5 | Very high | 105 Ų | 105 | 97.3 Ų | 97.3 | 49% | 0.491 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 166.6 | -72.6 | 171.2 | 27.6 | 0 | 0 | 112.1 | E236 R237 K244 | E236-Q240 WeakPolarHBondContact O-CB 3.41Å; E236-Q240 VanDerWaalsContact O-CG 3.25Å; E236-Q240 WeakPolarHBondContact O-CG 3.34Å; E236-Q240 PolarHBondContact O-N 2.81Å; R237-Q240 PolarHBondContact O-N 3.29Å; Q240-K244 VanDerWaalsContact O-CG 3.27Å; Q240-K244 WeakPolarHBondContact O-CG 3.25Å; Q240-K244 PolarHBondContact O-N 3.09Å |
| 241 | E | 96.5 | Very high | 96.5 | Very high | 103 Ų | 103 | 96.9 Ų | 96.9 | 48% | 0.481 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.6 | -41.5 | 175.5 | -162 | -165.8 | 142.3 | 0 | 0 | 111.7 | R237 K238 D239 K244 K245 | R237-E241 PolarHBondContact O-N 2.95Å; K238-E241 WeakPolarHBondContact O-CB 3.43Å; K238-E241 PolarHBondContact O-N 3.46Å; D239-E241 VanDerWaalsContact C-N 3.35Å; E241-K244 PolarHBondContact O-N 3.05Å; E241-K245 WeakPolarHBondContact O-CG 3.48Å; E241-K245 PolarHBondContact O-N 3.25Å; E241-K245 WeakPolarHBondContact OE1-CE 3.33Å; E241-K245 IonicContact OE1-NZ 2.67Å; E241-K245 PolarHBondContact OE1-NZ 3.44Å |
| 242 | N | 94.8 | Very high | 96.6 | Very high | 60 Ų | 60 | 97.2 Ų | 97.2 | 32% | 0.321 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 173.7 | -69.1 | -29.9 | 0 | 0 | 0 | 111.6 | K238 D239 K244 K245 I246 | K238-N242 WeakPolarHBondContact O-CB 3.38Å; K238-N242 PolarHBondContact O-N 3.4Å; K238-N242 PolarHBondContact O-ND2 3.4Å; D239-N242 PolarHBondContact O-N 2.87Å; N242-K244 PolarHBondContact O-N 3.38Å; N242-K245 PolarHBondContact O-N 2.8Å; N242-I246 WeakPolarHBondContact O-CB 3.38Å; N242-I246 VanDerWaalsContact O-CG1 3.26Å; N242-I246 WeakPolarHBondContact O-CG1 3.27Å; N242-I246 PolarHBondContact O-N 2.7Å |
| 243 | N | 96.9 | Very high | 96.6 | Very high | 87 Ų | 87 | 96.3 Ų | 96.3 | 47% | 0.465 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 176.5 | -75.2 | -25 | 0 | 0 | 0 | 111.5 | D239 K245 I246 E247 | D239-N243 VanDerWaalsContact O-CB 3.3Å; D239-N243 WeakPolarHBondContact O-CB 3.41Å; D239-N243 PolarHBondContact O-N 2.78Å; D239-N243 PolarHBondContact O-ND2 3.25Å; N243-K245 VanDerWaalsContact C-N 3.34Å; N243-K245 PolarHBondContact O-N 2.87Å; N243-I246 CarbonylContact O-C 3.58Å; N243-I246 WeakPolarHBondContact O-CB 3.3Å; N243-I246 PolarHBondContact O-N 3.31Å; N243-I246 VanDerWaalsContact O-N 3.12Å; N243-E247 WeakPolarHBondContact O-CB 3.4Å; N243-E247 VanDerWaalsContact O-CG 3.3Å; N243-E247 WeakPolarHBondContact O-CG 3.37Å; N243-E247 PolarHBondContact O-N 3.44Å |
| 244 | K | 98 | Very high | 96.6 | Very high | 131 Ų | 131 | 96.7 Ų | 96.7 | 57% | 0.57 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -60 | -40.1 | 174.1 | -73.2 | 166.5 | -176 | 174.1 | 0 | 112.8 | Q240 E241 N242 E247 S248 | Q240-K244 VanDerWaalsContact O-CG 3.27Å; Q240-K244 WeakPolarHBondContact O-CG 3.25Å; Q240-K244 PolarHBondContact O-N 3.09Å; E241-K244 PolarHBondContact O-N 3.05Å; N242-K244 PolarHBondContact O-N 3.38Å; K244-E247 PolarHBondContact O-N 2.68Å; K244-S248 PolarHBondContact O-N 2.88Å; K244-S248 PolarHBondContact O-OG 2.87Å |
| 245 | K | 97.4 | Very high | 96.7 | Very high | 97 Ų | 97 | 96.2 Ų | 96.2 | 42% | 0.422 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67 | -37.9 | 173.7 | -69 | 166.5 | -174 | 167.5 | 0 | 112.1 | E241 N242 N243 E247 S248 L249 | E241-K245 WeakPolarHBondContact O-CG 3.48Å; E241-K245 PolarHBondContact O-N 3.25Å; E241-K245 WeakPolarHBondContact OE1-CE 3.33Å; E241-K245 IonicContact OE1-NZ 2.67Å; E241-K245 PolarHBondContact OE1-NZ 3.44Å; N242-K245 PolarHBondContact O-N 2.8Å; N243-K245 VanDerWaalsContact C-N 3.34Å; N243-K245 PolarHBondContact O-N 2.87Å; K245-E247 VanDerWaalsContact C-N 3.32Å; K245-S248 PolarHBondContact O-OG 3.18Å; K245-S248 VanDerWaalsContact O-OG 3.08Å; K245-L249 VanDerWaalsContact O-CB 3.31Å; K245-L249 WeakPolarHBondContact O-CB 3.5Å; K245-L249 WeakPolarHBondContact O-CD1 3.41Å; K245-L249 WeakPolarHBondContact O-CG 3.39Å; K245-L249 PolarHBondContact O-N 3.32Å |
| 246 | I | 96 | Very high | 96.8 | Very high | 77 Ų | 77 | 98.1 Ų | 98.1 | 40% | 0.395 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.9 | -35 | 174.9 | -71.1 | 163.9 | 0 | 0 | 0 | 110.6 | N242 N243 K250 | N242-I246 WeakPolarHBondContact O-CB 3.38Å; N242-I246 VanDerWaalsContact O-CG1 3.26Å; N242-I246 WeakPolarHBondContact O-CG1 3.27Å; N242-I246 PolarHBondContact O-N 2.7Å; N243-I246 CarbonylContact O-C 3.58Å; N243-I246 WeakPolarHBondContact O-CB 3.3Å; N243-I246 PolarHBondContact O-N 3.31Å; N243-I246 VanDerWaalsContact O-N 3.12Å; I246-K250 HydrophobicContact CG2-CD 4.13Å; I246-K250 VanDerWaalsContact CG2-CE 3.48Å; I246-K250 WeakPolarHBondContact O-CB 3.07Å; I246-K250 WeakPolarHBondContact O-CD 3.43Å; I246-K250 WeakPolarHBondContact O-CG 3.45Å; I246-K250 PolarHBondContact O-N 3.41Å |
| 247 | E | 97.6 | Very high | 96.8 | Very high | 106 Ų | 106 | 98.7 Ų | 98.7 | 50% | 0.495 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.9 | -47.9 | 174.5 | -74.7 | 160.3 | -179.4 | 0 | 0 | 111.6 | N243 K244 K245 L249 K250 E251 | N243-E247 WeakPolarHBondContact O-CB 3.4Å; N243-E247 VanDerWaalsContact O-CG 3.3Å; N243-E247 WeakPolarHBondContact O-CG 3.37Å; N243-E247 PolarHBondContact O-N 3.44Å; K244-E247 PolarHBondContact O-N 2.68Å; K245-E247 VanDerWaalsContact C-N 3.32Å; E247-L249 VanDerWaalsContact C-N 3.34Å; E247-L249 PolarHBondContact O-N 2.85Å; E247-K250 WeakPolarHBondContact O-CB 3.12Å; E247-K250 PolarHBondContact O-N 3.49Å; E247-K250 VanDerWaalsContact O-N 3.13Å; E247-E251 PolarHBondContact O-N 2.89Å |
| 248 | S | 97.3 | Very high | 96.7 | Very high | 50 Ų | 50 | 94.9 Ų | 94.9 | 35% | 0.35 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 175.5 | 68.6 | 0 | 0 | 0 | 0 | 112.1 | K244 K245 K250 E251 E252 | K244-S248 PolarHBondContact O-N 2.88Å; K244-S248 PolarHBondContact O-OG 2.87Å; K245-S248 PolarHBondContact O-OG 3.18Å; K245-S248 VanDerWaalsContact O-OG 3.08Å; S248-K250 PolarHBondContact O-N 3.2Å; S248-E251 WeakPolarHBondContact O-CB 3.46Å; S248-E251 PolarHBondContact O-N 3.07Å; S248-E252 WeakPolarHBondContact O-CG 3.41Å; S248-E252 PolarHBondContact O-N 2.87Å |
| 249 | L | 97.3 | Very high | 96.8 | Very high | 104 Ų | 104 | 96.8 Ų | 96.8 | 55% | 0.545 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.3 | -32.3 | 174.1 | -72.1 | 170.1 | 0 | 0 | 0 | 112.9 | K245 E247 L253 | K245-L249 VanDerWaalsContact O-CB 3.31Å; K245-L249 WeakPolarHBondContact O-CB 3.5Å; K245-L249 WeakPolarHBondContact O-CD1 3.41Å; K245-L249 WeakPolarHBondContact O-CG 3.39Å; K245-L249 PolarHBondContact O-N 3.32Å; E247-L249 VanDerWaalsContact C-N 3.34Å; E247-L249 PolarHBondContact O-N 2.85Å; L249-L253 VanDerWaalsContact O-CB 3.27Å; L249-L253 WeakPolarHBondContact O-CB 3.44Å; L249-L253 PolarHBondContact O-N 3.44Å |
| 250 | K | 96.9 | Very high | 96.9 | Very high | 123 Ų | 123 | 97.4 Ų | 97.4 | 54% | 0.535 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 170.8 | -78.5 | 162.8 | -177 | 168.6 | 0 | 111.2 | I246 E247 S248 L253 T254 | I246-K250 HydrophobicContact CG2-CD 4.13Å; I246-K250 VanDerWaalsContact CG2-CE 3.48Å; I246-K250 WeakPolarHBondContact O-CB 3.07Å; I246-K250 WeakPolarHBondContact O-CD 3.43Å; I246-K250 WeakPolarHBondContact O-CG 3.45Å; I246-K250 PolarHBondContact O-N 3.41Å; E247-K250 WeakPolarHBondContact O-CB 3.12Å; E247-K250 PolarHBondContact O-N 3.49Å; E247-K250 VanDerWaalsContact O-N 3.13Å; S248-K250 PolarHBondContact O-N 3.2Å; K250-L253 PolarHBondContact O-N 3.17Å; K250-T254 WeakPolarHBondContact O-CG2 3.46Å; K250-T254 PolarHBondContact O-N 2.86Å; K250-T254 PolarHBondContact O-OG1 3.43Å |
| 251 | E | 97.2 | Very high | 96.9 | Very high | 103 Ų | 103 | 97.3 Ų | 97.3 | 48% | 0.481 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 174.4 | -72.9 | -172.3 | -158.5 | 0 | 0 | 112.6 | E247 S248 L253 T254 K255 | E247-E251 PolarHBondContact O-N 2.89Å; S248-E251 WeakPolarHBondContact O-CB 3.46Å; S248-E251 PolarHBondContact O-N 3.07Å; E251-L253 VanDerWaalsContact C-N 3.27Å; E251-L253 PolarHBondContact O-N 3.49Å; E251-T254 WeakPolarHBondContact CA-OG1 3.5Å; E251-T254 PolarHBondContact O-N 3.39Å; E251-T254 PolarHBondContact O-OG1 3.22Å; E251-K255 WeakPolarHBondContact O-CB 3.42Å; E251-K255 VanDerWaalsContact O-CD 3.3Å; E251-K255 WeakPolarHBondContact O-CD 3.27Å; E251-K255 WeakPolarHBondContact O-CG 3.5Å; E251-K255 PolarHBondContact O-N 2.95Å; E251-K255 IonicContact OE2-NZ 3.69Å; E251-K255 PolarHBondContact OE2-NZ 2.92Å |
| 252 | E | 97.3 | Very high | 97 | Very high | 115 Ų | 115 | 98.1 Ų | 98.1 | 54% | 0.537 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.5 | -38.1 | 174 | -75 | 172.4 | -166 | 0 | 0 | 110.9 | S248 K255 L256 | S248-E252 WeakPolarHBondContact O-CG 3.41Å; S248-E252 PolarHBondContact O-N 2.87Å; E252-K255 PolarHBondContact O-N 3.33Å; E252-L256 VanDerWaalsContact O-CB 3.25Å; E252-L256 WeakPolarHBondContact O-CB 3.46Å; E252-L256 PolarHBondContact O-N 2.84Å |
| 253 | L | 97.3 | Very high | 97.1 | Very high | 85 Ų | 85 | 97.3 Ų | 97.3 | 45% | 0.445 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.7 | -35.3 | 173.4 | -178 | 61.5 | 0 | 0 | 0 | 113.1 | L249 K250 E251 K257 | L249-L253 VanDerWaalsContact O-CB 3.27Å; L249-L253 WeakPolarHBondContact O-CB 3.44Å; L249-L253 PolarHBondContact O-N 3.44Å; K250-L253 PolarHBondContact O-N 3.17Å; E251-L253 VanDerWaalsContact C-N 3.27Å; E251-L253 PolarHBondContact O-N 3.49Å; L253-K257 HydrophobicContact CD1-CD 4.48Å; L253-K257 HydrophobicContact CG-CD 4.28Å; L253-K257 WeakPolarHBondContact O-CB 3.33Å; L253-K257 WeakPolarHBondContact O-CD 3.45Å; L253-K257 WeakPolarHBondContact O-CG 3.43Å; L253-K257 PolarHBondContact O-N 3.17Å |
| 254 | T | 96.4 | Very high | 97.1 | Very high | 85 Ų | 85 | 96.5 Ų | 96.5 | 52% | 0.521 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -74.2 | -39.2 | 173.9 | 54.8 | 0 | 0 | 0 | 0 | 111.9 | K250 E251 K257 S258 | K250-T254 WeakPolarHBondContact O-CG2 3.46Å; K250-T254 PolarHBondContact O-N 2.86Å; K250-T254 PolarHBondContact O-OG1 3.43Å; E251-T254 WeakPolarHBondContact CA-OG1 3.5Å; E251-T254 PolarHBondContact O-N 3.39Å; E251-T254 PolarHBondContact O-OG1 3.22Å; T254-K257 PolarHBondContact O-N 2.9Å; T254-S258 WeakPolarHBondContact O-CB 3.33Å; T254-S258 PolarHBondContact O-N 2.75Å; T254-S258 PolarHBondContact O-OG 3.4Å |
| 255 | K | 97.9 | Very high | 97 | Very high | 112 Ų | 112 | 94.3 Ų | 94.3 | 49% | 0.487 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.5 | -50.5 | 171.2 | -70.2 | 158.8 | -163.3 | 163.8 | 0 | 110.2 | E251 E252 K257 S258 F259 | E251-K255 WeakPolarHBondContact O-CB 3.42Å; E251-K255 VanDerWaalsContact O-CD 3.3Å; E251-K255 WeakPolarHBondContact O-CD 3.27Å; E251-K255 WeakPolarHBondContact O-CG 3.5Å; E251-K255 PolarHBondContact O-N 2.95Å; E251-K255 IonicContact OE2-NZ 3.69Å; E251-K255 PolarHBondContact OE2-NZ 2.92Å; E252-K255 PolarHBondContact O-N 3.33Å; K255-K257 PolarHBondContact O-N 3.35Å; K255-S258 PolarHBondContact O-N 3.15Å; K255-S258 PolarHBondContact O-OG 3.24Å; K255-F259 PolarHBondContact O-N 2.93Å |
| 256 | L | 96.9 | Very high | 97 | Very high | 103 Ų | 103 | 95.2 Ų | 95.2 | 54% | 0.539 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 176.4 | -177.5 | 60.5 | 0 | 0 | 0 | 112.3 | E252 S258 F259 T260 | E252-L256 VanDerWaalsContact O-CB 3.25Å; E252-L256 WeakPolarHBondContact O-CB 3.46Å; E252-L256 PolarHBondContact O-N 2.84Å; L256-S258 VanDerWaalsContact C-N 3.32Å; L256-S258 PolarHBondContact O-N 2.92Å; L256-F259 PolarHBondContact O-N 2.85Å; L256-T260 PolarHBondContact O-N 3.49Å; L256-T260 PolarHBondContact O-OG1 2.82Å; L256-T260 VanDerWaalsContact O-OG1 3.11Å |
| 257 | K | 96.9 | Very high | 96.9 | Very high | 125 Ų | 125 | 97.1 Ų | 97.1 | 54% | 0.543 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.6 | -39.8 | 174.1 | -78 | 168 | 179.7 | 175.9 | 0 | 112.6 | L253 T254 K255 T260 L261 | L253-K257 HydrophobicContact CD1-CD 4.48Å; L253-K257 HydrophobicContact CG-CD 4.28Å; L253-K257 WeakPolarHBondContact O-CB 3.33Å; L253-K257 WeakPolarHBondContact O-CD 3.45Å; L253-K257 WeakPolarHBondContact O-CG 3.43Å; L253-K257 PolarHBondContact O-N 3.17Å; T254-K257 PolarHBondContact O-N 2.9Å; K255-K257 PolarHBondContact O-N 3.35Å; K257-T260 PolarHBondContact O-N 2.79Å; K257-L261 WeakPolarHBondContact O-CB 3.33Å; K257-L261 PolarHBondContact O-N 3.16Å |
| 258 | S | 95 | Very high | 96.9 | Very high | 70 Ų | 70 | 98.6 Ų | 98.6 | 49% | 0.49 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.7 | -35.3 | 177.3 | 73.5 | 0 | 0 | 0 | 0 | 112.3 | T254 K255 L256 L261 M262 | T254-S258 WeakPolarHBondContact O-CB 3.33Å; T254-S258 PolarHBondContact O-N 2.75Å; T254-S258 PolarHBondContact O-OG 3.4Å; K255-S258 PolarHBondContact O-N 3.15Å; K255-S258 PolarHBondContact O-OG 3.24Å; L256-S258 VanDerWaalsContact C-N 3.32Å; L256-S258 PolarHBondContact O-N 2.92Å; S258-L261 PolarHBondContact O-N 2.88Å; S258-M262 WeakPolarHBondContact O-CB 3.29Å; S258-M262 PolarHBondContact O-N 3.32Å |
| 259 | F | 97.9 | Very high | 96.8 | Very high | 126 Ų | 126 | 101.8 Ų | 101.8 | 55% | 0.553 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67 | -46.1 | 171.6 | -178.9 | -101.9 | 0 | 0 | 0 | 111.8 | K255 L256 L261 M262 V263 | K255-F259 PolarHBondContact O-N 2.93Å; L256-F259 PolarHBondContact O-N 2.85Å; F259-L261 VanDerWaalsContact C-N 3.29Å; F259-L261 PolarHBondContact O-N 2.76Å; F259-M262 PolarHBondContact O-N 2.87Å; F259-V263 HydrophobicContact CD1-CG2 4.3Å; F259-V263 HydrophobicContact CE1-CG2 3.87Å; F259-V263 HydrophobicContact CE2-CG2 4.15Å; F259-V263 HydrophobicContact CZ-CG2 3.79Å; F259-V263 WeakPolarHBondContact O-CG2 3.41Å; F259-V263 PolarHBondContact O-N 2.86Å |
| 260 | T | 96.8 | Very high | 96.8 | Very high | 78 Ų | 78 | 101.2 Ų | 101.2 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.9 | -40.1 | 175 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | L256 K257 V263 V264 | L256-T260 PolarHBondContact O-N 3.49Å; L256-T260 PolarHBondContact O-OG1 2.82Å; L256-T260 VanDerWaalsContact O-OG1 3.11Å; K257-T260 PolarHBondContact O-N 2.79Å; T260-V263 PolarHBondContact O-N 3.27Å; T260-V264 WeakPolarHBondContact O-CG2 3.41Å; T260-V264 PolarHBondContact O-N 3.14Å |
| 261 | L | 97.5 | Very high | 96.8 | Very high | 104 Ų | 104 | 99 Ų | 99 | 55% | 0.545 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64 | -48.5 | 175.4 | -176.9 | 60.6 | 0 | 0 | 0 | 111.3 | K257 S258 F259 V263 V264 D265 | K257-L261 WeakPolarHBondContact O-CB 3.33Å; K257-L261 PolarHBondContact O-N 3.16Å; S258-L261 PolarHBondContact O-N 2.88Å; F259-L261 VanDerWaalsContact C-N 3.29Å; F259-L261 PolarHBondContact O-N 2.76Å; L261-V263 VanDerWaalsContact C-N 3.28Å; L261-V263 PolarHBondContact O-N 3.48Å; L261-V264 CarbonylContact O-C 3.56Å; L261-V264 WeakPolarHBondContact O-CA 3.26Å; L261-V264 WeakPolarHBondContact O-CB 3.46Å; L261-V264 PolarHBondContact O-N 3.04Å; L261-D265 VanDerWaalsContact O-CG 3.28Å; L261-D265 PolarHBondContact O-N 3.46Å |
| 262 | M | 97.4 | Very high | 96.7 | Very high | 120 Ų | 120 | 98.2 Ų | 98.2 | 59% | 0.591 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -57.2 | -39.2 | 176 | -175.1 | -174.5 | -61.9 | 0 | 0 | 112.7 | S258 F259 D265 E266 | S258-M262 WeakPolarHBondContact O-CB 3.29Å; S258-M262 PolarHBondContact O-N 3.32Å; F259-M262 PolarHBondContact O-N 2.87Å; M262-D265 PolarHBondContact O-N 3.4Å; M262-E266 WeakPolarHBondContact O-CB 3.39Å; M262-E266 PolarHBondContact O-N 2.9Å |
| 263 | V | 96.3 | Very high | 96.7 | Very high | 42 Ų | 42 | 96.9 Ų | 96.9 | 26% | 0.255 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70 | -34.4 | 175.3 | 170.8 | 0 | 0 | 0 | 0 | 111.9 | F259 T260 L261 Q267 | F259-V263 HydrophobicContact CD1-CG2 4.3Å; F259-V263 HydrophobicContact CE1-CG2 3.87Å; F259-V263 HydrophobicContact CE2-CG2 4.15Å; F259-V263 HydrophobicContact CZ-CG2 3.79Å; F259-V263 WeakPolarHBondContact O-CG2 3.41Å; F259-V263 PolarHBondContact O-N 2.86Å; T260-V263 PolarHBondContact O-N 3.27Å; L261-V263 VanDerWaalsContact C-N 3.28Å; L261-V263 PolarHBondContact O-N 3.48Å; V263-Q267 WeakPolarHBondContact O-CB 3.4Å; V263-Q267 VanDerWaalsContact O-CG 3.24Å; V263-Q267 WeakPolarHBondContact O-CG 3.41Å; V263-Q267 PolarHBondContact O-N 3.44Å |
| 264 | V | 97.9 | Very high | 96.7 | Very high | 70 Ų | 70 | 98.5 Ų | 98.5 | 42% | 0.424 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.2 | -43.1 | 172.5 | 167.3 | 0 | 0 | 0 | 0 | 110.9 | T260 L261 E266 Q267 Q268 | T260-V264 WeakPolarHBondContact O-CG2 3.41Å; T260-V264 PolarHBondContact O-N 3.14Å; L261-V264 CarbonylContact O-C 3.56Å; L261-V264 WeakPolarHBondContact O-CA 3.26Å; L261-V264 WeakPolarHBondContact O-CB 3.46Å; L261-V264 PolarHBondContact O-N 3.04Å; V264-E266 PolarHBondContact O-N 3.32Å; V264-Q267 PolarHBondContact O-N 3.37Å; V264-Q268 WeakPolarHBondContact O-CB 3.46Å; V264-Q268 PolarHBondContact O-N 2.88Å |
| 265 | D | 96.3 | Very high | 96.7 | Very high | 86 Ų | 86 | 98.2 Ų | 98.2 | 46% | 0.46 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 176 | -64.1 | -27.5 | 0 | 0 | 0 | 111 | L261 M262 Q268 H269 | L261-D265 VanDerWaalsContact O-CG 3.28Å; L261-D265 PolarHBondContact O-N 3.46Å; M262-D265 PolarHBondContact O-N 3.4Å; D265-Q268 PolarHBondContact O-N 3.07Å; D265-H269 VanDerWaalsContact O-CB 3.31Å; D265-H269 WeakPolarHBondContact O-CB 3.4Å; D265-H269 PolarHBondContact O-N 3.05Å |
| 266 | E | 96.5 | Very high | 96.6 | Very high | 115 Ų | 115 | 97.1 Ų | 97.1 | 54% | 0.537 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.4 | -44.3 | 174.6 | -175.6 | 173.2 | -153.2 | 0 | 0 | 111.9 | M262 V264 Q268 H269 L270 | M262-E266 WeakPolarHBondContact O-CB 3.39Å; M262-E266 PolarHBondContact O-N 2.9Å; V264-E266 PolarHBondContact O-N 3.32Å; E266-Q268 VanDerWaalsContact C-N 3.33Å; E266-Q268 PolarHBondContact O-N 2.87Å; E266-H269 PolarHBondContact O-N 2.86Å; E266-L270 HydrophobicContact CG-CD1 4.03Å; E266-L270 HydrophobicContact CG-CG 4.43Å; E266-L270 WeakPolarHBondContact O-CB 3.23Å; E266-L270 VanDerWaalsContact O-CG 3.29Å; E266-L270 WeakPolarHBondContact O-CG 3.41Å; E266-L270 PolarHBondContact O-N 2.97Å |
| 267 | Q | 95.1 | Very high | 96.5 | Very high | 118 Ų | 118 | 99.2 Ų | 99.2 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.6 | -39.3 | 175 | -77.1 | 178.3 | 17.7 | 0 | 0 | 112.1 | V263 V264 T271 | V263-Q267 WeakPolarHBondContact O-CB 3.4Å; V263-Q267 VanDerWaalsContact O-CG 3.24Å; V263-Q267 WeakPolarHBondContact O-CG 3.41Å; V263-Q267 PolarHBondContact O-N 3.44Å; V264-Q267 PolarHBondContact O-N 3.37Å; Q267-T271 VanDerWaalsContact O-CB 3.29Å; Q267-T271 WeakPolarHBondContact O-CB 3.16Å; Q267-T271 PolarHBondContact O-N 3.39Å; Q267-T271 PolarHBondContact O-OG1 2.96Å |
| 268 | Q | 96.3 | Very high | 96.5 | Very high | 137 Ų | 137 | 96.5 Ų | 96.5 | 64% | 0.64 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.9 | -43.8 | 175.4 | -177.9 | 171.6 | -23.6 | 0 | 0 | 111.2 | V264 D265 E266 T271 E272 | V264-Q268 WeakPolarHBondContact O-CB 3.46Å; V264-Q268 PolarHBondContact O-N 2.88Å; D265-Q268 PolarHBondContact O-N 3.07Å; E266-Q268 VanDerWaalsContact C-N 3.33Å; E266-Q268 PolarHBondContact O-N 2.87Å; Q268-T271 PolarHBondContact O-N 2.91Å; Q268-E272 WeakPolarHBondContact O-CB 3.29Å; Q268-E272 PolarHBondContact O-N 3.45Å |
| 269 | H | 95.5 | Very high | 96.6 | Very high | 116 Ų | 116 | 97 Ų | 97 | 54% | 0.537 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 176 | 174.7 | -127.3 | 0 | 0 | 0 | 112.9 | D265 E266 E272 Q273 | D265-H269 VanDerWaalsContact O-CB 3.31Å; D265-H269 WeakPolarHBondContact O-CB 3.4Å; D265-H269 PolarHBondContact O-N 3.05Å; E266-H269 PolarHBondContact O-N 2.86Å; H269-E272 PolarHBondContact O-N 3.48Å; H269-Q273 PolarHBondContact CE1-NE2 3Å; H269-Q273 PolarHBondContact NE2-NE2 3.42Å; H269-Q273 WeakPolarHBondContact O-CG 3.41Å; H269-Q273 PolarHBondContact O-N 3.45Å |
| 270 | L | 96.7 | Very high | 96.6 | Very high | 93 Ų | 93 | 97 Ų | 97 | 49% | 0.487 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.1 | -38.7 | 174.1 | -71.2 | 171.5 | 0 | 0 | 0 | 111.9 | E266 Q273 L274 | E266-L270 HydrophobicContact CG-CD1 4.03Å; E266-L270 HydrophobicContact CG-CG 4.43Å; E266-L270 WeakPolarHBondContact O-CB 3.23Å; E266-L270 VanDerWaalsContact O-CG 3.29Å; E266-L270 WeakPolarHBondContact O-CG 3.41Å; E266-L270 PolarHBondContact O-N 2.97Å; L270-Q273 PolarHBondContact O-N 3.35Å; L270-L274 WeakPolarHBondContact O-CB 3.35Å; L270-L274 PolarHBondContact O-N 2.9Å |
| 271 | T | 97 | Very high | 96.6 | Very high | 75 Ų | 75 | 97.8 Ų | 97.8 | 46% | 0.46 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 174.5 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | Q267 Q268 L274 N275 | Q267-T271 VanDerWaalsContact O-CB 3.29Å; Q267-T271 WeakPolarHBondContact O-CB 3.16Å; Q267-T271 PolarHBondContact O-N 3.39Å; Q267-T271 PolarHBondContact O-OG1 2.96Å; Q268-T271 PolarHBondContact O-N 2.91Å; T271-L274 CarbonylContact O-C 3.57Å; T271-L274 WeakPolarHBondContact O-CB 3.48Å; T271-L274 PolarHBondContact O-N 2.86Å; T271-N275 PolarHBondContact O-N 3.25Å; T271-N275 PolarHBondContact O-ND2 3.45Å |
| 272 | E | 96.5 | Very high | 96.5 | Very high | 88 Ų | 88 | 98.8 Ų | 98.8 | 41% | 0.411 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.2 | -40.5 | 177.7 | 179.8 | 48.4 | -149.9 | 0 | 0 | 112.2 | Q268 H269 L274 N275 Q276 | Q268-E272 WeakPolarHBondContact O-CB 3.29Å; Q268-E272 PolarHBondContact O-N 3.45Å; H269-E272 PolarHBondContact O-N 3.48Å; E272-L274 VanDerWaalsContact C-N 3.3Å; E272-L274 PolarHBondContact O-N 2.91Å; E272-N275 WeakPolarHBondContact O-CB 3.37Å; E272-N275 PolarHBondContact O-N 3.02Å; E272-N275 PolarHBondContact OE2-ND2 2.88Å; E272-Q276 WeakPolarHBondContact O-CG 3.42Å; E272-Q276 PolarHBondContact O-N 3.39Å; E272-Q276 WeakPolarHBondContact OE1-CG 3.17Å; E272-Q276 PolarHBondContact OE1-NE2 3.27Å |
| 273 | Q | 97.1 | Very high | 96.4 | Very high | 86 Ų | 86 | 97.6 Ų | 97.6 | 40% | 0.402 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60 | -39.4 | 169.2 | -76.7 | -176.1 | 70.9 | 0 | 0 | 112.4 | H269 L270 Q276 K277 | H269-Q273 PolarHBondContact CE1-NE2 3Å; H269-Q273 PolarHBondContact NE2-NE2 3.42Å; H269-Q273 WeakPolarHBondContact O-CG 3.41Å; H269-Q273 PolarHBondContact O-N 3.45Å; L270-Q273 PolarHBondContact O-N 3.35Å; Q273-Q276 PolarHBondContact O-N 2.89Å; Q273-K277 WeakPolarHBondContact O-CB 3.35Å; Q273-K277 WeakPolarHBondContact O-CG 3.18Å; Q273-K277 PolarHBondContact O-N 2.81Å |
| 274 | L | 96.9 | Very high | 96.4 | Very high | 120 Ų | 120 | 101.8 Ų | 101.8 | 63% | 0.628 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.6 | -40.2 | 176.2 | -176.9 | 61.7 | 0 | 0 | 0 | 111.7 | L270 T271 E272 K277 S278 | L270-L274 WeakPolarHBondContact O-CB 3.35Å; L270-L274 PolarHBondContact O-N 2.9Å; T271-L274 CarbonylContact O-C 3.57Å; T271-L274 WeakPolarHBondContact O-CB 3.48Å; T271-L274 PolarHBondContact O-N 2.86Å; E272-L274 VanDerWaalsContact C-N 3.3Å; E272-L274 PolarHBondContact O-N 2.91Å; L274-K277 PolarHBondContact O-N 2.87Å; L274-S278 WeakPolarHBondContact O-CB 3.36Å; L274-S278 PolarHBondContact O-N 2.84Å |
| 275 | N | 95.7 | Very high | 96.4 | Very high | 79 Ų | 79 | 107.7 Ų | 107.7 | 42% | 0.422 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.7 | -48.8 | 173.2 | -68.6 | -23.5 | 0 | 0 | 0 | 110.9 | T271 E272 K277 S278 V279 | T271-N275 PolarHBondContact O-N 3.25Å; T271-N275 PolarHBondContact O-ND2 3.45Å; E272-N275 WeakPolarHBondContact O-CB 3.37Å; E272-N275 PolarHBondContact O-N 3.02Å; E272-N275 PolarHBondContact OE2-ND2 2.88Å; N275-K277 VanDerWaalsContact C-N 3.31Å; N275-K277 PolarHBondContact O-N 3.06Å; N275-S278 WeakPolarHBondContact O-CB 3.49Å; N275-S278 PolarHBondContact O-N 3.03Å; N275-S278 VanDerWaalsContact O-N 3.09Å; N275-V279 WeakPolarHBondContact O-CG2 3.41Å; N275-V279 PolarHBondContact O-N 3.11Å |
| 276 | Q | 96.4 | Very high | 96.3 | Very high | 89 Ų | 89 | 107.5 Ų | 107.5 | 42% | 0.416 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.1 | -34.7 | 177.7 | -68.8 | 174.8 | 23.7 | 0 | 0 | 112.9 | E272 Q273 K280 | E272-Q276 WeakPolarHBondContact O-CG 3.42Å; E272-Q276 PolarHBondContact O-N 3.39Å; E272-Q276 WeakPolarHBondContact OE1-CG 3.17Å; E272-Q276 PolarHBondContact OE1-NE2 3.27Å; Q273-Q276 PolarHBondContact O-N 2.89Å; Q276-K280 WeakPolarHBondContact O-CB 3.49Å; Q276-K280 WeakPolarHBondContact O-CD 3.24Å; Q276-K280 VanDerWaalsContact O-CG 3.23Å; Q276-K280 WeakPolarHBondContact O-CG 3.42Å; Q276-K280 PolarHBondContact O-N 3.01Å |
| 277 | K | 95.6 | Very high | 96.4 | Very high | 147 Ų | 147 | 103.8 Ų | 103.8 | 64% | 0.639 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67 | -43.5 | 171 | -69 | -87.9 | -175.1 | 168.9 | 0 | 111 | Q273 L274 N275 K280 V281 | Q273-K277 WeakPolarHBondContact O-CB 3.35Å; Q273-K277 WeakPolarHBondContact O-CG 3.18Å; Q273-K277 PolarHBondContact O-N 2.81Å; L274-K277 PolarHBondContact O-N 2.87Å; N275-K277 VanDerWaalsContact C-N 3.31Å; N275-K277 PolarHBondContact O-N 3.06Å; K277-K280 PolarHBondContact O-N 3.18Å; K277-V281 WeakPolarHBondContact O-CG2 3.39Å; K277-V281 PolarHBondContact O-N 3.13Å |
| 278 | S | 96.8 | Very high | 96.4 | Very high | 68 Ų | 68 | 104.6 Ų | 104.6 | 48% | 0.476 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.7 | -47.9 | 179.8 | -169 | 0 | 0 | 0 | 0 | 111.9 | L274 N275 K280 V281 Q282 | L274-S278 WeakPolarHBondContact O-CB 3.36Å; L274-S278 PolarHBondContact O-N 2.84Å; N275-S278 WeakPolarHBondContact O-CB 3.49Å; N275-S278 PolarHBondContact O-N 3.03Å; N275-S278 VanDerWaalsContact O-N 3.09Å; S278-K280 PolarHBondContact O-N 2.86Å; S278-V281 PolarHBondContact O-N 3.41Å; S278-Q282 WeakPolarHBondContact O-CB 3.35Å; S278-Q282 PolarHBondContact O-N 2.98Å |
| 279 | V | 96.6 | Very high | 96.3 | Very high | 79 Ų | 79 | 100.9 Ų | 100.9 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.4 | -48.4 | 174.8 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | N275 V281 Q282 D283 | N275-V279 WeakPolarHBondContact O-CG2 3.41Å; N275-V279 PolarHBondContact O-N 3.11Å; V279-V281 VanDerWaalsContact C-N 3.3Å; V279-V281 PolarHBondContact O-N 2.68Å; V279-Q282 CarbonylContact O-C 3.6Å; V279-Q282 WeakPolarHBondContact O-CA 3.49Å; V279-Q282 WeakPolarHBondContact O-CB 3.41Å; V279-Q282 PolarHBondContact O-N 3.19Å; V279-D283 PolarHBondContact O-N 3.41Å |
| 280 | K | 97.4 | Very high | 96.4 | Very high | 127 Ų | 127 | 100.8 Ų | 100.8 | 55% | 0.552 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.5 | -36.7 | 176.8 | -72.4 | 167.5 | -174.1 | 169.3 | 0 | 113 | Q276 K277 S278 L284 | Q276-K280 WeakPolarHBondContact O-CB 3.49Å; Q276-K280 WeakPolarHBondContact O-CD 3.24Å; Q276-K280 VanDerWaalsContact O-CG 3.23Å; Q276-K280 WeakPolarHBondContact O-CG 3.42Å; Q276-K280 PolarHBondContact O-N 3.01Å; K277-K280 PolarHBondContact O-N 3.18Å; S278-K280 PolarHBondContact O-N 2.86Å; K280-L284 WeakPolarHBondContact O-CB 3.41Å; K280-L284 WeakPolarHBondContact O-CD1 3.34Å; K280-L284 WeakPolarHBondContact O-CG 3.49Å; K280-L284 PolarHBondContact O-N 3.35Å |
| 281 | V | 96.8 | Very high | 96.2 | Very high | 95 Ų | 95 | 99.1 Ų | 99.1 | 58% | 0.576 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.5 | -36.2 | 173.4 | 168.2 | 0 | 0 | 0 | 0 | 111.5 | K277 S278 V279 R285 | K277-V281 WeakPolarHBondContact O-CG2 3.39Å; K277-V281 PolarHBondContact O-N 3.13Å; S278-V281 PolarHBondContact O-N 3.41Å; V279-V281 VanDerWaalsContact C-N 3.3Å; V279-V281 PolarHBondContact O-N 2.68Å; V281-R285 VanDerWaalsContact O-CB 3.24Å; V281-R285 WeakPolarHBondContact O-CB 3.35Å; V281-R285 PolarHBondContact O-N 3.03Å |
| 282 | Q | 95.7 | Very high | 96.2 | Very high | 124 Ų | 124 | 100.4 Ų | 100.4 | 58% | 0.579 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68 | -42.6 | 175.9 | -175.1 | 169.5 | -10.9 | 0 | 0 | 111.9 | S278 V279 R285 T286 | S278-Q282 WeakPolarHBondContact O-CB 3.35Å; S278-Q282 PolarHBondContact O-N 2.98Å; V279-Q282 CarbonylContact O-C 3.6Å; V279-Q282 WeakPolarHBondContact O-CA 3.49Å; V279-Q282 WeakPolarHBondContact O-CB 3.41Å; V279-Q282 PolarHBondContact O-N 3.19Å; Q282-R285 WeakPolarHBondContact O-CB 3.41Å; Q282-R285 PolarHBondContact O-N 2.79Å; Q282-T286 PolarHBondContact O-N 3.32Å; Q282-T286 PolarHBondContact O-OG1 3.07Å |
| 283 | D | 96.2 | Very high | 96.1 | Very high | 96 Ų | 96 | 100.8 Ų | 100.8 | 51% | 0.513 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 175.8 | -65.4 | -29.1 | 0 | 0 | 0 | 111.9 | V279 R285 T286 G287 | V279-D283 PolarHBondContact O-N 3.41Å; D283-R285 VanDerWaalsContact C-N 3.29Å; D283-R285 PolarHBondContact O-N 3.2Å; D283-T286 WeakPolarHBondContact CA-OG1 3.36Å; D283-T286 PolarHBondContact O-N 3.49Å; D283-T286 PolarHBondContact O-OG1 2.86Å; D283-G287 PolarHBondContact O-N 2.92Å |
| 284 | L | 96.4 | Very high | 96.1 | Very high | 130 Ų | 130 | 101 Ų | 101 | 68% | 0.681 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.4 | -34.6 | 172.1 | -73.5 | 170.1 | 0 | 0 | 0 | 111.8 | K280 F288 | K280-L284 WeakPolarHBondContact O-CB 3.41Å; K280-L284 WeakPolarHBondContact O-CD1 3.34Å; K280-L284 WeakPolarHBondContact O-CG 3.49Å; K280-L284 PolarHBondContact O-N 3.35Å; L284-F288 VanDerWaalsContact O-CB 3.23Å; L284-F288 WeakPolarHBondContact O-CB 3.46Å; L284-F288 PolarHBondContact O-N 3.19Å |
| 285 | R | 96.4 | Very high | 96 | Very high | 194 Ų | 194 | 100.2 Ų | 100.2 | 73% | 0.732 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -72.2 | -39.3 | 177.3 | -175.6 | 178.4 | 179.4 | -174.9 | 0.2 | 112.7 | V281 Q282 D283 S289 | V281-R285 VanDerWaalsContact O-CB 3.24Å; V281-R285 WeakPolarHBondContact O-CB 3.35Å; V281-R285 PolarHBondContact O-N 3.03Å; Q282-R285 WeakPolarHBondContact O-CB 3.41Å; Q282-R285 PolarHBondContact O-N 2.79Å; D283-R285 VanDerWaalsContact C-N 3.29Å; D283-R285 PolarHBondContact O-N 3.2Å; R285-S289 PolarHBondContact O-N 3.49Å |
| 286 | T | 95.5 | Very high | 96 | Very high | 82 Ų | 82 | 99.6 Ų | 99.6 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.1 | -40.3 | 174.5 | 53.7 | 0 | 0 | 0 | 0 | 111.1 | Q282 D283 S289 Q290 | Q282-T286 PolarHBondContact O-N 3.32Å; Q282-T286 PolarHBondContact O-OG1 3.07Å; D283-T286 WeakPolarHBondContact CA-OG1 3.36Å; D283-T286 PolarHBondContact O-N 3.49Å; D283-T286 PolarHBondContact O-OG1 2.86Å; T286-S289 PolarHBondContact O-N 2.95Å; T286-Q290 WeakPolarHBondContact O-CB 3.41Å; T286-Q290 PolarHBondContact O-N 2.88Å |
| 287 | G | 97.4 | Very high | 96 | Very high | 36 Ų | 36 | 98 Ų | 98 | 37% | 0.371 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D283 Q290 A291 | D283-G287 PolarHBondContact O-N 2.92Å; G287-Q290 PolarHBondContact O-N 3.37Å; G287-A291 WeakPolarHBondContact O-CB 3.42Å; G287-A291 PolarHBondContact O-N 2.65Å |
| 288 | F | 94.9 | Very high | 95.9 | Very high | 136 Ų | 136 | 93.3 Ų | 93.3 | 60% | 0.596 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.7 | -44.7 | 174.5 | 179.6 | -93.2 | 0 | 0 | 0 | 112.1 | L284 A291 Q292 | L284-F288 VanDerWaalsContact O-CB 3.23Å; L284-F288 WeakPolarHBondContact O-CB 3.46Å; L284-F288 PolarHBondContact O-N 3.19Å; F288-A291 PolarHBondContact O-N 2.86Å; F288-Q292 VanDerWaalsContact CE1-OE1 3.24Å; F288-Q292 WeakPolarHBondContact O-CB 3.31Å; F288-Q292 PolarHBondContact O-N 3.38Å |
| 289 | S | 95.8 | Very high | 95.8 | Very high | 59 Ų | 59 | 94.1 Ų | 94.1 | 41% | 0.413 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.1 | -50.7 | 174.9 | -164.4 | 0 | 0 | 0 | 0 | 110.9 | R285 T286 A291 Q292 D293 | R285-S289 PolarHBondContact O-N 3.49Å; T286-S289 PolarHBondContact O-N 2.95Å; S289-A291 VanDerWaalsContact C-N 3.28Å; S289-A291 PolarHBondContact O-N 2.79Å; S289-Q292 CarbonylContact O-C 3.6Å; S289-Q292 PolarHBondContact O-N 3.11Å; S289-D293 PolarHBondContact O-N 3.3Å; S289-D293 VanDerWaalsContact O-OD2 3.06Å |
| 290 | Q | 96 | Very high | 95.8 | Very high | 114 Ų | 114 | 92.6 Ų | 92.6 | 53% | 0.533 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.7 | -35.6 | 179.3 | -168.6 | -173.4 | 54.8 | 0 | 0 | 112.4 | T286 G287 K294 | T286-Q290 WeakPolarHBondContact O-CB 3.41Å; T286-Q290 PolarHBondContact O-N 2.88Å; G287-Q290 PolarHBondContact O-N 3.37Å; Q290-K294 HydrophobicContact CG-CD 4.5Å; Q290-K294 WeakPolarHBondContact O-CB 3.45Å; Q290-K294 VanDerWaalsContact O-CG 3.29Å; Q290-K294 WeakPolarHBondContact O-CG 3.49Å; Q290-K294 PolarHBondContact O-N 3.19Å |
| 291 | A | 93.9 | Very high | 95.7 | Very high | 57 Ų | 57 | 94.3 Ų | 94.3 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.9 | -39.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G287 F288 S289 K294 L295 | G287-A291 WeakPolarHBondContact O-CB 3.42Å; G287-A291 PolarHBondContact O-N 2.65Å; F288-A291 PolarHBondContact O-N 2.86Å; S289-A291 VanDerWaalsContact C-N 3.28Å; S289-A291 PolarHBondContact O-N 2.79Å; A291-K294 PolarHBondContact O-N 3.13Å; A291-L295 WeakPolarHBondContact O-CB 3.3Å; A291-L295 PolarHBondContact O-N 2.72Å |
| 292 | Q | 96.4 | Very high | 95.5 | Very high | 102 Ų | 102 | 94.2 Ų | 94.2 | 48% | 0.477 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.6 | -34.2 | 176.5 | -172.1 | 159.9 | 3.7 | 0 | 0 | 112.6 | F288 S289 L295 S296 | F288-Q292 VanDerWaalsContact CE1-OE1 3.24Å; F288-Q292 WeakPolarHBondContact O-CB 3.31Å; F288-Q292 PolarHBondContact O-N 3.38Å; S289-Q292 CarbonylContact O-C 3.6Å; S289-Q292 PolarHBondContact O-N 3.11Å; Q292-L295 PolarHBondContact O-N 2.88Å; Q292-S296 WeakPolarHBondContact O-CB 3.48Å; Q292-S296 PolarHBondContact O-N 2.89Å; Q292-S296 PolarHBondContact O-OG 2.91Å |
| 293 | D | 95.1 | Very high | 95.5 | Very high | 97 Ų | 97 | 94.1 Ų | 94.1 | 52% | 0.519 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 172 | -61.2 | -38.2 | 0 | 0 | 0 | 111 | S289 S296 S297 | S289-D293 PolarHBondContact O-N 3.3Å; S289-D293 VanDerWaalsContact O-OD2 3.06Å; D293-S296 PolarHBondContact O-N 3.28Å; D293-S297 WeakPolarHBondContact O-CB 3.44Å; D293-S297 PolarHBondContact O-N 3.5Å; D293-S297 PolarHBondContact O-OG 2.91Å |
| 294 | K | 96.8 | Very high | 95.4 | Very high | 89 Ų | 89 | 94.6 Ų | 94.6 | 39% | 0.387 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 172.4 | -78.5 | 176 | 171.7 | -179.6 | 0 | 112.1 | Q290 A291 S297 A298 G1103 | Q290-K294 HydrophobicContact CG-CD 4.5Å; Q290-K294 WeakPolarHBondContact O-CB 3.45Å; Q290-K294 VanDerWaalsContact O-CG 3.29Å; Q290-K294 WeakPolarHBondContact O-CG 3.49Å; Q290-K294 PolarHBondContact O-N 3.19Å; A291-K294 PolarHBondContact O-N 3.13Å; K294-S297 WeakPolarHBondContact CA-OG 3.32Å; K294-S297 PolarHBondContact O-OG 3.43Å; K294-A298 VanDerWaalsContact O-CB 3.29Å; K294-A298 WeakPolarHBondContact O-CB 3.45Å; K294-A298 PolarHBondContact O-N 3.07Å; K294-G1103 PolarHBondContact NZ-O 2.64Å |
| 295 | L | 94.6 | Very high | 95.2 | Very high | 104 Ų | 104 | 93 Ų | 93 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67 | -41.6 | 175.4 | -179.2 | 61.7 | 0 | 0 | 0 | 112 | A291 Q292 A298 N299 | A291-L295 WeakPolarHBondContact O-CB 3.3Å; A291-L295 PolarHBondContact O-N 2.72Å; Q292-L295 PolarHBondContact O-N 2.88Å; L295-A298 PolarHBondContact O-N 2.9Å; L295-N299 PolarHBondContact O-N 3.16Å |
| 296 | S | 95.5 | Very high | 95.1 | Very high | 66 Ų | 66 | 88.9 Ų | 88.9 | 46% | 0.462 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | 179.8 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | Q292 D293 N299 A300 | Q292-S296 WeakPolarHBondContact O-CB 3.48Å; Q292-S296 PolarHBondContact O-N 2.89Å; Q292-S296 PolarHBondContact O-OG 2.91Å; D293-S296 PolarHBondContact O-N 3.28Å; S296-N299 PolarHBondContact O-N 2.86Å; S296-A300 PolarHBondContact O-N 3.21Å |
| 297 | S | 95.9 | Very high | 95.1 | Very high | 55 Ų | 55 | 90.6 Ų | 90.6 | 39% | 0.385 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.7 | -29.2 | 174.2 | 52.3 | 0 | 0 | 0 | 0 | 113.4 | D293 K294 R301 | D293-S297 WeakPolarHBondContact O-CB 3.44Å; D293-S297 PolarHBondContact O-N 3.5Å; D293-S297 PolarHBondContact O-OG 2.91Å; K294-S297 WeakPolarHBondContact CA-OG 3.32Å; K294-S297 PolarHBondContact O-OG 3.43Å; S297-R301 WeakPolarHBondContact O-CG 3.44Å; S297-R301 PolarHBondContact O-N 3.14Å |
| 298 | A | 94.2 | Very high | 95.1 | Very high | 49 Ų | 49 | 92.4 Ų | 92.4 | 41% | 0.405 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.5 | -43.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K294 L295 A300 R301 L302 | K294-A298 VanDerWaalsContact O-CB 3.29Å; K294-A298 WeakPolarHBondContact O-CB 3.45Å; K294-A298 PolarHBondContact O-N 3.07Å; L295-A298 PolarHBondContact O-N 2.9Å; A298-A300 PolarHBondContact O-N 3.41Å; A298-R301 PolarHBondContact O-N 3.02Å; A298-L302 PolarHBondContact O-N 2.9Å |
| 299 | N | 94.4 | Very high | 95 | Very high | 86 Ų | 86 | 89.4 Ų | 89.4 | 46% | 0.46 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64 | -38.4 | 175.4 | -81 | 6.6 | 0 | 0 | 0 | 112.5 | L295 S296 L302 Q303 | L295-N299 PolarHBondContact O-N 3.16Å; S296-N299 PolarHBondContact O-N 2.86Å; N299-L302 WeakPolarHBondContact O-CB 3.45Å; N299-L302 PolarHBondContact O-N 3.01Å; N299-Q303 PolarHBondContact O-N 3.26Å |
| 300 | A | 95.6 | Very high | 94.9 | Very high | 46 Ų | 46 | 94.1 Ų | 94.1 | 38% | 0.38 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61 | -45.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S296 A298 Q303 E304 | S296-A300 PolarHBondContact O-N 3.21Å; A298-A300 PolarHBondContact O-N 3.41Å; A300-Q303 PolarHBondContact O-N 3.12Å; A300-E304 PolarHBondContact O-N 2.9Å |
| 301 | R | 95.5 | Very high | 94.9 | Very high | 164 Ų | 164 | 95.3 Ų | 95.3 | 62% | 0.619 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64 | -39.3 | 173.7 | -69.7 | 174.7 | -171 | 169.9 | 5.3 | 112.3 | S297 A298 Q303 E304 E305 | S297-R301 WeakPolarHBondContact O-CG 3.44Å; S297-R301 PolarHBondContact O-N 3.14Å; A298-R301 PolarHBondContact O-N 3.02Å; R301-Q303 VanDerWaalsContact C-N 3.32Å; R301-Q303 PolarHBondContact O-N 3.21Å; R301-E304 WeakPolarHBondContact O-CB 3.45Å; R301-E304 PolarHBondContact O-N 3.4Å; R301-E305 WeakPolarHBondContact O-CG 3.44Å; R301-E305 PolarHBondContact O-N 2.78Å |
| 302 | L | 93.6 | Very high | 95 | Very high | 93 Ų | 93 | 97.7 Ų | 97.7 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.8 | -45.4 | 175.2 | -177.2 | 64.5 | 0 | 0 | 0 | 110.7 | A298 N299 E304 E305 E306 | A298-L302 PolarHBondContact O-N 2.9Å; N299-L302 WeakPolarHBondContact O-CB 3.45Å; N299-L302 PolarHBondContact O-N 3.01Å; L302-E304 PolarHBondContact O-N 3.49Å; L302-E305 PolarHBondContact O-N 2.81Å; L302-E306 HydrophobicContact CG-CG 4.44Å; L302-E306 WeakPolarHBondContact O-CB 3.42Å; L302-E306 VanDerWaalsContact O-CG 3.3Å; L302-E306 WeakPolarHBondContact O-CG 3.49Å; L302-E306 PolarHBondContact O-N 2.89Å |
| 303 | Q | 95.2 | Very high | 94.8 | Very high | 121 Ų | 121 | 97.9 Ų | 97.9 | 57% | 0.565 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.2 | -34.9 | 175.3 | -71.8 | -174.6 | -22 | 0 | 0 | 113.2 | N299 A300 R301 Q307 | N299-Q303 PolarHBondContact O-N 3.26Å; A300-Q303 PolarHBondContact O-N 3.12Å; R301-Q303 VanDerWaalsContact C-N 3.32Å; R301-Q303 PolarHBondContact O-N 3.21Å; Q303-Q307 WeakPolarHBondContact O-CB 3.48Å; Q303-Q307 VanDerWaalsContact O-CG 3.31Å; Q303-Q307 WeakPolarHBondContact O-CG 3.4Å; Q303-Q307 PolarHBondContact O-N 3.28Å |
| 304 | E | 95.1 | Very high | 94.8 | Very high | 106 Ų | 106 | 95.9 Ų | 95.9 | 50% | 0.495 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 171.5 | -74.4 | 180 | -158.2 | 0 | 0 | 112.4 | A300 R301 L302 K308 | A300-E304 PolarHBondContact O-N 2.9Å; R301-E304 WeakPolarHBondContact O-CB 3.45Å; R301-E304 PolarHBondContact O-N 3.4Å; L302-E304 PolarHBondContact O-N 3.49Å; E304-K308 VanDerWaalsContact O-CG 3.24Å; E304-K308 WeakPolarHBondContact O-CG 3.24Å; E304-K308 PolarHBondContact O-N 2.63Å |
| 305 | E | 92.3 | Very high | 94.7 | Very high | 98 Ų | 98 | 97.7 Ų | 97.7 | 46% | 0.458 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71 | -41.5 | 175.5 | -63.1 | -48.7 | 136.4 | 0 | 0 | 112.1 | R301 L302 Q307 K308 V309 | R301-E305 WeakPolarHBondContact O-CG 3.44Å; R301-E305 PolarHBondContact O-N 2.78Å; L302-E305 PolarHBondContact O-N 2.81Å; E305-Q307 VanDerWaalsContact C-N 3.29Å; E305-Q307 PolarHBondContact O-N 3.01Å; E305-K308 CarbonylContact O-C 3.59Å; E305-K308 WeakPolarHBondContact O-CA 3.26Å; E305-K308 WeakPolarHBondContact O-CB 3.45Å; E305-K308 PolarHBondContact O-N 3.36Å; E305-K308 IonicContact OE1-NZ 2.68Å; E305-K308 PolarHBondContact OE1-NZ 3.39Å; E305-K308 VanDerWaalsContact OE2-CD 3.26Å; E305-K308 WeakPolarHBondContact OE2-CD 3.48Å; E305-K308 IonicContact OE2-NZ 2.65Å; E305-V309 WeakPolarHBondContact O-CG2 3.46Å; E305-V309 PolarHBondContact O-N 3.21Å |
| 306 | E | 94.3 | Very high | 94.7 | Very high | 107 Ų | 107 | 98.1 Ų | 98.1 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -55 | -45.1 | 171.6 | -75.6 | 171.6 | 167.1 | 0 | 0 | 110.7 | L302 K308 V309 F310 | L302-E306 HydrophobicContact CG-CG 4.44Å; L302-E306 WeakPolarHBondContact O-CB 3.42Å; L302-E306 VanDerWaalsContact O-CG 3.3Å; L302-E306 WeakPolarHBondContact O-CG 3.49Å; L302-E306 PolarHBondContact O-N 2.89Å; E306-K308 PolarHBondContact O-N 3.25Å; E306-V309 PolarHBondContact O-N 3Å; E306-F310 WeakPolarHBondContact O-CB 3.26Å; E306-F310 PolarHBondContact O-N 3.43Å |
| 307 | Q | 95.6 | Very high | 94.7 | Very high | 117 Ų | 117 | 100.9 Ų | 100.9 | 55% | 0.547 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.1 | -28.5 | 174.6 | -72.8 | -175.7 | 25.2 | 0 | 0 | 113.9 | Q303 E305 R311 | Q303-Q307 WeakPolarHBondContact O-CB 3.48Å; Q303-Q307 VanDerWaalsContact O-CG 3.31Å; Q303-Q307 WeakPolarHBondContact O-CG 3.4Å; Q303-Q307 PolarHBondContact O-N 3.28Å; E305-Q307 VanDerWaalsContact C-N 3.29Å; E305-Q307 PolarHBondContact O-N 3.01Å; Q307-R311 WeakPolarHBondContact O-CG 3.22Å; Q307-R311 PolarHBondContact O-N 3.24Å; Q307-R311 PolarHBondContact O-NH1 3Å |
| 308 | K | 96.1 | Very high | 94.6 | Very high | 74 Ų | 74 | 102.9 Ų | 102.9 | 32% | 0.322 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.1 | -45.4 | 172.3 | -72.6 | 161.4 | -163.8 | 169.1 | 0 | 110.4 | E304 E305 E306 R311 L312 | E304-K308 VanDerWaalsContact O-CG 3.24Å; E304-K308 WeakPolarHBondContact O-CG 3.24Å; E304-K308 PolarHBondContact O-N 2.63Å; E305-K308 CarbonylContact O-C 3.59Å; E305-K308 WeakPolarHBondContact O-CA 3.26Å; E305-K308 WeakPolarHBondContact O-CB 3.45Å; E305-K308 PolarHBondContact O-N 3.36Å; E305-K308 IonicContact OE1-NZ 2.68Å; E305-K308 PolarHBondContact OE1-NZ 3.39Å; E305-K308 VanDerWaalsContact OE2-CD 3.26Å; E305-K308 WeakPolarHBondContact OE2-CD 3.48Å; E305-K308 IonicContact OE2-NZ 2.65Å; E306-K308 PolarHBondContact O-N 3.25Å; K308-R311 VanDerWaalsContact CG-NH2 3.28Å; K308-R311 PolarHBondContact O-N 2.9Å; K308-L312 WeakPolarHBondContact O-CG 3.32Å; K308-L312 PolarHBondContact O-N 3.09Å |
| 309 | V | 93.8 | Very high | 94.6 | Very high | 74 Ų | 74 | 105.2 Ų | 105.2 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.9 | -50 | 174.1 | 172.3 | 0 | 0 | 0 | 0 | 110.2 | E305 E306 R311 L312 E313 | E305-V309 WeakPolarHBondContact O-CG2 3.46Å; E305-V309 PolarHBondContact O-N 3.21Å; E306-V309 PolarHBondContact O-N 3Å; V309-R311 PolarHBondContact O-N 3.15Å; V309-L312 CarbonylContact O-C 3.58Å; V309-L312 PolarHBondContact O-N 2.76Å; V309-E313 HydrophobicContact CG1-CG 4.09Å; V309-E313 WeakPolarHBondContact O-CB 3.47Å; V309-E313 WeakPolarHBondContact O-CG 3.49Å; V309-E313 PolarHBondContact O-N 2.9Å |
| 310 | F | 94.1 | Very high | 94.5 | Very high | 158 Ų | 158 | 103.5 Ų | 103.5 | 69% | 0.693 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.6 | -33.1 | 179.8 | -143.8 | -77.9 | 0 | 0 | 0 | 113.1 | E306 A314 | E306-F310 WeakPolarHBondContact O-CB 3.26Å; E306-F310 PolarHBondContact O-N 3.43Å; F310-A314 WeakPolarHBondContact O-CB 3.19Å; F310-A314 PolarHBondContact O-N 2.95Å |
| 311 | R | 95.9 | Very high | 94.4 | Very high | 139 Ų | 139 | 104.4 Ų | 104.4 | 53% | 0.525 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.9 | -43.3 | 172.6 | -75.7 | -174.1 | -63.9 | -90.2 | 0.6 | 112.4 | Q307 K308 V309 A314 E315 | Q307-R311 WeakPolarHBondContact O-CG 3.22Å; Q307-R311 PolarHBondContact O-N 3.24Å; Q307-R311 PolarHBondContact O-NH1 3Å; K308-R311 VanDerWaalsContact CG-NH2 3.28Å; K308-R311 PolarHBondContact O-N 2.9Å; V309-R311 PolarHBondContact O-N 3.15Å; R311-A314 PolarHBondContact O-N 3.34Å; R311-E315 WeakPolarHBondContact O-CB 3.4Å; R311-E315 PolarHBondContact O-N 2.95Å |
| 312 | L | 94.4 | Very high | 94.4 | Very high | 107 Ų | 107 | 103.3 Ų | 103.3 | 56% | 0.56 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.5 | -35.6 | 178.1 | -70.1 | 169.2 | 0 | 0 | 0 | 112.1 | K308 V309 E315 L316 | K308-L312 WeakPolarHBondContact O-CG 3.32Å; K308-L312 PolarHBondContact O-N 3.09Å; V309-L312 CarbonylContact O-C 3.58Å; V309-L312 PolarHBondContact O-N 2.76Å; L312-E315 PolarHBondContact O-N 3.12Å; L312-L316 WeakPolarHBondContact O-CB 3.49Å; L312-L316 PolarHBondContact O-N 2.99Å |
| 313 | E | 93.1 | Very high | 94.3 | Very high | 105 Ų | 105 | 105.4 Ų | 105.4 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 172.1 | -72.8 | 178.2 | 157.2 | 0 | 0 | 111.2 | V309 L316 L317 | V309-E313 HydrophobicContact CG1-CG 4.09Å; V309-E313 WeakPolarHBondContact O-CB 3.47Å; V309-E313 WeakPolarHBondContact O-CG 3.49Å; V309-E313 PolarHBondContact O-N 2.9Å; E313-L316 PolarHBondContact O-N 3.45Å; E313-L317 WeakPolarHBondContact O-CB 3.29Å; E313-L317 VanDerWaalsContact O-CG 3.24Å; E313-L317 WeakPolarHBondContact O-CG 3.31Å; E313-L317 PolarHBondContact O-N 2.9Å |
| 314 | A | 94.8 | Very high | 94.2 | Very high | 55 Ų | 55 | 104.7 Ų | 104.7 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F310 R311 L317 E318 | F310-A314 WeakPolarHBondContact O-CB 3.19Å; F310-A314 PolarHBondContact O-N 2.95Å; R311-A314 PolarHBondContact O-N 3.34Å; A314-L317 PolarHBondContact O-N 2.87Å; A314-E318 PolarHBondContact O-N 3.03Å |
| 315 | E | 94.9 | Very high | 94.2 | Very high | 128 Ų | 128 | 105.9 Ų | 105.9 | 60% | 0.598 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.3 | -38.9 | 177.1 | -175 | 170.4 | -160.3 | 0 | 0 | 111.9 | R311 L312 E318 Q319 | R311-E315 WeakPolarHBondContact O-CB 3.4Å; R311-E315 PolarHBondContact O-N 2.95Å; L312-E315 PolarHBondContact O-N 3.12Å; E315-E318 PolarHBondContact O-N 2.95Å; E315-Q319 WeakPolarHBondContact O-CB 3.48Å; E315-Q319 PolarHBondContact O-N 3.42Å |
| 316 | L | 93.6 | Very high | 94.2 | Very high | 113 Ų | 113 | 106.1 Ų | 106.1 | 59% | 0.592 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -71.9 | -34.7 | 176.6 | -170.6 | 147.8 | 0 | 0 | 0 | 112.1 | L312 E313 Q319 A320 | L312-L316 WeakPolarHBondContact O-CB 3.49Å; L312-L316 PolarHBondContact O-N 2.99Å; E313-L316 PolarHBondContact O-N 3.45Å; L316-Q319 PolarHBondContact O-N 3.5Å; L316-A320 VanDerWaalsContact O-CB 3.29Å; L316-A320 WeakPolarHBondContact O-CB 3.29Å; L316-A320 PolarHBondContact O-N 3.36Å |
| 317 | L | 95.4 | Very high | 94 | Very high | 123 Ų | 123 | 107.1 Ų | 107.1 | 64% | 0.644 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.1 | -39.4 | 170.1 | -76.2 | 169.4 | 0 | 0 | 0 | 111.9 | E313 A314 A320 S321 | E313-L317 WeakPolarHBondContact O-CB 3.29Å; E313-L317 VanDerWaalsContact O-CG 3.24Å; E313-L317 WeakPolarHBondContact O-CG 3.31Å; E313-L317 PolarHBondContact O-N 2.9Å; A314-L317 PolarHBondContact O-N 2.87Å; L317-A320 PolarHBondContact O-N 3.48Å; L317-S321 PolarHBondContact O-N 3.42Å; L317-S321 PolarHBondContact O-OG 3.06Å |
| 318 | E | 94.7 | Very high | 93.9 | Very high | 97 Ų | 97 | 107 Ų | 107 | 45% | 0.453 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.7 | -39.2 | 173.7 | -158.5 | -167.1 | 156.6 | 0 | 0 | 111.6 | A314 E315 A320 S321 R322 | A314-E318 PolarHBondContact O-N 3.03Å; E315-E318 PolarHBondContact O-N 2.95Å; E318-A320 VanDerWaalsContact C-N 3.33Å; E318-A320 PolarHBondContact O-N 2.8Å; E318-S321 PolarHBondContact O-N 2.83Å; E318-S321 PolarHBondContact O-OG 2.85Å; E318-R322 VanDerWaalsContact CD-NH2 3.35Å; E318-R322 WeakPolarHBondContact O-CB 3.34Å; E318-R322 VanDerWaalsContact O-CG 3.23Å; E318-R322 WeakPolarHBondContact O-CG 3.44Å; E318-R322 PolarHBondContact O-N 3.4Å; E318-R322 IonicContact OE1-CZ 2.79Å; E318-R322 IonicContact OE1-NE 3.81Å; E318-R322 PolarHBondContact OE1-NE 2.85Å; E318-R322 IonicContact OE1-NH2 2.97Å; E318-R322 PolarHBondContact OE1-NH2 3.26Å; E318-R322 IonicContact OE2-NH2 3.71Å |
| 319 | Q | 93.8 | Very high | 93.8 | Very high | 98 Ų | 98 | 105.5 Ų | 105.5 | 46% | 0.458 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 174.4 | -167.5 | 179.6 | 18.1 | 0 | 0 | 111.4 | E315 L316 H323 | E315-Q319 WeakPolarHBondContact O-CB 3.48Å; E315-Q319 PolarHBondContact O-N 3.42Å; L316-Q319 PolarHBondContact O-N 3.5Å; Q319-H323 VanDerWaalsContact CG-NE2 3.33Å; Q319-H323 WeakPolarHBondContact CG-NE2 3.48Å; Q319-H323 PolarHBondContact NE2-NE2 3.41Å; Q319-H323 WeakPolarHBondContact O-CB 3.38Å; Q319-H323 PolarHBondContact O-CD2 2.95Å; Q319-H323 PolarHBondContact O-N 2.86Å |
| 320 | A | 93.1 | Very high | 93.6 | Very high | 50 Ų | 50 | 107.3 Ų | 107.3 | 41% | 0.413 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L316 L317 E318 H324 | L316-A320 VanDerWaalsContact O-CB 3.29Å; L316-A320 WeakPolarHBondContact O-CB 3.29Å; L316-A320 PolarHBondContact O-N 3.36Å; L317-A320 PolarHBondContact O-N 3.48Å; E318-A320 VanDerWaalsContact C-N 3.33Å; E318-A320 PolarHBondContact O-N 2.8Å; A320-H324 WeakPolarHBondContact O-CB 3.12Å; A320-H324 PolarHBondContact O-N 2.87Å |
| 321 | S | 93.8 | Very high | 93.5 | Very high | 66 Ų | 66 | 103.4 Ų | 103.4 | 46% | 0.462 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.7 | -38.6 | 177 | 70 | 0 | 0 | 0 | 0 | 112.3 | L317 E318 H324 Q325 | L317-S321 PolarHBondContact O-N 3.42Å; L317-S321 PolarHBondContact O-OG 3.06Å; E318-S321 PolarHBondContact O-N 2.83Å; E318-S321 PolarHBondContact O-OG 2.85Å; S321-H324 PolarHBondContact O-N 3.5Å; S321-Q325 WeakPolarHBondContact O-CB 3.29Å; S321-Q325 PolarHBondContact O-N 2.99Å |
| 322 | R | 94.9 | Very high | 93.3 | Very high | 140 Ų | 140 | 99.4 Ų | 99.4 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.7 | -49.7 | 170.4 | -71 | 172 | -175.2 | -168.8 | 7.4 | 111.5 | E318 H324 Q325 D326 | E318-R322 VanDerWaalsContact CD-NH2 3.35Å; E318-R322 WeakPolarHBondContact O-CB 3.34Å; E318-R322 VanDerWaalsContact O-CG 3.23Å; E318-R322 WeakPolarHBondContact O-CG 3.44Å; E318-R322 PolarHBondContact O-N 3.4Å; E318-R322 IonicContact OE1-CZ 2.79Å; E318-R322 IonicContact OE1-NE 3.81Å; E318-R322 PolarHBondContact OE1-NE 2.85Å; E318-R322 IonicContact OE1-NH2 2.97Å; E318-R322 PolarHBondContact OE1-NH2 3.26Å; E318-R322 IonicContact OE2-NH2 3.71Å; R322-H324 VanDerWaalsContact C-N 3.29Å; R322-H324 PolarHBondContact O-N 3.3Å; R322-Q325 PolarHBondContact O-N 3.46Å; R322-Q325 VanDerWaalsContact O-N 3.17Å; R322-D326 WeakPolarHBondContact O-CB 3.47Å; R322-D326 PolarHBondContact O-N 3.3Å |
| 323 | H | 91.9 | Very high | 93.3 | Very high | 137 Ų | 137 | 100.1 Ų | 100.1 | 63% | 0.634 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.2 | -37.7 | 176.3 | -77.8 | -47.7 | 0 | 0 | 0 | 112.6 | Q319 Q327 | Q319-H323 VanDerWaalsContact CG-NE2 3.33Å; Q319-H323 WeakPolarHBondContact CG-NE2 3.48Å; Q319-H323 PolarHBondContact NE2-NE2 3.41Å; Q319-H323 WeakPolarHBondContact O-CB 3.38Å; Q319-H323 PolarHBondContact O-CD2 2.95Å; Q319-H323 PolarHBondContact O-N 2.86Å; H323-Q327 WeakPolarHBondContact O-CB 3.35Å; H323-Q327 PolarHBondContact O-N 3.15Å |
| 324 | H | 93.6 | Very high | 93.1 | Very high | 106 Ų | 106 | 100.6 Ų | 100.6 | 49% | 0.491 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.1 | -44.8 | 174.9 | -172.4 | 41.5 | 0 | 0 | 0 | 111.5 | A320 S321 R322 D326 Q327 E328 | A320-H324 WeakPolarHBondContact O-CB 3.12Å; A320-H324 PolarHBondContact O-N 2.87Å; S321-H324 PolarHBondContact O-N 3.5Å; R322-H324 VanDerWaalsContact C-N 3.29Å; R322-H324 PolarHBondContact O-N 3.3Å; H324-D326 PolarHBondContact O-N 3.47Å; H324-Q327 WeakPolarHBondContact O-CB 3.38Å; H324-Q327 PolarHBondContact O-N 3.19Å; H324-Q327 VanDerWaalsContact O-N 3.17Å; H324-E328 WeakPolarHBondContact O-CG 3.36Å; H324-E328 PolarHBondContact O-N 3.27Å |
| 325 | Q | 94 | Very high | 92.9 | Very high | 132 Ų | 132 | 101.8 Ų | 101.8 | 62% | 0.617 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.3 | -38.5 | 176.7 | -170 | 174.9 | 27.6 | 0 | 0 | 112.3 | S321 R322 E328 A329 | S321-Q325 WeakPolarHBondContact O-CB 3.29Å; S321-Q325 PolarHBondContact O-N 2.99Å; R322-Q325 PolarHBondContact O-N 3.46Å; R322-Q325 VanDerWaalsContact O-N 3.17Å; Q325-E328 PolarHBondContact O-N 2.95Å; Q325-A329 VanDerWaalsContact O-CB 3.27Å; Q325-A329 WeakPolarHBondContact O-CB 3.29Å; Q325-A329 PolarHBondContact O-N 3.49Å |
| 326 | D | 92.6 | Very high | 92.8 | Very high | 102 Ų | 102 | 98.4 Ų | 98.4 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66 | -38.1 | 172.2 | -81.8 | -34.1 | 0 | 0 | 0 | 111.6 | R322 H324 A329 M330 | R322-D326 WeakPolarHBondContact O-CB 3.47Å; R322-D326 PolarHBondContact O-N 3.3Å; H324-D326 PolarHBondContact O-N 3.47Å; D326-A329 PolarHBondContact O-N 3.23Å; D326-M330 VanDerWaalsContact O-CB 3.3Å; D326-M330 WeakPolarHBondContact O-CB 3.47Å; D326-M330 VanDerWaalsContact O-CG 3.27Å; D326-M330 WeakPolarHBondContact O-CG 3.31Å; D326-M330 PolarHBondContact O-N 2.96Å |
| 327 | Q | 91.1 | Very high | 92.6 | Very high | 128 Ų | 128 | 99.1 Ų | 99.1 | 60% | 0.598 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.3 | -42.3 | 174.1 | -173.5 | -178.2 | 8.8 | 0 | 0 | 111.9 | H323 H324 M330 T331 | H323-Q327 WeakPolarHBondContact O-CB 3.35Å; H323-Q327 PolarHBondContact O-N 3.15Å; H324-Q327 WeakPolarHBondContact O-CB 3.38Å; H324-Q327 PolarHBondContact O-N 3.19Å; H324-Q327 VanDerWaalsContact O-N 3.17Å; Q327-M330 PolarHBondContact O-N 3.19Å; Q327-T331 WeakPolarHBondContact O-CB 3.49Å; Q327-T331 PolarHBondContact O-N 2.89Å; Q327-T331 PolarHBondContact O-OG1 3.14Å |
| 328 | E | 92.6 | Very high | 92.4 | Very high | 116 Ų | 116 | 97 Ų | 97 | 54% | 0.542 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.5 | -47 | 172.3 | -72.8 | -170.1 | 135.7 | 0 | 0 | 110.9 | H324 Q325 M330 T331 A332 | H324-E328 WeakPolarHBondContact O-CG 3.36Å; H324-E328 PolarHBondContact O-N 3.27Å; Q325-E328 PolarHBondContact O-N 2.95Å; E328-M330 PolarHBondContact O-N 2.88Å; E328-T331 PolarHBondContact O-N 3.01Å; E328-A332 WeakPolarHBondContact O-CB 3.29Å; E328-A332 PolarHBondContact O-N 2.82Å |
| 329 | A | 94 | Very high | 92.2 | Very high | 41 Ų | 41 | 94.5 Ų | 94.5 | 34% | 0.339 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q325 D326 K333 | Q325-A329 VanDerWaalsContact O-CB 3.27Å; Q325-A329 WeakPolarHBondContact O-CB 3.29Å; Q325-A329 PolarHBondContact O-N 3.49Å; D326-A329 PolarHBondContact O-N 3.23Å; A329-K333 WeakPolarHBondContact O-CB 3.38Å; A329-K333 VanDerWaalsContact O-CG 3.25Å; A329-K333 WeakPolarHBondContact O-CG 3.38Å; A329-K333 PolarHBondContact O-N 2.64Å |
| 330 | M | 90.3 | Very high | 92.1 | Very high | 112 Ų | 112 | 95.6 Ų | 95.6 | 55% | 0.552 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.2 | -38.5 | 172.5 | -77.1 | -63.2 | -67.6 | 0 | 0 | 112 | D326 Q327 E328 K333 L334 | D326-M330 VanDerWaalsContact O-CB 3.3Å; D326-M330 WeakPolarHBondContact O-CB 3.47Å; D326-M330 VanDerWaalsContact O-CG 3.27Å; D326-M330 WeakPolarHBondContact O-CG 3.31Å; D326-M330 PolarHBondContact O-N 2.96Å; Q327-M330 PolarHBondContact O-N 3.19Å; E328-M330 PolarHBondContact O-N 2.88Å; M330-K333 PolarHBondContact O-N 3.47Å; M330-K333 HydrophobicContact SD-CD 4.04Å; M330-L334 WeakPolarHBondContact O-CB 3.32Å; M330-L334 PolarHBondContact O-N 3.21Å |
| 331 | T | 90.4 | Very high | 91.9 | Very high | 76 Ų | 76 | 96.7 Ų | 96.7 | 47% | 0.466 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.9 | -39.7 | 176 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | Q327 E328 L334 T335 | Q327-T331 WeakPolarHBondContact O-CB 3.49Å; Q327-T331 PolarHBondContact O-N 2.89Å; Q327-T331 PolarHBondContact O-OG1 3.14Å; E328-T331 PolarHBondContact O-N 3.01Å; T331-L334 PolarHBondContact O-N 2.98Å; T331-T335 WeakPolarHBondContact O-CG2 3.49Å; T331-T335 PolarHBondContact O-N 3.4Å; T331-T335 PolarHBondContact O-OG1 3.11Å |
| 332 | A | 91.7 | Very high | 91.6 | Very high | 56 Ų | 56 | 99.4 Ų | 99.4 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E328 T335 S336 | E328-A332 WeakPolarHBondContact O-CB 3.29Å; E328-A332 PolarHBondContact O-N 2.82Å; A332-T335 PolarHBondContact O-OG1 3.26Å; A332-S336 WeakPolarHBondContact O-CB 3.33Å; A332-S336 PolarHBondContact O-N 2.93Å |
| 333 | K | 94.5 | Very high | 91.4 | Very high | 121 Ų | 121 | 97 Ų | 97 | 53% | 0.526 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -56 | -52.5 | 171.4 | -74.1 | 166.7 | -174.9 | 170.8 | 0 | 111 | A329 M330 T335 S336 E337 | A329-K333 WeakPolarHBondContact O-CB 3.38Å; A329-K333 VanDerWaalsContact O-CG 3.25Å; A329-K333 WeakPolarHBondContact O-CG 3.38Å; A329-K333 PolarHBondContact O-N 2.64Å; M330-K333 PolarHBondContact O-N 3.47Å; M330-K333 HydrophobicContact SD-CD 4.04Å; K333-T335 PolarHBondContact O-N 2.89Å; K333-S336 WeakPolarHBondContact O-CA 3.48Å; K333-S336 WeakPolarHBondContact O-CB 3.44Å; K333-S336 PolarHBondContact O-N 2.98Å; K333-S336 PolarHBondContact O-OG 3.09Å; K333-E337 PolarHBondContact O-N 2.82Å |
| 334 | L | 89.6 | Confident | 91.3 | Very high | 115 Ų | 115 | 95.1 Ų | 95.1 | 60% | 0.602 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.3 | -45.9 | -177.2 | -157.7 | 109.6 | 0 | 0 | 0 | 111.7 | M330 T331 S336 E337 D338 | M330-L334 WeakPolarHBondContact O-CB 3.32Å; M330-L334 PolarHBondContact O-N 3.21Å; T331-L334 PolarHBondContact O-N 2.98Å; L334-S336 VanDerWaalsContact C-N 3.28Å; L334-S336 PolarHBondContact O-N 3.46Å; L334-E337 PolarHBondContact O-N 3.5Å; L334-D338 VanDerWaalsContact O-CB 3.25Å; L334-D338 WeakPolarHBondContact O-CB 3.45Å; L334-D338 PolarHBondContact O-N 3.5Å |
| 335 | T | 91.1 | Very high | 91.1 | Very high | 80 Ų | 80 | 98.2 Ų | 98.2 | 49% | 0.491 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.6 | -29.4 | 176.4 | 54.1 | 0 | 0 | 0 | 0 | 113.2 | T331 A332 K333 A339 | T331-T335 WeakPolarHBondContact O-CG2 3.49Å; T331-T335 PolarHBondContact O-N 3.4Å; T331-T335 PolarHBondContact O-OG1 3.11Å; A332-T335 PolarHBondContact O-OG1 3.26Å; K333-T335 PolarHBondContact O-N 2.89Å; T335-A339 WeakPolarHBondContact O-CB 3.49Å; T335-A339 PolarHBondContact O-N 3.01Å |
| 336 | S | 91.3 | Very high | 90.8 | Very high | 57 Ų | 57 | 98 Ų | 98 | 40% | 0.399 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -74.5 | -40.9 | 174.5 | 82 | 0 | 0 | 0 | 0 | 112.8 | A332 K333 L334 D338 A339 Q340 | A332-S336 WeakPolarHBondContact O-CB 3.33Å; A332-S336 PolarHBondContact O-N 2.93Å; K333-S336 WeakPolarHBondContact O-CA 3.48Å; K333-S336 WeakPolarHBondContact O-CB 3.44Å; K333-S336 PolarHBondContact O-N 2.98Å; K333-S336 PolarHBondContact O-OG 3.09Å; L334-S336 VanDerWaalsContact C-N 3.28Å; L334-S336 PolarHBondContact O-N 3.46Å; S336-D338 VanDerWaalsContact C-N 3.34Å; S336-A339 WeakPolarHBondContact O-CB 3.49Å; S336-A339 PolarHBondContact O-N 3.5Å; S336-Q340 WeakPolarHBondContact O-CG 3.46Å; S336-Q340 PolarHBondContact O-N 3.39Å |
| 337 | E | 91.2 | Very high | 90.7 | Very high | 128 Ų | 128 | 98.2 Ų | 98.2 | 60% | 0.598 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.1 | -39.9 | 171.3 | -72.9 | -169.1 | 169.7 | 0 | 0 | 110.9 | K333 L334 A339 Q340 N341 | K333-E337 PolarHBondContact O-N 2.82Å; L334-E337 PolarHBondContact O-N 3.5Å; E337-A339 VanDerWaalsContact C-N 3.29Å; E337-A339 PolarHBondContact O-N 3.44Å; E337-Q340 CarbonylContact O-C 3.59Å; E337-Q340 WeakPolarHBondContact O-CA 3.36Å; E337-Q340 WeakPolarHBondContact O-CB 3.36Å; E337-Q340 PolarHBondContact O-N 2.87Å; E337-Q340 VanDerWaalsContact O-N 3.09Å; E337-N341 WeakPolarHBondContact O-CB 3.46Å; E337-N341 PolarHBondContact O-N 2.7Å |
| 338 | D | 89.5 | Confident | 90.6 | Very high | 78 Ų | 78 | 97.7 Ų | 97.7 | 42% | 0.417 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.2 | -33.5 | 177.6 | -155.6 | 48.1 | 0 | 0 | 0 | 111.2 | L334 S336 N341 R342 | L334-D338 VanDerWaalsContact O-CB 3.25Å; L334-D338 WeakPolarHBondContact O-CB 3.45Å; L334-D338 PolarHBondContact O-N 3.5Å; S336-D338 VanDerWaalsContact C-N 3.34Å; D338-N341 PolarHBondContact O-N 2.85Å; D338-R342 WeakPolarHBondContact O-CB 3.28Å; D338-R342 VanDerWaalsContact O-CG 3.22Å; D338-R342 WeakPolarHBondContact O-CG 3.43Å; D338-R342 PolarHBondContact O-N 3.42Å; D338-R342 PolarHBondContact O-NE 3.3Å; D338-R342 IonicContact OD2-CZ 2.76Å; D338-R342 IonicContact OD2-NE 3.63Å; D338-R342 PolarHBondContact OD2-NE 3.27Å; D338-R342 IonicContact OD2-NH2 3.75Å; D338-R342 PolarHBondContact OD2-NH2 3.41Å |
| 339 | A | 90.4 | Very high | 90.3 | Very high | 45 Ų | 45 | 96.1 Ų | 96.1 | 37% | 0.372 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.2 | -41.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T335 S336 E337 N341 R342 H343 | T335-A339 WeakPolarHBondContact O-CB 3.49Å; T335-A339 PolarHBondContact O-N 3.01Å; S336-A339 WeakPolarHBondContact O-CB 3.49Å; S336-A339 PolarHBondContact O-N 3.5Å; E337-A339 VanDerWaalsContact C-N 3.29Å; E337-A339 PolarHBondContact O-N 3.44Å; A339-N341 VanDerWaalsContact C-N 3.35Å; A339-R342 PolarHBondContact O-N 3.3Å; A339-H343 PolarHBondContact O-N 2.88Å |
| 340 | Q | 91.9 | Very high | 89.9 | Confident | 122 Ų | 122 | 96.6 Ų | 96.6 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.9 | -39.1 | 171.8 | -66.8 | 177.5 | 37.4 | 0 | 0 | 111.8 | S336 E337 H343 L344 | S336-Q340 WeakPolarHBondContact O-CG 3.46Å; S336-Q340 PolarHBondContact O-N 3.39Å; E337-Q340 CarbonylContact O-C 3.59Å; E337-Q340 WeakPolarHBondContact O-CA 3.36Å; E337-Q340 WeakPolarHBondContact O-CB 3.36Å; E337-Q340 PolarHBondContact O-N 2.87Å; E337-Q340 VanDerWaalsContact O-N 3.09Å; Q340-H343 CarbonylContact O-C 3.57Å; Q340-H343 WeakPolarHBondContact O-CB 3.35Å; Q340-H343 PolarHBondContact O-N 2.98Å; Q340-L344 WeakPolarHBondContact O-CG 3.31Å; Q340-L344 PolarHBondContact O-N 2.99Å |
| 341 | N | 88.6 | Confident | 89.8 | Confident | 72 Ų | 72 | 95.6 Ų | 95.6 | 39% | 0.385 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.7 | -42.3 | 178.7 | -153.4 | -60.2 | 0 | 0 | 0 | 110.8 | E337 D338 A339 H343 L344 R345 | E337-N341 WeakPolarHBondContact O-CB 3.46Å; E337-N341 PolarHBondContact O-N 2.7Å; D338-N341 PolarHBondContact O-N 2.85Å; A339-N341 VanDerWaalsContact C-N 3.35Å; N341-H343 PolarHBondContact O-N 3.03Å; N341-L344 PolarHBondContact O-N 2.89Å; N341-R345 WeakPolarHBondContact O-CB 3.22Å; N341-R345 VanDerWaalsContact O-CG 3.25Å; N341-R345 WeakPolarHBondContact O-CG 3.37Å; N341-R345 PolarHBondContact O-N 3.45Å; N341-R345 PolarHBondContact OD1-NE 3.47Å; N341-R345 PolarHBondContact OD1-NH2 2.83Å |
| 342 | R | 89.4 | Confident | 89.6 | Confident | 124 Ų | 124 | 95 Ų | 95 | 47% | 0.468 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 169.7 | -70.4 | 171.9 | -131.4 | 139.2 | -4.3 | 111.9 | D338 A339 R345 Q346 | D338-R342 WeakPolarHBondContact O-CB 3.28Å; D338-R342 VanDerWaalsContact O-CG 3.22Å; D338-R342 WeakPolarHBondContact O-CG 3.43Å; D338-R342 PolarHBondContact O-N 3.42Å; D338-R342 PolarHBondContact O-NE 3.3Å; D338-R342 IonicContact OD2-CZ 2.76Å; D338-R342 IonicContact OD2-NE 3.63Å; D338-R342 PolarHBondContact OD2-NE 3.27Å; D338-R342 IonicContact OD2-NH2 3.75Å; D338-R342 PolarHBondContact OD2-NH2 3.41Å; A339-R342 PolarHBondContact O-N 3.3Å; R342-R345 PolarHBondContact O-N 2.97Å; R342-Q346 WeakPolarHBondContact O-CG 3.23Å; R342-Q346 PolarHBondContact O-N 2.91Å |
| 343 | H | 89.8 | Confident | 89.2 | Confident | 89 Ų | 89 | 99 Ų | 99 | 41% | 0.412 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.6 | -37.9 | 176.7 | -177.3 | 55.3 | 0 | 0 | 0 | 113.1 | A339 Q340 N341 Q346 K347 | A339-H343 PolarHBondContact O-N 2.88Å; Q340-H343 CarbonylContact O-C 3.57Å; Q340-H343 WeakPolarHBondContact O-CB 3.35Å; Q340-H343 PolarHBondContact O-N 2.98Å; N341-H343 PolarHBondContact O-N 3.03Å; H343-Q346 PolarHBondContact O-N 2.96Å; H343-K347 VanDerWaalsContact NE2-CE 3.25Å; H343-K347 WeakPolarHBondContact NE2-CE 3.34Å; H343-K347 PolarHBondContact NE2-NZ 2.78Å; H343-K347 PolarHBondContact O-N 2.82Å |
| 344 | L | 89.1 | Confident | 88.8 | Confident | 98 Ų | 98 | 98.1 Ų | 98.1 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 173.1 | -72.8 | 171.2 | 0 | 0 | 0 | 111.6 | Q340 N341 Q346 K347 L348 | Q340-L344 WeakPolarHBondContact O-CG 3.31Å; Q340-L344 PolarHBondContact O-N 2.99Å; N341-L344 PolarHBondContact O-N 2.89Å; L344-Q346 PolarHBondContact O-N 3.28Å; L344-K347 PolarHBondContact O-N 3.22Å; L344-L348 WeakPolarHBondContact O-CB 3.23Å; L344-L348 WeakPolarHBondContact O-CG 3.49Å; L344-L348 PolarHBondContact O-N 3.44Å |
| 345 | R | 89.1 | Confident | 88.4 | Confident | 170 Ų | 170 | 98.3 Ų | 98.3 | 64% | 0.642 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.8 | -39.4 | 173 | -71.1 | 166.8 | -173 | -115.9 | 4 | 112.3 | N341 R342 L348 S349 | N341-R345 WeakPolarHBondContact O-CB 3.22Å; N341-R345 VanDerWaalsContact O-CG 3.25Å; N341-R345 WeakPolarHBondContact O-CG 3.37Å; N341-R345 PolarHBondContact O-N 3.45Å; N341-R345 PolarHBondContact OD1-NE 3.47Å; N341-R345 PolarHBondContact OD1-NH2 2.83Å; R342-R345 PolarHBondContact O-N 2.97Å; R345-L348 PolarHBondContact O-N 2.85Å; R345-S349 WeakPolarHBondContact O-CB 3.46Å; R345-S349 PolarHBondContact O-N 2.91Å |
| 346 | Q | 88.9 | Confident | 87.9 | Confident | 129 Ų | 129 | 99.3 Ų | 99.3 | 60% | 0.603 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.5 | -44.7 | 172.2 | -72.4 | 167.4 | -12.7 | 0 | 0 | 111.7 | R342 H343 L344 S349 A350 | R342-Q346 WeakPolarHBondContact O-CG 3.23Å; R342-Q346 PolarHBondContact O-N 2.91Å; H343-Q346 PolarHBondContact O-N 2.96Å; L344-Q346 PolarHBondContact O-N 3.28Å; Q346-S349 PolarHBondContact O-N 3.41Å; Q346-A350 PolarHBondContact O-N 3.3Å |
| 347 | K | 90.5 | Very high | 87.4 | Confident | 106 Ų | 106 | 100.8 Ų | 100.8 | 46% | 0.461 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 174.5 | -80.7 | 171.1 | 162.8 | 164.4 | 0 | 112.7 | H343 L344 A350 L351 | H343-K347 VanDerWaalsContact NE2-CE 3.25Å; H343-K347 WeakPolarHBondContact NE2-CE 3.34Å; H343-K347 PolarHBondContact NE2-NZ 2.78Å; H343-K347 PolarHBondContact O-N 2.82Å; L344-K347 PolarHBondContact O-N 3.22Å; K347-A350 PolarHBondContact O-N 2.98Å; K347-L351 WeakPolarHBondContact O-CB 3.5Å; K347-L351 WeakPolarHBondContact O-CG 3.5Å; K347-L351 PolarHBondContact O-N 3.48Å |
| 348 | L | 87.8 | Confident | 86.7 | Confident | 116 Ų | 116 | 99.9 Ų | 99.9 | 61% | 0.607 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.6 | -39.5 | 176.4 | -73.6 | 168.7 | 0 | 0 | 0 | 111.8 | L344 R345 L351 S352 | L344-L348 WeakPolarHBondContact O-CB 3.23Å; L344-L348 WeakPolarHBondContact O-CG 3.49Å; L344-L348 PolarHBondContact O-N 3.44Å; R345-L348 PolarHBondContact O-N 2.85Å; L348-L351 PolarHBondContact O-N 3.29Å; L348-S352 WeakPolarHBondContact O-CB 3.45Å; L348-S352 PolarHBondContact O-N 3.46Å |
| 349 | S | 86.4 | Confident | 86.1 | Confident | 83 Ų | 83 | 97.4 Ų | 97.4 | 58% | 0.58 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.3 | -43.2 | 173.5 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | R345 Q346 S352 R353 | R345-S349 WeakPolarHBondContact O-CB 3.46Å; R345-S349 PolarHBondContact O-N 2.91Å; Q346-S349 PolarHBondContact O-N 3.41Å; S349-S352 PolarHBondContact O-N 3.5Å; S349-R353 PolarHBondContact O-N 2.87Å; S349-R353 VanDerWaalsContact O-N 3.1Å |
| 350 | A | 86.3 | Confident | 85.4 | Confident | 51 Ų | 51 | 101.5 Ų | 101.5 | 42% | 0.421 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q346 K347 R353 Q354 | Q346-A350 PolarHBondContact O-N 3.3Å; K347-A350 PolarHBondContact O-N 2.98Å; A350-R353 PolarHBondContact O-N 3.37Å; A350-Q354 PolarHBondContact O-N 2.88Å; A350-Q354 VanDerWaalsContact O-N 3.14Å |
| 351 | L | 88.2 | Confident | 84.6 | Confident | 92 Ų | 92 | 99.6 Ų | 99.6 | 48% | 0.482 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.5 | -37.2 | 176.3 | -74.6 | 166.5 | 0 | 0 | 0 | 112.5 | K347 L348 R353 Q354 L355 | K347-L351 WeakPolarHBondContact O-CB 3.5Å; K347-L351 WeakPolarHBondContact O-CG 3.5Å; K347-L351 PolarHBondContact O-N 3.48Å; L348-L351 PolarHBondContact O-N 3.29Å; L351-R353 VanDerWaalsContact C-N 3.33Å; L351-Q354 PolarHBondContact O-N 2.9Å; L351-L355 PolarHBondContact O-N 2.87Å |
| 352 | S | 86.2 | Confident | 83.9 | Confident | 62 Ų | 62 | 99.6 Ų | 99.6 | 43% | 0.434 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 172.5 | -168.2 | 0 | 0 | 0 | 0 | 110.4 | L348 S349 Q354 L355 D356 | L348-S352 WeakPolarHBondContact O-CB 3.45Å; L348-S352 PolarHBondContact O-N 3.46Å; S349-S352 PolarHBondContact O-N 3.5Å; S352-Q354 PolarHBondContact O-N 3.25Å; S352-L355 CarbonylContact O-C 3.58Å; S352-L355 WeakPolarHBondContact O-CA 3.45Å; S352-L355 WeakPolarHBondContact O-CB 3.48Å; S352-L355 PolarHBondContact O-N 2.94Å; S352-D356 PolarHBondContact O-N 2.83Å; S352-D356 VanDerWaalsContact O-OD2 3.07Å |
| 353 | R | 84 | Confident | 83.3 | Confident | 141 Ų | 141 | 99.7 Ų | 99.7 | 53% | 0.532 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.8 | -33.7 | 178.4 | -151.9 | -171.1 | 69.9 | 67.6 | 23.2 | 112.4 | S349 A350 L351 E357 | S349-R353 PolarHBondContact O-N 2.87Å; S349-R353 VanDerWaalsContact O-N 3.1Å; A350-R353 PolarHBondContact O-N 3.37Å; L351-R353 VanDerWaalsContact C-N 3.33Å; R353-E357 IonicContact CZ-OE1 3.62Å; R353-E357 IonicContact NH1-OE1 3.41Å; R353-E357 PolarHBondContact NH1-OE1 3.29Å; R353-E357 VanDerWaalsContact NH2-CD 3.34Å; R353-E357 IonicContact NH2-OE1 2.94Å; R353-E357 PolarHBondContact NH2-OE1 2.93Å; R353-E357 IonicContact NH2-OE2 3.99Å; R353-E357 PolarHBondContact NH2-OE2 3.48Å; R353-E357 VanDerWaalsContact O-CG 3.31Å; R353-E357 WeakPolarHBondContact O-CG 3.44Å; R353-E357 PolarHBondContact O-N 2.87Å; R353-E357 VanDerWaalsContact O-N 3.16Å |
| 354 | Q | 85.9 | Confident | 82.4 | Confident | 102 Ų | 102 | 99.4 Ų | 99.4 | 48% | 0.477 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -74 | -32.9 | 172.7 | -71.1 | -178.8 | -40.7 | 0 | 0 | 113.1 | A350 L351 S352 D356 L358 | A350-Q354 PolarHBondContact O-N 2.88Å; A350-Q354 VanDerWaalsContact O-N 3.14Å; L351-Q354 PolarHBondContact O-N 2.9Å; S352-Q354 PolarHBondContact O-N 3.25Å; Q354-D356 VanDerWaalsContact C-N 3.35Å; Q354-L358 WeakPolarHBondContact O-CB 3.31Å; Q354-L358 WeakPolarHBondContact O-CG 3.39Å; Q354-L358 PolarHBondContact O-N 2.89Å |
| 355 | L | 80 | Confident | 81.6 | Confident | 120 Ų | 120 | 100.3 Ų | 100.3 | 63% | 0.628 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.9 | -34.5 | 172 | -89.9 | 165.9 | 0 | 0 | 0 | 112 | L351 S352 L358 G359 | L351-L355 PolarHBondContact O-N 2.87Å; S352-L355 CarbonylContact O-C 3.58Å; S352-L355 WeakPolarHBondContact O-CA 3.45Å; S352-L355 WeakPolarHBondContact O-CB 3.48Å; S352-L355 PolarHBondContact O-N 2.94Å; L355-L358 PolarHBondContact O-N 3.26Å; L355-G359 PolarHBondContact O-N 3.45Å |
| 356 | D | 81.1 | Confident | 80.8 | Confident | 101 Ų | 101 | 98.9 Ų | 98.9 | 54% | 0.54 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.7 | -47.4 | 173 | -64.2 | -47.8 | 0 | 0 | 0 | 110.8 | S352 Q354 L358 G359 E360 | S352-D356 PolarHBondContact O-N 2.83Å; S352-D356 VanDerWaalsContact O-OD2 3.07Å; Q354-D356 VanDerWaalsContact C-N 3.35Å; D356-L358 VanDerWaalsContact C-N 3.33Å; D356-L358 PolarHBondContact O-N 3.03Å; D356-G359 CarbonylContact O-C 3.59Å; D356-G359 WeakPolarHBondContact O-CA 3.26Å; D356-G359 PolarHBondContact O-N 3.19Å; D356-E360 PolarHBondContact O-N 2.94Å |
| 357 | E | 82.1 | Confident | 79.9 | Confident | 88 Ų | 88 | 100 Ų | 100 | 41% | 0.411 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -56.1 | -43.8 | 172.6 | -72.5 | 168.3 | 162.4 | 0 | 0 | 111.9 | R353 E360 T361 | R353-E357 IonicContact CZ-OE1 3.62Å; R353-E357 IonicContact NH1-OE1 3.41Å; R353-E357 PolarHBondContact NH1-OE1 3.29Å; R353-E357 VanDerWaalsContact NH2-CD 3.34Å; R353-E357 IonicContact NH2-OE1 2.94Å; R353-E357 PolarHBondContact NH2-OE1 2.93Å; R353-E357 IonicContact NH2-OE2 3.99Å; R353-E357 PolarHBondContact NH2-OE2 3.48Å; R353-E357 VanDerWaalsContact O-CG 3.31Å; R353-E357 WeakPolarHBondContact O-CG 3.44Å; R353-E357 PolarHBondContact O-N 2.87Å; R353-E357 VanDerWaalsContact O-N 3.16Å; E357-E360 PolarHBondContact O-N 3.02Å; E357-T361 PolarHBondContact O-N 3.35Å |
| 358 | L | 75.2 | Confident | 78.9 | Confident | 108 Ų | 108 | 97.2 Ų | 97.2 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.1 | -36.5 | 173.3 | -77.7 | 166.7 | 0 | 0 | 0 | 112.5 | Q354 L355 D356 E360 T361 N362 | Q354-L358 WeakPolarHBondContact O-CB 3.31Å; Q354-L358 WeakPolarHBondContact O-CG 3.39Å; Q354-L358 PolarHBondContact O-N 2.89Å; L355-L358 PolarHBondContact O-N 3.26Å; D356-L358 VanDerWaalsContact C-N 3.33Å; D356-L358 PolarHBondContact O-N 3.03Å; L358-E360 VanDerWaalsContact C-N 3.27Å; L358-E360 PolarHBondContact O-N 2.92Å; L358-T361 PolarHBondContact O-N 2.96Å; L358-T361 PolarHBondContact O-OG1 3.43Å; L358-N362 WeakPolarHBondContact O-CB 3.38Å; L358-N362 PolarHBondContact O-N 3.49Å |
| 359 | G | 77.9 | Confident | 78.3 | Confident | 27 Ų | 27 | 97.2 Ų | 97.2 | 28% | 0.278 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -30.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L355 D356 K363 | L355-G359 PolarHBondContact O-N 3.45Å; D356-G359 CarbonylContact O-C 3.59Å; D356-G359 WeakPolarHBondContact O-CA 3.26Å; D356-G359 PolarHBondContact O-N 3.19Å; G359-K363 WeakPolarHBondContact O-CD 3.2Å; G359-K363 WeakPolarHBondContact O-CE 3.16Å; G359-K363 VanDerWaalsContact O-CG 3.31Å; G359-K363 WeakPolarHBondContact O-CG 3.43Å |
| 360 | E | 74.7 | Confident | 77.6 | Confident | 131 Ų | 131 | 99.5 Ų | 99.5 | 61% | 0.612 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -73.3 | -43.6 | 172.3 | -67.4 | -170 | 155.2 | 0 | 0 | 112.3 | D356 E357 L358 N362 K363 | D356-E360 PolarHBondContact O-N 2.94Å; E357-E360 PolarHBondContact O-N 3.02Å; L358-E360 VanDerWaalsContact C-N 3.27Å; L358-E360 PolarHBondContact O-N 2.92Å; E360-N362 PolarHBondContact O-N 2.82Å; E360-K363 WeakPolarHBondContact O-CB 3.47Å; E360-K363 PolarHBondContact O-N 3.16Å |
| 361 | T | 75.1 | Confident | 76.7 | Confident | 81 Ų | 81 | 104 Ų | 104 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.6 | -34.2 | 174.2 | 60.5 | 0 | 0 | 0 | 0 | 113.2 | E357 L358 K363 T364 L365 | E357-T361 PolarHBondContact O-N 3.35Å; L358-T361 PolarHBondContact O-N 2.96Å; L358-T361 PolarHBondContact O-OG1 3.43Å; T361-K363 PolarHBondContact O-N 3.38Å; T361-T364 PolarHBondContact O-N 3.25Å; T361-T364 PolarHBondContact O-OG1 2.98Å; T361-L365 PolarHBondContact O-N 2.69Å |
| 362 | N | 73.9 | Confident | 75.6 | Confident | 72 Ų | 72 | 104.2 Ų | 104.2 | 39% | 0.385 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.1 | -29.8 | 176 | -163.3 | -80.5 | 0 | 0 | 0 | 112.5 | L358 E360 T364 L365 R366 | L358-N362 WeakPolarHBondContact O-CB 3.38Å; L358-N362 PolarHBondContact O-N 3.49Å; E360-N362 PolarHBondContact O-N 2.82Å; N362-T364 VanDerWaalsContact C-N 3.27Å; N362-T364 PolarHBondContact O-N 3.03Å; N362-L365 PolarHBondContact O-N 2.89Å; N362-R366 PolarHBondContact O-N 3.41Å; N362-R366 PolarHBondContact OD1-NE 3.37Å; N362-R366 PolarHBondContact OD1-NH2 3.33Å; N362-R366 VanDerWaalsContact OD1-NH2 3.11Å |
| 363 | K | 76.6 | Confident | 74.8 | Confident | 127 Ų | 127 | 105.3 Ų | 105.3 | 55% | 0.552 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -73.1 | -11.6 | 173.3 | -65.3 | 163.4 | -166.9 | 163.7 | 0 | 113.7 | G359 E360 T361 R367 | G359-K363 WeakPolarHBondContact O-CD 3.2Å; G359-K363 WeakPolarHBondContact O-CE 3.16Å; G359-K363 VanDerWaalsContact O-CG 3.31Å; G359-K363 WeakPolarHBondContact O-CG 3.43Å; E360-K363 WeakPolarHBondContact O-CB 3.47Å; E360-K363 PolarHBondContact O-N 3.16Å; T361-K363 PolarHBondContact O-N 3.38Å; K363-R367 PolarHBondContact O-NE 3.3Å; K363-R367 PolarHBondContact O-NH2 2.95Å |
| 364 | T | 70.6 | Confident | 73.8 | Confident | 83 Ų | 83 | 105.7 Ų | 105.7 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -91.1 | -40 | 169.1 | 68.8 | 0 | 0 | 0 | 0 | 110.7 | T361 N362 R366 R367 | T361-T364 PolarHBondContact O-N 3.25Å; T361-T364 PolarHBondContact O-OG1 2.98Å; N362-T364 VanDerWaalsContact C-N 3.27Å; N362-T364 PolarHBondContact O-N 3.03Å; T364-R366 PolarHBondContact O-N 3.43Å; T364-R367 PolarHBondContact O-N 3.05Å |
| 365 | L | 72.2 | Confident | 72.5 | Confident | 116 Ų | 116 | 105.9 Ų | 105.9 | 61% | 0.607 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.4 | -47 | -179.8 | -166.5 | 74.3 | 0 | 0 | 0 | 113.2 | T361 N362 R367 A368 E369 | T361-L365 PolarHBondContact O-N 2.69Å; N362-L365 PolarHBondContact O-N 2.89Å; L365-R367 PolarHBondContact O-N 3.15Å; L365-A368 PolarHBondContact O-N 3.13Å; L365-E369 PolarHBondContact O-N 3.42Å |
| 366 | R | 73.3 | Confident | 71.7 | Confident | 141 Ų | 141 | 106.1 Ų | 106.1 | 53% | 0.532 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.5 | -29.8 | -176.3 | -107.2 | -177.5 | -79.4 | 171.7 | -9.6 | 114.6 | N362 T364 A368 E369 E370 | N362-R366 PolarHBondContact O-N 3.41Å; N362-R366 PolarHBondContact OD1-NE 3.37Å; N362-R366 PolarHBondContact OD1-NH2 3.33Å; N362-R366 VanDerWaalsContact OD1-NH2 3.11Å; T364-R366 PolarHBondContact O-N 3.43Å; R366-A368 VanDerWaalsContact C-N 3.31Å; R366-A368 PolarHBondContact O-N 2.87Å; R366-E369 WeakPolarHBondContact O-CB 3.49Å; R366-E369 PolarHBondContact O-N 3.42Å; R366-E369 VanDerWaalsContact O-N 3.16Å; R366-E370 WeakPolarHBondContact O-CG 3.49Å; R366-E370 PolarHBondContact O-N 2.92Å; R366-E370 VanDerWaalsContact O-N 3.16Å |
| 367 | R | 71.1 | Confident | 70.6 | Confident | 151 Ų | 151 | 106.5 Ų | 106.5 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.5 | -29 | 176 | -79.3 | 175 | -80.6 | 153.4 | -8.6 | 113 | K363 T364 L365 | K363-R367 PolarHBondContact O-NE 3.3Å; K363-R367 PolarHBondContact O-NH2 2.95Å; T364-R367 PolarHBondContact O-N 3.05Å; L365-R367 PolarHBondContact O-N 3.15Å |
| 368 | A | 69.4 | Low | 69.5 | Low | 49 Ų | 49 | 108.6 Ų | 108.6 | 41% | 0.405 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -80.6 | -20.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L365 R366 L372 | L365-A368 PolarHBondContact O-N 3.13Å; R366-A368 VanDerWaalsContact C-N 3.31Å; R366-A368 PolarHBondContact O-N 2.87Å; A368-L372 WeakPolarHBondContact O-CG 3.35Å; A368-L372 PolarHBondContact O-N 3.41Å |
| 369 | E | 73.6 | Confident | 68.7 | Low | 116 Ų | 116 | 110.1 Ų | 110.1 | 54% | 0.542 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -76.1 | -38 | 176.1 | -172.3 | 169.7 | -153.1 | 0 | 0 | 111.8 | L365 R366 L372 Q373 | L365-E369 PolarHBondContact O-N 3.42Å; R366-E369 WeakPolarHBondContact O-CB 3.49Å; R366-E369 PolarHBondContact O-N 3.42Å; R366-E369 VanDerWaalsContact O-N 3.16Å; E369-L372 PolarHBondContact O-N 3.32Å; E369-Q373 PolarHBondContact O-N 2.93Å |
| 370 | E | 73.3 | Confident | 67.6 | Low | 131 Ų | 131 | 113.3 Ų | 113.3 | 61% | 0.612 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -58.3 | -46.2 | 173.7 | -71.7 | 163.3 | -179.3 | 0 | 0 | 111.6 | R366 L372 Q373 | R366-E370 WeakPolarHBondContact O-CG 3.49Å; R366-E370 PolarHBondContact O-N 2.92Å; R366-E370 VanDerWaalsContact O-N 3.16Å; E370-L372 VanDerWaalsContact C-N 3.29Å; E370-L372 PolarHBondContact O-N 2.86Å; E370-Q373 PolarHBondContact O-N 3.18Å |
| 371 | E | 67.1 | Low | 66.2 | Low | 146 Ų | 146 | 117.3 Ų | 117.3 | 68% | 0.682 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.5 | -30.8 | 176.3 | -67.1 | 177.3 | 175.1 | 0 | 0 | 113.4 | ||
| 372 | L | 64.9 | Low | 64.9 | Low | 95 Ų | 95 | 117 Ų | 117 | 50% | 0.497 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -80.9 | -15.5 | 178.9 | -73.5 | 173.1 | 0 | 0 | 0 | 113.7 | A368 E369 E370 L375 | A368-L372 WeakPolarHBondContact O-CG 3.35Å; A368-L372 PolarHBondContact O-N 3.41Å; E369-L372 PolarHBondContact O-N 3.32Å; E370-L372 VanDerWaalsContact C-N 3.29Å; E370-L372 PolarHBondContact O-N 2.86Å; L372-L375 HydrophobicContact CD2-CD1 4.44Å |
| 373 | Q | 68.2 | Low | 63.5 | Low | 86 Ų | 86 | 122.4 Ų | 122.4 | 40% | 0.402 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -79 | -37.5 | 179.9 | -172.2 | 55.8 | 28.7 | 0 | 0 | 112.3 | E369 E370 L375 R376 | E369-Q373 PolarHBondContact O-N 2.93Å; E370-Q373 PolarHBondContact O-N 3.18Å; Q373-L375 PolarHBondContact O-N 3.31Å; Q373-L375 VanDerWaalsContact O-N 3.1Å; Q373-R376 PolarHBondContact O-N 3.12Å |
| 374 | E | 62.8 | Low | 61.9 | Low | 148 Ų | 148 | 121.9 Ų | 121.9 | 69% | 0.692 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -17.9 | 177.8 | -165.7 | -178.6 | -151.2 | 0 | 0 | 113.5 | ||
| 375 | L | 59.9 | Low | 60.9 | Low | 107 Ų | 107 | 121 Ų | 121 | 56% | 0.56 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -27.3 | 173.8 | -75.6 | 166 | 0 | 0 | 0 | 113.5 | L372 Q373 | L372-L375 HydrophobicContact CD2-CD1 4.44Å; Q373-L375 PolarHBondContact O-N 3.31Å; Q373-L375 VanDerWaalsContact O-N 3.1Å |
| 376 | R | 62.2 | Low | 60 | Low | 124 Ų | 124 | 123.4 Ų | 123.4 | 47% | 0.468 | 63% | 0.633 | S | S | . | * | G | 310 helix | trans | -75.2 | -37.3 | -175.7 | -85.6 | -176.5 | -80.3 | -90.3 | 1 | 113.3 | Q373 K378 I379 | Q373-R376 PolarHBondContact O-N 3.12Å; R376-K378 PolarHBondContact O-N 2.93Å; R376-I379 PolarHBondContact O-N 3.45Å; R376-I379 VanDerWaalsContact O-N 3.13Å |
| 377 | D | 59.5 | Low | 58.9 | Low | 109 Ų | 109 | 122.7 Ų | 122.7 | 58% | 0.583 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -67.8 | -5.6 | -173.6 | -64.3 | -9.3 | 0 | 0 | 0 | 114.3 | ||
| 378 | K | 58.8 | Low | 57.7 | Low | 132 Ų | 132 | 121.2 Ų | 121.2 | 57% | 0.574 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -84.5 | -14 | 175.3 | -74 | 164 | -177.6 | 135.2 | 0 | 114 | R376 R381 | R376-K378 PolarHBondContact O-N 2.93Å; K378-R381 PolarHBondContact O-NH2 3.26Å; K378-R381 VanDerWaalsContact O-NH2 3.16Å |
| 379 | I | 58 | Low | 56.8 | Low | 140 Ų | 140 | 125.3 Ų | 125.3 | 72% | 0.718 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -95.9 | -19.6 | -166.9 | -61.8 | 176.1 | 0 | 0 | 0 | 113.6 | R376 R381 | R376-I379 PolarHBondContact O-N 3.45Å; R376-I379 VanDerWaalsContact O-N 3.13Å; I379-R381 PolarHBondContact O-N 2.96Å |
| 380 | S | 54.5 | Low | 55.8 | Low | 95 Ų | 95 | 127.7 Ų | 127.7 | 66% | 0.664 | 69% | 0.69 | S | S | * | * | trans | -79.8 | 68 | -162.1 | 57 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 381 | R | 45.7 | Very low | 55.3 | Low | 214 Ų | 214 | 125.8 Ų | 125.8 | 81% | 0.808 | 69% | 0.691 | S | S | * | * | trans | -140.9 | 59.7 | -177.8 | -66.3 | -174.4 | -94.3 | -109 | -4.4 | 116.7 | K378 I379 | K378-R381 PolarHBondContact O-NH2 3.26Å; K378-R381 VanDerWaalsContact O-NH2 3.16Å; I379-R381 PolarHBondContact O-N 2.96Å | ||
| 382 | G | 46.8 | Very low | 55.6 | Low | 74 Ų | 74 | 125.9 Ų | 125.9 | 76% | 0.763 | 69% | 0.691 | S | S | * | * | trans | 147.4 | -177.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 383 | E | 46.1 | Very low | 55.8 | Low | 186 Ų | 186 | 128.2 Ų | 128.2 | 87% | 0.869 | 70% | 0.704 | S | S | * | * | cis | -179.4 | 169.1 | -34.3 | -89.2 | -155 | -110.5 | 0 | 0 | 107.3 | ||||
| 384 | C | 42.9 | Very low | 55.9 | Low | 116 Ų | 116 | 131.6 Ų | 131.6 | 78% | 0.784 | 72% | 0.72 | S | S | * | * | cis | -167.5 | 174.2 | -23.9 | -89.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 385 | G | 49.7 | Very low | 56.5 | Low | 66 Ų | 66 | 129.6 Ų | 129.6 | 68% | 0.68 | 71% | 0.71 | S | S | * | * | cis | -165.6 | -145.5 | 12.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 386 | N | 52.1 | Low | 57.5 | Low | 165 Ų | 165 | 129.6 Ų | 129.6 | 88% | 0.882 | 71% | 0.71 | S | S | * | * | trans | -135.7 | 161.7 | -152.7 | -49.7 | -38.9 | 0 | 0 | 0 | 120.9 | ||||
| 387 | S | 50.3 | Low | 58 | Low | 126 Ų | 126 | 131 Ų | 131 | 88% | 0.881 | 72% | 0.722 | S | S | * | * | 145 | 143.7 | 129.4 | 63.9 | 0 | 0 | 0 | 0 | 120 | |||||
| 388 | S | 45.1 | Very low | 59 | Low | 121 Ų | 121 | 131.9 Ų | 131.9 | 85% | 0.846 | 72% | 0.721 | S | S | * | * | trans | 174.8 | 165 | 149.5 | -168.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 389 | L | 50.4 | Low | 60.2 | Low | 134 Ų | 134 | 131.8 Ų | 131.8 | 70% | 0.702 | 72% | 0.717 | S | S | * | * | trans | -149.9 | -23.2 | -179.5 | -170.5 | 63.6 | 0 | 0 | 0 | 118.3 | S391 | L389-S391 VanDerWaalsContact C-N 3.34Å; L389-S391 PolarHBondContact O-N 3.4Å; L389-S391 VanDerWaalsContact O-N 3.11Å | ||
| 390 | M | 53 | Low | 61.5 | Low | 167 Ų | 167 | 128.4 Ų | 128.4 | 82% | 0.823 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -10.2 | -160.4 | -77.6 | -68 | -65 | 0 | 0 | 118 | ||
| 391 | S | 62.3 | Low | 62.9 | Low | 90 Ų | 90 | 129.8 Ų | 129.8 | 63% | 0.629 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -21.6 | -166.8 | 45 | 0 | 0 | 0 | 0 | 116.1 | L389 L393 | L389-S391 VanDerWaalsContact C-N 3.34Å; L389-S391 PolarHBondContact O-N 3.4Å; L389-S391 VanDerWaalsContact O-N 3.11Å; S391-L393 PolarHBondContact O-N 3.4Å |
| 392 | E | 74.8 | Confident | 64.6 | Low | 148 Ų | 148 | 123.3 Ų | 123.3 | 69% | 0.692 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -75.2 | -23.7 | -166.9 | -61.2 | -176.6 | 172.8 | 0 | 0 | 114.1 | ||
| 393 | L | 68.7 | Low | 66.4 | Low | 145 Ų | 145 | 124.9 Ų | 124.9 | 76% | 0.759 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -75.9 | -37.6 | -174.5 | -156.7 | 83.2 | 0 | 0 | 0 | 112.9 | S391 | S391-L393 PolarHBondContact O-N 3.4Å |
| 394 | E | 70.4 | Confident | 67.9 | Low | 157 Ų | 157 | 121.2 Ų | 121.2 | 73% | 0.734 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -72 | -32.8 | -177.5 | -62.5 | -175.3 | 154.8 | 0 | 0 | 111.7 | L396 | E394-L396 VanDerWaalsContact C-N 3.28Å; E394-L396 PolarHBondContact O-N 2.85Å |
| 395 | E | 76.3 | Confident | 69.9 | Low | 105 Ų | 105 | 117.8 Ų | 117.8 | 49% | 0.491 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -66.8 | -29.7 | -179.7 | -146.5 | -159.7 | 135.4 | 0 | 0 | 112.5 | K398 R399 | E395-K398 PolarHBondContact O-N 3.22Å; E395-R399 PolarHBondContact O-N 3.47Å; E395-R399 IonicContact OE1-CZ 3.41Å; E395-R399 IonicContact OE1-NE 3.37Å; E395-R399 PolarHBondContact OE1-NE 3.17Å; E395-R399 IonicContact OE1-NH2 2.67Å; E395-R399 PolarHBondContact OE1-NH2 3.29Å; E395-R399 IonicContact OE2-NH2 3.47Å; E395-R399 PolarHBondContact OE2-NH2 2.81Å |
| 396 | L | 79.4 | Confident | 71.7 | Confident | 107 Ų | 107 | 120.1 Ų | 120.1 | 56% | 0.56 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.4 | -38.8 | -177.1 | -170.4 | 62.7 | 0 | 0 | 0 | 112.6 | E394 K398 R399 | E394-L396 VanDerWaalsContact C-N 3.28Å; E394-L396 PolarHBondContact O-N 2.85Å; L396-K398 VanDerWaalsContact C-N 3.31Å; L396-K398 PolarHBondContact O-N 3.09Å; L396-R399 PolarHBondContact O-N 3.31Å |
| 397 | Q | 73.8 | Confident | 73.3 | Confident | 154 Ų | 154 | 116.6 Ų | 116.6 | 72% | 0.72 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -63.5 | -38.8 | 176.5 | -71.9 | -170.1 | -10.4 | 0 | 0 | 111.8 | R399 V400 | Q397-R399 VanDerWaalsContact C-N 3.31Å; Q397-R399 PolarHBondContact O-N 3.01Å; Q397-V400 PolarHBondContact O-N 2.7Å |
| 398 | K | 80.6 | Confident | 75.2 | Confident | 128 Ų | 128 | 115.6 Ų | 115.6 | 56% | 0.557 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -59.6 | -41.6 | 178.2 | -167.8 | -172.2 | 179.9 | -120 | 0 | 112.1 | E395 L396 V400 E402 | E395-K398 PolarHBondContact O-N 3.22Å; L396-K398 VanDerWaalsContact C-N 3.31Å; L396-K398 PolarHBondContact O-N 3.09Å; K398-V400 VanDerWaalsContact C-N 3.29Å; K398-V400 PolarHBondContact O-N 2.82Å; K398-E402 WeakPolarHBondContact CE-OE1 3.4Å; K398-E402 IonicContact NZ-OE1 3.82Å; K398-E402 PolarHBondContact NZ-OE1 3.37Å; K398-E402 WeakPolarHBondContact O-CG 3.34Å; K398-E402 PolarHBondContact O-N 2.95Å |
| 399 | R | 84.4 | Confident | 77.3 | Confident | 130 Ų | 130 | 115 Ų | 115 | 49% | 0.491 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.1 | -29 | -178.9 | -66.1 | -180 | -164.8 | 159.2 | 2.9 | 113.3 | E395 L396 Q397 E402 M403 | E395-R399 PolarHBondContact O-N 3.47Å; E395-R399 IonicContact OE1-CZ 3.41Å; E395-R399 IonicContact OE1-NE 3.37Å; E395-R399 PolarHBondContact OE1-NE 3.17Å; E395-R399 IonicContact OE1-NH2 2.67Å; E395-R399 PolarHBondContact OE1-NH2 3.29Å; E395-R399 IonicContact OE2-NH2 3.47Å; E395-R399 PolarHBondContact OE2-NH2 2.81Å; L396-R399 PolarHBondContact O-N 3.31Å; Q397-R399 VanDerWaalsContact C-N 3.31Å; Q397-R399 PolarHBondContact O-N 3.01Å; R399-E402 CarbonylContact O-C 3.6Å; R399-E402 PolarHBondContact O-N 2.83Å; R399-M403 WeakPolarHBondContact O-CG 3.43Å; R399-M403 PolarHBondContact O-N 3.3Å; R399-M403 VanDerWaalsContact O-N 3.08Å |
| 400 | V | 83.9 | Confident | 79.2 | Confident | 68 Ų | 68 | 113.1 Ų | 113.1 | 41% | 0.412 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.3 | -49.5 | 179.6 | 179.2 | 0 | 0 | 0 | 0 | 111.3 | Q397 K398 E402 M403 E404 | Q397-V400 PolarHBondContact O-N 2.7Å; K398-V400 VanDerWaalsContact C-N 3.29Å; K398-V400 PolarHBondContact O-N 2.82Å; V400-E402 PolarHBondContact O-N 3.39Å; V400-M403 WeakPolarHBondContact O-CA 3.48Å; V400-M403 WeakPolarHBondContact O-CB 3.39Å; V400-M403 PolarHBondContact O-N 2.83Å; V400-E404 PolarHBondContact O-N 3Å |
| 401 | L | 83.4 | Confident | 81 | Confident | 124 Ų | 124 | 109 Ų | 109 | 65% | 0.649 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -59.5 | -35.7 | 173.5 | -77.1 | 159.1 | 0 | 0 | 0 | 112 | M403 G405 | L401-M403 VanDerWaalsContact C-N 3.28Å; L401-M403 PolarHBondContact O-N 3.4Å; L401-G405 PolarHBondContact O-N 2.89Å |
| 402 | E | 83.3 | Confident | 82.4 | Confident | 79 Ų | 79 | 110.7 Ų | 110.7 | 37% | 0.369 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.8 | -13.3 | 172.8 | -74 | -173.5 | -154.2 | 0 | 0 | 114.2 | K398 R399 V400 K406 | K398-E402 WeakPolarHBondContact CE-OE1 3.4Å; K398-E402 IonicContact NZ-OE1 3.82Å; K398-E402 PolarHBondContact NZ-OE1 3.37Å; K398-E402 WeakPolarHBondContact O-CG 3.34Å; K398-E402 PolarHBondContact O-N 2.95Å; R399-E402 CarbonylContact O-C 3.6Å; R399-E402 PolarHBondContact O-N 2.83Å; V400-E402 PolarHBondContact O-N 3.39Å; E402-K406 VanDerWaalsContact O-CD 3.28Å; E402-K406 WeakPolarHBondContact O-CD 3.24Å; E402-K406 WeakPolarHBondContact O-CE 3.3Å; E402-K406 VanDerWaalsContact O-CG 3.26Å; E402-K406 WeakPolarHBondContact O-CG 3.49Å; E402-K406 PolarHBondContact O-NZ 2.96Å; E402-K406 IonicContact OE2-NZ 3.14Å |
| 403 | M | 83.1 | Confident | 83.2 | Confident | 106 Ų | 106 | 108.3 Ų | 108.3 | 52% | 0.522 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -88 | -47.2 | 169.5 | -71.5 | -171.1 | -52.8 | 0 | 0 | 110.9 | R399 V400 L401 G405 K406 D407 | R399-M403 WeakPolarHBondContact O-CG 3.43Å; R399-M403 PolarHBondContact O-N 3.3Å; R399-M403 VanDerWaalsContact O-N 3.08Å; V400-M403 WeakPolarHBondContact O-CA 3.48Å; V400-M403 WeakPolarHBondContact O-CB 3.39Å; V400-M403 PolarHBondContact O-N 2.83Å; L401-M403 VanDerWaalsContact C-N 3.28Å; L401-M403 PolarHBondContact O-N 3.4Å; M403-G405 VanDerWaalsContact C-N 3.25Å; M403-G405 PolarHBondContact O-N 2.92Å; M403-K406 CarbonylContact O-C 3.59Å; M403-K406 WeakPolarHBondContact O-CA 3.42Å; M403-K406 WeakPolarHBondContact O-CB 3.46Å; M403-K406 PolarHBondContact O-N 2.94Å; M403-D407 PolarHBondContact O-N 3.08Å |
| 404 | E | 78.7 | Confident | 84.3 | Confident | 110 Ų | 110 | 105.9 Ų | 105.9 | 51% | 0.514 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -54.1 | -42 | 178.6 | -66.7 | 173.7 | 157 | 0 | 0 | 111.9 | V400 K406 D407 E408 | V400-E404 PolarHBondContact O-N 3Å; E404-K406 VanDerWaalsContact C-N 3.3Å; E404-K406 PolarHBondContact O-N 2.99Å; E404-D407 PolarHBondContact O-N 3.01Å; E404-E408 PolarHBondContact O-N 3.37Å; E404-E408 VanDerWaalsContact O-N 3.11Å |
| 405 | G | 83.3 | Confident | 85.4 | Confident | 44 Ų | 44 | 101.8 Ų | 101.8 | 45% | 0.454 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.7 | -24.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | L401 M403 E409 | L401-G405 PolarHBondContact O-N 2.89Å; M403-G405 VanDerWaalsContact C-N 3.25Å; M403-G405 PolarHBondContact O-N 2.92Å; G405-E409 PolarHBondContact O-N 2.85Å |
| 406 | K | 88.6 | Confident | 86.2 | Confident | 114 Ų | 114 | 102.8 Ų | 102.8 | 50% | 0.496 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -86.5 | -34.9 | 176.2 | -68.1 | 177.5 | -171.6 | 107.6 | 0 | 111.8 | E402 M403 E404 E408 E409 L410 | E402-K406 VanDerWaalsContact O-CD 3.28Å; E402-K406 WeakPolarHBondContact O-CD 3.24Å; E402-K406 WeakPolarHBondContact O-CE 3.3Å; E402-K406 VanDerWaalsContact O-CG 3.26Å; E402-K406 WeakPolarHBondContact O-CG 3.49Å; E402-K406 PolarHBondContact O-NZ 2.96Å; E402-K406 IonicContact OE2-NZ 3.14Å; M403-K406 CarbonylContact O-C 3.59Å; M403-K406 WeakPolarHBondContact O-CA 3.42Å; M403-K406 WeakPolarHBondContact O-CB 3.46Å; M403-K406 PolarHBondContact O-N 2.94Å; E404-K406 VanDerWaalsContact C-N 3.3Å; E404-K406 PolarHBondContact O-N 2.99Å; K406-E408 VanDerWaalsContact C-N 3.31Å; K406-E409 CarbonylContact O-C 3.57Å; K406-E409 WeakPolarHBondContact O-CA 3.46Å; K406-E409 WeakPolarHBondContact O-CB 3.45Å; K406-E409 PolarHBondContact O-N 3.24Å; K406-E409 VanDerWaalsContact O-N 3.08Å; K406-L410 WeakPolarHBondContact O-CB 3.26Å; K406-L410 PolarHBondContact O-N 3.39Å |
| 407 | D | 86.4 | Confident | 86.8 | Confident | 91 Ų | 91 | 101.5 Ų | 101.5 | 49% | 0.487 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 173.5 | -67.6 | -29.4 | 0 | 0 | 0 | 110.5 | M403 E404 E409 L410 I411 | M403-D407 PolarHBondContact O-N 3.08Å; E404-D407 PolarHBondContact O-N 3.01Å; D407-E409 VanDerWaalsContact C-N 3.3Å; D407-E409 PolarHBondContact O-N 3.07Å; D407-L410 WeakPolarHBondContact O-CB 3.49Å; D407-L410 PolarHBondContact O-N 3.43Å; D407-I411 VanDerWaalsContact O-CG1 3.31Å; D407-I411 WeakPolarHBondContact O-CG1 3.31Å; D407-I411 PolarHBondContact O-N 3.23Å |
| 408 | E | 89.3 | Confident | 87.8 | Confident | 105 Ų | 105 | 98.8 Ų | 98.8 | 49% | 0.491 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.6 | -34.2 | 168.7 | -85 | -70.1 | 162.6 | 0 | 0 | 113.3 | E404 K406 R412 | E404-E408 PolarHBondContact O-N 3.37Å; E404-E408 VanDerWaalsContact O-N 3.11Å; K406-E408 VanDerWaalsContact C-N 3.31Å; E408-R412 VanDerWaalsContact C-NH1 3.3Å; E408-R412 WeakPolarHBondContact O-CG 3.33Å; E408-R412 VanDerWaalsContact O-CZ 3.27Å; E408-R412 PolarHBondContact O-N 3.42Å; E408-R412 VanDerWaalsContact O-N 3.17Å; E408-R412 PolarHBondContact O-NH1 2.99Å; E408-R412 IonicContact OE2-NH1 3.28Å |
| 409 | E | 89.6 | Confident | 88.5 | Confident | 108 Ų | 108 | 96.6 Ų | 96.6 | 51% | 0.505 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -72.5 | -39 | 172.5 | -169.5 | 169.2 | -155.2 | 0 | 0 | 112.4 | G405 K406 D407 R412 M413 | G405-E409 PolarHBondContact O-N 2.85Å; K406-E409 CarbonylContact O-C 3.57Å; K406-E409 WeakPolarHBondContact O-CA 3.46Å; K406-E409 WeakPolarHBondContact O-CB 3.45Å; K406-E409 PolarHBondContact O-N 3.24Å; K406-E409 VanDerWaalsContact O-N 3.08Å; D407-E409 VanDerWaalsContact C-N 3.3Å; D407-E409 PolarHBondContact O-N 3.07Å; E409-R412 VanDerWaalsContact CA-NH2 3.31Å; E409-R412 PolarHBondContact O-N 2.89Å; E409-M413 HydrophobicContact CG-CE 4.44Å; E409-M413 WeakPolarHBondContact O-CG 3.43Å; E409-M413 PolarHBondContact O-N 3.47Å |
| 410 | L | 91.1 | Very high | 89 | Confident | 96 Ų | 96 | 95.7 Ų | 95.7 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 174.6 | -170.1 | 155.8 | 0 | 0 | 0 | 111 | K406 D407 M413 E414 | K406-L410 WeakPolarHBondContact O-CB 3.26Å; K406-L410 PolarHBondContact O-N 3.39Å; D407-L410 WeakPolarHBondContact O-CB 3.49Å; D407-L410 PolarHBondContact O-N 3.43Å; L410-M413 PolarHBondContact O-N 2.82Å; L410-E414 WeakPolarHBondContact O-CB 3.38Å; L410-E414 PolarHBondContact O-N 3.31Å |
| 411 | I | 90.1 | Very high | 89.4 | Confident | 81 Ų | 81 | 97.4 Ų | 97.4 | 42% | 0.415 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 173.4 | -68.8 | 163.4 | 0 | 0 | 0 | 110.4 | D407 M413 E414 D415 | D407-I411 VanDerWaalsContact O-CG1 3.31Å; D407-I411 WeakPolarHBondContact O-CG1 3.31Å; D407-I411 PolarHBondContact O-N 3.23Å; I411-M413 VanDerWaalsContact C-N 3.3Å; I411-M413 PolarHBondContact O-N 3.21Å; I411-E414 PolarHBondContact O-N 2.88Å; I411-E414 VanDerWaalsContact O-N 3.11Å; I411-D415 PolarHBondContact O-N 3.46Å; I411-D415 VanDerWaalsContact O-OD1 3.09Å |
| 412 | R | 92 | Very high | 90 | Very high | 124 Ų | 124 | 96.2 Ų | 96.2 | 47% | 0.468 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.6 | -36.8 | 176.4 | -72.4 | -174.6 | -58.6 | -86.4 | 3.6 | 113 | E408 E409 Q416 | E408-R412 VanDerWaalsContact C-NH1 3.3Å; E408-R412 WeakPolarHBondContact O-CG 3.33Å; E408-R412 VanDerWaalsContact O-CZ 3.27Å; E408-R412 PolarHBondContact O-N 3.42Å; E408-R412 VanDerWaalsContact O-N 3.17Å; E408-R412 PolarHBondContact O-NH1 2.99Å; E408-R412 IonicContact OE2-NH1 3.28Å; E409-R412 VanDerWaalsContact CA-NH2 3.31Å; E409-R412 PolarHBondContact O-N 2.89Å; R412-Q416 WeakPolarHBondContact O-CG 3.29Å; R412-Q416 PolarHBondContact O-N 2.87Å |
| 413 | M | 91.9 | Very high | 90.6 | Very high | 99 Ų | 99 | 99.1 Ų | 99.1 | 49% | 0.488 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.2 | -38.2 | 173.2 | -72.1 | -170.5 | -67.6 | 0 | 0 | 112.2 | E409 L410 I411 Q416 C417 | E409-M413 HydrophobicContact CG-CE 4.44Å; E409-M413 WeakPolarHBondContact O-CG 3.43Å; E409-M413 PolarHBondContact O-N 3.47Å; L410-M413 PolarHBondContact O-N 2.82Å; I411-M413 VanDerWaalsContact C-N 3.3Å; I411-M413 PolarHBondContact O-N 3.21Å; M413-Q416 PolarHBondContact O-N 3Å; M413-C417 PolarHBondContact O-N 2.87Å; M413-C417 PolarHBondContact O-SG 3.45Å |
| 414 | E | 91.7 | Very high | 91.1 | Very high | 94 Ų | 94 | 99.1 Ų | 99.1 | 44% | 0.439 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64 | -45.3 | 176 | -155.3 | -148.1 | 121.2 | 0 | 0 | 110.6 | L410 I411 Q416 C417 R418 | L410-E414 WeakPolarHBondContact O-CB 3.38Å; L410-E414 PolarHBondContact O-N 3.31Å; I411-E414 PolarHBondContact O-N 2.88Å; I411-E414 VanDerWaalsContact O-N 3.11Å; E414-Q416 VanDerWaalsContact C-N 3.33Å; E414-Q416 PolarHBondContact O-N 3.46Å; E414-C417 CarbonylContact O-C 3.58Å; E414-C417 WeakPolarHBondContact O-CA 3.29Å; E414-C417 WeakPolarHBondContact O-CB 3.42Å; E414-C417 PolarHBondContact O-N 2.82Å; E414-R418 WeakPolarHBondContact O-CG 3.37Å; E414-R418 PolarHBondContact O-N 3.4Å; E414-R418 WeakPolarHBondContact OE1-CD 3.4Å; E414-R418 IonicContact OE1-CZ 2.73Å; E414-R418 IonicContact OE1-NE 3.16Å; E414-R418 IonicContact OE1-NH1 3.16Å; E414-R418 PolarHBondContact OE1-NH1 2.94Å; E414-R418 IonicContact OE2-NH1 3.42Å |
| 415 | D | 92.8 | Very high | 91.8 | Very high | 70 Ų | 70 | 98.6 Ų | 98.6 | 37% | 0.374 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -54.4 | -46.2 | 173.1 | -86.2 | 58.7 | 0 | 0 | 0 | 112.1 | I411 R418 D419 | I411-D415 PolarHBondContact O-N 3.46Å; I411-D415 VanDerWaalsContact O-OD1 3.09Å; D415-R418 PolarHBondContact O-N 3.48Å; D415-R418 IonicContact OD1-CZ 3.93Å; D415-R418 VanDerWaalsContact OD1-CZ 3.28Å; D415-R418 IonicContact OD1-NH1 2.7Å; D415-R418 PolarHBondContact OD1-NH1 3.4Å; D415-R418 VanDerWaalsContact OD1-NH1 3.13Å; D415-R418 IonicContact OD1-NH2 3.13Å; D415-R418 PolarHBondContact OD1-NH2 2.88Å; D415-R418 IonicContact OD2-NH2 2.72Å; D415-R418 PolarHBondContact OD2-NH2 3.47Å; D415-D419 PolarHBondContact O-N 3.2Å |
| 416 | Q | 93.8 | Very high | 92.3 | Very high | 127 Ų | 127 | 103.1 Ų | 103.1 | 59% | 0.593 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.9 | -41.2 | 174 | -71.2 | 174.2 | 16.3 | 0 | 0 | 112.3 | R412 M413 E414 D419 L420 | R412-Q416 WeakPolarHBondContact O-CG 3.29Å; R412-Q416 PolarHBondContact O-N 2.87Å; M413-Q416 PolarHBondContact O-N 3Å; E414-Q416 VanDerWaalsContact C-N 3.33Å; E414-Q416 PolarHBondContact O-N 3.46Å; Q416-D419 PolarHBondContact O-N 2.95Å; Q416-L420 WeakPolarHBondContact O-CB 3.42Å; Q416-L420 WeakPolarHBondContact O-CG 3.43Å; Q416-L420 PolarHBondContact O-N 3.31Å |
| 417 | C | 90.9 | Very high | 92.5 | Very high | 79 Ų | 79 | 103.2 Ų | 103.2 | 53% | 0.534 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 175.1 | -68.8 | 0 | 0 | 0 | 0 | 112 | M413 E414 D419 L420 N421 | M413-C417 PolarHBondContact O-N 2.87Å; M413-C417 PolarHBondContact O-SG 3.45Å; E414-C417 CarbonylContact O-C 3.58Å; E414-C417 WeakPolarHBondContact O-CA 3.29Å; E414-C417 WeakPolarHBondContact O-CB 3.42Å; E414-C417 PolarHBondContact O-N 2.82Å; C417-D419 VanDerWaalsContact C-N 3.33Å; C417-D419 PolarHBondContact O-N 3.41Å; C417-L420 PolarHBondContact O-N 3.2Å; C417-N421 WeakPolarHBondContact O-CB 3.31Å; C417-N421 PolarHBondContact O-N 2.94Å |
| 418 | R | 95.6 | Very high | 92.9 | Very high | 98 Ų | 98 | 101.9 Ų | 101.9 | 37% | 0.37 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.6 | -38.1 | 175.2 | -65.6 | -165.7 | -48.6 | -91.1 | -1.1 | 111 | E414 D415 N421 K422 | E414-R418 WeakPolarHBondContact O-CG 3.37Å; E414-R418 PolarHBondContact O-N 3.4Å; E414-R418 WeakPolarHBondContact OE1-CD 3.4Å; E414-R418 IonicContact OE1-CZ 2.73Å; E414-R418 IonicContact OE1-NE 3.16Å; E414-R418 IonicContact OE1-NH1 3.16Å; E414-R418 PolarHBondContact OE1-NH1 2.94Å; E414-R418 IonicContact OE2-NH1 3.42Å; D415-R418 PolarHBondContact O-N 3.48Å; D415-R418 IonicContact OD1-CZ 3.93Å; D415-R418 VanDerWaalsContact OD1-CZ 3.28Å; D415-R418 IonicContact OD1-NH1 2.7Å; D415-R418 PolarHBondContact OD1-NH1 3.4Å; D415-R418 VanDerWaalsContact OD1-NH1 3.13Å; D415-R418 IonicContact OD1-NH2 3.13Å; D415-R418 PolarHBondContact OD1-NH2 2.88Å; D415-R418 IonicContact OD2-NH2 2.72Å; D415-R418 PolarHBondContact OD2-NH2 3.47Å; R418-N421 PolarHBondContact O-N 3.31Å; R418-K422 VanDerWaalsContact O-CG 3.26Å; R418-K422 WeakPolarHBondContact O-CG 3.31Å; R418-K422 PolarHBondContact O-N 2.98Å |
| 419 | D | 94.4 | Very high | 93.2 | Very high | 81 Ų | 81 | 102.1 Ų | 102.1 | 43% | 0.433 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -75.5 | -35.2 | 176.8 | -94.1 | 18.7 | 0 | 0 | 0 | 114.1 | D415 Q416 C417 N421 K422 K423 | D415-D419 PolarHBondContact O-N 3.2Å; Q416-D419 PolarHBondContact O-N 2.95Å; C417-D419 VanDerWaalsContact C-N 3.33Å; C417-D419 PolarHBondContact O-N 3.41Å; D419-N421 VanDerWaalsContact C-N 3.34Å; D419-K422 PolarHBondContact O-N 3.44Å; D419-K422 WeakPolarHBondContact OD1-CD 3.3Å; D419-K422 WeakPolarHBondContact OD1-CE 3.4Å; D419-K422 IonicContact OD1-NZ 2.64Å; D419-K422 PolarHBondContact OD1-NZ 2.97Å; D419-K423 WeakPolarHBondContact O-CG 3.45Å; D419-K423 PolarHBondContact O-N 3.01Å |
| 420 | L | 94.6 | Very high | 93.5 | Very high | 111 Ų | 111 | 102.6 Ų | 102.6 | 58% | 0.581 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.4 | -42 | 168.4 | -74.9 | 170.9 | 0 | 0 | 0 | 111 | Q416 C417 K423 L424 | Q416-L420 WeakPolarHBondContact O-CB 3.42Å; Q416-L420 WeakPolarHBondContact O-CG 3.43Å; Q416-L420 PolarHBondContact O-N 3.31Å; C417-L420 PolarHBondContact O-N 3.2Å; L420-K423 WeakPolarHBondContact O-CB 3.32Å; L420-K423 PolarHBondContact O-N 2.74Å; L420-K423 VanDerWaalsContact O-N 3.15Å; L420-L424 PolarHBondContact O-N 2.62Å |
| 421 | N | 93 | Very high | 93.6 | Very high | 104 Ų | 104 | 101.3 Ų | 101.3 | 56% | 0.556 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.1 | -42 | 175.8 | -165.6 | 39.3 | 0 | 0 | 0 | 111.8 | C417 R418 D419 K423 L424 E425 | C417-N421 WeakPolarHBondContact O-CB 3.31Å; C417-N421 PolarHBondContact O-N 2.94Å; R418-N421 PolarHBondContact O-N 3.31Å; D419-N421 VanDerWaalsContact C-N 3.34Å; N421-K423 VanDerWaalsContact C-N 3.27Å; N421-K423 PolarHBondContact O-N 2.68Å; N421-L424 PolarHBondContact O-N 2.93Å; N421-E425 WeakPolarHBondContact O-CB 3.34Å; N421-E425 PolarHBondContact O-N 2.81Å |
| 422 | K | 95.4 | Very high | 93.9 | Very high | 99 Ų | 99 | 106.7 Ų | 106.7 | 43% | 0.43 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.1 | -32.2 | 172.1 | -69.8 | 167 | -152 | 164.1 | 0 | 113.1 | R418 D419 K426 | R418-K422 VanDerWaalsContact O-CG 3.26Å; R418-K422 WeakPolarHBondContact O-CG 3.31Å; R418-K422 PolarHBondContact O-N 2.98Å; D419-K422 PolarHBondContact O-N 3.44Å; D419-K422 WeakPolarHBondContact OD1-CD 3.3Å; D419-K422 WeakPolarHBondContact OD1-CE 3.4Å; D419-K422 IonicContact OD1-NZ 2.64Å; D419-K422 PolarHBondContact OD1-NZ 2.97Å; K422-K426 WeakPolarHBondContact O-CD 3.48Å; K422-K426 VanDerWaalsContact O-CG 3.3Å; K422-K426 WeakPolarHBondContact O-CG 3.32Å; K422-K426 PolarHBondContact O-N 2.89Å |
| 423 | K | 95.9 | Very high | 94.1 | Very high | 140 Ų | 140 | 104.6 Ų | 104.6 | 61% | 0.609 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -71.3 | -46.7 | 173.6 | -72.5 | 170.7 | -176.2 | 175.6 | 0 | 110.6 | D419 L420 N421 E425 K426 E427 | D419-K423 WeakPolarHBondContact O-CG 3.45Å; D419-K423 PolarHBondContact O-N 3.01Å; L420-K423 WeakPolarHBondContact O-CB 3.32Å; L420-K423 PolarHBondContact O-N 2.74Å; L420-K423 VanDerWaalsContact O-N 3.15Å; N421-K423 VanDerWaalsContact C-N 3.27Å; N421-K423 PolarHBondContact O-N 2.68Å; K423-E425 VanDerWaalsContact C-N 3.31Å; K423-E425 PolarHBondContact O-N 3.24Å; K423-K426 WeakPolarHBondContact O-CB 3.32Å; K423-K426 PolarHBondContact O-N 2.93Å; K423-K426 VanDerWaalsContact O-N 3.08Å; K423-E427 WeakPolarHBondContact O-CB 3.39Å; K423-E427 PolarHBondContact O-N 3.33Å |
| 424 | L | 94.3 | Very high | 94.3 | Very high | 106 Ų | 106 | 104.7 Ų | 104.7 | 56% | 0.555 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61 | -37 | 176 | -175.8 | 61.7 | 0 | 0 | 0 | 112.4 | L420 N421 K426 E427 T428 | L420-L424 PolarHBondContact O-N 2.62Å; N421-L424 PolarHBondContact O-N 2.93Å; L424-K426 VanDerWaalsContact C-N 3.31Å; L424-K426 PolarHBondContact O-N 3.31Å; L424-E427 PolarHBondContact O-N 3.28Å; L424-T428 HydrophobicContact CD1-CG2 4.36Å; L424-T428 WeakPolarHBondContact O-CB 3.39Å; L424-T428 WeakPolarHBondContact O-CG2 3.47Å; L424-T428 PolarHBondContact O-N 2.67Å; L424-T428 PolarHBondContact O-OG1 3.29Å |
| 425 | E | 93.6 | Very high | 94.5 | Very high | 100 Ų | 100 | 105 Ų | 105 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.4 | -29 | 175.3 | -154.4 | -154.4 | 160 | 0 | 0 | 112.6 | N421 K423 T428 K429 | N421-E425 WeakPolarHBondContact O-CB 3.34Å; N421-E425 PolarHBondContact O-N 2.81Å; K423-E425 VanDerWaalsContact C-N 3.31Å; K423-E425 PolarHBondContact O-N 3.24Å; E425-T428 WeakPolarHBondContact CA-OG1 3.46Å; E425-T428 PolarHBondContact O-OG1 3.44Å; E425-K429 VanDerWaalsContact CD-NZ 3.28Å; E425-K429 VanDerWaalsContact O-CD 3.26Å; E425-K429 WeakPolarHBondContact O-CD 3.28Å; E425-K429 WeakPolarHBondContact O-CG 3.4Å; E425-K429 PolarHBondContact O-N 3.06Å; E425-K429 VanDerWaalsContact OE1-CE 3.32Å; E425-K429 WeakPolarHBondContact OE1-CE 3.35Å; E425-K429 IonicContact OE1-NZ 3.37Å; E425-K429 PolarHBondContact OE1-NZ 3.47Å; E425-K429 IonicContact OE2-NZ 3.9Å |
| 426 | K | 94.4 | Very high | 94.7 | Very high | 139 Ų | 139 | 104.6 Ų | 104.6 | 60% | 0.604 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -77.4 | -44.2 | 172.4 | -72.2 | 169.2 | -177 | 178.9 | 0 | 111.4 | K422 K423 L424 K429 Q430 | K422-K426 WeakPolarHBondContact O-CD 3.48Å; K422-K426 VanDerWaalsContact O-CG 3.3Å; K422-K426 WeakPolarHBondContact O-CG 3.32Å; K422-K426 PolarHBondContact O-N 2.89Å; K423-K426 WeakPolarHBondContact O-CB 3.32Å; K423-K426 PolarHBondContact O-N 2.93Å; K423-K426 VanDerWaalsContact O-N 3.08Å; L424-K426 VanDerWaalsContact C-N 3.31Å; L424-K426 PolarHBondContact O-N 3.31Å; K426-K429 PolarHBondContact O-N 2.92Å; K426-Q430 WeakPolarHBondContact O-CG 3.48Å; K426-Q430 PolarHBondContact O-N 3.26Å |
| 427 | E | 92.8 | Very high | 94.8 | Very high | 116 Ų | 116 | 104.3 Ų | 104.3 | 54% | 0.542 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 178.5 | -168.4 | 60 | -142.8 | 0 | 0 | 111 | K423 L424 K429 Q430 S431 | K423-E427 WeakPolarHBondContact O-CB 3.39Å; K423-E427 PolarHBondContact O-N 3.33Å; L424-E427 PolarHBondContact O-N 3.28Å; E427-K429 PolarHBondContact O-N 2.79Å; E427-Q430 PolarHBondContact O-N 3.45Å; E427-S431 WeakPolarHBondContact O-CB 3.24Å; E427-S431 PolarHBondContact O-N 3.01Å |
| 428 | T | 93.9 | Very high | 95.1 | Very high | 62 Ų | 62 | 104.1 Ų | 104.1 | 38% | 0.38 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 174.3 | 48.1 | 0 | 0 | 0 | 0 | 111.9 | L424 E425 Q430 S431 W432 | L424-T428 HydrophobicContact CD1-CG2 4.36Å; L424-T428 WeakPolarHBondContact O-CB 3.39Å; L424-T428 WeakPolarHBondContact O-CG2 3.47Å; L424-T428 PolarHBondContact O-N 2.67Å; L424-T428 PolarHBondContact O-OG1 3.29Å; E425-T428 WeakPolarHBondContact CA-OG1 3.46Å; E425-T428 PolarHBondContact O-OG1 3.44Å; T428-Q430 PolarHBondContact O-N 2.96Å; T428-S431 CarbonylContact O-C 3.59Å; T428-S431 WeakPolarHBondContact O-CB 3.34Å; T428-S431 PolarHBondContact O-N 2.82Å; T428-W432 PolarHBondContact O-N 2.91Å |
| 429 | K | 95.3 | Very high | 95.1 | Very high | 111 Ų | 111 | 102.1 Ų | 102.1 | 48% | 0.483 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 173.7 | -73.9 | 168.5 | -168.3 | 171.1 | 0 | 112.6 | E425 K426 E427 W432 C433 | E425-K429 VanDerWaalsContact CD-NZ 3.28Å; E425-K429 VanDerWaalsContact O-CD 3.26Å; E425-K429 WeakPolarHBondContact O-CD 3.28Å; E425-K429 WeakPolarHBondContact O-CG 3.4Å; E425-K429 PolarHBondContact O-N 3.06Å; E425-K429 VanDerWaalsContact OE1-CE 3.32Å; E425-K429 WeakPolarHBondContact OE1-CE 3.35Å; E425-K429 IonicContact OE1-NZ 3.37Å; E425-K429 PolarHBondContact OE1-NZ 3.47Å; E425-K429 IonicContact OE2-NZ 3.9Å; K426-K429 PolarHBondContact O-N 2.92Å; E427-K429 PolarHBondContact O-N 2.79Å; K429-W432 PolarHBondContact O-N 3.49Å; K429-C433 PolarHBondContact O-N 3.46Å; K429-C433 PolarHBondContact O-SG 2.91Å; K429-C433 VanDerWaalsContact O-SG 3.39Å |
| 430 | Q | 95.6 | Very high | 95.3 | Very high | 117 Ų | 117 | 105.1 Ų | 105.1 | 55% | 0.547 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 173.2 | -71.6 | -178.3 | -0.7 | 0 | 0 | 111.5 | K426 E427 T428 W432 C433 L434 | K426-Q430 WeakPolarHBondContact O-CG 3.48Å; K426-Q430 PolarHBondContact O-N 3.26Å; E427-Q430 PolarHBondContact O-N 3.45Å; T428-Q430 PolarHBondContact O-N 2.96Å; Q430-W432 VanDerWaalsContact C-N 3.31Å; Q430-W432 PolarHBondContact O-N 2.82Å; Q430-C433 PolarHBondContact O-N 2.7Å; Q430-L434 WeakPolarHBondContact O-CG 3.29Å; Q430-L434 PolarHBondContact O-N 2.97Å |
| 431 | S | 93.8 | Very high | 95.4 | Very high | 70 Ų | 70 | 104.5 Ų | 104.5 | 49% | 0.49 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61 | -36.5 | 172.7 | -175.1 | 0 | 0 | 0 | 0 | 112.5 | E427 T428 K435 | E427-S431 WeakPolarHBondContact O-CB 3.24Å; E427-S431 PolarHBondContact O-N 3.01Å; T428-S431 CarbonylContact O-C 3.59Å; T428-S431 WeakPolarHBondContact O-CB 3.34Å; T428-S431 PolarHBondContact O-N 2.82Å; S431-K435 WeakPolarHBondContact O-CB 3.48Å; S431-K435 PolarHBondContact O-N 3.31Å |
| 432 | W | 96.4 | Very high | 95.5 | Very high | 194 Ų | 194 | 103.2 Ų | 103.2 | 74% | 0.735 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.6 | -40.5 | 172.8 | -83 | 107.7 | 0 | 0 | 0 | 112.4 | T428 K429 Q430 K435 A436 | T428-W432 PolarHBondContact O-N 2.91Å; K429-W432 PolarHBondContact O-N 3.49Å; Q430-W432 VanDerWaalsContact C-N 3.31Å; Q430-W432 PolarHBondContact O-N 2.82Å; W432-K435 PolarHBondContact O-N 3.27Å; W432-A436 PolarHBondContact O-N 2.87Å |
| 433 | C | 95.2 | Very high | 95.6 | Very high | 80 Ų | 80 | 104.6 Ų | 104.6 | 54% | 0.541 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.4 | -50.2 | 174.1 | -66.7 | 0 | 0 | 0 | 0 | 111.7 | K429 Q430 K435 A436 E437 | K429-C433 PolarHBondContact O-N 3.46Å; K429-C433 PolarHBondContact O-SG 2.91Å; K429-C433 VanDerWaalsContact O-SG 3.39Å; Q430-C433 PolarHBondContact O-N 2.7Å; C433-K435 PolarHBondContact O-N 3.3Å; C433-A436 WeakPolarHBondContact O-CB 3.39Å; C433-A436 PolarHBondContact O-N 3.38Å; C433-A436 VanDerWaalsContact O-N 3.07Å; C433-E437 PolarHBondContact O-N 3.15Å |
| 434 | L | 96.3 | Very high | 95.7 | Very high | 100 Ų | 100 | 106.2 Ų | 106.2 | 52% | 0.524 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60 | -36.1 | 176.1 | -70.6 | 170.7 | 0 | 0 | 0 | 111.7 | Q430 E437 V438 | Q430-L434 WeakPolarHBondContact O-CG 3.29Å; Q430-L434 PolarHBondContact O-N 2.97Å; L434-E437 PolarHBondContact O-N 2.86Å; L434-V438 WeakPolarHBondContact O-CB 3.47Å; L434-V438 VanDerWaalsContact O-CG2 3.29Å; L434-V438 WeakPolarHBondContact O-CG2 3.46Å; L434-V438 PolarHBondContact O-N 3.07Å |
| 435 | K | 97.3 | Very high | 95.9 | Very high | 102 Ų | 102 | 104.6 Ų | 104.6 | 44% | 0.443 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 174.1 | 179.2 | 55 | 178.7 | 145.7 | 0 | 111.7 | S431 W432 C433 V438 D439 | S431-K435 WeakPolarHBondContact O-CB 3.48Å; S431-K435 PolarHBondContact O-N 3.31Å; W432-K435 PolarHBondContact O-N 3.27Å; C433-K435 PolarHBondContact O-N 3.3Å; K435-V438 PolarHBondContact O-N 3.38Å; K435-D439 WeakPolarHBondContact CE-OD2 3.48Å; K435-D439 IonicContact NZ-OD1 3.35Å; K435-D439 PolarHBondContact NZ-OD1 2.83Å; K435-D439 IonicContact NZ-OD2 3.91Å; K435-D439 PolarHBondContact NZ-OD2 3.37Å; K435-D439 WeakPolarHBondContact O-CB 3.39Å; K435-D439 VanDerWaalsContact O-CG 3.25Å; K435-D439 PolarHBondContact O-N 3.06Å |
| 436 | A | 95.8 | Very high | 96 | Very high | 60 Ų | 60 | 102.3 Ų | 102.3 | 50% | 0.496 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.1 | -39.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | W432 C433 D439 Q440 | W432-A436 PolarHBondContact O-N 2.87Å; C433-A436 WeakPolarHBondContact O-CB 3.39Å; C433-A436 PolarHBondContact O-N 3.38Å; C433-A436 VanDerWaalsContact O-N 3.07Å; A436-D439 PolarHBondContact O-N 3.24Å; A436-Q440 WeakPolarHBondContact O-CB 3.48Å; A436-Q440 PolarHBondContact O-N 3.25Å |
| 437 | E | 96.9 | Very high | 96.1 | Very high | 121 Ų | 121 | 100.1 Ų | 100.1 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.9 | -42.7 | 174.7 | -71.2 | -180 | -173.5 | 0 | 0 | 112.3 | C433 L434 Q440 L441 | C433-E437 PolarHBondContact O-N 3.15Å; L434-E437 PolarHBondContact O-N 2.86Å; E437-Q440 PolarHBondContact O-N 2.73Å; E437-L441 WeakPolarHBondContact O-CB 3.44Å; E437-L441 PolarHBondContact O-N 2.95Å |
| 438 | V | 96.3 | Very high | 96.3 | Very high | 76 Ų | 76 | 99.4 Ų | 99.4 | 46% | 0.461 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 173.2 | 165.9 | 0 | 0 | 0 | 0 | 110.9 | L434 K435 L441 N442 | L434-V438 WeakPolarHBondContact O-CB 3.47Å; L434-V438 VanDerWaalsContact O-CG2 3.29Å; L434-V438 WeakPolarHBondContact O-CG2 3.46Å; L434-V438 PolarHBondContact O-N 3.07Å; K435-V438 PolarHBondContact O-N 3.38Å; V438-L441 PolarHBondContact O-N 3.47Å; V438-N442 WeakPolarHBondContact O-CB 3.26Å; V438-N442 PolarHBondContact O-N 2.96Å; V438-N442 PolarHBondContact O-ND2 2.99Å; V438-N442 VanDerWaalsContact O-ND2 3.16Å |
| 439 | D | 96.3 | Very high | 96.4 | Very high | 55 Ų | 55 | 101.6 Ų | 101.6 | 29% | 0.294 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.9 | -34.2 | 178 | -70.5 | -21.9 | 0 | 0 | 0 | 111.9 | K435 A436 N442 H443 | K435-D439 WeakPolarHBondContact CE-OD2 3.48Å; K435-D439 IonicContact NZ-OD1 3.35Å; K435-D439 PolarHBondContact NZ-OD1 2.83Å; K435-D439 IonicContact NZ-OD2 3.91Å; K435-D439 PolarHBondContact NZ-OD2 3.37Å; K435-D439 WeakPolarHBondContact O-CB 3.39Å; K435-D439 VanDerWaalsContact O-CG 3.25Å; K435-D439 PolarHBondContact O-N 3.06Å; A436-D439 PolarHBondContact O-N 3.24Å; D439-N442 PolarHBondContact O-N 3.28Å; D439-H443 PolarHBondContact O-N 3.4Å; D439-H443 PolarHBondContact O-ND1 2.88Å |
| 440 | Q | 97.7 | Very high | 96.5 | Very high | 144 Ų | 144 | 100 Ų | 100 | 67% | 0.673 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66 | -40.3 | 170.6 | -171.8 | -178.9 | 17.4 | 0 | 0 | 112.1 | A436 E437 H443 R444 | A436-Q440 WeakPolarHBondContact O-CB 3.48Å; A436-Q440 PolarHBondContact O-N 3.25Å; E437-Q440 PolarHBondContact O-N 2.73Å; Q440-H443 PolarHBondContact O-N 2.65Å; Q440-R444 PolarHBondContact O-N 2.94Å |
| 441 | L | 97.2 | Very high | 96.5 | Very high | 99 Ų | 99 | 99.9 Ų | 99.9 | 52% | 0.518 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 175.3 | -177.2 | 61.5 | 0 | 0 | 0 | 111.2 | E437 V438 R444 I445 | E437-L441 WeakPolarHBondContact O-CB 3.44Å; E437-L441 PolarHBondContact O-N 2.95Å; V438-L441 PolarHBondContact O-N 3.47Å; L441-R444 CarbonylContact O-C 3.58Å; L441-R444 WeakPolarHBondContact O-CB 3.34Å; L441-R444 PolarHBondContact O-N 3.26Å; L441-I445 HydrophobicContact CG-CD1 4.19Å; L441-I445 WeakPolarHBondContact O-CG1 3.19Å; L441-I445 PolarHBondContact O-N 2.72Å |
| 442 | N | 96 | Very high | 96.6 | Very high | 77 Ų | 77 | 103 Ų | 103 | 41% | 0.412 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 174.8 | -70.8 | -29.4 | 0 | 0 | 0 | 111.7 | V438 D439 R444 I445 T446 | V438-N442 WeakPolarHBondContact O-CB 3.26Å; V438-N442 PolarHBondContact O-N 2.96Å; V438-N442 PolarHBondContact O-ND2 2.99Å; V438-N442 VanDerWaalsContact O-ND2 3.16Å; D439-N442 PolarHBondContact O-N 3.28Å; N442-R444 VanDerWaalsContact C-N 3.33Å; N442-R444 PolarHBondContact O-N 3.34Å; N442-I445 PolarHBondContact O-N 3.47Å; N442-T446 PolarHBondContact O-N 3.17Å |
| 443 | H | 97.6 | Very high | 96.6 | Very high | 127 Ų | 127 | 98.6 Ų | 98.6 | 59% | 0.588 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -56.9 | -47.6 | 173.1 | -77.8 | 79.6 | 0 | 0 | 0 | 111.2 | D439 Q440 I445 T446 D447 | D439-H443 PolarHBondContact O-N 3.4Å; D439-H443 PolarHBondContact O-ND1 2.88Å; Q440-H443 PolarHBondContact O-N 2.65Å; H443-I445 VanDerWaalsContact C-N 3.3Å; H443-I445 PolarHBondContact O-N 3.5Å; H443-T446 PolarHBondContact O-N 3.38Å; H443-T446 VanDerWaalsContact O-N 3.11Å; H443-T446 PolarHBondContact O-OG1 2.97Å; H443-D447 PolarHBondContact O-N 2.86Å |
| 444 | R | 97.9 | Very high | 96.6 | Very high | 175 Ų | 175 | 97.1 Ų | 97.1 | 66% | 0.66 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.2 | -33.2 | 177.9 | -173.1 | 175.5 | -178.3 | 172.4 | 1.2 | 113.2 | Q440 L441 N442 L448 | Q440-R444 PolarHBondContact O-N 2.94Å; L441-R444 CarbonylContact O-C 3.58Å; L441-R444 WeakPolarHBondContact O-CB 3.34Å; L441-R444 PolarHBondContact O-N 3.26Å; N442-R444 VanDerWaalsContact C-N 3.33Å; N442-R444 PolarHBondContact O-N 3.34Å; R444-L448 WeakPolarHBondContact O-CG 3.5Å; R444-L448 PolarHBondContact O-N 2.87Å; R444-L448 VanDerWaalsContact O-N 3.12Å |
| 445 | I | 97.1 | Very high | 96.5 | Very high | 72 Ų | 72 | 99 Ų | 99 | 37% | 0.369 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.3 | -50.4 | 171.6 | -70.4 | 163.9 | 0 | 0 | 0 | 109.5 | L441 N442 H443 D447 L448 E449 | L441-I445 HydrophobicContact CG-CD1 4.19Å; L441-I445 WeakPolarHBondContact O-CG1 3.19Å; L441-I445 PolarHBondContact O-N 2.72Å; N442-I445 PolarHBondContact O-N 3.47Å; H443-I445 VanDerWaalsContact C-N 3.3Å; H443-I445 PolarHBondContact O-N 3.5Å; I445-D447 PolarHBondContact O-N 3.48Å; I445-L448 WeakPolarHBondContact O-CA 3.28Å; I445-L448 WeakPolarHBondContact O-CB 3.44Å; I445-L448 PolarHBondContact O-N 2.94Å; I445-E449 HydrophobicContact CG2-CG 4.37Å; I445-E449 WeakPolarHBondContact O-CG 3.49Å; I445-E449 PolarHBondContact O-N 3Å |
| 446 | T | 96.3 | Very high | 96.5 | Very high | 51 Ų | 51 | 96.8 Ų | 96.8 | 31% | 0.313 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.1 | -30.1 | 178.7 | 71.6 | 0 | 0 | 0 | 0 | 113.7 | N442 H443 E449 K450 | N442-T446 PolarHBondContact O-N 3.17Å; H443-T446 PolarHBondContact O-N 3.38Å; H443-T446 VanDerWaalsContact O-N 3.11Å; H443-T446 PolarHBondContact O-OG1 2.97Å; T446-E449 WeakPolarHBondContact CA-OE2 3.35Å; T446-K450 WeakPolarHBondContact O-CD 3.14Å; T446-K450 WeakPolarHBondContact O-CE 3.33Å; T446-K450 WeakPolarHBondContact O-CG 3.37Å; T446-K450 PolarHBondContact O-N 2.91Å; T446-K450 PolarHBondContact OG1-NZ 3.44Å; T446-K450 VanDerWaalsContact OG1-NZ 3.13Å |
| 447 | D | 96.1 | Very high | 96.6 | Very high | 93 Ų | 93 | 97.9 Ų | 97.9 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -75 | -28.9 | 175.1 | -70.3 | -22.7 | 0 | 0 | 0 | 112.8 | H443 I445 K450 L451 | H443-D447 PolarHBondContact O-N 2.86Å; I445-D447 PolarHBondContact O-N 3.48Å; D447-K450 IonicContact OD1-NZ 3.7Å; D447-K450 PolarHBondContact OD1-NZ 3.44Å; D447-L451 WeakPolarHBondContact O-CB 3.48Å; D447-L451 PolarHBondContact O-N 2.76Å |
| 448 | L | 97.1 | Very high | 96.5 | Very high | 101 Ų | 101 | 95.3 Ų | 95.3 | 53% | 0.529 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -72.7 | -39.9 | 169.7 | -71.6 | 168.7 | 0 | 0 | 0 | 111.6 | R444 I445 L451 E452 | R444-L448 WeakPolarHBondContact O-CG 3.5Å; R444-L448 PolarHBondContact O-N 2.87Å; R444-L448 VanDerWaalsContact O-N 3.12Å; I445-L448 WeakPolarHBondContact O-CA 3.28Å; I445-L448 WeakPolarHBondContact O-CB 3.44Å; I445-L448 PolarHBondContact O-N 2.94Å; L448-L451 CarbonylContact O-C 3.56Å; L448-L451 WeakPolarHBondContact O-CB 3.33Å; L448-L451 PolarHBondContact O-N 3.01Å; L448-L451 VanDerWaalsContact O-N 3.14Å; L448-E452 PolarHBondContact O-N 3.01Å |
| 449 | E | 95.9 | Very high | 96.6 | Very high | 109 Ų | 109 | 97.8 Ų | 97.8 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.1 | -48.1 | 174.3 | -69.1 | 169.1 | 161.5 | 0 | 0 | 111.1 | I445 T446 L451 E452 D453 | I445-E449 HydrophobicContact CG2-CG 4.37Å; I445-E449 WeakPolarHBondContact O-CG 3.49Å; I445-E449 PolarHBondContact O-N 3Å; T446-E449 WeakPolarHBondContact CA-OE2 3.35Å; E449-L451 PolarHBondContact O-N 2.94Å; E449-E452 PolarHBondContact O-N 3.1Å; E449-E452 VanDerWaalsContact O-N 3.16Å; E449-D453 PolarHBondContact O-N 2.97Å |
| 450 | K | 97.3 | Very high | 96.6 | Very high | 77 Ų | 77 | 101 Ų | 101 | 34% | 0.335 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.4 | -35.5 | 173.4 | -69.6 | 161.5 | -145.1 | 155.7 | 0 | 112.4 | T446 D447 A454 | T446-K450 WeakPolarHBondContact O-CD 3.14Å; T446-K450 WeakPolarHBondContact O-CE 3.33Å; T446-K450 WeakPolarHBondContact O-CG 3.37Å; T446-K450 PolarHBondContact O-N 2.91Å; T446-K450 PolarHBondContact OG1-NZ 3.44Å; T446-K450 VanDerWaalsContact OG1-NZ 3.13Å; D447-K450 IonicContact OD1-NZ 3.7Å; D447-K450 PolarHBondContact OD1-NZ 3.44Å; K450-A454 WeakPolarHBondContact O-CB 3.4Å; K450-A454 PolarHBondContact O-N 3.44Å |
| 451 | L | 96.4 | Very high | 96.5 | Very high | 114 Ų | 114 | 97.9 Ų | 97.9 | 60% | 0.597 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -75.4 | -35.5 | 178.3 | -174.3 | 62.2 | 0 | 0 | 0 | 112.2 | D447 L448 E449 A454 F455 | D447-L451 WeakPolarHBondContact O-CB 3.48Å; D447-L451 PolarHBondContact O-N 2.76Å; L448-L451 CarbonylContact O-C 3.56Å; L448-L451 WeakPolarHBondContact O-CB 3.33Å; L448-L451 PolarHBondContact O-N 3.01Å; L448-L451 VanDerWaalsContact O-N 3.14Å; E449-L451 PolarHBondContact O-N 2.94Å; L451-A454 PolarHBondContact O-N 2.98Å; L451-F455 VanDerWaalsContact O-CB 3.32Å; L451-F455 WeakPolarHBondContact O-CB 3.36Å; L451-F455 PolarHBondContact O-N 3.46Å |
| 452 | E | 95.3 | Very high | 96.5 | Very high | 135 Ų | 135 | 97 Ų | 97 | 63% | 0.631 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.9 | -38.1 | 172.3 | -178.1 | 163 | -161.2 | 0 | 0 | 111.8 | L448 E449 F455 S456 | L448-E452 PolarHBondContact O-N 3.01Å; E449-E452 PolarHBondContact O-N 3.1Å; E449-E452 VanDerWaalsContact O-N 3.16Å; E452-F455 PolarHBondContact O-N 3.45Å; E452-S456 VanDerWaalsContact O-CB 3.26Å; E452-S456 WeakPolarHBondContact O-CB 3.37Å; E452-S456 PolarHBondContact O-N 2.83Å; E452-S456 PolarHBondContact O-OG 2.99Å |
| 453 | D | 96 | Very high | 96.5 | Very high | 102 Ų | 102 | 97.7 Ų | 97.7 | 55% | 0.545 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.9 | -47.1 | 170.1 | -104 | -6.7 | 0 | 0 | 0 | 111.4 | E449 F455 S456 K457 | E449-D453 PolarHBondContact O-N 2.97Å; D453-F455 PolarHBondContact O-N 3.42Å; D453-S456 PolarHBondContact O-N 3.45Å; D453-K457 VanDerWaalsContact O-CG 3.31Å; D453-K457 WeakPolarHBondContact O-CG 3.44Å; D453-K457 PolarHBondContact O-N 3.37Å |
| 454 | A | 95.1 | Very high | 96.4 | Very high | 50 Ų | 50 | 92.7 Ų | 92.7 | 41% | 0.413 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K450 L451 K457 S458 | K450-A454 WeakPolarHBondContact O-CB 3.4Å; K450-A454 PolarHBondContact O-N 3.44Å; L451-A454 PolarHBondContact O-N 2.98Å; A454-K457 PolarHBondContact O-N 2.87Å; A454-S458 WeakPolarHBondContact O-CB 3.19Å; A454-S458 PolarHBondContact O-N 3.08Å |
| 455 | F | 95.9 | Very high | 96.3 | Very high | 140 Ų | 140 | 90.2 Ų | 90.2 | 61% | 0.614 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.9 | -38.4 | 175 | -175 | -103.2 | 0 | 0 | 0 | 111.8 | L451 E452 D453 S458 K459 | L451-F455 VanDerWaalsContact O-CB 3.32Å; L451-F455 WeakPolarHBondContact O-CB 3.36Å; L451-F455 PolarHBondContact O-N 3.46Å; E452-F455 PolarHBondContact O-N 3.45Å; D453-F455 PolarHBondContact O-N 3.42Å; F455-S458 PolarHBondContact O-N 2.94Å; F455-K459 WeakPolarHBondContact O-CB 3.38Å; F455-K459 PolarHBondContact O-N 2.91Å |
| 456 | S | 96.8 | Very high | 96.3 | Very high | 55 Ų | 55 | 93.4 Ų | 93.4 | 39% | 0.385 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.4 | -41.2 | 176.7 | -65.8 | 0 | 0 | 0 | 0 | 112.2 | E452 D453 Q460 | E452-S456 VanDerWaalsContact O-CB 3.26Å; E452-S456 WeakPolarHBondContact O-CB 3.37Å; E452-S456 PolarHBondContact O-N 2.83Å; E452-S456 PolarHBondContact O-OG 2.99Å; D453-S456 PolarHBondContact O-N 3.45Å; S456-Q460 WeakPolarHBondContact O-CB 3.22Å; S456-Q460 PolarHBondContact O-N 2.98Å |
| 457 | K | 96.9 | Very high | 96.3 | Very high | 83 Ų | 83 | 93.7 Ų | 93.7 | 36% | 0.361 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.9 | -52.8 | 169.8 | -69.9 | 170 | -170.8 | 178.6 | 0 | 111.1 | D453 A454 K459 Q460 E461 Q1081 S1082 | D453-K457 VanDerWaalsContact O-CG 3.31Å; D453-K457 WeakPolarHBondContact O-CG 3.44Å; D453-K457 PolarHBondContact O-N 3.37Å; A454-K457 PolarHBondContact O-N 2.87Å; K457-K459 VanDerWaalsContact C-N 3.33Å; K457-K459 PolarHBondContact O-N 3.28Å; K457-Q460 WeakPolarHBondContact O-CB 3.38Å; K457-Q460 PolarHBondContact O-N 2.9Å; K457-E461 WeakPolarHBondContact O-CG 3.46Å; K457-E461 PolarHBondContact O-N 2.68Å; K457-Q1081 PolarHBondContact NZ-O 3.28Å; K457-S1082 PolarHBondContact NZ-O 3.44Å |
| 458 | S | 95.7 | Very high | 96.3 | Very high | 66 Ų | 66 | 91.5 Ų | 91.5 | 46% | 0.462 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.9 | -37.2 | -179.9 | -174.3 | 0 | 0 | 0 | 0 | 113.1 | A454 F455 E461 C462 | A454-S458 WeakPolarHBondContact O-CB 3.19Å; A454-S458 PolarHBondContact O-N 3.08Å; F455-S458 PolarHBondContact O-N 2.94Å; S458-E461 PolarHBondContact O-N 2.86Å; S458-C462 VanDerWaalsContact O-CB 3.29Å; S458-C462 WeakPolarHBondContact O-CB 3.44Å; S458-C462 PolarHBondContact O-N 3.46Å |
| 459 | K | 97.6 | Very high | 96.3 | Very high | 129 Ų | 129 | 90.2 Ų | 90.2 | 56% | 0.561 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.4 | -41.6 | 172.2 | 179.9 | -178.5 | 176 | -173.5 | 0 | 111.7 | F455 K457 C462 I463 | F455-K459 WeakPolarHBondContact O-CB 3.38Å; F455-K459 PolarHBondContact O-N 2.91Å; K457-K459 VanDerWaalsContact C-N 3.33Å; K457-K459 PolarHBondContact O-N 3.28Å; K459-C462 PolarHBondContact O-N 2.73Å; K459-I463 HydrophobicContact CG-CD1 4.33Å; K459-I463 WeakPolarHBondContact O-CD1 3.31Å; K459-I463 VanDerWaalsContact O-CG1 3.29Å; K459-I463 WeakPolarHBondContact O-CG1 3.16Å; K459-I463 PolarHBondContact O-N 2.97Å |
| 460 | Q | 96.6 | Very high | 96.3 | Very high | 122 Ų | 122 | 89.2 Ų | 89.2 | 57% | 0.57 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -69.6 | -40.2 | 176.4 | -176.1 | 59.9 | 20 | 0 | 0 | 112.3 | S456 K457 C462 I463 S464 | S456-Q460 WeakPolarHBondContact O-CB 3.22Å; S456-Q460 PolarHBondContact O-N 2.98Å; K457-Q460 WeakPolarHBondContact O-CB 3.38Å; K457-Q460 PolarHBondContact O-N 2.9Å; Q460-C462 VanDerWaalsContact C-N 3.34Å; Q460-C462 PolarHBondContact O-N 2.92Å; Q460-I463 PolarHBondContact O-N 2.81Å; Q460-S464 PolarHBondContact O-N 3.18Å |
| 461 | E | 96.4 | Very high | 96.3 | Very high | 79 Ų | 79 | 89.4 Ų | 89.4 | 37% | 0.369 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 172.3 | -71.7 | 173.2 | 176.8 | 0 | 0 | 111.1 | K457 S458 I463 S464 L465 N1084 | K457-E461 WeakPolarHBondContact O-CG 3.46Å; K457-E461 PolarHBondContact O-N 2.68Å; S458-E461 PolarHBondContact O-N 2.86Å; E461-I463 PolarHBondContact O-N 2.96Å; E461-S464 PolarHBondContact O-N 2.78Å; E461-L465 WeakPolarHBondContact O-CB 3.44Å; E461-L465 PolarHBondContact O-N 2.94Å; E461-N1084 PolarHBondContact OE1-N 3.49Å; E461-N1084 VanDerWaalsContact OE1-N 3.07Å |
| 462 | C | 95.9 | Very high | 96.1 | Very high | 81 Ų | 81 | 90.3 Ų | 90.3 | 55% | 0.547 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.1 | -40 | 174.7 | -176 | 0 | 0 | 0 | 0 | 112.7 | S458 K459 Q460 L465 K466 | S458-C462 VanDerWaalsContact O-CB 3.29Å; S458-C462 WeakPolarHBondContact O-CB 3.44Å; S458-C462 PolarHBondContact O-N 3.46Å; K459-C462 PolarHBondContact O-N 2.73Å; Q460-C462 VanDerWaalsContact C-N 3.34Å; Q460-C462 PolarHBondContact O-N 2.92Å; C462-L465 PolarHBondContact O-N 3.36Å; C462-K466 WeakPolarHBondContact O-CB 3.43Å; C462-K466 PolarHBondContact O-N 2.83Å |
| 463 | I | 96.5 | Very high | 96.2 | Very high | 90 Ų | 90 | 89.9 Ų | 89.9 | 46% | 0.462 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 173.6 | -70.3 | 162.6 | 0 | 0 | 0 | 110.9 | K459 Q460 E461 K466 S467 | K459-I463 HydrophobicContact CG-CD1 4.33Å; K459-I463 WeakPolarHBondContact O-CD1 3.31Å; K459-I463 VanDerWaalsContact O-CG1 3.29Å; K459-I463 WeakPolarHBondContact O-CG1 3.16Å; K459-I463 PolarHBondContact O-N 2.97Å; Q460-I463 PolarHBondContact O-N 2.81Å; E461-I463 PolarHBondContact O-N 2.96Å; I463-K466 PolarHBondContact O-N 3.18Å; I463-S467 PolarHBondContact O-N 3.22Å |
| 464 | S | 95.4 | Very high | 96.2 | Very high | 23 Ų | 23 | 88.7 Ų | 88.7 | 16% | 0.161 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -63.7 | -47.5 | 175.6 | -175.1 | 0 | 0 | 0 | 0 | 111.8 | Q460 E461 K466 S467 N468 S1086 | Q460-S464 PolarHBondContact O-N 3.18Å; E461-S464 PolarHBondContact O-N 2.78Å; S464-K466 VanDerWaalsContact C-N 3.33Å; S464-K466 PolarHBondContact O-N 3.42Å; S464-S467 WeakPolarHBondContact O-CB 3.48Å; S464-S467 PolarHBondContact O-N 2.83Å; S464-S467 VanDerWaalsContact O-N 3.09Å; S464-N468 VanDerWaalsContact O-CG 3.31Å; S464-N468 PolarHBondContact O-N 2.71Å; S464-N468 PolarHBondContact O-ND2 3.49Å; S464-N468 VanDerWaalsContact O-ND2 3.11Å; S464-N468 PolarHBondContact OG-ND2 2.83Å; S464-S1086 PolarHBondContact OG-O 3.46Å |
| 465 | L | 96.8 | Very high | 96.3 | Very high | 123 Ų | 123 | 90.3 Ų | 90.3 | 64% | 0.644 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60 | -42.1 | 177.3 | -176.4 | 62.1 | 0 | 0 | 0 | 111.5 | E461 C462 N468 L469 | E461-L465 WeakPolarHBondContact O-CB 3.44Å; E461-L465 PolarHBondContact O-N 2.94Å; C462-L465 PolarHBondContact O-N 3.36Å; L465-N468 PolarHBondContact O-N 2.96Å; L465-L469 WeakPolarHBondContact O-CB 3.41Å; L465-L469 PolarHBondContact O-N 3.11Å |
| 466 | K | 97 | Very high | 96.4 | Very high | 139 Ų | 139 | 87.2 Ų | 87.2 | 60% | 0.604 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -60.3 | -45.1 | 172.6 | -176.2 | -175.3 | 175.1 | -172.9 | 0 | 111.7 | C462 I463 S464 N468 L469 E470 | C462-K466 WeakPolarHBondContact O-CB 3.43Å; C462-K466 PolarHBondContact O-N 2.83Å; I463-K466 PolarHBondContact O-N 3.18Å; S464-K466 VanDerWaalsContact C-N 3.33Å; S464-K466 PolarHBondContact O-N 3.42Å; K466-N468 VanDerWaalsContact C-N 3.32Å; K466-N468 PolarHBondContact O-N 3.32Å; K466-L469 PolarHBondContact O-N 2.86Å; K466-E470 PolarHBondContact O-N 2.98Å |
| 467 | S | 96.2 | Very high | 96.4 | Very high | 57 Ų | 57 | 91.6 Ų | 91.6 | 40% | 0.399 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60 | -43 | 176.3 | -176.8 | 0 | 0 | 0 | 0 | 111.6 | I463 S464 E470 K471 | I463-S467 PolarHBondContact O-N 3.22Å; S464-S467 WeakPolarHBondContact O-CB 3.48Å; S464-S467 PolarHBondContact O-N 2.83Å; S464-S467 VanDerWaalsContact O-N 3.09Å; S467-E470 WeakPolarHBondContact O-CB 3.38Å; S467-E470 PolarHBondContact O-N 3.25Å; S467-K471 WeakPolarHBondContact O-CG 3.47Å; S467-K471 PolarHBondContact O-N 3.39Å |
| 468 | N | 95.8 | Very high | 96.4 | Very high | 47 Ų | 47 | 91.1 Ų | 91.1 | 25% | 0.251 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.2 | -37.8 | 179.4 | -63.3 | -35.9 | 0 | 0 | 0 | 112.3 | S464 L465 K466 E470 K471 E472 | S464-N468 VanDerWaalsContact O-CG 3.31Å; S464-N468 PolarHBondContact O-N 2.71Å; S464-N468 PolarHBondContact O-ND2 3.49Å; S464-N468 VanDerWaalsContact O-ND2 3.11Å; S464-N468 PolarHBondContact OG-ND2 2.83Å; L465-N468 PolarHBondContact O-N 2.96Å; K466-N468 VanDerWaalsContact C-N 3.32Å; K466-N468 PolarHBondContact O-N 3.32Å; N468-E470 VanDerWaalsContact C-N 3.33Å; N468-E470 PolarHBondContact O-N 3.43Å; N468-K471 WeakPolarHBondContact O-CB 3.4Å; N468-K471 PolarHBondContact O-N 2.9Å; N468-K471 PolarHBondContact OD1-NZ 2.72Å; N468-E472 WeakPolarHBondContact O-CB 3.01Å; N468-E472 PolarHBondContact O-N 3.42Å |
| 469 | L | 96 | Very high | 96.5 | Very high | 74 Ų | 74 | 92.8 Ų | 92.8 | 39% | 0.387 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.2 | -35.2 | 171 | -179.3 | 63.2 | 0 | 0 | 0 | 112.3 | L465 K466 E472 R473 | L465-L469 WeakPolarHBondContact O-CB 3.41Å; L465-L469 PolarHBondContact O-N 3.11Å; K466-L469 PolarHBondContact O-N 2.86Å; L469-E472 PolarHBondContact O-N 3.18Å; L469-R473 WeakPolarHBondContact O-CB 3.46Å; L469-R473 WeakPolarHBondContact O-CD 3.42Å; L469-R473 WeakPolarHBondContact O-CG 3.48Å; L469-R473 PolarHBondContact O-N 2.89Å |
| 470 | E | 96.4 | Very high | 96.4 | Very high | 87 Ų | 87 | 91 Ų | 91 | 41% | 0.407 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67 | -42.5 | 174.1 | -143.5 | 75.7 | -98.1 | 0 | 0 | 111.2 | K466 S467 N468 R473 T474 | K466-E470 PolarHBondContact O-N 2.98Å; S467-E470 WeakPolarHBondContact O-CB 3.38Å; S467-E470 PolarHBondContact O-N 3.25Å; N468-E470 VanDerWaalsContact C-N 3.33Å; N468-E470 PolarHBondContact O-N 3.43Å; E470-R473 PolarHBondContact O-N 3.47Å; E470-R473 IonicContact OE1-NH1 3.42Å; E470-R473 PolarHBondContact OE1-NH1 2.91Å; E470-T474 PolarHBondContact O-N 3.46Å; E470-T474 PolarHBondContact O-OG1 3.19Å |
| 471 | K | 96.6 | Very high | 96.4 | Very high | 82 Ų | 82 | 88.6 Ų | 88.6 | 36% | 0.357 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58.9 | -49.3 | 171.9 | -64.3 | 168.3 | -162.8 | 166.2 | 0 | 111 | S467 N468 R473 T474 V475 S1088 | S467-K471 WeakPolarHBondContact O-CG 3.47Å; S467-K471 PolarHBondContact O-N 3.39Å; N468-K471 WeakPolarHBondContact O-CB 3.4Å; N468-K471 PolarHBondContact O-N 2.9Å; N468-K471 PolarHBondContact OD1-NZ 2.72Å; K471-R473 VanDerWaalsContact C-N 3.34Å; K471-R473 PolarHBondContact O-N 2.87Å; K471-T474 WeakPolarHBondContact CA-OG1 3.3Å; K471-T474 PolarHBondContact O-N 3.41Å; K471-T474 PolarHBondContact O-OG1 3.48Å; K471-V475 PolarHBondContact O-N 3.35Å; K471-S1088 PolarHBondContact NZ-OG 2.92Å; K471-S1088 VanDerWaalsContact NZ-OG 3.14Å |
| 472 | E | 93.1 | Very high | 96.5 | Very high | 132 Ų | 132 | 90 Ų | 90 | 62% | 0.617 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59.6 | -42.3 | 178.3 | -171.8 | -179.8 | -175.5 | 0 | 0 | 111.9 | N468 L469 T474 V475 S476 | N468-E472 WeakPolarHBondContact O-CB 3.01Å; N468-E472 PolarHBondContact O-N 3.42Å; L469-E472 PolarHBondContact O-N 3.18Å; E472-T474 VanDerWaalsContact C-N 3.34Å; E472-T474 PolarHBondContact O-N 3.42Å; E472-V475 PolarHBondContact O-N 3.09Å; E472-S476 VanDerWaalsContact O-CB 3.31Å; E472-S476 WeakPolarHBondContact O-CB 3.43Å; E472-S476 PolarHBondContact O-N 3.29Å |
| 473 | R | 97.3 | Very high | 96.5 | Very high | 127 Ų | 127 | 90.1 Ų | 90.1 | 48% | 0.479 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.6 | -37 | 172.2 | -75.4 | 166 | 171.9 | -176.2 | -1.6 | 113.1 | L469 E470 K471 K477 | L469-R473 WeakPolarHBondContact O-CB 3.46Å; L469-R473 WeakPolarHBondContact O-CD 3.42Å; L469-R473 WeakPolarHBondContact O-CG 3.48Å; L469-R473 PolarHBondContact O-N 2.89Å; E470-R473 PolarHBondContact O-N 3.47Å; E470-R473 IonicContact OE1-NH1 3.42Å; E470-R473 PolarHBondContact OE1-NH1 2.91Å; K471-R473 VanDerWaalsContact C-N 3.34Å; K471-R473 PolarHBondContact O-N 2.87Å; R473-K477 VanDerWaalsContact O-CG 3.26Å; R473-K477 WeakPolarHBondContact O-CG 3.44Å; R473-K477 PolarHBondContact O-N 3.39Å; R473-K477 VanDerWaalsContact O-N 3.08Å |
| 474 | T | 96.7 | Very high | 96.6 | Very high | 77 Ų | 77 | 89.9 Ų | 89.9 | 47% | 0.472 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.5 | -43.3 | 174.1 | 52.7 | 0 | 0 | 0 | 0 | 112.1 | E470 K471 E472 S476 K477 V478 | E470-T474 PolarHBondContact O-N 3.46Å; E470-T474 PolarHBondContact O-OG1 3.19Å; K471-T474 WeakPolarHBondContact CA-OG1 3.3Å; K471-T474 PolarHBondContact O-N 3.41Å; K471-T474 PolarHBondContact O-OG1 3.48Å; E472-T474 VanDerWaalsContact C-N 3.34Å; E472-T474 PolarHBondContact O-N 3.42Å; T474-S476 PolarHBondContact O-N 3Å; T474-K477 PolarHBondContact O-N 3.36Å; T474-V478 WeakPolarHBondContact O-CG2 3.49Å; T474-V478 PolarHBondContact O-N 2.88Å |
| 475 | V | 97.3 | Very high | 96.7 | Very high | 84 Ų | 84 | 91.7 Ų | 91.7 | 51% | 0.509 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 174.6 | 173 | 0 | 0 | 0 | 0 | 111.2 | K471 E472 K477 V478 L479 | K471-V475 PolarHBondContact O-N 3.35Å; E472-V475 PolarHBondContact O-N 3.09Å; V475-K477 VanDerWaalsContact C-N 3.33Å; V475-K477 PolarHBondContact O-N 3.02Å; V475-V478 PolarHBondContact O-N 2.96Å; V475-V478 VanDerWaalsContact O-N 3.16Å; V475-L479 HydrophobicContact CG1-CD1 3.87Å; V475-L479 HydrophobicContact CG1-CG 4.28Å; V475-L479 WeakPolarHBondContact O-CG 3.18Å; V475-L479 PolarHBondContact O-N 3.49Å |
| 476 | S | 97 | Very high | 96.7 | Very high | 74 Ų | 74 | 89.6 Ų | 89.6 | 52% | 0.517 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.4 | -39.9 | 175.8 | 176.6 | 0 | 0 | 0 | 0 | 112.6 | E472 T474 N480 | E472-S476 VanDerWaalsContact O-CB 3.31Å; E472-S476 WeakPolarHBondContact O-CB 3.43Å; E472-S476 PolarHBondContact O-N 3.29Å; T474-S476 PolarHBondContact O-N 3Å; S476-N480 WeakPolarHBondContact O-CB 3.34Å; S476-N480 PolarHBondContact O-N 2.99Å |
| 477 | K | 97.9 | Very high | 96.7 | Very high | 147 Ų | 147 | 87.4 Ų | 87.4 | 64% | 0.639 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.3 | -42.8 | 173.4 | -74.1 | 167.4 | -177.2 | 176.3 | 0 | 112.5 | R473 T474 V475 N480 S481 | R473-K477 VanDerWaalsContact O-CG 3.26Å; R473-K477 WeakPolarHBondContact O-CG 3.44Å; R473-K477 PolarHBondContact O-N 3.39Å; R473-K477 VanDerWaalsContact O-N 3.08Å; T474-K477 PolarHBondContact O-N 3.36Å; V475-K477 VanDerWaalsContact C-N 3.33Å; V475-K477 PolarHBondContact O-N 3.02Å; K477-N480 PolarHBondContact O-N 3.45Å; K477-S481 PolarHBondContact O-N 3.48Å |
| 478 | V | 97.2 | Very high | 96.8 | Very high | 74 Ų | 74 | 88.4 Ų | 88.4 | 45% | 0.448 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.4 | -52.8 | 177.1 | 172.3 | 0 | 0 | 0 | 0 | 110.2 | T474 V475 N480 S481 E482 | T474-V478 WeakPolarHBondContact O-CG2 3.49Å; T474-V478 PolarHBondContact O-N 2.88Å; V475-V478 PolarHBondContact O-N 2.96Å; V475-V478 VanDerWaalsContact O-N 3.16Å; V478-N480 VanDerWaalsContact C-N 3.25Å; V478-N480 PolarHBondContact O-N 2.89Å; V478-S481 WeakPolarHBondContact O-CA 3.25Å; V478-S481 PolarHBondContact O-N 3.03Å; V478-S481 PolarHBondContact O-OG 3Å; V478-E482 HydrophobicContact CG1-CG 4.43Å; V478-E482 PolarHBondContact O-N 3.31Å |
| 479 | L | 97 | Very high | 96.8 | Very high | 101 Ų | 101 | 92.5 Ų | 92.5 | 53% | 0.529 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.5 | -36.8 | 177.1 | -69.1 | 172 | 0 | 0 | 0 | 112.4 | V475 L483 | V475-L479 HydrophobicContact CG1-CD1 3.87Å; V475-L479 HydrophobicContact CG1-CG 4.28Å; V475-L479 WeakPolarHBondContact O-CG 3.18Å; V475-L479 PolarHBondContact O-N 3.49Å; L479-L483 VanDerWaalsContact O-CB 3.31Å; L479-L483 WeakPolarHBondContact O-CB 3.44Å; L479-L483 PolarHBondContact O-N 2.73Å |
| 480 | N | 96.1 | Very high | 96.9 | Very high | 91 Ų | 91 | 92 Ų | 92 | 49% | 0.487 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.6 | -38.5 | 174 | -169.8 | 93.5 | 0 | 0 | 0 | 112.1 | S476 K477 V478 L483 E484 | S476-N480 WeakPolarHBondContact O-CB 3.34Å; S476-N480 PolarHBondContact O-N 2.99Å; K477-N480 PolarHBondContact O-N 3.45Å; V478-N480 VanDerWaalsContact C-N 3.25Å; V478-N480 PolarHBondContact O-N 2.89Å; N480-L483 PolarHBondContact O-N 3.28Å; N480-E484 PolarHBondContact O-N 3.2Å |
| 481 | S | 96.6 | Very high | 96.9 | Very high | 71 Ų | 71 | 94.2 Ų | 94.2 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.5 | -37 | 175.6 | 71.9 | 0 | 0 | 0 | 0 | 112.6 | K477 V478 E484 A485 | K477-S481 PolarHBondContact O-N 3.48Å; V478-S481 WeakPolarHBondContact O-CA 3.25Å; V478-S481 PolarHBondContact O-N 3.03Å; V478-S481 PolarHBondContact O-OG 3Å; S481-E484 PolarHBondContact O-N 3.41Å; S481-A485 WeakPolarHBondContact O-CB 3.49Å; S481-A485 PolarHBondContact O-N 3.22Å |
| 482 | E | 97.5 | Very high | 96.9 | Very high | 110 Ų | 110 | 95.9 Ų | 95.9 | 51% | 0.514 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.9 | -39 | 171.9 | -69.3 | 175.5 | 178 | 0 | 0 | 111.4 | V478 A485 L486 | V478-E482 HydrophobicContact CG1-CG 4.43Å; V478-E482 PolarHBondContact O-N 3.31Å; E482-A485 PolarHBondContact O-N 3.45Å; E482-L486 VanDerWaalsContact O-CB 3.3Å; E482-L486 WeakPolarHBondContact O-CB 3.44Å; E482-L486 PolarHBondContact O-N 3.46Å |
| 483 | L | 96.9 | Very high | 96.9 | Very high | 83 Ų | 83 | 94 Ų | 94 | 44% | 0.435 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 175.4 | -179.9 | 62.3 | 0 | 0 | 0 | 112.4 | L479 N480 L486 K487 | L479-L483 VanDerWaalsContact O-CB 3.31Å; L479-L483 WeakPolarHBondContact O-CB 3.44Å; L479-L483 PolarHBondContact O-N 2.73Å; N480-L483 PolarHBondContact O-N 3.28Å; L483-L486 PolarHBondContact O-N 3.3Å; L483-K487 VanDerWaalsContact O-CG 3.3Å; L483-K487 WeakPolarHBondContact O-CG 3.19Å; L483-K487 PolarHBondContact O-N 3.49Å |
| 484 | E | 97.4 | Very high | 96.9 | Very high | 84 Ų | 84 | 93.5 Ų | 93.5 | 39% | 0.393 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.2 | -40.7 | 173.5 | -65.6 | -49.2 | 136.3 | 0 | 0 | 112.1 | N480 S481 L486 K487 V488 | N480-E484 PolarHBondContact O-N 3.2Å; S481-E484 PolarHBondContact O-N 3.41Å; E484-L486 VanDerWaalsContact C-N 3.3Å; E484-L486 PolarHBondContact O-N 2.8Å; E484-K487 WeakPolarHBondContact O-CB 3.4Å; E484-K487 PolarHBondContact O-N 2.91Å; E484-K487 IonicContact OE1-NZ 3Å; E484-K487 PolarHBondContact OE1-NZ 2.98Å; E484-K487 VanDerWaalsContact OE2-CD 3.26Å; E484-K487 WeakPolarHBondContact OE2-CD 3.34Å; E484-K487 IonicContact OE2-NZ 3.12Å; E484-V488 WeakPolarHBondContact O-CG2 3.27Å; E484-V488 PolarHBondContact O-N 2.79Å |
| 485 | A | 97.3 | Very high | 96.9 | Very high | 62 Ų | 62 | 93.6 Ų | 93.6 | 51% | 0.512 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | S481 E482 V488 R489 | S481-A485 WeakPolarHBondContact O-CB 3.49Å; S481-A485 PolarHBondContact O-N 3.22Å; E482-A485 PolarHBondContact O-N 3.45Å; A485-V488 PolarHBondContact O-N 2.99Å; A485-R489 PolarHBondContact O-N 3.23Å |
| 486 | L | 96.8 | Very high | 96.7 | Very high | 79 Ų | 79 | 91.4 Ų | 91.4 | 41% | 0.414 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.5 | -40.4 | 174.9 | -176.3 | 60.6 | 0 | 0 | 0 | 111.9 | E482 L483 E484 V488 R489 V490 | E482-L486 VanDerWaalsContact O-CB 3.3Å; E482-L486 WeakPolarHBondContact O-CB 3.44Å; E482-L486 PolarHBondContact O-N 3.46Å; L483-L486 PolarHBondContact O-N 3.3Å; E484-L486 VanDerWaalsContact C-N 3.3Å; E484-L486 PolarHBondContact O-N 2.8Å; L486-V488 VanDerWaalsContact C-N 3.33Å; L486-V488 PolarHBondContact O-N 2.9Å; L486-R489 VanDerWaalsContact CD1-NH2 3.31Å; L486-R489 PolarHBondContact O-N 3.42Å; L486-V490 WeakPolarHBondContact O-CG2 3.48Å; L486-V490 PolarHBondContact O-N 3.35Å |
| 487 | K | 97.7 | Very high | 96.6 | Very high | 92 Ų | 92 | 94.2 Ų | 94.2 | 40% | 0.4 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.3 | -37 | 173.5 | -74.4 | 164.8 | -180 | 174 | 0 | 112.6 | L483 E484 K491 | L483-K487 VanDerWaalsContact O-CG 3.3Å; L483-K487 WeakPolarHBondContact O-CG 3.19Å; L483-K487 PolarHBondContact O-N 3.49Å; E484-K487 WeakPolarHBondContact O-CB 3.4Å; E484-K487 PolarHBondContact O-N 2.91Å; E484-K487 IonicContact OE1-NZ 3Å; E484-K487 PolarHBondContact OE1-NZ 2.98Å; E484-K487 VanDerWaalsContact OE2-CD 3.26Å; E484-K487 WeakPolarHBondContact OE2-CD 3.34Å; E484-K487 IonicContact OE2-NZ 3.12Å; K487-K491 WeakPolarHBondContact O-CG 3.33Å; K487-K491 PolarHBondContact O-N 3.5Å |
| 488 | V | 97.4 | Very high | 96.5 | Very high | 78 Ų | 78 | 88.7 Ų | 88.7 | 47% | 0.473 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.8 | -50.4 | 173 | 173 | 0 | 0 | 0 | 0 | 110 | E484 A485 L486 V490 K491 E492 | E484-V488 WeakPolarHBondContact O-CG2 3.27Å; E484-V488 PolarHBondContact O-N 2.79Å; A485-V488 PolarHBondContact O-N 2.99Å; L486-V488 VanDerWaalsContact C-N 3.33Å; L486-V488 PolarHBondContact O-N 2.9Å; V488-V490 VanDerWaalsContact C-N 3.28Å; V488-V490 PolarHBondContact O-N 3.08Å; V488-K491 WeakPolarHBondContact O-CB 3.44Å; V488-K491 PolarHBondContact O-N 3.24Å; V488-E492 HydrophobicContact CG1-CG 4.5Å; V488-E492 WeakPolarHBondContact O-CG 3.25Å; V488-E492 PolarHBondContact O-N 3.13Å |
| 489 | R | 96.6 | Very high | 96.5 | Very high | 134 Ų | 134 | 91.1 Ų | 91.1 | 51% | 0.506 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.4 | -34.2 | 178.9 | -165.4 | 179.1 | 68.9 | 86.7 | 0.6 | 113.3 | A485 L486 E492 L493 | A485-R489 PolarHBondContact O-N 3.23Å; L486-R489 VanDerWaalsContact CD1-NH2 3.31Å; L486-R489 PolarHBondContact O-N 3.42Å; R489-E492 PolarHBondContact O-N 2.94Å; R489-L493 VanDerWaalsContact O-CG 3.31Å; R489-L493 WeakPolarHBondContact O-CG 3.45Å; R489-L493 PolarHBondContact O-N 3.07Å |
| 490 | V | 97.2 | Very high | 96.3 | Very high | 62 Ų | 62 | 90.8 Ų | 90.8 | 38% | 0.376 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.7 | -47.6 | 172.7 | 167.1 | 0 | 0 | 0 | 0 | 110.9 | L486 V488 E492 L493 E494 | L486-V490 WeakPolarHBondContact O-CG2 3.48Å; L486-V490 PolarHBondContact O-N 3.35Å; V488-V490 VanDerWaalsContact C-N 3.28Å; V488-V490 PolarHBondContact O-N 3.08Å; V490-E492 VanDerWaalsContact C-N 3.31Å; V490-E492 PolarHBondContact O-N 2.79Å; V490-L493 WeakPolarHBondContact O-CB 3.49Å; V490-L493 PolarHBondContact O-N 3.16Å; V490-L493 VanDerWaalsContact O-N 3.15Å; V490-E494 HydrophobicContact CG1-CG 4.43Å; V490-E494 WeakPolarHBondContact O-CG 3.48Å; V490-E494 PolarHBondContact O-N 2.81Å |
| 491 | K | 97.1 | Very high | 96.4 | Very high | 134 Ų | 134 | 90.1 Ų | 90.1 | 58% | 0.583 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.7 | -38 | 176.1 | -69 | 170.9 | -178.1 | 176.1 | 0 | 112.6 | K487 V488 L493 E494 T495 | K487-K491 WeakPolarHBondContact O-CG 3.33Å; K487-K491 PolarHBondContact O-N 3.5Å; V488-K491 WeakPolarHBondContact O-CB 3.44Å; V488-K491 PolarHBondContact O-N 3.24Å; K491-L493 VanDerWaalsContact C-N 3.34Å; K491-E494 PolarHBondContact O-N 3.23Å; K491-T495 WeakPolarHBondContact O-CG2 3.47Å; K491-T495 PolarHBondContact O-N 2.84Å |
| 492 | E | 96 | Very high | 96.4 | Very high | 118 Ų | 118 | 94 Ų | 94 | 55% | 0.551 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.3 | -45.7 | 174.3 | -70.4 | 172.2 | 165.3 | 0 | 0 | 111.2 | V488 R489 V490 T495 A496 | V488-E492 HydrophobicContact CG1-CG 4.5Å; V488-E492 WeakPolarHBondContact O-CG 3.25Å; V488-E492 PolarHBondContact O-N 3.13Å; R489-E492 PolarHBondContact O-N 2.94Å; V490-E492 VanDerWaalsContact C-N 3.31Å; V490-E492 PolarHBondContact O-N 2.79Å; E492-T495 PolarHBondContact O-N 2.81Å; E492-T495 PolarHBondContact O-OG1 2.68Å; E492-A496 PolarHBondContact O-N 2.87Å |
| 493 | L | 94.7 | Very high | 96.3 | Very high | 93 Ų | 93 | 93 Ų | 93 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 175 | -70.7 | 168.9 | 0 | 0 | 0 | 112.5 | R489 V490 K491 T495 A496 E497 | R489-L493 VanDerWaalsContact O-CG 3.31Å; R489-L493 WeakPolarHBondContact O-CG 3.45Å; R489-L493 PolarHBondContact O-N 3.07Å; V490-L493 WeakPolarHBondContact O-CB 3.49Å; V490-L493 PolarHBondContact O-N 3.16Å; V490-L493 VanDerWaalsContact O-N 3.15Å; K491-L493 VanDerWaalsContact C-N 3.34Å; L493-T495 VanDerWaalsContact C-N 3.31Å; L493-T495 PolarHBondContact O-N 3.37Å; L493-A496 CarbonylContact O-C 3.58Å; L493-A496 WeakPolarHBondContact O-CA 3.37Å; L493-A496 WeakPolarHBondContact O-CB 3.33Å; L493-A496 PolarHBondContact O-N 3.33Å; L493-E497 PolarHBondContact O-N 2.86Å |
| 494 | E | 96.4 | Very high | 96.2 | Very high | 115 Ų | 115 | 93.6 Ų | 93.6 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -56.8 | -42.8 | 173 | -69.9 | 168.1 | 170.3 | 0 | 0 | 111.3 | V490 K491 A496 G498 | V490-E494 HydrophobicContact CG1-CG 4.43Å; V490-E494 WeakPolarHBondContact O-CG 3.48Å; V490-E494 PolarHBondContact O-N 2.81Å; K491-E494 PolarHBondContact O-N 3.23Å; E494-A496 VanDerWaalsContact C-N 3.3Å; E494-A496 PolarHBondContact O-N 2.81Å; E494-G498 PolarHBondContact O-N 3.34Å |
| 495 | T | 96.4 | Very high | 96.1 | Very high | 79 Ų | 79 | 93.9 Ų | 93.9 | 49% | 0.485 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -72.8 | -20 | 174.8 | 74.3 | 0 | 0 | 0 | 0 | 113.7 | K491 E492 L493 K499 | K491-T495 WeakPolarHBondContact O-CG2 3.47Å; K491-T495 PolarHBondContact O-N 2.84Å; E492-T495 PolarHBondContact O-N 2.81Å; E492-T495 PolarHBondContact O-OG1 2.68Å; L493-T495 VanDerWaalsContact C-N 3.31Å; L493-T495 PolarHBondContact O-N 3.37Å; T495-K499 WeakPolarHBondContact O-CD 3.35Å; T495-K499 WeakPolarHBondContact O-CE 3.48Å; T495-K499 WeakPolarHBondContact O-CG 3.35Å; T495-K499 PolarHBondContact O-N 3.03Å; T495-K499 PolarHBondContact O-NZ 2.85Å; T495-K499 PolarHBondContact OG1-NZ 3.33Å |
| 496 | A | 93.1 | Very high | 96.1 | Very high | 39 Ų | 39 | 94.4 Ų | 94.4 | 32% | 0.322 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -79 | -47.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | E492 L493 E494 G498 K499 V500 | E492-A496 PolarHBondContact O-N 2.87Å; L493-A496 CarbonylContact O-C 3.58Å; L493-A496 WeakPolarHBondContact O-CA 3.37Å; L493-A496 WeakPolarHBondContact O-CB 3.33Å; L493-A496 PolarHBondContact O-N 3.33Å; E494-A496 VanDerWaalsContact C-N 3.3Å; E494-A496 PolarHBondContact O-N 2.81Å; A496-G498 VanDerWaalsContact C-N 3.32Å; A496-G498 PolarHBondContact O-N 3.25Å; A496-K499 WeakPolarHBondContact O-CA 3.14Å; A496-K499 WeakPolarHBondContact O-CB 3.47Å; A496-K499 PolarHBondContact O-N 3.1Å; A496-V500 WeakPolarHBondContact O-CG2 3.34Å; A496-V500 PolarHBondContact O-N 3.44Å |
| 497 | E | 94.7 | Very high | 96.1 | Very high | 132 Ų | 132 | 96.4 Ų | 96.4 | 62% | 0.617 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -55.2 | -47.5 | 171 | -175.9 | 177.9 | -171.9 | 0 | 0 | 110.8 | L493 K499 V500 V501 | L493-E497 PolarHBondContact O-N 2.86Å; E497-K499 PolarHBondContact O-N 2.85Å; E497-K499 VanDerWaalsContact O-N 3.08Å; E497-V500 PolarHBondContact O-N 2.83Å; E497-V501 HydrophobicContact CG-CG2 4.38Å; E497-V501 WeakPolarHBondContact O-CG2 3.28Å; E497-V501 PolarHBondContact O-N 3.41Å |
| 498 | G | 96.2 | Very high | 96.1 | Very high | 31 Ų | 31 | 96.4 Ų | 96.4 | 32% | 0.32 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -11.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | E494 A496 K502 | E494-G498 PolarHBondContact O-N 3.34Å; A496-G498 VanDerWaalsContact C-N 3.32Å; A496-G498 PolarHBondContact O-N 3.25Å; G498-K502 VanDerWaalsContact O-CD 3.28Å; G498-K502 WeakPolarHBondContact O-CD 3.31Å; G498-K502 WeakPolarHBondContact O-CE 3.27Å; G498-K502 WeakPolarHBondContact O-CG 3.27Å |
| 499 | K | 96.5 | Very high | 96 | Very high | 126 Ų | 126 | 96.5 Ų | 96.5 | 55% | 0.548 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -91 | -43.9 | 166.6 | -66.7 | 156.2 | -165 | 148 | 0 | 110.7 | T495 A496 E497 V501 K502 T503 | T495-K499 WeakPolarHBondContact O-CD 3.35Å; T495-K499 WeakPolarHBondContact O-CE 3.48Å; T495-K499 WeakPolarHBondContact O-CG 3.35Å; T495-K499 PolarHBondContact O-N 3.03Å; T495-K499 PolarHBondContact O-NZ 2.85Å; T495-K499 PolarHBondContact OG1-NZ 3.33Å; A496-K499 WeakPolarHBondContact O-CA 3.14Å; A496-K499 WeakPolarHBondContact O-CB 3.47Å; A496-K499 PolarHBondContact O-N 3.1Å; E497-K499 PolarHBondContact O-N 2.85Å; E497-K499 VanDerWaalsContact O-N 3.08Å; K499-V501 PolarHBondContact O-N 3.37Å; K499-K502 WeakPolarHBondContact O-CB 3.28Å; K499-K502 PolarHBondContact O-N 3.35Å; K499-K502 VanDerWaalsContact O-N 3.1Å; K499-T503 PolarHBondContact O-N 3.06Å; K499-T503 PolarHBondContact O-OG1 2.66Å |
| 500 | V | 93.9 | Very high | 96 | Very high | 93 Ų | 93 | 94.1 Ų | 94.1 | 56% | 0.564 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -57.9 | -46.8 | 177.5 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | A496 E497 K502 T503 E504 | A496-V500 WeakPolarHBondContact O-CG2 3.34Å; A496-V500 PolarHBondContact O-N 3.44Å; E497-V500 PolarHBondContact O-N 2.83Å; V500-K502 VanDerWaalsContact C-N 3.25Å; V500-K502 PolarHBondContact O-N 3.27Å; V500-T503 WeakPolarHBondContact CA-OG1 3.45Å; V500-T503 PolarHBondContact O-N 3.44Å; V500-T503 VanDerWaalsContact O-N 3.09Å; V500-T503 PolarHBondContact O-OG1 2.85Å; V500-E504 WeakPolarHBondContact O-CB 3.38Å; V500-E504 PolarHBondContact O-N 2.84Å |
| 501 | V | 97.4 | Very high | 96 | Very high | 77 Ų | 77 | 95.2 Ų | 95.2 | 47% | 0.467 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.9 | -35.9 | 176.3 | 172.8 | 0 | 0 | 0 | 0 | 111.9 | E497 K499 Q505 | E497-V501 HydrophobicContact CG-CG2 4.38Å; E497-V501 WeakPolarHBondContact O-CG2 3.28Å; E497-V501 PolarHBondContact O-N 3.41Å; K499-V501 PolarHBondContact O-N 3.37Å; V501-Q505 WeakPolarHBondContact O-CB 3.18Å; V501-Q505 PolarHBondContact O-N 2.93Å |
| 502 | K | 97.2 | Very high | 95.8 | Very high | 154 Ų | 154 | 92.6 Ų | 92.6 | 67% | 0.67 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -69.5 | -41.4 | 175.1 | -68.2 | 173.1 | -174 | 174.1 | 0 | 111.8 | G498 K499 V500 E504 Q505 T506 | G498-K502 VanDerWaalsContact O-CD 3.28Å; G498-K502 WeakPolarHBondContact O-CD 3.31Å; G498-K502 WeakPolarHBondContact O-CE 3.27Å; G498-K502 WeakPolarHBondContact O-CG 3.27Å; K499-K502 WeakPolarHBondContact O-CB 3.28Å; K499-K502 PolarHBondContact O-N 3.35Å; K499-K502 VanDerWaalsContact O-N 3.1Å; V500-K502 VanDerWaalsContact C-N 3.25Å; V500-K502 PolarHBondContact O-N 3.27Å; K502-E504 VanDerWaalsContact C-N 3.34Å; K502-Q505 PolarHBondContact O-N 2.87Å; K502-T506 PolarHBondContact O-N 2.87Å; K502-T506 PolarHBondContact O-OG1 2.9Å |
| 503 | T | 94.6 | Very high | 95.9 | Very high | 87 Ų | 87 | 92.5 Ų | 92.5 | 53% | 0.534 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.3 | -32.7 | 175.5 | 52 | 0 | 0 | 0 | 0 | 112.9 | K499 V500 T506 L507 | K499-T503 PolarHBondContact O-N 3.06Å; K499-T503 PolarHBondContact O-OG1 2.66Å; V500-T503 WeakPolarHBondContact CA-OG1 3.45Å; V500-T503 PolarHBondContact O-N 3.44Å; V500-T503 VanDerWaalsContact O-N 3.09Å; V500-T503 PolarHBondContact O-OG1 2.85Å; T503-T506 WeakPolarHBondContact CA-OG1 3.3Å; T503-T506 PolarHBondContact O-OG1 3.36Å; T503-L507 WeakPolarHBondContact O-CB 3.38Å; T503-L507 PolarHBondContact O-N 3.34Å |
| 504 | E | 96.1 | Very high | 96 | Very high | 96 Ų | 96 | 92.9 Ų | 92.9 | 45% | 0.449 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 172.7 | -162.5 | -149.2 | 171.8 | 0 | 0 | 110.8 | V500 K502 L507 K508 | V500-E504 WeakPolarHBondContact O-CB 3.38Å; V500-E504 PolarHBondContact O-N 2.84Å; K502-E504 VanDerWaalsContact C-N 3.34Å; E504-L507 PolarHBondContact O-N 3.09Å; E504-K508 VanDerWaalsContact CD-CE 3.44Å; E504-K508 VanDerWaalsContact O-CG 3.31Å; E504-K508 WeakPolarHBondContact O-CG 3.42Å; E504-K508 PolarHBondContact O-N 3.36Å; E504-K508 WeakPolarHBondContact OE1-CE 3.38Å; E504-K508 IonicContact OE1-NZ 3.21Å; E504-K508 PolarHBondContact OE1-NZ 2.95Å; E504-K508 IonicContact OE2-NZ 2.68Å; E504-K508 PolarHBondContact OE2-NZ 2.77Å |
| 505 | Q | 95.9 | Very high | 96.1 | Very high | 91 Ų | 91 | 93.4 Ų | 93.4 | 43% | 0.425 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 175 | 179.1 | 56.8 | 29.5 | 0 | 0 | 112.2 | V501 K502 L507 K508 E509 | V501-Q505 WeakPolarHBondContact O-CB 3.18Å; V501-Q505 PolarHBondContact O-N 2.93Å; K502-Q505 PolarHBondContact O-N 2.87Å; Q505-L507 VanDerWaalsContact C-N 3.31Å; Q505-L507 PolarHBondContact O-N 3.27Å; Q505-K508 WeakPolarHBondContact O-CB 3.46Å; Q505-K508 PolarHBondContact O-N 2.96Å; Q505-E509 PolarHBondContact NE2-OE1 3.44Å; Q505-E509 WeakPolarHBondContact O-CG 3.15Å; Q505-E509 PolarHBondContact O-N 2.91Å |
| 506 | T | 96.1 | Very high | 96 | Very high | 72 Ų | 72 | 93.7 Ų | 93.7 | 44% | 0.442 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63 | -38.3 | 174.9 | 50.7 | 0 | 0 | 0 | 0 | 111.9 | K502 T503 K508 E509 D510 | K502-T506 PolarHBondContact O-N 2.87Å; K502-T506 PolarHBondContact O-OG1 2.9Å; T503-T506 WeakPolarHBondContact CA-OG1 3.3Å; T503-T506 PolarHBondContact O-OG1 3.36Å; T506-K508 PolarHBondContact O-N 3.07Å; T506-E509 WeakPolarHBondContact O-CB 3.42Å; T506-E509 PolarHBondContact O-N 2.94Å; T506-D510 PolarHBondContact O-N 3.24Å |
| 507 | L | 96.4 | Very high | 96.2 | Very high | 121 Ų | 121 | 96 Ų | 96 | 63% | 0.634 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.1 | -34.6 | 176.2 | -175.1 | 62 | 0 | 0 | 0 | 112.4 | T503 E504 Q505 E509 D510 L511 | T503-L507 WeakPolarHBondContact O-CB 3.38Å; T503-L507 PolarHBondContact O-N 3.34Å; E504-L507 PolarHBondContact O-N 3.09Å; Q505-L507 VanDerWaalsContact C-N 3.31Å; Q505-L507 PolarHBondContact O-N 3.27Å; L507-E509 VanDerWaalsContact C-N 3.35Å; L507-D510 PolarHBondContact O-N 3.04Å; L507-L511 VanDerWaalsContact O-CB 3.25Å; L507-L511 WeakPolarHBondContact O-CB 3.45Å; L507-L511 PolarHBondContact O-N 2.78Å |
| 508 | K | 97.2 | Very high | 96.2 | Very high | 92 Ų | 92 | 93.3 Ų | 93.3 | 40% | 0.4 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 170.9 | -74.4 | 163.7 | -176.9 | 163.1 | 0 | 111.5 | E504 Q505 T506 L511 T512 | E504-K508 VanDerWaalsContact CD-CE 3.44Å; E504-K508 VanDerWaalsContact O-CG 3.31Å; E504-K508 WeakPolarHBondContact O-CG 3.42Å; E504-K508 PolarHBondContact O-N 3.36Å; E504-K508 WeakPolarHBondContact OE1-CE 3.38Å; E504-K508 IonicContact OE1-NZ 3.21Å; E504-K508 PolarHBondContact OE1-NZ 2.95Å; E504-K508 IonicContact OE2-NZ 2.68Å; E504-K508 PolarHBondContact OE2-NZ 2.77Å; Q505-K508 WeakPolarHBondContact O-CB 3.46Å; Q505-K508 PolarHBondContact O-N 2.96Å; T506-K508 PolarHBondContact O-N 3.07Å; K508-L511 PolarHBondContact O-N 2.89Å; K508-T512 WeakPolarHBondContact O-CG2 3.04Å; K508-T512 PolarHBondContact O-N 3.32Å; K508-T512 PolarHBondContact O-OG1 2.99Å |
| 509 | E | 96.9 | Very high | 96.2 | Very high | 81 Ų | 81 | 95.9 Ų | 95.9 | 38% | 0.379 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.1 | -38.7 | 176.6 | -70.7 | 168.7 | -157.5 | 0 | 0 | 112.6 | Q505 T506 L507 T512 K513 | Q505-E509 PolarHBondContact NE2-OE1 3.44Å; Q505-E509 WeakPolarHBondContact O-CG 3.15Å; Q505-E509 PolarHBondContact O-N 2.91Å; T506-E509 WeakPolarHBondContact O-CB 3.42Å; T506-E509 PolarHBondContact O-N 2.94Å; L507-E509 VanDerWaalsContact C-N 3.35Å; E509-T512 PolarHBondContact O-N 2.87Å; E509-T512 PolarHBondContact O-OG1 2.85Å; E509-K513 WeakPolarHBondContact O-CE 3.4Å; E509-K513 VanDerWaalsContact O-CG 3.23Å; E509-K513 WeakPolarHBondContact O-CG 3.46Å; E509-K513 PolarHBondContact O-N 2.83Å |
| 510 | D | 95.2 | Very high | 96.1 | Very high | 83 Ų | 83 | 94.7 Ų | 94.7 | 44% | 0.444 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.7 | -33.6 | 174.2 | -68.9 | -28.6 | 0 | 0 | 0 | 111.8 | T506 L507 K513 L514 | T506-D510 PolarHBondContact O-N 3.24Å; L507-D510 PolarHBondContact O-N 3.04Å; D510-K513 PolarHBondContact O-N 3.18Å; D510-K513 WeakPolarHBondContact OD1-CD 3.48Å; D510-K513 WeakPolarHBondContact OD1-CE 3.36Å; D510-K513 IonicContact OD1-NZ 3.85Å; D510-K513 PolarHBondContact OD1-NZ 2.96Å; D510-L514 WeakPolarHBondContact O-CB 3.44Å; D510-L514 PolarHBondContact O-N 3Å |
| 511 | L | 97.1 | Very high | 96.2 | Very high | 85 Ų | 85 | 94 Ų | 94 | 45% | 0.445 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.3 | -35.8 | 171.4 | -178.7 | 61.2 | 0 | 0 | 0 | 112.5 | L507 K508 K515 | L507-L511 VanDerWaalsContact O-CB 3.25Å; L507-L511 WeakPolarHBondContact O-CB 3.45Å; L507-L511 PolarHBondContact O-N 2.78Å; K508-L511 PolarHBondContact O-N 2.89Å; L511-K515 HydrophobicContact CG-CD 4.5Å; L511-K515 WeakPolarHBondContact O-CB 3.34Å; L511-K515 VanDerWaalsContact O-CG 3.27Å; L511-K515 WeakPolarHBondContact O-CG 3.44Å; L511-K515 PolarHBondContact O-N 2.92Å |
| 512 | T | 94.8 | Very high | 96.1 | Very high | 79 Ų | 79 | 94.2 Ų | 94.2 | 49% | 0.485 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -72.7 | -38.8 | 173.5 | 54.9 | 0 | 0 | 0 | 0 | 111.9 | K508 E509 L514 K515 T516 | K508-T512 WeakPolarHBondContact O-CG2 3.04Å; K508-T512 PolarHBondContact O-N 3.32Å; K508-T512 PolarHBondContact O-OG1 2.99Å; E509-T512 PolarHBondContact O-N 2.87Å; E509-T512 PolarHBondContact O-OG1 2.85Å; T512-L514 VanDerWaalsContact C-N 3.35Å; T512-L514 PolarHBondContact O-N 3.28Å; T512-K515 PolarHBondContact O-N 2.75Å; T512-T516 PolarHBondContact O-N 3.24Å; T512-T516 PolarHBondContact O-OG1 2.86Å; T512-T516 VanDerWaalsContact O-OG1 3.09Å |
| 513 | K | 97.7 | Very high | 96 | Very high | 117 Ų | 117 | 91.2 Ų | 91.2 | 51% | 0.509 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -56.6 | -47 | 170 | -67.9 | 163.5 | -146.3 | 163.3 | 0 | 111.3 | E509 D510 K515 T516 L517 | E509-K513 WeakPolarHBondContact O-CE 3.4Å; E509-K513 VanDerWaalsContact O-CG 3.23Å; E509-K513 WeakPolarHBondContact O-CG 3.46Å; E509-K513 PolarHBondContact O-N 2.83Å; D510-K513 PolarHBondContact O-N 3.18Å; D510-K513 WeakPolarHBondContact OD1-CD 3.48Å; D510-K513 WeakPolarHBondContact OD1-CE 3.36Å; D510-K513 IonicContact OD1-NZ 3.85Å; D510-K513 PolarHBondContact OD1-NZ 2.96Å; K513-K515 PolarHBondContact O-N 3.07Å; K513-T516 PolarHBondContact O-N 3.42Å; K513-L517 PolarHBondContact O-N 3.24Å |
| 514 | L | 96.8 | Very high | 96 | Very high | 101 Ų | 101 | 92 Ų | 92 | 53% | 0.529 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.7 | -38.3 | 178.6 | -177.2 | 60.8 | 0 | 0 | 0 | 112.5 | D510 T512 L517 T518 | D510-L514 WeakPolarHBondContact O-CB 3.44Å; D510-L514 PolarHBondContact O-N 3Å; T512-L514 VanDerWaalsContact C-N 3.35Å; T512-L514 PolarHBondContact O-N 3.28Å; L514-L517 PolarHBondContact O-N 3.24Å; L514-T518 WeakPolarHBondContact O-CB 3.42Å; L514-T518 PolarHBondContact O-N 3.28Å; L514-T518 PolarHBondContact O-OG1 2.86Å |
| 515 | K | 96.9 | Very high | 95.8 | Very high | 125 Ų | 125 | 95.8 Ų | 95.8 | 54% | 0.543 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 172.3 | -77 | 170.3 | 179.4 | -179.6 | 0 | 111.6 | L511 T512 K513 T518 V519 | L511-K515 HydrophobicContact CG-CD 4.5Å; L511-K515 WeakPolarHBondContact O-CB 3.34Å; L511-K515 VanDerWaalsContact O-CG 3.27Å; L511-K515 WeakPolarHBondContact O-CG 3.44Å; L511-K515 PolarHBondContact O-N 2.92Å; T512-K515 PolarHBondContact O-N 2.75Å; K513-K515 PolarHBondContact O-N 3.07Å; K515-T518 WeakPolarHBondContact O-CB 3.39Å; K515-T518 PolarHBondContact O-N 2.95Å; K515-V519 WeakPolarHBondContact O-CG2 3.36Å; K515-V519 PolarHBondContact O-N 3.4Å |
| 516 | T | 95.1 | Very high | 95.8 | Very high | 86 Ų | 86 | 97.6 Ų | 97.6 | 53% | 0.528 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 176.3 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | T512 K513 T518 V519 M520 | T512-T516 PolarHBondContact O-N 3.24Å; T512-T516 PolarHBondContact O-OG1 2.86Å; T512-T516 VanDerWaalsContact O-OG1 3.09Å; K513-T516 PolarHBondContact O-N 3.42Å; T516-T518 VanDerWaalsContact C-N 3.31Å; T516-T518 PolarHBondContact O-N 3.02Å; T516-V519 PolarHBondContact O-N 3.23Å; T516-M520 WeakPolarHBondContact O-CG 3.5Å; T516-M520 PolarHBondContact O-N 2.82Å |
| 517 | L | 96.8 | Very high | 95.8 | Very high | 88 Ų | 88 | 96.4 Ų | 96.4 | 46% | 0.461 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61 | -39.4 | 174.2 | 179.6 | 62 | 0 | 0 | 0 | 111.9 | K513 L514 M520 L521 | K513-L517 PolarHBondContact O-N 3.24Å; L514-L517 PolarHBondContact O-N 3.24Å; L517-M520 PolarHBondContact O-N 3.41Å; L517-L521 HydrophobicContact CD1-CD1 4.3Å; L517-L521 HydrophobicContact CD1-CG 4.34Å; L517-L521 HydrophobicContact CG-CD1 4.1Å; L517-L521 WeakPolarHBondContact O-CB 3.48Å; L517-L521 WeakPolarHBondContact O-CG 3.23Å; L517-L521 PolarHBondContact O-N 2.87Å |
| 518 | T | 95.4 | Very high | 95.7 | Very high | 74 Ų | 74 | 95.9 Ų | 95.9 | 45% | 0.454 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 176.5 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | L514 K515 T516 L521 V522 | L514-T518 WeakPolarHBondContact O-CB 3.42Å; L514-T518 PolarHBondContact O-N 3.28Å; L514-T518 PolarHBondContact O-OG1 2.86Å; K515-T518 WeakPolarHBondContact O-CB 3.39Å; K515-T518 PolarHBondContact O-N 2.95Å; T516-T518 VanDerWaalsContact C-N 3.31Å; T516-T518 PolarHBondContact O-N 3.02Å; T518-L521 PolarHBondContact O-N 2.87Å; T518-V522 WeakPolarHBondContact O-CG2 3.49Å; T518-V522 PolarHBondContact O-N 3.4Å |
| 519 | V | 95.7 | Very high | 95.5 | Very high | 85 Ų | 85 | 94.2 Ų | 94.2 | 52% | 0.515 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 173.7 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | K515 T516 L521 V522 D523 | K515-V519 WeakPolarHBondContact O-CG2 3.36Å; K515-V519 PolarHBondContact O-N 3.4Å; T516-V519 PolarHBondContact O-N 3.23Å; V519-L521 VanDerWaalsContact C-N 3.34Å; V519-L521 PolarHBondContact O-N 2.96Å; V519-V522 PolarHBondContact O-N 3.13Å; V519-V522 VanDerWaalsContact O-N 3.07Å; V519-D523 PolarHBondContact O-N 3.41Å |
| 520 | M | 95.5 | Very high | 95.4 | Very high | 102 Ų | 102 | 94.9 Ų | 94.9 | 50% | 0.502 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.2 | -45.6 | 176.1 | -71.9 | 175.7 | 59.5 | 0 | 0 | 112.4 | T516 L517 V522 D523 E524 | T516-M520 WeakPolarHBondContact O-CG 3.5Å; T516-M520 PolarHBondContact O-N 2.82Å; L517-M520 PolarHBondContact O-N 3.41Å; M520-V522 VanDerWaalsContact C-N 3.3Å; M520-V522 PolarHBondContact O-N 3.42Å; M520-D523 PolarHBondContact O-N 3.5Å; M520-E524 WeakPolarHBondContact O-CB 3.5Å; M520-E524 WeakPolarHBondContact O-CG 3.32Å; M520-E524 PolarHBondContact O-N 3.12Å |
| 521 | L | 94.8 | Very high | 95.4 | Very high | 79 Ų | 79 | 97.6 Ų | 97.6 | 41% | 0.414 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.2 | -28.7 | 177.8 | -70.5 | 170 | 0 | 0 | 0 | 113 | L517 T518 V519 R525 | L517-L521 HydrophobicContact CD1-CD1 4.3Å; L517-L521 HydrophobicContact CD1-CG 4.34Å; L517-L521 HydrophobicContact CG-CD1 4.1Å; L517-L521 WeakPolarHBondContact O-CB 3.48Å; L517-L521 WeakPolarHBondContact O-CG 3.23Å; L517-L521 PolarHBondContact O-N 2.87Å; T518-L521 PolarHBondContact O-N 2.87Å; V519-L521 VanDerWaalsContact C-N 3.34Å; V519-L521 PolarHBondContact O-N 2.96Å; L521-R525 WeakPolarHBondContact O-CB 3.36Å; L521-R525 WeakPolarHBondContact O-CD 3.16Å; L521-R525 WeakPolarHBondContact O-CG 3.22Å; L521-R525 PolarHBondContact O-N 3.49Å |
| 522 | V | 96.6 | Very high | 95.3 | Very high | 81 Ų | 81 | 98.6 Ų | 98.6 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72.8 | -42.8 | 172.3 | 167.5 | 0 | 0 | 0 | 0 | 111 | T518 V519 M520 R525 K526 | T518-V522 WeakPolarHBondContact O-CG2 3.49Å; T518-V522 PolarHBondContact O-N 3.4Å; V519-V522 PolarHBondContact O-N 3.13Å; V519-V522 VanDerWaalsContact O-N 3.07Å; M520-V522 VanDerWaalsContact C-N 3.3Å; M520-V522 PolarHBondContact O-N 3.42Å; V522-R525 PolarHBondContact O-N 3.34Å; V522-K526 WeakPolarHBondContact O-CB 3.38Å; V522-K526 PolarHBondContact O-N 3.49Å |
| 523 | D | 93.9 | Very high | 95.3 | Very high | 91 Ų | 91 | 100.7 Ų | 100.7 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67 | -37.8 | 176.1 | -76.2 | -34.3 | 0 | 0 | 0 | 112.2 | V519 M520 K526 A527 | V519-D523 PolarHBondContact O-N 3.41Å; M520-D523 PolarHBondContact O-N 3.5Å; D523-K526 PolarHBondContact O-N 3.4Å; D523-A527 WeakPolarHBondContact O-CB 3.34Å; D523-A527 PolarHBondContact O-N 2.84Å |
| 524 | E | 94.8 | Very high | 95.1 | Very high | 102 Ų | 102 | 100.4 Ų | 100.4 | 48% | 0.477 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 171.4 | -76.9 | -179.9 | 179.3 | 0 | 0 | 111.9 | M520 K526 A527 M528 | M520-E524 WeakPolarHBondContact O-CB 3.5Å; M520-E524 WeakPolarHBondContact O-CG 3.32Å; M520-E524 PolarHBondContact O-N 3.12Å; E524-K526 VanDerWaalsContact C-N 3.31Å; E524-K526 PolarHBondContact O-N 2.91Å; E524-A527 PolarHBondContact O-N 3.36Å; E524-M528 HydrophobicContact CB-CE 4.44Å; E524-M528 WeakPolarHBondContact O-CB 3.31Å; E524-M528 WeakPolarHBondContact O-CG 3.37Å; E524-M528 PolarHBondContact O-N 2.96Å |
| 525 | R | 91.6 | Very high | 94.9 | Very high | 176 Ų | 176 | 101 Ų | 101 | 66% | 0.664 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.3 | -41.4 | 173.3 | -79.4 | 171.1 | 177.3 | 175.9 | -0.1 | 112 | L521 V522 M528 A529 | L521-R525 WeakPolarHBondContact O-CB 3.36Å; L521-R525 WeakPolarHBondContact O-CD 3.16Å; L521-R525 WeakPolarHBondContact O-CG 3.22Å; L521-R525 PolarHBondContact O-N 3.49Å; V522-R525 PolarHBondContact O-N 3.34Å; R525-M528 HydrophobicContact CG-CE 4.43Å; R525-M528 PolarHBondContact O-N 2.85Å; R525-A529 WeakPolarHBondContact O-CB 3.45Å; R525-A529 PolarHBondContact O-N 3.26Å |
| 526 | K | 96.4 | Very high | 94.6 | Very high | 129 Ų | 129 | 100.6 Ų | 100.6 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.2 | -48.2 | 175.7 | -174.9 | 178.3 | 176.8 | -177 | 0 | 111.4 | V522 D523 E524 M528 A529 D530 | V522-K526 WeakPolarHBondContact O-CB 3.38Å; V522-K526 PolarHBondContact O-N 3.49Å; D523-K526 PolarHBondContact O-N 3.4Å; E524-K526 VanDerWaalsContact C-N 3.31Å; E524-K526 PolarHBondContact O-N 2.91Å; K526-M528 VanDerWaalsContact C-N 3.27Å; K526-M528 PolarHBondContact O-N 3.29Å; K526-A529 WeakPolarHBondContact O-CB 3.31Å; K526-A529 PolarHBondContact O-N 2.83Å; K526-A529 VanDerWaalsContact O-N 3.1Å; K526-D530 PolarHBondContact O-N 2.86Å |
| 527 | A | 95.4 | Very high | 94.6 | Very high | 47 Ų | 47 | 100.5 Ų | 100.5 | 39% | 0.388 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -31.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | D523 E524 K531 | D523-A527 WeakPolarHBondContact O-CB 3.34Å; D523-A527 PolarHBondContact O-N 2.84Å; E524-A527 PolarHBondContact O-N 3.36Å; A527-K531 WeakPolarHBondContact O-CB 3.33Å; A527-K531 WeakPolarHBondContact O-CD 3.42Å; A527-K531 WeakPolarHBondContact O-CG 3.39Å; A527-K531 PolarHBondContact O-N 2.89Å; A527-K531 VanDerWaalsContact O-N 3.14Å |
| 528 | M | 94.5 | Very high | 94.5 | Very high | 110 Ų | 110 | 102.1 Ų | 102.1 | 54% | 0.542 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.6 | -40.7 | 170.8 | -74.6 | -170.8 | -80.3 | 0 | 0 | 112.3 | E524 R525 K526 K531 L532 | E524-M528 HydrophobicContact CB-CE 4.44Å; E524-M528 WeakPolarHBondContact O-CB 3.31Å; E524-M528 WeakPolarHBondContact O-CG 3.37Å; E524-M528 PolarHBondContact O-N 2.96Å; R525-M528 HydrophobicContact CG-CE 4.43Å; R525-M528 PolarHBondContact O-N 2.85Å; K526-M528 VanDerWaalsContact C-N 3.27Å; K526-M528 PolarHBondContact O-N 3.29Å; M528-K531 PolarHBondContact O-N 3.46Å; M528-L532 WeakPolarHBondContact O-CB 3.31Å; M528-L532 PolarHBondContact O-N 3.43Å |
| 529 | A | 94.3 | Very high | 94.4 | Very high | 57 Ų | 57 | 102.8 Ų | 102.8 | 47% | 0.471 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R525 K526 L532 K533 | R525-A529 WeakPolarHBondContact O-CB 3.45Å; R525-A529 PolarHBondContact O-N 3.26Å; K526-A529 WeakPolarHBondContact O-CB 3.31Å; K526-A529 PolarHBondContact O-N 2.83Å; K526-A529 VanDerWaalsContact O-N 3.1Å; A529-L532 PolarHBondContact O-N 3.25Å; A529-K533 WeakPolarHBondContact O-CB 3.46Å; A529-K533 PolarHBondContact O-N 2.8Å |
| 530 | D | 94.8 | Very high | 94.2 | Very high | 95 Ų | 95 | 105 Ų | 105 | 51% | 0.508 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.7 | -38.5 | 175 | -73.2 | -35.5 | 0 | 0 | 0 | 111.7 | K526 Q534 | K526-D530 PolarHBondContact O-N 2.86Å; D530-Q534 WeakPolarHBondContact O-CB 3.5Å; D530-Q534 PolarHBondContact O-N 3.1Å |
| 531 | K | 95.3 | Very high | 94.1 | Very high | 141 Ų | 141 | 105.3 Ų | 105.3 | 61% | 0.613 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.5 | -45.1 | 170.7 | -76.4 | 168.9 | -176.3 | 175.1 | 0 | 111.9 | A527 M528 Q534 M535 | A527-K531 WeakPolarHBondContact O-CB 3.33Å; A527-K531 WeakPolarHBondContact O-CD 3.42Å; A527-K531 WeakPolarHBondContact O-CG 3.39Å; A527-K531 PolarHBondContact O-N 2.89Å; A527-K531 VanDerWaalsContact O-N 3.14Å; M528-K531 PolarHBondContact O-N 3.46Å; K531-Q534 WeakPolarHBondContact O-CB 3.5Å; K531-Q534 PolarHBondContact O-N 3.25Å; K531-Q534 VanDerWaalsContact O-N 3.15Å; K531-M535 WeakPolarHBondContact O-CG 3.21Å; K531-M535 PolarHBondContact O-N 3.4Å |
| 532 | L | 94.4 | Very high | 94 | Very high | 105 Ų | 105 | 104.6 Ų | 104.6 | 55% | 0.55 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.6 | -48.5 | 178 | -168.2 | 161.1 | 0 | 0 | 0 | 110.2 | M528 A529 Q534 M535 E536 | M528-L532 WeakPolarHBondContact O-CB 3.31Å; M528-L532 PolarHBondContact O-N 3.43Å; A529-L532 PolarHBondContact O-N 3.25Å; L532-Q534 VanDerWaalsContact C-N 3.28Å; L532-Q534 PolarHBondContact O-N 3.43Å; L532-M535 CarbonylContact O-C 3.51Å; L532-M535 WeakPolarHBondContact O-CA 3.44Å; L532-M535 WeakPolarHBondContact O-CB 3.42Å; L532-M535 PolarHBondContact O-N 2.96Å; L532-E536 WeakPolarHBondContact O-CB 3.32Å; L532-E536 PolarHBondContact O-N 2.83Å |
| 533 | K | 94.6 | Very high | 93.9 | Very high | 124 Ų | 124 | 103.9 Ų | 103.9 | 54% | 0.539 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.8 | -34.9 | 173.7 | -170.3 | 172.7 | -177 | 174.7 | 0 | 112.4 | A529 N537 | A529-K533 WeakPolarHBondContact O-CB 3.46Å; A529-K533 PolarHBondContact O-N 2.8Å; K533-N537 WeakPolarHBondContact O-CB 3.4Å; K533-N537 PolarHBondContact O-N 3.44Å; K533-N537 PolarHBondContact O-ND2 2.96Å |
| 534 | Q | 94 | Very high | 93.8 | Very high | 111 Ų | 111 | 101.7 Ų | 101.7 | 52% | 0.519 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.6 | -38.3 | 172.9 | -161.2 | -160.5 | 71.4 | 0 | 0 | 112.1 | D530 K531 L532 K538 | D530-Q534 WeakPolarHBondContact O-CB 3.5Å; D530-Q534 PolarHBondContact O-N 3.1Å; K531-Q534 WeakPolarHBondContact O-CB 3.5Å; K531-Q534 PolarHBondContact O-N 3.25Å; K531-Q534 VanDerWaalsContact O-N 3.15Å; L532-Q534 VanDerWaalsContact C-N 3.28Å; L532-Q534 PolarHBondContact O-N 3.43Å; Q534-K538 VanDerWaalsContact O-CG 3.29Å; Q534-K538 WeakPolarHBondContact O-CG 3.37Å; Q534-K538 PolarHBondContact O-N 2.72Å |
| 535 | M | 91.6 | Very high | 93.8 | Very high | 113 Ų | 113 | 104.1 Ų | 104.1 | 56% | 0.557 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.6 | -44.2 | 174.4 | -66.6 | -168 | -57.6 | 0 | 0 | 111.6 | K531 L532 N537 K538 V539 | K531-M535 WeakPolarHBondContact O-CG 3.21Å; K531-M535 PolarHBondContact O-N 3.4Å; L532-M535 CarbonylContact O-C 3.51Å; L532-M535 WeakPolarHBondContact O-CA 3.44Å; L532-M535 WeakPolarHBondContact O-CB 3.42Å; L532-M535 PolarHBondContact O-N 2.96Å; M535-N537 PolarHBondContact O-N 3.18Å; M535-K538 CarbonylContact O-C 3.59Å; M535-K538 WeakPolarHBondContact O-CA 3.47Å; M535-K538 WeakPolarHBondContact O-CB 3.48Å; M535-K538 PolarHBondContact O-N 3.45Å; M535-K538 VanDerWaalsContact O-N 3.08Å; M535-V539 WeakPolarHBondContact O-CG2 3.25Å; M535-V539 PolarHBondContact O-N 3.46Å |
| 536 | E | 91.9 | Very high | 93.7 | Very high | 117 Ų | 117 | 101.3 Ų | 101.3 | 55% | 0.547 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -56.1 | -49.1 | 173.8 | 179.9 | -179.4 | -138.5 | 0 | 0 | 111.3 | L532 K538 V539 Q540 | L532-E536 WeakPolarHBondContact O-CB 3.32Å; L532-E536 PolarHBondContact O-N 2.83Å; E536-K538 VanDerWaalsContact C-N 3.31Å; E536-K538 PolarHBondContact O-N 3.29Å; E536-V539 PolarHBondContact O-N 2.8Å; E536-Q540 WeakPolarHBondContact O-CB 3.46Å; E536-Q540 PolarHBondContact O-N 3.44Å |
| 537 | N | 93.9 | Very high | 93.5 | Very high | 84 Ų | 84 | 100.1 Ų | 100.1 | 45% | 0.449 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.5 | -36.1 | 174.2 | -79 | -61.3 | 0 | 0 | 0 | 112.8 | K533 M535 N541 | K533-N537 WeakPolarHBondContact O-CB 3.4Å; K533-N537 PolarHBondContact O-N 3.44Å; K533-N537 PolarHBondContact O-ND2 2.96Å; M535-N537 PolarHBondContact O-N 3.18Å; N537-N541 VanDerWaalsContact O-CB 3.3Å; N537-N541 WeakPolarHBondContact O-CB 3.3Å; N537-N541 VanDerWaalsContact O-CG 3.28Å; N537-N541 PolarHBondContact O-N 2.86Å; N537-N541 PolarHBondContact O-ND2 3.47Å |
| 538 | K | 95.6 | Very high | 93.3 | Very high | 122 Ų | 122 | 100 Ų | 100 | 53% | 0.53 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.6 | -45.3 | 174.2 | -77 | 164.2 | 172.3 | 170.8 | 0 | 111.4 | Q534 M535 E536 N541 S542 | Q534-K538 VanDerWaalsContact O-CG 3.29Å; Q534-K538 WeakPolarHBondContact O-CG 3.37Å; Q534-K538 PolarHBondContact O-N 2.72Å; M535-K538 CarbonylContact O-C 3.59Å; M535-K538 WeakPolarHBondContact O-CA 3.47Å; M535-K538 WeakPolarHBondContact O-CB 3.48Å; M535-K538 PolarHBondContact O-N 3.45Å; M535-K538 VanDerWaalsContact O-N 3.08Å; E536-K538 VanDerWaalsContact C-N 3.31Å; E536-K538 PolarHBondContact O-N 3.29Å; K538-N541 PolarHBondContact O-N 3.14Å; K538-S542 PolarHBondContact O-N 2.86Å; K538-S542 PolarHBondContact O-OG 3.39Å |
| 539 | V | 92.7 | Very high | 93 | Very high | 87 Ų | 87 | 99.2 Ų | 99.2 | 53% | 0.527 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.4 | -53.3 | 175.7 | 169.7 | 0 | 0 | 0 | 0 | 109.7 | M535 E536 N541 S542 T543 | M535-V539 WeakPolarHBondContact O-CG2 3.25Å; M535-V539 PolarHBondContact O-N 3.46Å; E536-V539 PolarHBondContact O-N 2.8Å; V539-N541 VanDerWaalsContact C-N 3.3Å; V539-N541 PolarHBondContact O-N 3.4Å; V539-S542 WeakPolarHBondContact CA-OG 3.47Å; V539-S542 CarbonylContact O-C 3.58Å; V539-S542 WeakPolarHBondContact O-CA 3.26Å; V539-S542 PolarHBondContact O-N 3.44Å; V539-S542 PolarHBondContact O-OG 2.78Å; V539-T543 PolarHBondContact O-N 2.79Å; V539-T543 PolarHBondContact O-OG1 3.33Å; V539-T543 VanDerWaalsContact O-OG1 3.07Å |
| 540 | Q | 92.4 | Very high | 92.7 | Very high | 131 Ų | 131 | 101.3 Ų | 101.3 | 61% | 0.612 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.4 | -38.5 | 179.9 | -169.3 | 67 | -9.3 | 0 | 0 | 112.6 | E536 T543 G544 | E536-Q540 WeakPolarHBondContact O-CB 3.46Å; E536-Q540 PolarHBondContact O-N 3.44Å; Q540-T543 PolarHBondContact O-N 3.19Å; Q540-G544 PolarHBondContact O-N 2.71Å |
| 541 | N | 93.6 | Very high | 92.5 | Very high | 110 Ų | 110 | 101.1 Ų | 101.1 | 59% | 0.588 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.1 | -36.5 | 172.1 | -80.4 | -52.1 | 0 | 0 | 0 | 112.9 | N537 K538 V539 K545 | N537-N541 VanDerWaalsContact O-CB 3.3Å; N537-N541 WeakPolarHBondContact O-CB 3.3Å; N537-N541 VanDerWaalsContact O-CG 3.28Å; N537-N541 PolarHBondContact O-N 2.86Å; N537-N541 PolarHBondContact O-ND2 3.47Å; K538-N541 PolarHBondContact O-N 3.14Å; V539-N541 VanDerWaalsContact C-N 3.3Å; V539-N541 PolarHBondContact O-N 3.4Å; N541-K545 WeakPolarHBondContact O-CG 3.48Å; N541-K545 PolarHBondContact O-N 3.34Å; N541-K545 VanDerWaalsContact O-N 3.12Å |
| 542 | S | 92.6 | Very high | 92.4 | Very high | 64 Ų | 64 | 99.9 Ų | 99.9 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72.4 | -36.9 | 173.7 | 62.2 | 0 | 0 | 0 | 0 | 112.9 | K538 V539 K545 L546 | K538-S542 PolarHBondContact O-N 2.86Å; K538-S542 PolarHBondContact O-OG 3.39Å; V539-S542 WeakPolarHBondContact CA-OG 3.47Å; V539-S542 CarbonylContact O-C 3.58Å; V539-S542 WeakPolarHBondContact O-CA 3.26Å; V539-S542 PolarHBondContact O-N 3.44Å; V539-S542 PolarHBondContact O-OG 2.78Å; S542-K545 PolarHBondContact O-N 2.98Å; S542-L546 WeakPolarHBondContact O-CB 3.49Å; S542-L546 PolarHBondContact O-N 3Å |
| 543 | T | 92.6 | Very high | 92.3 | Very high | 66 Ų | 66 | 98.6 Ų | 98.6 | 41% | 0.405 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64 | -43 | 172.8 | -54.6 | 0 | 0 | 0 | 0 | 110.9 | V539 Q540 K545 L546 Q547 | V539-T543 PolarHBondContact O-N 2.79Å; V539-T543 PolarHBondContact O-OG1 3.33Å; V539-T543 VanDerWaalsContact O-OG1 3.07Å; Q540-T543 PolarHBondContact O-N 3.19Å; T543-K545 PolarHBondContact O-N 2.9Å; T543-L546 PolarHBondContact O-N 3.14Å; T543-Q547 WeakPolarHBondContact O-CB 3.45Å; T543-Q547 PolarHBondContact O-N 2.81Å |
| 544 | G | 93.3 | Very high | 92 | Very high | 45 Ų | 45 | 96 Ų | 96 | 46% | 0.464 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62 | -40.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q540 A548 | Q540-G544 PolarHBondContact O-N 2.71Å; G544-A548 WeakPolarHBondContact O-CB 3.41Å; G544-A548 PolarHBondContact O-N 3.47Å |
| 545 | K | 93.4 | Very high | 91.9 | Very high | 152 Ų | 152 | 92.6 Ų | 92.6 | 66% | 0.661 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65 | -45.4 | 171.7 | -74 | 173.7 | -179.6 | -176.4 | 0 | 112 | N541 S542 T543 Q547 A548 E549 | N541-K545 WeakPolarHBondContact O-CG 3.48Å; N541-K545 PolarHBondContact O-N 3.34Å; N541-K545 VanDerWaalsContact O-N 3.12Å; S542-K545 PolarHBondContact O-N 2.98Å; T543-K545 PolarHBondContact O-N 2.9Å; K545-Q547 VanDerWaalsContact C-N 3.33Å; K545-Q547 PolarHBondContact O-N 3.26Å; K545-A548 WeakPolarHBondContact O-CB 3.34Å; K545-A548 PolarHBondContact O-N 3.32Å; K545-A548 VanDerWaalsContact O-N 3.14Å; K545-E549 PolarHBondContact O-N 3.12Å |
| 546 | L | 90.9 | Very high | 91.9 | Very high | 118 Ų | 118 | 91.7 Ų | 91.7 | 62% | 0.618 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.6 | -41.7 | 178 | -179.8 | 60.8 | 0 | 0 | 0 | 111.3 | S542 T543 A548 E549 Q550 | S542-L546 WeakPolarHBondContact O-CB 3.49Å; S542-L546 PolarHBondContact O-N 3Å; T543-L546 PolarHBondContact O-N 3.14Å; L546-A548 VanDerWaalsContact C-N 3.35Å; L546-E549 PolarHBondContact O-N 3.46Å; L546-Q550 VanDerWaalsContact O-CB 3.31Å; L546-Q550 WeakPolarHBondContact O-CB 3.3Å; L546-Q550 PolarHBondContact O-N 2.77Å |
| 547 | Q | 91.9 | Very high | 91.6 | Very high | 104 Ų | 104 | 89.1 Ų | 89.1 | 49% | 0.486 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65 | -37.7 | 174.1 | -170.1 | 64.1 | 55.9 | 0 | 0 | 111.8 | T543 K545 Q550 N551 | T543-Q547 WeakPolarHBondContact O-CB 3.45Å; T543-Q547 PolarHBondContact O-N 2.81Å; K545-Q547 VanDerWaalsContact C-N 3.33Å; K545-Q547 PolarHBondContact O-N 3.26Å; Q547-Q550 PolarHBondContact O-N 2.93Å; Q547-N551 PolarHBondContact NE2-OD1 2.82Å; Q547-N551 WeakPolarHBondContact O-CB 3.38Å; Q547-N551 PolarHBondContact O-N 3.28Å; Q547-N551 PolarHBondContact O-OD1 2.81Å |
| 548 | A | 91 | Very high | 91.3 | Very high | 44 Ų | 44 | 91.3 Ų | 91.3 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G544 K545 L546 N551 K552 | G544-A548 WeakPolarHBondContact O-CB 3.41Å; G544-A548 PolarHBondContact O-N 3.47Å; K545-A548 WeakPolarHBondContact O-CB 3.34Å; K545-A548 PolarHBondContact O-N 3.32Å; K545-A548 VanDerWaalsContact O-N 3.14Å; L546-A548 VanDerWaalsContact C-N 3.35Å; A548-N551 PolarHBondContact O-N 3.39Å; A548-K552 WeakPolarHBondContact O-CG 3.27Å; A548-K552 PolarHBondContact O-N 3.08Å |
| 549 | E | 88.3 | Confident | 91.1 | Very high | 93 Ų | 93 | 92 Ų | 92 | 44% | 0.435 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.9 | -39.7 | 172.2 | -61.3 | -45.1 | 131.9 | 0 | 0 | 112.2 | K545 L546 N551 K552 V553 | K545-E549 PolarHBondContact O-N 3.12Å; L546-E549 PolarHBondContact O-N 3.46Å; E549-N551 VanDerWaalsContact C-N 3.32Å; E549-N551 PolarHBondContact O-N 3.02Å; E549-K552 VanDerWaalsContact CD-NZ 3.3Å; E549-K552 WeakPolarHBondContact O-CB 3.47Å; E549-K552 PolarHBondContact O-N 2.86Å; E549-K552 IonicContact OE1-NZ 3.18Å; E549-K552 PolarHBondContact OE1-NZ 3.02Å; E549-K552 WeakPolarHBondContact OE2-CD 3.26Å; E549-K552 IonicContact OE2-NZ 3.33Å; E549-K552 PolarHBondContact OE2-NZ 3.48Å; E549-V553 WeakPolarHBondContact O-CB 3.35Å; E549-V553 WeakPolarHBondContact O-CG2 3.15Å; E549-V553 PolarHBondContact O-N 3.44Å |
| 550 | Q | 87.8 | Confident | 90.9 | Very high | 101 Ų | 101 | 93.2 Ų | 93.2 | 47% | 0.472 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.5 | -42.4 | 173.9 | -172.9 | 65.6 | 33 | 0 | 0 | 111.3 | L546 Q547 V553 T554 | L546-Q550 VanDerWaalsContact O-CB 3.31Å; L546-Q550 WeakPolarHBondContact O-CB 3.3Å; L546-Q550 PolarHBondContact O-N 2.77Å; Q547-Q550 PolarHBondContact O-N 2.93Å; Q550-V553 PolarHBondContact O-N 2.94Å; Q550-T554 WeakPolarHBondContact O-CB 3.37Å; Q550-T554 PolarHBondContact O-N 2.91Å; Q550-T554 PolarHBondContact O-OG1 2.79Å |
| 551 | N | 90.6 | Very high | 90.7 | Very high | 91 Ų | 91 | 91.5 Ų | 91.5 | 49% | 0.487 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.9 | -39.5 | 176.2 | -67.9 | -1.8 | 0 | 0 | 0 | 111.5 | Q547 A548 E549 T554 S555 | Q547-N551 PolarHBondContact NE2-OD1 2.82Å; Q547-N551 WeakPolarHBondContact O-CB 3.38Å; Q547-N551 PolarHBondContact O-N 3.28Å; Q547-N551 PolarHBondContact O-OD1 2.81Å; A548-N551 PolarHBondContact O-N 3.39Å; E549-N551 VanDerWaalsContact C-N 3.32Å; E549-N551 PolarHBondContact O-N 3.02Å; N551-T554 PolarHBondContact O-N 3.15Å; N551-S555 PolarHBondContact O-N 2.77Å |
| 552 | K | 93.9 | Very high | 90.3 | Very high | 115 Ų | 115 | 90 Ų | 90 | 50% | 0.5 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.1 | -47.8 | 172.5 | -74.6 | 163.9 | 173.9 | 179.4 | 0 | 111.8 | A548 E549 T554 S555 V556 | A548-K552 WeakPolarHBondContact O-CG 3.27Å; A548-K552 PolarHBondContact O-N 3.08Å; E549-K552 VanDerWaalsContact CD-NZ 3.3Å; E549-K552 WeakPolarHBondContact O-CB 3.47Å; E549-K552 PolarHBondContact O-N 2.86Å; E549-K552 IonicContact OE1-NZ 3.18Å; E549-K552 PolarHBondContact OE1-NZ 3.02Å; E549-K552 WeakPolarHBondContact OE2-CD 3.26Å; E549-K552 IonicContact OE2-NZ 3.33Å; E549-K552 PolarHBondContact OE2-NZ 3.48Å; K552-T554 VanDerWaalsContact C-N 3.31Å; K552-T554 PolarHBondContact O-N 3.14Å; K552-S555 CarbonylContact O-C 3.57Å; K552-S555 PolarHBondContact O-N 2.92Å; K552-V556 WeakPolarHBondContact O-CG2 3.37Å; K552-V556 PolarHBondContact O-N 3.07Å |
| 553 | V | 91.9 | Very high | 90 | Very high | 78 Ų | 78 | 93.5 Ų | 93.5 | 47% | 0.473 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.6 | -45.1 | 176.6 | 168.6 | 0 | 0 | 0 | 0 | 109.9 | E549 Q550 S555 V556 T557 | E549-V553 WeakPolarHBondContact O-CB 3.35Å; E549-V553 WeakPolarHBondContact O-CG2 3.15Å; E549-V553 PolarHBondContact O-N 3.44Å; Q550-V553 PolarHBondContact O-N 2.94Å; V553-S555 PolarHBondContact O-N 2.96Å; V553-V556 CarbonylContact O-C 3.54Å; V553-V556 PolarHBondContact O-N 2.98Å; V553-V556 VanDerWaalsContact O-N 3.14Å; V553-T557 PolarHBondContact O-N 2.91Å; V553-T557 PolarHBondContact O-OG1 3.39Å; V553-T557 VanDerWaalsContact O-OG1 3.1Å |
| 554 | T | 88.8 | Confident | 89.5 | Confident | 69 Ų | 69 | 93.4 Ų | 93.4 | 42% | 0.423 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.5 | -47.6 | 175.1 | -55.5 | 0 | 0 | 0 | 0 | 111.2 | Q550 N551 K552 V556 T557 E558 | Q550-T554 WeakPolarHBondContact O-CB 3.37Å; Q550-T554 PolarHBondContact O-N 2.91Å; Q550-T554 PolarHBondContact O-OG1 2.79Å; N551-T554 PolarHBondContact O-N 3.15Å; K552-T554 VanDerWaalsContact C-N 3.31Å; K552-T554 PolarHBondContact O-N 3.14Å; T554-V556 VanDerWaalsContact C-N 3.35Å; T554-V556 PolarHBondContact O-N 3.33Å; T554-T557 WeakPolarHBondContact CA-OG1 3.45Å; T554-T557 PolarHBondContact O-N 2.95Å; T554-T557 PolarHBondContact O-OG1 3.37Å; T554-E558 WeakPolarHBondContact O-CB 3.31Å; T554-E558 PolarHBondContact O-N 3.25Å |
| 555 | S | 91.1 | Very high | 89.2 | Confident | 41 Ų | 41 | 95.6 Ų | 95.6 | 29% | 0.287 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65 | -33.7 | 175.9 | -173.3 | 0 | 0 | 0 | 0 | 113.4 | N551 K552 V553 K559 | N551-S555 PolarHBondContact O-N 2.77Å; K552-S555 CarbonylContact O-C 3.57Å; K552-S555 PolarHBondContact O-N 2.92Å; V553-S555 PolarHBondContact O-N 2.96Å; S555-K559 WeakPolarHBondContact O-CB 3.45Å; S555-K559 WeakPolarHBondContact O-CD 3.22Å; S555-K559 VanDerWaalsContact O-CG 3.22Å; S555-K559 WeakPolarHBondContact O-CG 3.37Å; S555-K559 PolarHBondContact O-N 2.98Å |
| 556 | V | 90.9 | Very high | 89 | Confident | 93 Ų | 93 | 95.4 Ų | 95.4 | 56% | 0.564 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -69.8 | -42.8 | 174.1 | 169.3 | 0 | 0 | 0 | 0 | 110.7 | K552 V553 T554 K559 L560 | K552-V556 WeakPolarHBondContact O-CG2 3.37Å; K552-V556 PolarHBondContact O-N 3.07Å; V553-V556 CarbonylContact O-C 3.54Å; V553-V556 PolarHBondContact O-N 2.98Å; V553-V556 VanDerWaalsContact O-N 3.14Å; T554-V556 VanDerWaalsContact C-N 3.35Å; T554-V556 PolarHBondContact O-N 3.33Å; V556-K559 PolarHBondContact O-N 3.46Å; V556-L560 VanDerWaalsContact O-CB 3.27Å; V556-L560 WeakPolarHBondContact O-CB 3.32Å; V556-L560 PolarHBondContact O-N 2.9Å |
| 557 | T | 85.8 | Confident | 88.8 | Confident | 64 Ų | 64 | 92.4 Ų | 92.4 | 39% | 0.393 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.1 | -37.4 | 174.3 | 49.4 | 0 | 0 | 0 | 0 | 112.1 | V553 T554 L560 I561 | V553-T557 PolarHBondContact O-N 2.91Å; V553-T557 PolarHBondContact O-OG1 3.39Å; V553-T557 VanDerWaalsContact O-OG1 3.1Å; T554-T557 WeakPolarHBondContact CA-OG1 3.45Å; T554-T557 PolarHBondContact O-N 2.95Å; T554-T557 PolarHBondContact O-OG1 3.37Å; T557-L560 PolarHBondContact O-N 2.99Å; T557-I561 VanDerWaalsContact O-CB 3.3Å; T557-I561 WeakPolarHBondContact O-CB 3.46Å; T557-I561 WeakPolarHBondContact O-CD1 3.42Å; T557-I561 WeakPolarHBondContact O-CG1 3.37Å; T557-I561 PolarHBondContact O-N 3.39Å |
| 558 | E | 88.2 | Confident | 88.5 | Confident | 130 Ų | 130 | 92.8 Ų | 92.8 | 61% | 0.607 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.9 | -44.9 | 175.1 | -177.3 | 176.5 | -139 | 0 | 0 | 111.5 | T554 I561 E562 | T554-E558 WeakPolarHBondContact O-CB 3.31Å; T554-E558 PolarHBondContact O-N 3.25Å; E558-I561 PolarHBondContact O-N 3.24Å; E558-E562 PolarHBondContact O-N 3.49Å |
| 559 | K | 90.7 | Very high | 88.3 | Confident | 137 Ų | 137 | 97.2 Ų | 97.2 | 60% | 0.596 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.3 | -45 | 173 | -75.5 | 167.2 | -177 | 168.7 | 0 | 112 | S555 V556 I561 E562 E563 | S555-K559 WeakPolarHBondContact O-CB 3.45Å; S555-K559 WeakPolarHBondContact O-CD 3.22Å; S555-K559 VanDerWaalsContact O-CG 3.22Å; S555-K559 WeakPolarHBondContact O-CG 3.37Å; S555-K559 PolarHBondContact O-N 2.98Å; V556-K559 PolarHBondContact O-N 3.46Å; K559-I561 VanDerWaalsContact C-N 3.29Å; K559-I561 PolarHBondContact O-N 2.89Å; K559-E562 PolarHBondContact O-N 3.43Å; K559-E563 VanDerWaalsContact O-CB 3.28Å; K559-E563 WeakPolarHBondContact O-CB 3.34Å; K559-E563 PolarHBondContact O-N 2.83Å |
| 560 | L | 89.3 | Confident | 88.1 | Confident | 112 Ų | 112 | 95.4 Ų | 95.4 | 59% | 0.586 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.1 | -36.2 | 176.4 | -177.7 | 63.4 | 0 | 0 | 0 | 111.7 | V556 T557 S564 | V556-L560 VanDerWaalsContact O-CB 3.27Å; V556-L560 WeakPolarHBondContact O-CB 3.32Å; V556-L560 PolarHBondContact O-N 2.9Å; T557-L560 PolarHBondContact O-N 2.99Å; L560-S564 WeakPolarHBondContact O-CB 3.32Å; L560-S564 PolarHBondContact O-N 2.92Å |
| 561 | I | 87.3 | Confident | 88.1 | Confident | 95 Ų | 95 | 96.7 Ų | 96.7 | 49% | 0.487 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.9 | -43.5 | 174.1 | -75 | 163.5 | 0 | 0 | 0 | 111 | T557 E558 K559 S564 K565 | T557-I561 VanDerWaalsContact O-CB 3.3Å; T557-I561 WeakPolarHBondContact O-CB 3.46Å; T557-I561 WeakPolarHBondContact O-CD1 3.42Å; T557-I561 WeakPolarHBondContact O-CG1 3.37Å; T557-I561 PolarHBondContact O-N 3.39Å; E558-I561 PolarHBondContact O-N 3.24Å; K559-I561 VanDerWaalsContact C-N 3.29Å; K559-I561 PolarHBondContact O-N 2.89Å; I561-S564 PolarHBondContact O-N 3.42Å; I561-K565 HydrophobicContact CG2-CD 4.22Å; I561-K565 WeakPolarHBondContact O-CB 3.45Å; I561-K565 VanDerWaalsContact O-CG 3.27Å; I561-K565 WeakPolarHBondContact O-CG 3.42Å; I561-K565 PolarHBondContact O-N 3.07Å |
| 562 | E | 86.4 | Confident | 87.9 | Confident | 78 Ų | 78 | 95 Ų | 95 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -74.4 | -32.5 | 178.5 | -160.2 | 60.5 | -137.8 | 0 | 0 | 113 | E558 K559 K565 K566 R569 | E558-E562 PolarHBondContact O-N 3.49Å; K559-E562 PolarHBondContact O-N 3.43Å; E562-K565 PolarHBondContact O-N 3.38Å; E562-K565 WeakPolarHBondContact OE2-CD 3.33Å; E562-K565 WeakPolarHBondContact OE2-CE 3.49Å; E562-K565 IonicContact OE2-NZ 3.77Å; E562-K565 PolarHBondContact OE2-NZ 3.04Å; E562-K566 VanDerWaalsContact O-CB 3.26Å; E562-K566 WeakPolarHBondContact O-CB 3.38Å; E562-K566 PolarHBondContact O-N 2.99Å; E562-R569 IonicContact OE1-CZ 2.79Å; E562-R569 IonicContact OE1-NH1 3.79Å; E562-R569 PolarHBondContact OE1-NH1 3.28Å; E562-R569 IonicContact OE1-NH2 2.65Å; E562-R569 PolarHBondContact OE1-NH2 2.94Å |
| 563 | E | 85.4 | Confident | 87.5 | Confident | 137 Ų | 137 | 94.2 Ų | 94.2 | 64% | 0.64 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.3 | -40.9 | 169.8 | -174.1 | 158.6 | -143.6 | 0 | 0 | 111.4 | K559 K566 A567 | K559-E563 VanDerWaalsContact O-CB 3.28Å; K559-E563 WeakPolarHBondContact O-CB 3.34Å; K559-E563 PolarHBondContact O-N 2.83Å; E563-K566 PolarHBondContact O-N 2.62Å; E563-A567 WeakPolarHBondContact O-CB 3.4Å; E563-A567 PolarHBondContact O-N 3.49Å |
| 564 | S | 81.8 | Confident | 87.2 | Confident | 64 Ų | 64 | 96 Ų | 96 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -46.3 | 171.7 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | L560 I561 K566 A567 L568 | L560-S564 WeakPolarHBondContact O-CB 3.32Å; L560-S564 PolarHBondContact O-N 2.92Å; I561-S564 PolarHBondContact O-N 3.42Å; S564-K566 VanDerWaalsContact C-N 3.32Å; S564-K566 PolarHBondContact O-N 2.82Å; S564-A567 PolarHBondContact O-N 3.48Å; S564-L568 WeakPolarHBondContact O-CB 3.29Å; S564-L568 PolarHBondContact O-N 3.31Å |
| 565 | K | 88.1 | Confident | 86.9 | Confident | 92 Ų | 92 | 97.6 Ų | 97.6 | 40% | 0.4 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.3 | -42.4 | 171.8 | -73.6 | 162.4 | -178.6 | 163 | 0 | 111.5 | I561 E562 L568 R569 | I561-K565 HydrophobicContact CG2-CD 4.22Å; I561-K565 WeakPolarHBondContact O-CB 3.45Å; I561-K565 VanDerWaalsContact O-CG 3.27Å; I561-K565 WeakPolarHBondContact O-CG 3.42Å; I561-K565 PolarHBondContact O-N 3.07Å; E562-K565 PolarHBondContact O-N 3.38Å; E562-K565 WeakPolarHBondContact OE2-CD 3.33Å; E562-K565 WeakPolarHBondContact OE2-CE 3.49Å; E562-K565 IonicContact OE2-NZ 3.77Å; E562-K565 PolarHBondContact OE2-NZ 3.04Å; K565-L568 PolarHBondContact O-N 3.06Å; K565-R569 WeakPolarHBondContact O-CG 3.45Å; K565-R569 PolarHBondContact O-N 2.91Å |
| 566 | K | 88.3 | Confident | 86.8 | Confident | 148 Ų | 148 | 101 Ų | 101 | 64% | 0.643 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.6 | -41.6 | 178.6 | -174 | -178.4 | 177.8 | -174.1 | 0 | 111.7 | E562 E563 S564 R569 S570 | E562-K566 VanDerWaalsContact O-CB 3.26Å; E562-K566 WeakPolarHBondContact O-CB 3.38Å; E562-K566 PolarHBondContact O-N 2.99Å; E563-K566 PolarHBondContact O-N 2.62Å; S564-K566 VanDerWaalsContact C-N 3.32Å; S564-K566 PolarHBondContact O-N 2.82Å; K566-R569 PolarHBondContact O-N 3.27Å; K566-S570 PolarHBondContact O-N 3.48Å; K566-S570 PolarHBondContact O-OG 2.91Å |
| 567 | A | 86.6 | Confident | 86.6 | Confident | 55 Ų | 55 | 102.3 Ų | 102.3 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.1 | -34.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E563 S564 S570 K571 | E563-A567 WeakPolarHBondContact O-CB 3.4Å; E563-A567 PolarHBondContact O-N 3.49Å; S564-A567 PolarHBondContact O-N 3.48Å; A567-S570 PolarHBondContact O-OG 3.03Å; A567-K571 WeakPolarHBondContact O-CB 3.45Å; A567-K571 PolarHBondContact O-N 2.9Å |
| 568 | L | 86.4 | Confident | 86.5 | Confident | 111 Ų | 111 | 104.9 Ų | 104.9 | 58% | 0.581 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.1 | -42.5 | 171.6 | -85.2 | 158.6 | 0 | 0 | 0 | 112 | S564 K565 K571 A572 | S564-L568 WeakPolarHBondContact O-CB 3.29Å; S564-L568 PolarHBondContact O-N 3.31Å; K565-L568 PolarHBondContact O-N 3.06Å; L568-K571 PolarHBondContact O-N 2.79Å; L568-A572 WeakPolarHBondContact O-CB 3.46Å; L568-A572 PolarHBondContact O-N 3.24Å |
| 569 | R | 87.9 | Confident | 86.5 | Confident | 138 Ų | 138 | 101.3 Ų | 101.3 | 52% | 0.521 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.1 | -51.1 | 173.6 | -69.2 | 174 | -157 | 139.1 | 12.7 | 111.1 | E562 K565 K566 K571 A572 E573 | E562-R569 IonicContact OE1-CZ 2.79Å; E562-R569 IonicContact OE1-NH1 3.79Å; E562-R569 PolarHBondContact OE1-NH1 3.28Å; E562-R569 IonicContact OE1-NH2 2.65Å; E562-R569 PolarHBondContact OE1-NH2 2.94Å; K565-R569 WeakPolarHBondContact O-CG 3.45Å; K565-R569 PolarHBondContact O-N 2.91Å; K566-R569 PolarHBondContact O-N 3.27Å; R569-K571 VanDerWaalsContact C-N 3.34Å; R569-K571 PolarHBondContact O-N 3.3Å; R569-A572 WeakPolarHBondContact O-CB 3.22Å; R569-A572 PolarHBondContact O-N 2.85Å; R569-A572 VanDerWaalsContact O-N 3.13Å; R569-E573 PolarHBondContact O-N 3.46Å |
| 570 | S | 83.9 | Confident | 86.2 | Confident | 55 Ų | 55 | 100.1 Ų | 100.1 | 39% | 0.385 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.9 | -31.2 | -179.9 | 64.4 | 0 | 0 | 0 | 0 | 113.3 | K566 A567 L574 | K566-S570 PolarHBondContact O-N 3.48Å; K566-S570 PolarHBondContact O-OG 2.91Å; A567-S570 PolarHBondContact O-OG 3.03Å; S570-L574 WeakPolarHBondContact O-CG 3.43Å; S570-L574 PolarHBondContact O-N 3.14Å |
| 571 | K | 86.1 | Confident | 86 | Confident | 127 Ų | 127 | 97.3 Ų | 97.3 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.3 | -47.2 | 168.7 | -174.5 | -168.6 | 169.6 | -163.7 | 0 | 111 | A567 L568 R569 E573 L574 E575 | A567-K571 WeakPolarHBondContact O-CB 3.45Å; A567-K571 PolarHBondContact O-N 2.9Å; L568-K571 PolarHBondContact O-N 2.79Å; R569-K571 VanDerWaalsContact C-N 3.34Å; R569-K571 PolarHBondContact O-N 3.3Å; K571-E573 VanDerWaalsContact C-N 3.35Å; K571-E573 PolarHBondContact O-N 3.33Å; K571-L574 PolarHBondContact O-N 3.48Å; K571-L574 VanDerWaalsContact O-N 3.14Å; K571-E575 WeakPolarHBondContact O-CB 3.3Å; K571-E575 PolarHBondContact O-N 3.28Å |
| 572 | A | 86.3 | Confident | 85.9 | Confident | 57 Ų | 57 | 95.4 Ų | 95.4 | 47% | 0.471 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | L568 R569 L574 E575 E576 | L568-A572 WeakPolarHBondContact O-CB 3.46Å; L568-A572 PolarHBondContact O-N 3.24Å; R569-A572 WeakPolarHBondContact O-CB 3.22Å; R569-A572 PolarHBondContact O-N 2.85Å; R569-A572 VanDerWaalsContact O-N 3.13Å; A572-L574 VanDerWaalsContact C-N 3.31Å; A572-L574 PolarHBondContact O-N 2.84Å; A572-E575 PolarHBondContact O-N 2.86Å; A572-E576 WeakPolarHBondContact O-CB 3.47Å; A572-E576 PolarHBondContact O-N 3.43Å |
| 573 | E | 87 | Confident | 86.1 | Confident | 97 Ų | 97 | 97.1 Ų | 97.1 | 45% | 0.453 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.2 | -36.6 | 173 | -70.9 | 175.5 | -139.3 | 0 | 0 | 113.1 | R569 K571 K577 | R569-E573 PolarHBondContact O-N 3.46Å; K571-E573 VanDerWaalsContact C-N 3.35Å; K571-E573 PolarHBondContact O-N 3.33Å; E573-K577 WeakPolarHBondContact O-CB 3.46Å; E573-K577 VanDerWaalsContact O-CD 3.27Å; E573-K577 WeakPolarHBondContact O-CD 3.49Å; E573-K577 WeakPolarHBondContact O-CG 3.32Å; E573-K577 PolarHBondContact O-N 3.47Å; E573-K577 IonicContact OE2-NZ 2.63Å; E573-K577 PolarHBondContact OE2-NZ 2.78Å |
| 574 | L | 84.4 | Confident | 86.2 | Confident | 115 Ų | 115 | 96.5 Ų | 96.5 | 60% | 0.602 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -73.1 | -35.7 | 175.6 | -74 | 170.5 | 0 | 0 | 0 | 111.9 | S570 K571 A572 K577 M578 | S570-L574 WeakPolarHBondContact O-CG 3.43Å; S570-L574 PolarHBondContact O-N 3.14Å; K571-L574 PolarHBondContact O-N 3.48Å; K571-L574 VanDerWaalsContact O-N 3.14Å; A572-L574 VanDerWaalsContact C-N 3.31Å; A572-L574 PolarHBondContact O-N 2.84Å; L574-K577 PolarHBondContact O-N 3.14Å; L574-M578 VanDerWaalsContact O-CB 3.3Å; L574-M578 WeakPolarHBondContact O-CB 3.14Å; L574-M578 PolarHBondContact O-N 2.92Å |
| 575 | E | 83.5 | Confident | 86.4 | Confident | 104 Ų | 104 | 100.1 Ų | 100.1 | 49% | 0.486 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.2 | -37.5 | 176.4 | -166.4 | 162.7 | 173 | 0 | 0 | 111.3 | K571 A572 M578 C579 | K571-E575 WeakPolarHBondContact O-CB 3.3Å; K571-E575 PolarHBondContact O-N 3.28Å; A572-E575 PolarHBondContact O-N 2.86Å; E575-M578 HydrophobicContact CG-CE 4.41Å; E575-M578 PolarHBondContact O-N 3.37Å; E575-C579 WeakPolarHBondContact O-CB 3.34Å; E575-C579 PolarHBondContact O-N 3.18Å |
| 576 | E | 87.5 | Confident | 86.4 | Confident | 113 Ų | 113 | 99 Ų | 99 | 53% | 0.528 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.9 | -50.7 | 168.6 | 179.5 | 175.2 | -152.8 | 0 | 0 | 111.8 | A572 M578 C579 F580 | A572-E576 WeakPolarHBondContact O-CB 3.47Å; A572-E576 PolarHBondContact O-N 3.43Å; E576-M578 VanDerWaalsContact C-N 3.27Å; E576-M578 PolarHBondContact O-N 2.82Å; E576-C579 WeakPolarHBondContact O-CA 3.48Å; E576-C579 VanDerWaalsContact O-CB 3.32Å; E576-C579 WeakPolarHBondContact O-CB 3.43Å; E576-C579 PolarHBondContact O-N 3.26Å; E576-F580 HydrophobicContact CG-CD2 3.89Å; E576-F580 HydrophobicContact CG-CE2 3.8Å; E576-F580 WeakPolarHBondContact O-CD2 3.39Å; E576-F580 PolarHBondContact O-N 2.96Å |
| 577 | K | 87.8 | Confident | 86.5 | Confident | 119 Ų | 119 | 96.4 Ų | 96.4 | 52% | 0.517 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.3 | -37.9 | 176.9 | -73.5 | 161.2 | -169.9 | 154.9 | 0 | 111.9 | E573 L574 F580 A581 | E573-K577 WeakPolarHBondContact O-CB 3.46Å; E573-K577 VanDerWaalsContact O-CD 3.27Å; E573-K577 WeakPolarHBondContact O-CD 3.49Å; E573-K577 WeakPolarHBondContact O-CG 3.32Å; E573-K577 PolarHBondContact O-N 3.47Å; E573-K577 IonicContact OE2-NZ 2.63Å; E573-K577 PolarHBondContact OE2-NZ 2.78Å; L574-K577 PolarHBondContact O-N 3.14Å; K577-F580 PolarHBondContact O-N 3.05Å; K577-A581 WeakPolarHBondContact O-CB 3.45Å; K577-A581 PolarHBondContact O-N 3.07Å |
| 578 | M | 84.4 | Confident | 86.6 | Confident | 119 Ų | 119 | 99.2 Ų | 99.2 | 59% | 0.586 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.4 | -42 | 172.7 | -175.7 | 178.5 | 67.7 | 0 | 0 | 111.7 | L574 E575 E576 A581 T582 | L574-M578 VanDerWaalsContact O-CB 3.3Å; L574-M578 WeakPolarHBondContact O-CB 3.14Å; L574-M578 PolarHBondContact O-N 2.92Å; E575-M578 HydrophobicContact CG-CE 4.41Å; E575-M578 PolarHBondContact O-N 3.37Å; E576-M578 VanDerWaalsContact C-N 3.27Å; E576-M578 PolarHBondContact O-N 2.82Å; M578-A581 PolarHBondContact O-N 2.88Å; M578-T582 WeakPolarHBondContact O-CG2 3.44Å; M578-T582 PolarHBondContact O-N 2.96Å; M578-T582 PolarHBondContact O-OG1 3.24Å |
| 579 | C | 86.4 | Confident | 86.7 | Confident | 54 Ų | 54 | 99.8 Ų | 99.8 | 37% | 0.365 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 175 | -176.2 | 0 | 0 | 0 | 0 | 111.5 | E575 E576 T582 K583 | E575-C579 WeakPolarHBondContact O-CB 3.34Å; E575-C579 PolarHBondContact O-N 3.18Å; E576-C579 WeakPolarHBondContact O-CA 3.48Å; E576-C579 VanDerWaalsContact O-CB 3.32Å; E576-C579 WeakPolarHBondContact O-CB 3.43Å; E576-C579 PolarHBondContact O-N 3.26Å; C579-T582 WeakPolarHBondContact CA-OG1 3.45Å; C579-T582 PolarHBondContact O-N 3.24Å; C579-T582 PolarHBondContact O-OG1 3.48Å; C579-K583 WeakPolarHBondContact O-CG 3.43Å; C579-K583 PolarHBondContact O-N 2.8Å |
| 580 | F | 86 | Confident | 86.7 | Confident | 113 Ų | 113 | 95.9 Ų | 95.9 | 50% | 0.496 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.9 | -50.7 | 171.8 | -84.5 | -78 | 0 | 0 | 0 | 112 | E576 K577 T582 K583 E584 | E576-F580 HydrophobicContact CG-CD2 3.89Å; E576-F580 HydrophobicContact CG-CE2 3.8Å; E576-F580 WeakPolarHBondContact O-CD2 3.39Å; E576-F580 PolarHBondContact O-N 2.96Å; K577-F580 PolarHBondContact O-N 3.05Å; F580-T582 VanDerWaalsContact C-N 3.28Å; F580-T582 PolarHBondContact O-N 3.31Å; F580-K583 WeakPolarHBondContact O-CB 3.18Å; F580-K583 PolarHBondContact O-N 2.86Å; F580-E584 PolarHBondContact O-N 2.65Å |
| 581 | A | 85.1 | Confident | 87.1 | Confident | 52 Ų | 52 | 99.2 Ų | 99.2 | 43% | 0.43 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.6 | -33.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K577 M578 R585 | K577-A581 WeakPolarHBondContact O-CB 3.45Å; K577-A581 PolarHBondContact O-N 3.07Å; M578-A581 PolarHBondContact O-N 2.88Å; A581-R585 VanDerWaalsContact O-CB 3.25Å; A581-R585 WeakPolarHBondContact O-CB 3.29Å; A581-R585 PolarHBondContact O-N 2.85Å |
| 582 | T | 84.7 | Confident | 87.1 | Confident | 55 Ų | 55 | 97.9 Ų | 97.9 | 34% | 0.337 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.6 | -36.4 | 173.6 | 53.8 | 0 | 0 | 0 | 0 | 113.1 | M578 C579 F580 R585 D586 | M578-T582 WeakPolarHBondContact O-CG2 3.44Å; M578-T582 PolarHBondContact O-N 2.96Å; M578-T582 PolarHBondContact O-OG1 3.24Å; C579-T582 WeakPolarHBondContact CA-OG1 3.45Å; C579-T582 PolarHBondContact O-N 3.24Å; C579-T582 PolarHBondContact O-OG1 3.48Å; F580-T582 VanDerWaalsContact C-N 3.28Å; F580-T582 PolarHBondContact O-N 3.31Å; T582-R585 PolarHBondContact O-N 2.83Å; T582-D586 WeakPolarHBondContact O-CB 3.4Å; T582-D586 PolarHBondContact O-N 2.86Å |
| 583 | K | 89.4 | Confident | 87.2 | Confident | 114 Ų | 114 | 102.1 Ų | 102.1 | 50% | 0.496 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.8 | -49 | 172.8 | -69.4 | 167.6 | -178.3 | 169.2 | 0 | 110.7 | C579 F580 R585 D586 D587 | C579-K583 WeakPolarHBondContact O-CG 3.43Å; C579-K583 PolarHBondContact O-N 2.8Å; F580-K583 WeakPolarHBondContact O-CB 3.18Å; F580-K583 PolarHBondContact O-N 2.86Å; K583-R585 VanDerWaalsContact C-N 3.32Å; K583-R585 PolarHBondContact O-N 2.82Å; K583-D586 PolarHBondContact O-N 3.17Å; K583-D587 PolarHBondContact O-N 3.26Å |
| 584 | E | 87.9 | Confident | 87.2 | Confident | 125 Ų | 125 | 100.5 Ų | 100.5 | 58% | 0.584 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.1 | -42.3 | 176.2 | -69.4 | -175.6 | 146 | 0 | 0 | 112 | F580 D586 D587 L588 | F580-E584 PolarHBondContact O-N 2.65Å; E584-D586 VanDerWaalsContact C-N 3.33Å; E584-D586 PolarHBondContact O-N 3.45Å; E584-D587 PolarHBondContact O-N 3.39Å; E584-L588 VanDerWaalsContact O-CB 3.29Å; E584-L588 WeakPolarHBondContact O-CB 3.5Å; E584-L588 WeakPolarHBondContact O-CG 3.45Å; E584-L588 PolarHBondContact O-N 3.1Å |
| 585 | R | 87 | Confident | 87.3 | Confident | 139 Ų | 139 | 99.8 Ų | 99.8 | 53% | 0.525 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.9 | -44.4 | 173.1 | -177.2 | -155.1 | 72.1 | -173.4 | -6.8 | 111.6 | A581 T582 K583 L588 K589 | A581-R585 VanDerWaalsContact O-CB 3.25Å; A581-R585 WeakPolarHBondContact O-CB 3.29Å; A581-R585 PolarHBondContact O-N 2.85Å; T582-R585 PolarHBondContact O-N 2.83Å; K583-R585 VanDerWaalsContact C-N 3.32Å; K583-R585 PolarHBondContact O-N 2.82Å; R585-L588 PolarHBondContact O-N 3.11Å; R585-K589 VanDerWaalsContact O-CB 3.28Å; R585-K589 WeakPolarHBondContact O-CB 3.45Å; R585-K589 PolarHBondContact O-N 2.95Å |
| 586 | D | 88.3 | Confident | 87.5 | Confident | 68 Ų | 68 | 98.6 Ų | 98.6 | 36% | 0.364 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -78 | -31.4 | -176.1 | -70 | -20.7 | 0 | 0 | 0 | 112.5 | T582 K583 E584 K589 A590 | T582-D586 WeakPolarHBondContact O-CB 3.4Å; T582-D586 PolarHBondContact O-N 2.86Å; K583-D586 PolarHBondContact O-N 3.17Å; E584-D586 VanDerWaalsContact C-N 3.33Å; E584-D586 PolarHBondContact O-N 3.45Å; D586-K589 PolarHBondContact O-N 3.45Å; D586-A590 WeakPolarHBondContact O-CB 3.45Å; D586-A590 PolarHBondContact O-N 3.04Å |
| 587 | D | 90.6 | Very high | 87.5 | Confident | 94 Ų | 94 | 98 Ų | 98 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 166.6 | -75.1 | -22.4 | 0 | 0 | 0 | 111.8 | K583 E584 K589 A590 K591 | K583-D587 PolarHBondContact O-N 3.26Å; E584-D587 PolarHBondContact O-N 3.39Å; D587-K589 VanDerWaalsContact C-N 3.32Å; D587-A590 PolarHBondContact O-N 3.22Å; D587-K591 WeakPolarHBondContact O-CB 3.18Å; D587-K591 WeakPolarHBondContact O-CD 3.26Å; D587-K591 VanDerWaalsContact O-CG 3.26Å; D587-K591 WeakPolarHBondContact O-CG 3.46Å; D587-K591 PolarHBondContact O-N 3.39Å |
| 588 | L | 87.4 | Confident | 87.5 | Confident | 114 Ų | 114 | 99 Ų | 99 | 60% | 0.597 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.5 | -37.5 | 173.3 | -74.8 | 169 | 0 | 0 | 0 | 111.4 | E584 R585 K591 L592 | E584-L588 VanDerWaalsContact O-CB 3.29Å; E584-L588 WeakPolarHBondContact O-CB 3.5Å; E584-L588 WeakPolarHBondContact O-CG 3.45Å; E584-L588 PolarHBondContact O-N 3.1Å; R585-L588 PolarHBondContact O-N 3.11Å; L588-K591 PolarHBondContact O-N 2.84Å; L588-L592 WeakPolarHBondContact O-CB 3.43Å; L588-L592 PolarHBondContact O-N 2.9Å |
| 589 | K | 88.4 | Confident | 87.5 | Confident | 124 Ų | 124 | 98.2 Ų | 98.2 | 54% | 0.539 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.1 | -34.7 | 175.7 | -168.4 | 175.6 | -177.1 | 178.9 | 0 | 112.2 | R585 D586 D587 R593 | R585-K589 VanDerWaalsContact O-CB 3.28Å; R585-K589 WeakPolarHBondContact O-CB 3.45Å; R585-K589 PolarHBondContact O-N 2.95Å; D586-K589 PolarHBondContact O-N 3.45Å; D587-K589 VanDerWaalsContact C-N 3.32Å; K589-R593 WeakPolarHBondContact O-CG 3.4Å; K589-R593 PolarHBondContact O-N 3.47Å |
| 590 | A | 89.3 | Confident | 87.5 | Confident | 55 Ų | 55 | 101.1 Ų | 101.1 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.5 | -44.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D586 D587 L592 R593 T594 | D586-A590 WeakPolarHBondContact O-CB 3.45Å; D586-A590 PolarHBondContact O-N 3.04Å; D587-A590 PolarHBondContact O-N 3.22Å; A590-L592 PolarHBondContact O-N 2.64Å; A590-R593 WeakPolarHBondContact O-CB 3.39Å; A590-R593 PolarHBondContact O-N 2.88Å; A590-T594 PolarHBondContact O-N 2.94Å |
| 591 | K | 90.6 | Very high | 87.6 | Confident | 125 Ų | 125 | 101.3 Ų | 101.3 | 54% | 0.543 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.4 | -46.3 | 172.4 | -71 | 160.9 | -173 | 165.2 | 0 | 111.2 | D587 L588 R593 T594 E595 | D587-K591 WeakPolarHBondContact O-CB 3.18Å; D587-K591 WeakPolarHBondContact O-CD 3.26Å; D587-K591 VanDerWaalsContact O-CG 3.26Å; D587-K591 WeakPolarHBondContact O-CG 3.46Å; D587-K591 PolarHBondContact O-N 3.39Å; L588-K591 PolarHBondContact O-N 2.84Å; K591-R593 PolarHBondContact O-N 2.94Å; K591-T594 PolarHBondContact O-N 2.9Å; K591-T594 VanDerWaalsContact O-N 3.17Å; K591-T594 PolarHBondContact O-OG1 3.36Å; K591-E595 PolarHBondContact O-N 2.97Å |
| 592 | L | 86.9 | Confident | 87.7 | Confident | 99 Ų | 99 | 103.7 Ų | 103.7 | 52% | 0.518 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58 | -45.6 | 175.3 | -179.4 | 62.5 | 0 | 0 | 0 | 111.8 | L588 A590 T594 E595 E596 | L588-L592 WeakPolarHBondContact O-CB 3.43Å; L588-L592 PolarHBondContact O-N 2.9Å; A590-L592 PolarHBondContact O-N 2.64Å; L592-T594 VanDerWaalsContact C-N 3.33Å; L592-T594 PolarHBondContact O-N 3.21Å; L592-E595 CarbonylContact O-C 3.55Å; L592-E595 PolarHBondContact O-N 3.04Å; L592-E595 VanDerWaalsContact O-N 3.14Å; L592-E596 HydrophobicContact CD1-CG 4.48Å; L592-E596 HydrophobicContact CG-CG 4.42Å; L592-E596 WeakPolarHBondContact O-CG 3.44Å; L592-E596 PolarHBondContact O-N 3.29Å |
| 593 | R | 88.6 | Confident | 87.6 | Confident | 147 Ų | 147 | 106.5 Ų | 106.5 | 56% | 0.555 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -56.6 | -44.3 | 174.6 | -71.8 | -88.9 | -136.2 | 127.6 | 6.9 | 112.3 | K589 A590 K591 E595 E596 E597 | K589-R593 WeakPolarHBondContact O-CG 3.4Å; K589-R593 PolarHBondContact O-N 3.47Å; A590-R593 WeakPolarHBondContact O-CB 3.39Å; A590-R593 PolarHBondContact O-N 2.88Å; K591-R593 PolarHBondContact O-N 2.94Å; R593-E595 VanDerWaalsContact C-N 3.31Å; R593-E595 PolarHBondContact O-N 3.42Å; R593-E596 WeakPolarHBondContact O-CB 3.3Å; R593-E596 PolarHBondContact O-N 3.47Å; R593-E597 WeakPolarHBondContact O-CB 3.38Å; R593-E597 WeakPolarHBondContact O-CG 3.34Å; R593-E597 PolarHBondContact O-N 3.49Å |
| 594 | T | 87.8 | Confident | 87.5 | Confident | 63 Ų | 63 | 104.4 Ų | 104.4 | 39% | 0.387 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.4 | -30.4 | 178.1 | 58 | 0 | 0 | 0 | 0 | 113.1 | A590 K591 L592 R598 | A590-T594 PolarHBondContact O-N 2.94Å; K591-T594 PolarHBondContact O-N 2.9Å; K591-T594 VanDerWaalsContact O-N 3.17Å; K591-T594 PolarHBondContact O-OG1 3.36Å; L592-T594 VanDerWaalsContact C-N 3.33Å; L592-T594 PolarHBondContact O-N 3.21Å; T594-R598 WeakPolarHBondContact O-CG 3.5Å; T594-R598 PolarHBondContact O-N 3.17Å |
| 595 | E | 85.6 | Confident | 87.5 | Confident | 99 Ų | 99 | 104.9 Ų | 104.9 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -79 | -31.5 | 172.1 | -67 | -52.4 | 129.3 | 0 | 0 | 112.8 | K591 L592 R593 E597 R598 N599 | K591-E595 PolarHBondContact O-N 2.97Å; L592-E595 CarbonylContact O-C 3.55Å; L592-E595 PolarHBondContact O-N 3.04Å; L592-E595 VanDerWaalsContact O-N 3.14Å; R593-E595 VanDerWaalsContact C-N 3.31Å; R593-E595 PolarHBondContact O-N 3.42Å; E595-E597 VanDerWaalsContact C-N 3.29Å; E595-E597 PolarHBondContact O-N 3.43Å; E595-R598 PolarHBondContact O-N 3.05Å; E595-R598 WeakPolarHBondContact OE1-CD 3.43Å; E595-R598 IonicContact OE1-CZ 3.7Å; E595-R598 IonicContact OE1-NE 2.68Å; E595-R598 IonicContact OE1-NH1 2.74Å; E595-R598 PolarHBondContact OE1-NH1 3.26Å; E595-N599 WeakPolarHBondContact O-CB 3.48Å; E595-N599 PolarHBondContact O-N 2.78Å |
| 596 | E | 87.1 | Confident | 87.3 | Confident | 79 Ų | 79 | 102.4 Ų | 102.4 | 37% | 0.369 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -36.5 | 168.4 | -74.1 | 174.9 | -177.2 | 0 | 0 | 111.5 | L592 R593 N599 K600 | L592-E596 HydrophobicContact CD1-CG 4.48Å; L592-E596 HydrophobicContact CG-CG 4.42Å; L592-E596 WeakPolarHBondContact O-CG 3.44Å; L592-E596 PolarHBondContact O-N 3.29Å; R593-E596 WeakPolarHBondContact O-CB 3.3Å; R593-E596 PolarHBondContact O-N 3.47Å; E596-N599 PolarHBondContact O-N 2.92Å; E596-K600 WeakPolarHBondContact O-CD 3.22Å; E596-K600 VanDerWaalsContact O-CG 3.26Å; E596-K600 WeakPolarHBondContact O-CG 3.19Å; E596-K600 PolarHBondContact O-N 2.96Å |
| 597 | E | 88.7 | Confident | 86.9 | Confident | 101 Ų | 101 | 102.2 Ų | 102.2 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.7 | -45.9 | 174.8 | -74.8 | 161.6 | -170 | 0 | 0 | 111.1 | R593 E595 N599 K600 D601 | R593-E597 WeakPolarHBondContact O-CB 3.38Å; R593-E597 WeakPolarHBondContact O-CG 3.34Å; R593-E597 PolarHBondContact O-N 3.49Å; E595-E597 VanDerWaalsContact C-N 3.29Å; E595-E597 PolarHBondContact O-N 3.43Å; E597-N599 VanDerWaalsContact C-N 3.28Å; E597-N599 PolarHBondContact O-N 3.14Å; E597-K600 PolarHBondContact O-N 3.03Å; E597-D601 PolarHBondContact O-N 3.39Å |
| 598 | R | 87.9 | Confident | 86.6 | Confident | 140 Ų | 140 | 103.6 Ų | 103.6 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.7 | -38.2 | 169.7 | -75 | -178 | 176.5 | 104.8 | 13.7 | 112.8 | T594 E595 D601 L602 | T594-R598 WeakPolarHBondContact O-CG 3.5Å; T594-R598 PolarHBondContact O-N 3.17Å; E595-R598 PolarHBondContact O-N 3.05Å; E595-R598 WeakPolarHBondContact OE1-CD 3.43Å; E595-R598 IonicContact OE1-CZ 3.7Å; E595-R598 IonicContact OE1-NE 2.68Å; E595-R598 IonicContact OE1-NH1 2.74Å; E595-R598 PolarHBondContact OE1-NH1 3.26Å; R598-D601 PolarHBondContact O-N 3.47Å; R598-L602 WeakPolarHBondContact O-CB 3.43Å; R598-L602 VanDerWaalsContact O-CG 3.3Å; R598-L602 WeakPolarHBondContact O-CG 3.33Å; R598-L602 PolarHBondContact O-N 3.38Å |
| 599 | N | 83.4 | Confident | 86.2 | Confident | 103 Ų | 103 | 104.3 Ų | 104.3 | 55% | 0.551 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.8 | -37.9 | 178.1 | -165.1 | 15 | 0 | 0 | 0 | 111.4 | E595 E596 E597 L602 E603 | E595-N599 WeakPolarHBondContact O-CB 3.48Å; E595-N599 PolarHBondContact O-N 2.78Å; E596-N599 PolarHBondContact O-N 2.92Å; E597-N599 VanDerWaalsContact C-N 3.28Å; E597-N599 PolarHBondContact O-N 3.14Å; N599-L602 PolarHBondContact O-N 2.81Å; N599-E603 VanDerWaalsContact O-CB 3.26Å; N599-E603 WeakPolarHBondContact O-CB 3.41Å; N599-E603 PolarHBondContact O-N 3.24Å |
| 600 | K | 87.7 | Confident | 85.7 | Confident | 114 Ų | 114 | 103.7 Ų | 103.7 | 50% | 0.496 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 171.6 | -72.5 | 159.1 | -169.1 | 154.1 | 0 | 112.2 | E596 E597 E603 S604 | E596-K600 WeakPolarHBondContact O-CD 3.22Å; E596-K600 VanDerWaalsContact O-CG 3.26Å; E596-K600 WeakPolarHBondContact O-CG 3.19Å; E596-K600 PolarHBondContact O-N 2.96Å; E597-K600 PolarHBondContact O-N 3.03Å; K600-E603 PolarHBondContact O-N 3.44Å; K600-S604 WeakPolarHBondContact O-CB 3.38Å; K600-S604 PolarHBondContact O-N 2.67Å |
| 601 | D | 87.5 | Confident | 85.1 | Confident | 117 Ų | 117 | 108.3 Ų | 108.3 | 63% | 0.626 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.7 | -47.2 | 172.9 | -88.2 | -1.8 | 0 | 0 | 0 | 111.2 | E597 R598 S604 K605 | E597-D601 PolarHBondContact O-N 3.39Å; R598-D601 PolarHBondContact O-N 3.47Å; D601-S604 PolarHBondContact O-N 2.76Å; D601-S604 PolarHBondContact O-OG 3.44Å; D601-K605 WeakPolarHBondContact O-CB 3.08Å; D601-K605 PolarHBondContact O-N 2.85Å |
| 602 | L | 86.1 | Confident | 84.5 | Confident | 103 Ų | 103 | 110.9 Ų | 110.9 | 54% | 0.539 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 174.9 | -72.3 | 170.2 | 0 | 0 | 0 | 112.1 | R598 N599 K605 V606 | R598-L602 WeakPolarHBondContact O-CB 3.43Å; R598-L602 VanDerWaalsContact O-CG 3.3Å; R598-L602 WeakPolarHBondContact O-CG 3.33Å; R598-L602 PolarHBondContact O-N 3.38Å; N599-L602 PolarHBondContact O-N 2.81Å; L602-K605 WeakPolarHBondContact O-CB 3.27Å; L602-K605 PolarHBondContact O-N 3.45Å; L602-V606 WeakPolarHBondContact O-CB 3.34Å; L602-V606 VanDerWaalsContact O-CG2 3.3Å; L602-V606 WeakPolarHBondContact O-CG2 3.27Å; L602-V606 PolarHBondContact O-N 3.45Å |
| 603 | E | 84.5 | Confident | 83.6 | Confident | 114 Ų | 114 | 111.6 Ų | 111.6 | 53% | 0.533 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.2 | -37.4 | 176.4 | -179.4 | 173.7 | -156.7 | 0 | 0 | 111.7 | N599 K600 K605 V606 N607 | N599-E603 VanDerWaalsContact O-CB 3.26Å; N599-E603 WeakPolarHBondContact O-CB 3.41Å; N599-E603 PolarHBondContact O-N 3.24Å; K600-E603 PolarHBondContact O-N 3.44Å; E603-K605 VanDerWaalsContact C-N 3.32Å; E603-K605 PolarHBondContact O-N 2.87Å; E603-V606 PolarHBondContact O-N 2.93Å; E603-N607 WeakPolarHBondContact CG-ND2 3.36Å; E603-N607 VanDerWaalsContact O-CB 3.31Å; E603-N607 WeakPolarHBondContact O-CB 3.35Å; E603-N607 PolarHBondContact O-N 3.2Å; E603-N607 PolarHBondContact O-ND2 3.38Å |
| 604 | S | 85.7 | Confident | 82.5 | Confident | 69 Ų | 69 | 109.1 Ų | 109.1 | 48% | 0.483 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 173.5 | 84.2 | 0 | 0 | 0 | 0 | 111.2 | K600 D601 N607 M608 | K600-S604 WeakPolarHBondContact O-CB 3.38Å; K600-S604 PolarHBondContact O-N 2.67Å; D601-S604 PolarHBondContact O-N 2.76Å; D601-S604 PolarHBondContact O-OG 3.44Å; S604-N607 PolarHBondContact O-N 2.85Å; S604-M608 WeakPolarHBondContact O-CB 3.13Å; S604-M608 PolarHBondContact O-N 2.9Å |
| 605 | K | 88.3 | Confident | 81.2 | Confident | 136 Ų | 136 | 109.3 Ų | 109.3 | 59% | 0.591 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.2 | -41.3 | 177.3 | -163.8 | 173.3 | -175.1 | 175.7 | 0 | 111.5 | D601 L602 E603 M608 M609 | D601-K605 WeakPolarHBondContact O-CB 3.08Å; D601-K605 PolarHBondContact O-N 2.85Å; L602-K605 WeakPolarHBondContact O-CB 3.27Å; L602-K605 PolarHBondContact O-N 3.45Å; E603-K605 VanDerWaalsContact C-N 3.32Å; E603-K605 PolarHBondContact O-N 2.87Å; K605-M608 PolarHBondContact O-N 2.85Å; K605-M609 WeakPolarHBondContact O-CG 3.29Å; K605-M609 PolarHBondContact O-N 2.73Å |
| 606 | V | 82.4 | Confident | 79.9 | Confident | 86 Ų | 86 | 109.9 Ų | 109.9 | 52% | 0.521 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 171.5 | 166.9 | 0 | 0 | 0 | 0 | 110.9 | L602 E603 M608 M609 K610 | L602-V606 WeakPolarHBondContact O-CB 3.34Å; L602-V606 VanDerWaalsContact O-CG2 3.3Å; L602-V606 WeakPolarHBondContact O-CG2 3.27Å; L602-V606 PolarHBondContact O-N 3.45Å; E603-V606 PolarHBondContact O-N 2.93Å; V606-M608 PolarHBondContact O-N 3.21Å; V606-M609 CarbonylContact O-C 3.55Å; V606-M609 PolarHBondContact O-N 2.66Å; V606-K610 VanDerWaalsContact O-CB 3.24Å; V606-K610 WeakPolarHBondContact O-CB 3.38Å; V606-K610 PolarHBondContact O-N 3.25Å |
| 607 | N | 81.3 | Confident | 78.3 | Confident | 65 Ų | 65 | 110 Ų | 110 | 35% | 0.348 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.9 | -33.4 | 175.7 | -83.9 | -59.3 | 0 | 0 | 0 | 112.6 | E603 S604 K610 K611 | E603-N607 WeakPolarHBondContact CG-ND2 3.36Å; E603-N607 VanDerWaalsContact O-CB 3.31Å; E603-N607 WeakPolarHBondContact O-CB 3.35Å; E603-N607 PolarHBondContact O-N 3.2Å; E603-N607 PolarHBondContact O-ND2 3.38Å; S604-N607 PolarHBondContact O-N 2.85Å; N607-K610 PolarHBondContact O-N 3.49Å; N607-K611 WeakPolarHBondContact O-CB 3.28Å; N607-K611 WeakPolarHBondContact O-CG 3.3Å; N607-K611 PolarHBondContact O-N 2.94Å |
| 608 | M | 83.9 | Confident | 76.6 | Confident | 123 Ų | 123 | 109.8 Ų | 109.8 | 61% | 0.606 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.9 | -43.7 | 170.9 | -169.7 | -173.1 | -64.6 | 0 | 0 | 111.4 | S604 K605 V606 K611 R612 | S604-M608 WeakPolarHBondContact O-CB 3.13Å; S604-M608 PolarHBondContact O-N 2.9Å; K605-M608 PolarHBondContact O-N 2.85Å; V606-M608 PolarHBondContact O-N 3.21Å; M608-K611 PolarHBondContact O-N 3.31Å; M608-R612 PolarHBondContact O-N 3.33Å; M608-R612 VanDerWaalsContact O-N 3.08Å |
| 609 | M | 78.2 | Confident | 74.9 | Confident | 129 Ų | 129 | 109.6 Ų | 109.6 | 64% | 0.635 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63 | -41.3 | 172.8 | -73.6 | -179.7 | 66.4 | 0 | 0 | 111.9 | K605 V606 R612 L613 | K605-M609 WeakPolarHBondContact O-CG 3.29Å; K605-M609 PolarHBondContact O-N 2.73Å; V606-M609 CarbonylContact O-C 3.55Å; V606-M609 PolarHBondContact O-N 2.66Å; M609-R612 WeakPolarHBondContact O-CB 3.32Å; M609-R612 PolarHBondContact O-N 2.91Å; M609-L613 WeakPolarHBondContact O-CB 3.43Å; M609-L613 PolarHBondContact O-N 2.74Å |
| 610 | K | 78.1 | Confident | 73 | Confident | 110 Ų | 110 | 111.9 Ų | 111.9 | 48% | 0.478 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.5 | -40 | 178.8 | -171.2 | 174.7 | -178.8 | 178.2 | 0 | 111.9 | V606 N607 L613 Q614 | V606-K610 VanDerWaalsContact O-CB 3.24Å; V606-K610 WeakPolarHBondContact O-CB 3.38Å; V606-K610 PolarHBondContact O-N 3.25Å; N607-K610 PolarHBondContact O-N 3.49Å; K610-L613 PolarHBondContact O-N 3.23Å; K610-Q614 WeakPolarHBondContact O-CB 3.47Å; K610-Q614 VanDerWaalsContact O-CG 3.27Å; K610-Q614 WeakPolarHBondContact O-CG 3.4Å; K610-Q614 PolarHBondContact O-N 2.96Å |
| 611 | K | 77.8 | Confident | 71.1 | Confident | 152 Ų | 152 | 114.4 Ų | 114.4 | 66% | 0.661 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.4 | -42.6 | 172.1 | -75.4 | 177.6 | 178.7 | -178.6 | 0 | 112 | N607 M608 Q614 S615 | N607-K611 WeakPolarHBondContact O-CB 3.28Å; N607-K611 WeakPolarHBondContact O-CG 3.3Å; N607-K611 PolarHBondContact O-N 2.94Å; M608-K611 PolarHBondContact O-N 3.31Å; K611-Q614 PolarHBondContact O-N 3.11Å; K611-S615 PolarHBondContact O-N 3.15Å; K611-S615 PolarHBondContact O-OG 3.44Å; K611-S615 VanDerWaalsContact O-OG 3.14Å |
| 612 | R | 76.8 | Confident | 68.8 | Low | 180 Ų | 180 | 117.9 Ų | 117.9 | 68% | 0.679 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -59.5 | -45.3 | 172.2 | -101.5 | 179.6 | 162.6 | 148.7 | -4.5 | 112.2 | M608 M609 S615 L616 | M608-R612 PolarHBondContact O-N 3.33Å; M608-R612 VanDerWaalsContact O-N 3.08Å; M609-R612 WeakPolarHBondContact O-CB 3.32Å; M609-R612 PolarHBondContact O-N 2.91Å; R612-S615 PolarHBondContact O-N 2.88Å; R612-S615 PolarHBondContact O-OG 3.43Å; R612-L616 PolarHBondContact O-N 3.08Å |
| 613 | L | 68.8 | Low | 66.3 | Low | 113 Ų | 113 | 121.9 Ų | 121.9 | 59% | 0.592 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -61.7 | -51.4 | 177.8 | -169.8 | 68.2 | 0 | 0 | 0 | 110.4 | M609 K610 S615 L616 E617 | M609-L613 WeakPolarHBondContact O-CB 3.43Å; M609-L613 PolarHBondContact O-N 2.74Å; K610-L613 PolarHBondContact O-N 3.23Å; L613-S615 VanDerWaalsContact C-N 3.3Å; L613-S615 PolarHBondContact O-N 3.41Å; L613-L616 PolarHBondContact O-N 3.12Å; L613-E617 WeakPolarHBondContact O-CB 3.5Å; L613-E617 PolarHBondContact O-N 3.37Å |
| 614 | Q | 65.6 | Low | 63.8 | Low | 96 Ų | 96 | 122.9 Ų | 122.9 | 45% | 0.449 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60.6 | -34 | 179.8 | -74.5 | 178 | -43.5 | 0 | 0 | 113.4 | K610 K611 L616 E617 T618 | K610-Q614 WeakPolarHBondContact O-CB 3.47Å; K610-Q614 VanDerWaalsContact O-CG 3.27Å; K610-Q614 WeakPolarHBondContact O-CG 3.4Å; K610-Q614 PolarHBondContact O-N 2.96Å; K611-Q614 PolarHBondContact O-N 3.11Å; Q614-L616 VanDerWaalsContact C-N 3.31Å; Q614-L616 PolarHBondContact O-N 2.8Å; Q614-E617 PolarHBondContact O-N 3.24Å; Q614-T618 PolarHBondContact O-N 3.35Å; Q614-T618 VanDerWaalsContact O-N 3.15Å; Q614-T618 PolarHBondContact O-OG1 3.03Å |
| 615 | S | 60.9 | Low | 61 | Low | 67 Ų | 67 | 130.3 Ų | 130.3 | 47% | 0.469 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -70.9 | -21.7 | 174.4 | 53.8 | 0 | 0 | 0 | 0 | 114.6 | K611 R612 L613 T618 | K611-S615 PolarHBondContact O-N 3.15Å; K611-S615 PolarHBondContact O-OG 3.44Å; K611-S615 VanDerWaalsContact O-OG 3.14Å; R612-S615 PolarHBondContact O-N 2.88Å; R612-S615 PolarHBondContact O-OG 3.43Å; L613-S615 VanDerWaalsContact C-N 3.3Å; L613-S615 PolarHBondContact O-N 3.41Å; S615-T618 PolarHBondContact O-OG1 2.92Å |
| 616 | L | 57 | Low | 58 | Low | 111 Ų | 111 | 130.2 Ų | 130.2 | 58% | 0.581 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -86.8 | -40.4 | 171.2 | -67.4 | 165.3 | 0 | 0 | 0 | 110.5 | R612 L613 Q614 T618 I619 E620 | R612-L616 PolarHBondContact O-N 3.08Å; L613-L616 PolarHBondContact O-N 3.12Å; Q614-L616 VanDerWaalsContact C-N 3.31Å; Q614-L616 PolarHBondContact O-N 2.8Å; L616-T618 PolarHBondContact O-N 3.11Å; L616-T618 VanDerWaalsContact O-N 3.15Å; L616-I619 PolarHBondContact O-N 2.86Å; L616-E620 PolarHBondContact O-N 3.45Å; L616-E620 VanDerWaalsContact O-N 3.12Å |
| 617 | E | 54 | Low | 55.4 | Low | 80 Ų | 80 | 136 Ų | 136 | 37% | 0.374 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -59.6 | -23.8 | 177.2 | -151.7 | -160.1 | 138.4 | 0 | 0 | 113 | L613 Q614 R621 | L613-E617 WeakPolarHBondContact O-CB 3.5Å; L613-E617 PolarHBondContact O-N 3.37Å; Q614-E617 PolarHBondContact O-N 3.24Å; E617-R621 VanDerWaalsContact O-CZ 3.23Å; E617-R621 PolarHBondContact O-NH1 3Å; E617-R621 PolarHBondContact O-NH2 3.48Å; E617-R621 IonicContact OE1-CZ 3.63Å; E617-R621 IonicContact OE1-NE 2.9Å; E617-R621 IonicContact OE1-NH2 2.65Å; E617-R621 PolarHBondContact OE1-NH2 2.77Å |
| 618 | T | 51.8 | Low | 52.9 | Low | 98 Ų | 98 | 137.2 Ų | 137.2 | 60% | 0.601 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -76 | -17.4 | 172 | 40.4 | 0 | 0 | 0 | 0 | 115 | Q614 S615 L616 | Q614-T618 PolarHBondContact O-N 3.35Å; Q614-T618 VanDerWaalsContact O-N 3.15Å; Q614-T618 PolarHBondContact O-OG1 3.03Å; S615-T618 PolarHBondContact O-OG1 2.92Å; L616-T618 PolarHBondContact O-N 3.11Å; L616-T618 VanDerWaalsContact O-N 3.15Å |
| 619 | I | 53 | Low | 50.4 | Low | 135 Ų | 135 | 139.4 Ų | 139.4 | 69% | 0.692 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -100.3 | -34.3 | 179.1 | -61.6 | 174.7 | 0 | 0 | 0 | 110.7 | L616 R621 | L616-I619 PolarHBondContact O-N 2.86Å; I619-R621 VanDerWaalsContact C-N 3.33Å; I619-R621 PolarHBondContact O-N 2.58Å |
| 620 | E | 44.4 | Very low | 48.1 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 71% | 0.71 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -73.6 | -21.7 | -175.6 | -167.2 | 166.2 | -152.1 | 0 | 0 | 113.8 | L616 E622 Y623 | L616-E620 PolarHBondContact O-N 3.45Å; L616-E620 VanDerWaalsContact O-N 3.12Å; E620-E622 PolarHBondContact O-N 3.49Å; E620-Y623 PolarHBondContact O-N 3.24Å |
| 621 | R | 46.4 | Very low | 46 | Very low | 166 Ų | 166 | 142 Ų | 142 | 63% | 0.626 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 9.9 | -170.8 | -132.7 | -179.7 | -73.1 | 103.8 | -10.6 | 115.8 | E617 I619 | E617-R621 VanDerWaalsContact O-CZ 3.23Å; E617-R621 PolarHBondContact O-NH1 3Å; E617-R621 PolarHBondContact O-NH2 3.48Å; E617-R621 IonicContact OE1-CZ 3.63Å; E617-R621 IonicContact OE1-NE 2.9Å; E617-R621 IonicContact OE1-NH2 2.65Å; E617-R621 PolarHBondContact OE1-NH2 2.77Å; I619-R621 VanDerWaalsContact C-N 3.33Å; I619-R621 PolarHBondContact O-N 2.58Å |
| 622 | E | 40.7 | Very low | 43.7 | Very low | 191 Ų | 191 | 141.5 Ų | 141.5 | 89% | 0.893 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120 | -0.4 | 179.3 | -158.7 | 162 | -137.4 | 0 | 0 | 114 | E620 | E620-E622 PolarHBondContact O-N 3.49Š|
| 623 | Y | 32.5 | Very low | 41.6 | Very low | 186 Ų | 186 | 139 Ų | 139 | 73% | 0.729 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -132 | 88.3 | -172.4 | -165.2 | -100.3 | 0 | 0 | 0 | 116 | E620 | E620-Y623 PolarHBondContact O-N 3.24Š|
| 624 | L | 32.9 | Very low | 39.7 | Very low | 135 Ų | 135 | 141.1 Ų | 141.1 | 71% | 0.707 | 69% | 0.685 | S | S | * | * | trans | 62.5 | 140.8 | 163 | -57.7 | 167.2 | 0 | 0 | 0 | 116.5 | ||||
| 625 | R | 25.8 | Very low | 37.9 | Very low | 225 Ų | 225 | 142.5 Ų | 142.5 | 85% | 0.849 | 70% | 0.7 | S | S | * | * | cis | 72.9 | 70 | 29.3 | -158.7 | -162.8 | -72.4 | -154.8 | 1.4 | 115.7 | ||||
| 626 | S | 26.1 | Very low | 37.1 | Very low | 135 Ų | 135 | 144.9 Ų | 144.9 | 94% | 0.944 | 72% | 0.715 | S | S | * | * | trans | -163.4 | -177.9 | 152.7 | -89.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 627 | K | 28.1 | Very low | 35.7 | Very low | 206 Ų | 206 | 147.6 Ų | 147.6 | 90% | 0.896 | 73% | 0.729 | S | S | * | * | trans | -120.3 | 158.3 | -156.1 | -93 | -175 | 172.8 | -180 | 0 | 116.3 | ||||
| 628 | A | 27.2 | Very low | 34.6 | Very low | 91 Ų | 91 | 147.1 Ų | 147.1 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | trans | 79.6 | 152.7 | 148.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 629 | K | 32.4 | Very low | 33.5 | Very low | 170 Ų | 170 | 150.4 Ų | 150.4 | 74% | 0.739 | 75% | 0.752 | S | S | * | * | cis | -166.2 | 167.3 | -0.1 | -132.9 | 161.9 | 157.5 | -103.7 | 0 | 112.4 | ||||
| 630 | E | 29 | Very low | 32.2 | Very low | 145 Ų | 145 | 155.6 Ų | 155.6 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | trans | 63.2 | 156.2 | 158.4 | -82.4 | 144.2 | 91.7 | 0 | 0 | 121.2 | ||||
| 631 | E | 34.4 | Very low | 31.5 | Very low | 147 Ų | 147 | 156.8 Ų | 156.8 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | cis | -170.1 | 172.8 | -35.5 | -154.9 | -165.4 | -137.6 | 0 | 0 | 112.5 | ||||
| 632 | Q | 30.5 | Very low | 30.7 | Very low | 142 Ų | 142 | 157.4 Ų | 157.4 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | trans | 95 | 110.6 | 157 | -49.3 | -152.1 | -2.6 | 0 | 0 | 119.4 | ||||
| 633 | L | 32.6 | Very low | 30.2 | Very low | 128 Ų | 128 | 156.9 Ų | 156.9 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | 83.3 | 135.3 | 69.9 | -75 | 166.9 | 0 | 0 | 0 | 113.6 | |||||
| 634 | K | 28.3 | Very low | 30.7 | Very low | 157 Ų | 157 | 156.9 Ų | 156.9 | 68% | 0.683 | 78% | 0.781 | S | S | * | * | cis | -139.2 | 177.4 | 15.4 | -67.5 | 94.5 | -175.8 | 169.1 | 0 | 109.5 | ||||
| 635 | T | 27 | Very low | 31 | Very low | 125 Ų | 125 | 156.2 Ų | 156.2 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | cis | 71.5 | 151.1 | 22.1 | 62.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 636 | P | 44.3 | Very low | 32.1 | Very low | 118 Ų | 118 | 153.2 Ų | 153.2 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | cis | -128.2 | 177 | -7.9 | 32.8 | -9.8 | 0 | 0 | 0 | 114.7 | ||||
| 637 | L | 29.1 | Very low | 33.6 | Very low | 168 Ų | 168 | 155 Ų | 155 | 88% | 0.88 | 77% | 0.769 | S | S | * | * | cis | 74.4 | 142.1 | 47.9 | -113.2 | 76.1 | 0 | 0 | 0 | 115.6 | ||||
| 638 | A | 29.6 | Very low | 34.8 | Very low | 70 Ų | 70 | 150.2 Ų | 150.2 | 58% | 0.579 | 76% | 0.757 | S | S | * | * | cis | -165.1 | 164.1 | 6.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 639 | N | 29 | Very low | 36.1 | Very low | 166 Ų | 166 | 153.7 Ų | 153.7 | 89% | 0.888 | 76% | 0.755 | S | S | * | * | trans | 64.4 | 139.7 | 144.9 | -65.5 | -11.5 | 0 | 0 | 0 | 126.7 | ||||
| 640 | R | 26.8 | Very low | 37.3 | Very low | 244 Ų | 244 | 151.3 Ų | 151.3 | 92% | 0.921 | 75% | 0.751 | S | S | * | * | -172.6 | 156.8 | 120.3 | -176.6 | 164.6 | -79.3 | -105.1 | 5.3 | 113.4 | |||||
| 641 | F | 28.8 | Very low | 38.7 | Very low | 178 Ų | 178 | 150.6 Ų | 150.6 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | trans | -113.5 | 159.7 | 178.5 | -95.9 | -101.1 | 0 | 0 | 0 | 113.5 | ||||
| 642 | Q | 29.1 | Very low | 40 | Very low | 179 Ų | 179 | 148.1 Ų | 148.1 | 84% | 0.836 | 75% | 0.746 | S | S | * | * | trans | 56.4 | 144.4 | 153.3 | -73.4 | 161.9 | -36.2 | 0 | 0 | 118.8 | ||||
| 643 | Q | 29.9 | Very low | 41.5 | Very low | 179 Ų | 179 | 148 Ų | 148 | 84% | 0.836 | 75% | 0.745 | S | S | * | * | -171.1 | 161.3 | 58.5 | 173.3 | 170.4 | -10.6 | 0 | 0 | 111.9 | |||||
| 644 | E | 43.1 | Very low | 43.3 | Very low | 187 Ų | 187 | 147.3 Ų | 147.3 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | trans | -94.8 | 128.8 | 169.2 | -55.8 | 174.9 | 125.3 | 0 | 0 | 112.1 | ||||
| 645 | D | 40.8 | Very low | 45 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 65% | 0.647 | 73% | 0.729 | S | S | * | * | trans | -167.7 | 101.1 | 149.7 | -173.9 | 9.5 | 0 | 0 | 0 | 110.8 | ||||
| 646 | N | 48.5 | Very low | 47.1 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 86% | 0.861 | 72% | 0.718 | S | S | * | * | trans | -159.7 | 48.7 | 177.1 | -97.1 | -41.1 | 0 | 0 | 0 | 112.1 | ||||
| 647 | K | 56.8 | Low | 48.1 | Very low | 173 Ų | 173 | 142.6 Ų | 142.6 | 75% | 0.752 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -141.4 | -0.3 | 177.9 | -147 | 163.8 | -174.6 | 172 | 0 | 116.3 | ||
| 648 | V | 53.3 | Low | 49.7 | Very low | 105 Ų | 105 | 139.7 Ų | 139.7 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -99 | -23.9 | -177 | -177.1 | 0 | 0 | 0 | 0 | 112.8 | T652 | V648-T652 PolarHBondContact O-OG1 3.32Š|
| 649 | K | 54.8 | Low | 51.2 | Low | 164 Ų | 164 | 145.4 Ų | 145.4 | 71% | 0.713 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -73.2 | -41.6 | -176.3 | -82.1 | -179.1 | 175 | 172.6 | 0 | 114.2 | T652 | K649-T652 PolarHBondContact O-N 2.82Š|
| 650 | D | 57.7 | Low | 53.1 | Low | 121 Ų | 121 | 144.4 Ų | 144.4 | 65% | 0.647 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -69.8 | -41.6 | -171.3 | -57.2 | -10.7 | 0 | 0 | 0 | 112.2 | T652 Q653 | D650-T652 PolarHBondContact O-N 2.91Å; D650-T652 VanDerWaalsContact O-N 3.15Å; D650-Q653 PolarHBondContact O-N 3.35Å; D650-Q653 VanDerWaalsContact O-N 3.08Å |
| 651 | L | 58.2 | Low | 55 | Low | 130 Ų | 130 | 140.1 Ų | 140.1 | 68% | 0.681 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -64.8 | -18.9 | 179.6 | -67.4 | 173.9 | 0 | 0 | 0 | 113.5 | ||
| 652 | T | 62.9 | Low | 56.5 | Low | 95 Ų | 95 | 138.1 Ų | 138.1 | 58% | 0.583 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -76.2 | -31.4 | 175.2 | -51 | 0 | 0 | 0 | 0 | 111.8 | V648 K649 D650 | V648-T652 PolarHBondContact O-OG1 3.32Å; K649-T652 PolarHBondContact O-N 2.82Å; D650-T652 PolarHBondContact O-N 2.91Å; D650-T652 VanDerWaalsContact O-N 3.15Å |
| 653 | Q | 62.2 | Low | 58 | Low | 138 Ų | 138 | 137.2 Ų | 137.2 | 65% | 0.645 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -81.8 | -35.9 | -173.7 | -59.5 | -175.8 | 19.5 | 0 | 0 | 112.3 | D650 V655 E656 H657 | D650-Q653 PolarHBondContact O-N 3.35Å; D650-Q653 VanDerWaalsContact O-N 3.08Å; Q653-V655 VanDerWaalsContact C-N 3.32Å; Q653-V655 PolarHBondContact O-N 2.79Å; Q653-E656 PolarHBondContact O-N 3.37Å; Q653-H657 PolarHBondContact O-N 3.39Å |
| 654 | E | 69.7 | Low | 59 | Low | 114 Ų | 114 | 134 Ų | 134 | 53% | 0.533 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -61 | -39 | 178.7 | -164.6 | 61.9 | -153.4 | 0 | 0 | 112.5 | E656 H657 L658 | E654-E656 VanDerWaalsContact C-N 3.31Å; E654-E656 PolarHBondContact O-N 2.96Å; E654-H657 WeakPolarHBondContact O-CB 3.36Å; E654-H657 PolarHBondContact O-N 2.75Å; E654-L658 PolarHBondContact O-N 3.48Å |
| 655 | V | 64.6 | Low | 59.4 | Low | 81 Ų | 81 | 131.2 Ų | 131.2 | 49% | 0.491 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -66.1 | -31.9 | -179.2 | 175.4 | 0 | 0 | 0 | 0 | 112.2 | Q653 R659 | Q653-V655 VanDerWaalsContact C-N 3.32Å; Q653-V655 PolarHBondContact O-N 2.79Å; V655-R659 PolarHBondContact O-N 2.97Å |
| 656 | E | 71.1 | Confident | 59.8 | Low | 115 Ų | 115 | 132.9 Ų | 132.9 | 54% | 0.537 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -77.1 | -30.4 | 174 | -67.3 | -153.7 | 152.5 | 0 | 0 | 113.4 | Q653 E654 R659 R660 | Q653-E656 PolarHBondContact O-N 3.37Å; E654-E656 VanDerWaalsContact C-N 3.31Å; E654-E656 PolarHBondContact O-N 2.96Å; E656-R659 PolarHBondContact O-N 3.42Å; E656-R660 PolarHBondContact O-N 3.35Å; E656-R660 PolarHBondContact O-NE 3.35Å; E656-R660 IonicContact OE2-NH2 2.72Å |
| 657 | H | 64.1 | Low | 60 | Low | 106 Ų | 106 | 130.2 Ų | 130.2 | 49% | 0.491 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64.2 | -44.1 | 176.8 | -168.2 | -17.7 | 0 | 0 | 0 | 111.1 | Q653 E654 R660 K661 | Q653-H657 PolarHBondContact O-N 3.39Å; E654-H657 WeakPolarHBondContact O-CB 3.36Å; E654-H657 PolarHBondContact O-N 2.75Å; H657-R660 PolarHBondContact O-N 2.94Å; H657-K661 PolarHBondContact O-N 3.39Å |
| 658 | L | 63.2 | Low | 59.9 | Low | 106 Ų | 106 | 127.3 Ų | 127.3 | 56% | 0.555 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67.8 | -35.6 | 178.8 | -67.3 | 172.7 | 0 | 0 | 0 | 112.5 | E654 R660 K661 L662 | E654-L658 PolarHBondContact O-N 3.48Å; L658-R660 VanDerWaalsContact C-N 3.33Å; L658-R660 PolarHBondContact O-N 3.27Å; L658-K661 PolarHBondContact O-N 2.88Å; L658-L662 PolarHBondContact O-N 2.85Å |
| 659 | R | 60.8 | Low | 59.8 | Low | 191 Ų | 191 | 128.9 Ų | 128.9 | 72% | 0.721 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.4 | -32.7 | 175.3 | -82.8 | -179.6 | 169.6 | 166.5 | -1.6 | 113.8 | V655 E656 | V655-R659 PolarHBondContact O-N 2.97Å; E656-R659 PolarHBondContact O-N 3.42Å |
| 660 | R | 69.3 | Low | 59.5 | Low | 145 Ų | 145 | 129 Ų | 129 | 55% | 0.547 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -70.8 | -48.2 | 173.7 | -85.1 | 171.5 | -94.8 | 145.1 | -9.6 | 111.7 | E656 H657 L658 L662 K663 | E656-R660 PolarHBondContact O-N 3.35Å; E656-R660 PolarHBondContact O-NE 3.35Å; E656-R660 IonicContact OE2-NH2 2.72Å; H657-R660 PolarHBondContact O-N 2.94Å; L658-R660 VanDerWaalsContact C-N 3.33Å; L658-R660 PolarHBondContact O-N 3.27Å; R660-L662 PolarHBondContact O-N 3.24Å; R660-L662 VanDerWaalsContact O-N 3.12Å; R660-K663 WeakPolarHBondContact O-CB 3.44Å; R660-K663 PolarHBondContact O-N 2.9Å |
| 661 | K | 67.1 | Low | 59 | Low | 154 Ų | 154 | 130.8 Ų | 130.8 | 67% | 0.67 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -59.5 | -27.9 | -177.4 | -165.6 | 172.5 | -176.4 | 177.3 | 0 | 114.4 | H657 L658 | H657-K661 PolarHBondContact O-N 3.39Å; L658-K661 PolarHBondContact O-N 2.88Å |
| 662 | L | 60.4 | Low | 58.6 | Low | 136 Ų | 136 | 128.7 Ų | 128.7 | 71% | 0.712 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -76.9 | -21.5 | 175.7 | -170.1 | 64.3 | 0 | 0 | 0 | 113.6 | L658 R660 | L658-L662 PolarHBondContact O-N 2.85Å; R660-L662 PolarHBondContact O-N 3.24Å; R660-L662 VanDerWaalsContact O-N 3.12Å |
| 663 | K | 60.3 | Low | 58.2 | Low | 159 Ų | 159 | 131.4 Ų | 131.4 | 69% | 0.691 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -80.3 | -41.6 | -175.7 | -166.1 | -179.7 | -179.9 | -173.1 | 0 | 112.1 | R660 K666 | R660-K663 WeakPolarHBondContact O-CB 3.44Å; R660-K663 PolarHBondContact O-N 2.9Å; K663-K666 PolarHBondContact O-N 3.36Å |
| 664 | D | 49.4 | Very low | 57.9 | Low | 113 Ų | 113 | 134.6 Ų | 134.6 | 60% | 0.604 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -71.1 | -36.4 | -173.4 | -54.5 | -30.8 | 0 | 0 | 0 | 112 | K666 V667 | D664-K666 PolarHBondContact O-N 3.1Å; D664-V667 PolarHBondContact O-N 3.39Å |
| 665 | M | 52.4 | Low | 57 | Low | 128 Ų | 128 | 132.8 Ų | 132.8 | 63% | 0.631 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -25.6 | 179.9 | -155.6 | -170 | 90.5 | 0 | 0 | 113.3 | T668 | M665-T668 PolarHBondContact O-OG1 3.08Š|
| 666 | K | 48.5 | Very low | 56.7 | Low | 156 Ų | 156 | 133.9 Ų | 133.9 | 68% | 0.678 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -16.2 | -177 | -163.2 | 172.8 | -178.5 | -176.7 | 0 | 113.6 | K663 D664 | K663-K666 PolarHBondContact O-N 3.36Å; D664-K666 PolarHBondContact O-N 3.1Å |
| 667 | V | 53 | Low | 56 | Low | 104 Ų | 104 | 134.9 Ų | 134.9 | 63% | 0.63 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -33.1 | 177.7 | -178.1 | 0 | 0 | 0 | 0 | 111 | D664 E669 | D664-V667 PolarHBondContact O-N 3.39Å; V667-E669 PolarHBondContact O-N 3.5Å |
| 668 | T | 54.7 | Low | 56 | Low | 113 Ų | 113 | 137.9 Ų | 137.9 | 69% | 0.693 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -8.8 | 176.9 | 32.4 | 0 | 0 | 0 | 0 | 115.5 | M665 | M665-T668 PolarHBondContact O-OG1 3.08Š|
| 669 | E | 52.4 | Low | 56.3 | Low | 138 Ų | 138 | 137.9 Ų | 137.9 | 65% | 0.645 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -16.9 | -175.2 | -161.2 | 166.3 | -140.1 | 0 | 0 | 113.1 | V667 | V667-E669 PolarHBondContact O-N 3.5Š|
| 670 | E | 47.3 | Very low | 56.9 | Low | 165 Ų | 165 | 131.7 Ų | 131.7 | 77% | 0.771 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -21.8 | -170.5 | -158.7 | 160.3 | -155.4 | 0 | 0 | 113.8 | ||
| 671 | D | 47.7 | Very low | 57.2 | Low | 159 Ų | 159 | 130 Ų | 130 | 85% | 0.85 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -90 | -2.3 | -177.5 | -111 | -19.8 | 0 | 0 | 0 | 114.5 | L673 | D671-L673 VanDerWaalsContact C-N 3.34Å; D671-L673 PolarHBondContact O-N 2.87Å |
| 672 | S | 50 | Low | 57.5 | Low | 87 Ų | 87 | 127.9 Ų | 127.9 | 61% | 0.608 | 65% | 0.648 | S | S | * | * | trans | -86.9 | 12.1 | -169.8 | 69.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 673 | L | 54.5 | Low | 58.5 | Low | 151 Ų | 151 | 126.9 Ų | 126.9 | 79% | 0.791 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -99.3 | 9.9 | -163.4 | -85.2 | 167.1 | 0 | 0 | 0 | 116.7 | D671 | D671-L673 VanDerWaalsContact C-N 3.34Å; D671-L673 PolarHBondContact O-N 2.87Å |
| 674 | K | 55.1 | Low | 59.5 | Low | 205 Ų | 205 | 126.7 Ų | 126.7 | 89% | 0.891 | 63% | 0.632 | S | S | * | * | trans | -143.5 | 97 | 173.6 | -68.5 | -175.6 | -177.6 | 172 | 0 | 113 | ||||
| 675 | T | 51.2 | Low | 61 | Low | 76 Ų | 76 | 127.8 Ų | 127.8 | 47% | 0.466 | 63% | 0.632 | S | S | . | * | trans | -128.7 | 151.8 | 170.4 | 61 | 0 | 0 | 0 | 0 | 111.3 | E677 | T675-E677 PolarHBondContact O-N 3.5Å; T675-E677 VanDerWaalsContact O-N 3.1Å | ||
| 676 | P | 57.6 | Low | 62.5 | Low | 105 Ų | 105 | 124.9 Ų | 124.9 | 68% | 0.682 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -8 | 178.6 | 28.3 | -36.4 | 0 | 0 | 0 | 113.6 | Y678 E679 T680 | P676-Y678 VanDerWaalsContact C-N 3.28Å; P676-Y678 PolarHBondContact O-N 2.92Å; P676-E679 PolarHBondContact O-N 3.45Å; P676-T680 PolarHBondContact O-N 3.37Å |
| 677 | E | 56.5 | Low | 64.2 | Low | 136 Ų | 136 | 122 Ų | 122 | 64% | 0.636 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.4 | -35.1 | -179.8 | -60.2 | -176.7 | 130.8 | 0 | 0 | 112 | T675 E679 T680 L681 | T675-E677 PolarHBondContact O-N 3.5Å; T675-E677 VanDerWaalsContact O-N 3.1Å; E677-E679 PolarHBondContact O-N 3.34Å; E677-T680 CarbonylContact O-C 3.59Å; E677-T680 PolarHBondContact O-N 2.99Å; E677-T680 VanDerWaalsContact O-N 3.15Å; E677-T680 PolarHBondContact O-OG1 2.8Å; E677-L681 WeakPolarHBondContact O-CB 3.43Å; E677-L681 PolarHBondContact O-N 2.75Å |
| 678 | Y | 63.8 | Low | 65.7 | Low | 168 Ų | 168 | 122.4 Ų | 122.4 | 66% | 0.659 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -58.6 | -45.5 | 178.7 | -168.4 | -84.7 | 0 | 0 | 0 | 112.1 | P676 T680 L681 E682 | P676-Y678 VanDerWaalsContact C-N 3.28Å; P676-Y678 PolarHBondContact O-N 2.92Å; Y678-T680 VanDerWaalsContact C-N 3.32Å; Y678-T680 PolarHBondContact O-N 3.28Å; Y678-L681 WeakPolarHBondContact O-CB 3.28Å; Y678-L681 PolarHBondContact O-N 3.44Å; Y678-L681 VanDerWaalsContact O-N 3.08Å; Y678-E682 PolarHBondContact O-N 2.79Å |
| 679 | E | 69.8 | Low | 66.9 | Low | 107 Ų | 107 | 121.2 Ų | 121.2 | 50% | 0.5 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.8 | -33.8 | 178.4 | -163.2 | -170.7 | 152.5 | 0 | 0 | 111.7 | P676 E677 L681 K683 | P676-E679 PolarHBondContact O-N 3.45Å; E677-E679 PolarHBondContact O-N 3.34Å; E679-L681 VanDerWaalsContact C-N 3.31Å; E679-K683 WeakPolarHBondContact O-CB 3.46Å; E679-K683 WeakPolarHBondContact O-CG 3.4Å; E679-K683 PolarHBondContact O-N 3.21Å; E679-K683 VanDerWaalsContact OE1-CE 3.29Å; E679-K683 WeakPolarHBondContact OE1-CE 3.35Å; E679-K683 IonicContact OE1-NZ 2.62Å; E679-K683 PolarHBondContact OE1-NZ 2.94Å |
| 680 | T | 73.6 | Confident | 68.5 | Low | 61 Ų | 61 | 120 Ų | 120 | 37% | 0.374 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -73.4 | -23.2 | 172.8 | 75.1 | 0 | 0 | 0 | 0 | 113.2 | P676 E677 Y678 R684 | P676-T680 PolarHBondContact O-N 3.37Å; E677-T680 CarbonylContact O-C 3.59Å; E677-T680 PolarHBondContact O-N 2.99Å; E677-T680 VanDerWaalsContact O-N 3.15Å; E677-T680 PolarHBondContact O-OG1 2.8Å; Y678-T680 VanDerWaalsContact C-N 3.32Å; Y678-T680 PolarHBondContact O-N 3.28Å; T680-R684 WeakPolarHBondContact O-CB 3.19Å; T680-R684 WeakPolarHBondContact O-CG 3.29Å; T680-R684 PolarHBondContact O-N 2.91Å; T680-R684 PolarHBondContact O-NE 3.47Å; T680-R684 PolarHBondContact OG1-NH2 3.1Å |
| 681 | L | 75.1 | Confident | 70.5 | Confident | 110 Ų | 110 | 119.8 Ų | 119.8 | 58% | 0.576 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -80.5 | -40.8 | 175.9 | -172.6 | 62.9 | 0 | 0 | 0 | 110.3 | E677 Y678 E679 R684 F685 | E677-L681 WeakPolarHBondContact O-CB 3.43Å; E677-L681 PolarHBondContact O-N 2.75Å; Y678-L681 WeakPolarHBondContact O-CB 3.28Å; Y678-L681 PolarHBondContact O-N 3.44Å; Y678-L681 VanDerWaalsContact O-N 3.08Å; E679-L681 VanDerWaalsContact C-N 3.31Å; L681-R684 CarbonylContact O-C 3.55Å; L681-R684 PolarHBondContact O-N 2.88Å; L681-F685 WeakPolarHBondContact O-CB 3.25Å; L681-F685 PolarHBondContact O-N 2.84Å |
| 682 | E | 75.2 | Confident | 72.1 | Confident | 109 Ų | 109 | 114.6 Ų | 114.6 | 51% | 0.509 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.5 | -46.8 | 173.5 | -173.8 | 165.1 | -139 | 0 | 0 | 111.6 | Y678 R684 F685 V686 | Y678-E682 PolarHBondContact O-N 2.79Å; E682-R684 VanDerWaalsContact C-N 3.3Å; E682-R684 PolarHBondContact O-N 2.65Å; E682-F685 WeakPolarHBondContact O-CB 3.44Å; E682-F685 PolarHBondContact O-N 3.4Å; E682-F685 VanDerWaalsContact O-N 3.12Å; E682-V686 WeakPolarHBondContact O-CG2 3.49Å; E682-V686 PolarHBondContact O-N 2.84Å |
| 683 | K | 80.4 | Confident | 73.9 | Confident | 115 Ų | 115 | 115.7 Ų | 115.7 | 50% | 0.5 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.7 | -34.5 | 173.3 | -71.6 | 172.9 | -172.9 | 170.7 | 0 | 112.7 | E679 N687 | E679-K683 WeakPolarHBondContact O-CB 3.46Å; E679-K683 WeakPolarHBondContact O-CG 3.4Å; E679-K683 PolarHBondContact O-N 3.21Å; E679-K683 VanDerWaalsContact OE1-CE 3.29Å; E679-K683 WeakPolarHBondContact OE1-CE 3.35Å; E679-K683 IonicContact OE1-NZ 2.62Å; E679-K683 PolarHBondContact OE1-NZ 2.94Å; K683-N687 WeakPolarHBondContact O-CB 3.35Å; K683-N687 PolarHBondContact O-N 2.84Å; K683-N687 VanDerWaalsContact O-N 3.11Å; K683-N687 PolarHBondContact O-ND2 3.39Å; K683-N687 PolarHBondContact O-OD1 3.33Å |
| 684 | R | 80.8 | Confident | 75.5 | Confident | 154 Ų | 154 | 111.1 Ų | 111.1 | 58% | 0.581 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.6 | -39.2 | 171.8 | -84.1 | 179 | -82.9 | -165.1 | -2.3 | 112.2 | T680 L681 E682 N687 E688 | T680-R684 WeakPolarHBondContact O-CB 3.19Å; T680-R684 WeakPolarHBondContact O-CG 3.29Å; T680-R684 PolarHBondContact O-N 2.91Å; T680-R684 PolarHBondContact O-NE 3.47Å; T680-R684 PolarHBondContact OG1-NH2 3.1Å; L681-R684 CarbonylContact O-C 3.55Å; L681-R684 PolarHBondContact O-N 2.88Å; E682-R684 VanDerWaalsContact C-N 3.3Å; E682-R684 PolarHBondContact O-N 2.65Å; R684-N687 PolarHBondContact O-N 3.27Å; R684-E688 VanDerWaalsContact O-CB 3.29Å; R684-E688 WeakPolarHBondContact O-CB 3.46Å; R684-E688 PolarHBondContact O-N 2.79Å |
| 685 | F | 81.3 | Confident | 77.1 | Confident | 136 Ų | 136 | 106.1 Ų | 106.1 | 60% | 0.596 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.3 | -40.7 | 176.8 | -179.9 | -102.4 | 0 | 0 | 0 | 112.5 | L681 E682 E688 Q689 | L681-F685 WeakPolarHBondContact O-CB 3.25Å; L681-F685 PolarHBondContact O-N 2.84Å; E682-F685 WeakPolarHBondContact O-CB 3.44Å; E682-F685 PolarHBondContact O-N 3.4Å; E682-F685 VanDerWaalsContact O-N 3.12Å; F685-E688 PolarHBondContact O-N 3.14Å; F685-Q689 WeakPolarHBondContact O-CB 3.2Å; F685-Q689 PolarHBondContact O-N 3.05Å |
| 686 | V | 83.8 | Confident | 78.8 | Confident | 68 Ų | 68 | 108.7 Ų | 108.7 | 41% | 0.412 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.2 | -51.2 | 173.2 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | E682 E688 Q689 E690 | E682-V686 WeakPolarHBondContact O-CG2 3.49Å; E682-V686 PolarHBondContact O-N 2.84Å; V686-E688 VanDerWaalsContact C-N 3.27Å; V686-E688 PolarHBondContact O-N 3.36Å; V686-Q689 WeakPolarHBondContact O-CB 3.31Å; V686-Q689 PolarHBondContact O-N 3.28Å; V686-Q689 VanDerWaalsContact O-N 3.11Å; V686-E690 PolarHBondContact O-N 3.36Å |
| 687 | N | 84.8 | Confident | 80.2 | Confident | 95 Ų | 95 | 110.5 Ų | 110.5 | 51% | 0.508 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.8 | -36.2 | 178.4 | -69 | -2.9 | 0 | 0 | 0 | 112.6 | K683 R684 E690 R691 | K683-N687 WeakPolarHBondContact O-CB 3.35Å; K683-N687 PolarHBondContact O-N 2.84Å; K683-N687 VanDerWaalsContact O-N 3.11Å; K683-N687 PolarHBondContact O-ND2 3.39Å; K683-N687 PolarHBondContact O-OD1 3.33Å; R684-N687 PolarHBondContact O-N 3.27Å; N687-E690 PolarHBondContact O-N 2.88Å; N687-R691 PolarHBondContact O-N 3.31Å |
| 688 | E | 83.6 | Confident | 81.7 | Confident | 112 Ų | 112 | 110 Ų | 110 | 52% | 0.523 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -74.4 | -34.2 | 177.3 | -163 | 59.5 | -155.9 | 0 | 0 | 111.8 | R684 F685 V686 E690 R691 A692 | R684-E688 VanDerWaalsContact O-CB 3.29Å; R684-E688 WeakPolarHBondContact O-CB 3.46Å; R684-E688 PolarHBondContact O-N 2.79Å; F685-E688 PolarHBondContact O-N 3.14Å; V686-E688 VanDerWaalsContact C-N 3.27Å; V686-E688 PolarHBondContact O-N 3.36Å; E688-E690 VanDerWaalsContact C-N 3.34Å; E688-R691 WeakPolarHBondContact O-CB 3.48Å; E688-R691 PolarHBondContact O-N 3.45Å; E688-A692 WeakPolarHBondContact O-CB 3.42Å; E688-A692 PolarHBondContact O-N 2.85Å |
| 689 | Q | 80.1 | Confident | 82.8 | Confident | 89 Ų | 89 | 106 Ų | 106 | 42% | 0.416 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.8 | -35.4 | 171.4 | -165.5 | -169.6 | 104.9 | 0 | 0 | 111.9 | F685 V686 A692 K693 | F685-Q689 WeakPolarHBondContact O-CB 3.2Å; F685-Q689 PolarHBondContact O-N 3.05Å; V686-Q689 WeakPolarHBondContact O-CB 3.31Å; V686-Q689 PolarHBondContact O-N 3.28Å; V686-Q689 VanDerWaalsContact O-N 3.11Å; Q689-A692 PolarHBondContact O-N 3.12Å; Q689-K693 VanDerWaalsContact O-CG 3.32Å; Q689-K693 WeakPolarHBondContact O-CG 3.33Å; Q689-K693 PolarHBondContact O-N 3.2Å |
| 690 | E | 85.7 | Confident | 83.7 | Confident | 112 Ų | 112 | 105.5 Ų | 105.5 | 52% | 0.523 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.2 | -41.5 | 172.7 | -71.3 | -178.6 | 173.3 | 0 | 0 | 111.8 | V686 N687 E688 A692 K693 A694 | V686-E690 PolarHBondContact O-N 3.36Å; N687-E690 PolarHBondContact O-N 2.88Å; E688-E690 VanDerWaalsContact C-N 3.34Å; E690-A692 VanDerWaalsContact C-N 3.34Å; E690-A692 PolarHBondContact O-N 3.1Å; E690-K693 PolarHBondContact O-N 3.05Å; E690-A694 PolarHBondContact O-N 2.81Å |
| 691 | R | 89.3 | Confident | 84.4 | Confident | 161 Ų | 161 | 106 Ų | 106 | 61% | 0.608 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -55.8 | -46.7 | 168.2 | -104.5 | -167.7 | 174.4 | 96.9 | 7.3 | 112.3 | N687 E688 K693 A694 L695 | N687-R691 PolarHBondContact O-N 3.31Å; E688-R691 WeakPolarHBondContact O-CB 3.48Å; E688-R691 PolarHBondContact O-N 3.45Å; R691-K693 VanDerWaalsContact C-N 3.29Å; R691-K693 PolarHBondContact O-N 3.27Å; R691-A694 PolarHBondContact O-N 3.46Å; R691-L695 WeakPolarHBondContact O-CB 3.32Å; R691-L695 WeakPolarHBondContact O-CG 3.47Å; R691-L695 PolarHBondContact O-N 3.46Å |
| 692 | A | 81.4 | Confident | 84.7 | Confident | 50 Ų | 50 | 103.8 Ų | 103.8 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.7 | -33.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E688 Q689 E690 M696 | E688-A692 WeakPolarHBondContact O-CB 3.42Å; E688-A692 PolarHBondContact O-N 2.85Å; Q689-A692 PolarHBondContact O-N 3.12Å; E690-A692 VanDerWaalsContact C-N 3.34Å; E690-A692 PolarHBondContact O-N 3.1Å; A692-M696 VanDerWaalsContact O-CB 3.3Å; A692-M696 WeakPolarHBondContact O-CB 3.45Å; A692-M696 PolarHBondContact O-N 2.97Å; A692-M696 VanDerWaalsContact O-N 3.11Å |
| 693 | K | 87.4 | Confident | 85.4 | Confident | 110 Ų | 110 | 106.1 Ų | 106.1 | 48% | 0.478 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.6 | -47.5 | 171.9 | -70.9 | 164.1 | -170.3 | 161.4 | 0 | 111.6 | Q689 E690 R691 L695 M696 E697 | Q689-K693 VanDerWaalsContact O-CG 3.32Å; Q689-K693 WeakPolarHBondContact O-CG 3.33Å; Q689-K693 PolarHBondContact O-N 3.2Å; E690-K693 PolarHBondContact O-N 3.05Å; R691-K693 VanDerWaalsContact C-N 3.29Å; R691-K693 PolarHBondContact O-N 3.27Å; K693-L695 PolarHBondContact O-N 2.85Å; K693-M696 WeakPolarHBondContact O-CB 3.38Å; K693-M696 PolarHBondContact O-N 2.94Å; K693-M696 VanDerWaalsContact O-N 3.1Å; K693-E697 PolarHBondContact O-N 2.84Å |
| 694 | A | 88.9 | Confident | 85.5 | Confident | 55 Ų | 55 | 106 Ų | 106 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E690 R691 M696 E697 E698 | E690-A694 PolarHBondContact O-N 2.81Å; R691-A694 PolarHBondContact O-N 3.46Å; A694-M696 VanDerWaalsContact C-N 3.28Å; A694-M696 PolarHBondContact O-N 3.22Å; A694-E697 PolarHBondContact O-N 3.34Å; A694-E698 WeakPolarHBondContact O-CB 3.49Å; A694-E698 PolarHBondContact O-N 3.08Å |
| 695 | L | 89.9 | Confident | 85.7 | Confident | 99 Ų | 99 | 103.6 Ų | 103.6 | 52% | 0.518 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.9 | -30.4 | 175 | -70.2 | 169.4 | 0 | 0 | 0 | 112.6 | R691 K693 L699 | R691-L695 WeakPolarHBondContact O-CB 3.32Å; R691-L695 WeakPolarHBondContact O-CG 3.47Å; R691-L695 PolarHBondContact O-N 3.46Å; K693-L695 PolarHBondContact O-N 2.85Å; L695-L699 WeakPolarHBondContact O-CB 3.35Å; L695-L699 PolarHBondContact O-N 3.29Å |
| 696 | M | 85.1 | Confident | 85.5 | Confident | 131 Ų | 131 | 101.9 Ų | 101.9 | 65% | 0.645 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -71.2 | -39.4 | 174.5 | -169.7 | -177.8 | -53.3 | 0 | 0 | 111.7 | A692 K693 A694 L699 E700 | A692-M696 VanDerWaalsContact O-CB 3.3Å; A692-M696 WeakPolarHBondContact O-CB 3.45Å; A692-M696 PolarHBondContact O-N 2.97Å; A692-M696 VanDerWaalsContact O-N 3.11Å; K693-M696 WeakPolarHBondContact O-CB 3.38Å; K693-M696 PolarHBondContact O-N 2.94Å; K693-M696 VanDerWaalsContact O-N 3.1Å; A694-M696 VanDerWaalsContact C-N 3.28Å; A694-M696 PolarHBondContact O-N 3.22Å; M696-L699 PolarHBondContact O-N 2.99Å; M696-E700 PolarHBondContact O-N 3.48Å |
| 697 | E | 88.1 | Confident | 85.4 | Confident | 143 Ų | 143 | 102.5 Ų | 102.5 | 67% | 0.668 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.4 | -44.3 | 175.2 | -173 | 164.9 | -157.7 | 0 | 0 | 111.6 | K693 A694 L699 E700 V701 | K693-E697 PolarHBondContact O-N 2.84Å; A694-E697 PolarHBondContact O-N 3.34Å; E697-L699 VanDerWaalsContact C-N 3.32Å; E697-L699 PolarHBondContact O-N 2.57Å; E697-E700 CarbonylContact O-C 3.53Å; E697-E700 PolarHBondContact O-N 3.12Å; E697-E700 VanDerWaalsContact O-N 3.07Å; E697-V701 WeakPolarHBondContact O-CG2 3.48Å; E697-V701 PolarHBondContact O-N 3.38Å |
| 698 | E | 87.8 | Confident | 85.1 | Confident | 124 Ų | 124 | 103.8 Ų | 103.8 | 58% | 0.579 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60 | -39.9 | 173 | -175.5 | 175.6 | -155.9 | 0 | 0 | 112 | A694 E700 V701 S702 | A694-E698 WeakPolarHBondContact O-CB 3.49Å; A694-E698 PolarHBondContact O-N 3.08Å; E698-E700 VanDerWaalsContact C-N 3.34Å; E698-V701 PolarHBondContact O-N 3.27Å; E698-S702 WeakPolarHBondContact O-CB 3.44Å; E698-S702 PolarHBondContact O-N 3.47Å; E698-S702 PolarHBondContact O-OG 2.93Å |
| 699 | L | 87.8 | Confident | 84.8 | Confident | 86 Ų | 86 | 106.2 Ų | 106.2 | 45% | 0.45 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.4 | -33.8 | 173.8 | -173.4 | 152.7 | 0 | 0 | 0 | 111.8 | L695 M696 E697 R703 | L695-L699 WeakPolarHBondContact O-CB 3.35Å; L695-L699 PolarHBondContact O-N 3.29Å; M696-L699 PolarHBondContact O-N 2.99Å; E697-L699 VanDerWaalsContact C-N 3.32Å; E697-L699 PolarHBondContact O-N 2.57Å; L699-R703 HydrophobicContact CD2-CG 4.32Å; L699-R703 VanDerWaalsContact CD2-CZ 3.42Å; L699-R703 WeakPolarHBondContact O-CB 3.35Å; L699-R703 WeakPolarHBondContact O-CG 3.46Å; L699-R703 PolarHBondContact O-N 3.13Å |
| 700 | E | 88.6 | Confident | 84.7 | Confident | 96 Ų | 96 | 105.7 Ų | 105.7 | 45% | 0.449 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -75.5 | -34.6 | 175.1 | -158.7 | 178.3 | 117.1 | 0 | 0 | 112.9 | M696 E697 E698 R703 K704 | M696-E700 PolarHBondContact O-N 3.48Å; E697-E700 CarbonylContact O-C 3.53Å; E697-E700 PolarHBondContact O-N 3.12Å; E697-E700 VanDerWaalsContact O-N 3.07Å; E698-E700 VanDerWaalsContact C-N 3.34Å; E700-R703 PolarHBondContact O-N 3.01Å; E700-K704 WeakPolarHBondContact O-CD 3.26Å; E700-K704 VanDerWaalsContact O-CG 3.29Å; E700-K704 WeakPolarHBondContact O-CG 3.29Å; E700-K704 PolarHBondContact O-N 2.88Å; E700-K704 WeakPolarHBondContact OE1-CE 3.26Å; E700-K704 IonicContact OE1-NZ 3.65Å; E700-K704 PolarHBondContact OE1-NZ 3.18Å |
| 701 | V | 87.9 | Confident | 84 | Confident | 70 Ų | 70 | 104.5 Ų | 104.5 | 42% | 0.424 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.7 | -50.1 | 167.3 | 172.6 | 0 | 0 | 0 | 0 | 109.8 | E697 E698 R703 K704 E705 | E697-V701 WeakPolarHBondContact O-CG2 3.48Å; E697-V701 PolarHBondContact O-N 3.38Å; E698-V701 PolarHBondContact O-N 3.27Å; V701-R703 VanDerWaalsContact C-N 3.27Å; V701-R703 PolarHBondContact O-N 2.97Å; V701-K704 WeakPolarHBondContact O-CA 3.4Å; V701-K704 WeakPolarHBondContact O-CB 3.39Å; V701-K704 PolarHBondContact O-N 3.05Å; V701-E705 PolarHBondContact O-N 3.44Å |
| 702 | S | 81.4 | Confident | 83.2 | Confident | 64 Ų | 64 | 100.3 Ų | 100.3 | 45% | 0.448 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -56.7 | -38.2 | 176.1 | -59.3 | 0 | 0 | 0 | 0 | 112.4 | E698 L706 | E698-S702 WeakPolarHBondContact O-CB 3.44Å; E698-S702 PolarHBondContact O-N 3.47Å; E698-S702 PolarHBondContact O-OG 2.93Å; S702-L706 VanDerWaalsContact O-CB 3.31Å; S702-L706 WeakPolarHBondContact O-CB 3.4Å; S702-L706 PolarHBondContact O-N 3.2Å |
| 703 | R | 88.4 | Confident | 82.4 | Confident | 158 Ų | 158 | 103.7 Ų | 103.7 | 60% | 0.596 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.3 | -43 | 172.7 | -79.8 | 174.7 | 174.5 | 167.7 | 1.6 | 112.5 | L699 E700 V701 L706 T707 | L699-R703 HydrophobicContact CD2-CG 4.32Å; L699-R703 VanDerWaalsContact CD2-CZ 3.42Å; L699-R703 WeakPolarHBondContact O-CB 3.35Å; L699-R703 WeakPolarHBondContact O-CG 3.46Å; L699-R703 PolarHBondContact O-N 3.13Å; E700-R703 PolarHBondContact O-N 3.01Å; V701-R703 VanDerWaalsContact C-N 3.27Å; V701-R703 PolarHBondContact O-N 2.97Å; R703-L706 PolarHBondContact O-N 2.9Å; R703-T707 WeakPolarHBondContact O-CG2 3.3Å; R703-T707 PolarHBondContact O-N 3.19Å; R703-T707 PolarHBondContact O-OG1 3.13Å |
| 704 | K | 83.4 | Confident | 81.7 | Confident | 112 Ų | 112 | 104.4 Ų | 104.4 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 177.5 | -72.8 | 159.4 | -174.7 | 158.9 | 0 | 110.3 | E700 V701 T707 M708 | E700-K704 WeakPolarHBondContact O-CD 3.26Å; E700-K704 VanDerWaalsContact O-CG 3.29Å; E700-K704 WeakPolarHBondContact O-CG 3.29Å; E700-K704 PolarHBondContact O-N 2.88Å; E700-K704 WeakPolarHBondContact OE1-CE 3.26Å; E700-K704 IonicContact OE1-NZ 3.65Å; E700-K704 PolarHBondContact OE1-NZ 3.18Å; V701-K704 WeakPolarHBondContact O-CA 3.4Å; V701-K704 WeakPolarHBondContact O-CB 3.39Å; V701-K704 PolarHBondContact O-N 3.05Å; K704-T707 PolarHBondContact O-N 3.15Å; K704-T707 PolarHBondContact O-OG1 3.24Å; K704-M708 WeakPolarHBondContact O-CG 3.47Å; K704-M708 PolarHBondContact O-N 3.45Å |
| 705 | E | 85.4 | Confident | 80.7 | Confident | 105 Ų | 105 | 107.4 Ų | 107.4 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60 | -47.2 | 172.4 | -69 | -172.4 | 177.2 | 0 | 0 | 112 | V701 T707 M708 Y709 | V701-E705 PolarHBondContact O-N 3.44Å; E705-T707 VanDerWaalsContact C-N 3.28Å; E705-T707 PolarHBondContact O-N 3.15Å; E705-M708 CarbonylContact O-C 3.56Å; E705-M708 WeakPolarHBondContact O-CA 3.46Å; E705-M708 WeakPolarHBondContact O-CB 3.21Å; E705-M708 PolarHBondContact O-N 2.84Å; E705-Y709 HydrophobicContact CB-CD2 4.45Å; E705-Y709 HydrophobicContact CB-CE2 4.3Å; E705-Y709 WeakPolarHBondContact O-CD2 3.43Å; E705-Y709 PolarHBondContact O-N 3.12Å |
| 706 | L | 77.5 | Confident | 79.5 | Confident | 99 Ų | 99 | 107.7 Ų | 107.7 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.2 | -39.7 | 175.7 | -166.7 | 77.8 | 0 | 0 | 0 | 112.1 | S702 R703 M708 Y709 Q710 | S702-L706 VanDerWaalsContact O-CB 3.31Å; S702-L706 WeakPolarHBondContact O-CB 3.4Å; S702-L706 PolarHBondContact O-N 3.2Å; R703-L706 PolarHBondContact O-N 2.9Å; L706-M708 VanDerWaalsContact C-N 3.34Å; L706-Y709 PolarHBondContact O-N 3.03Å; L706-Q710 WeakPolarHBondContact O-CB 3.47Å; L706-Q710 VanDerWaalsContact O-CG 3.31Å; L706-Q710 WeakPolarHBondContact O-CG 3.49Å; L706-Q710 PolarHBondContact O-N 2.89Å |
| 707 | T | 80.3 | Confident | 78.2 | Confident | 82 Ų | 82 | 104.1 Ų | 104.1 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.6 | -29.7 | 174.6 | 58.3 | 0 | 0 | 0 | 0 | 113.4 | R703 K704 E705 L711 | R703-T707 WeakPolarHBondContact O-CG2 3.3Å; R703-T707 PolarHBondContact O-N 3.19Å; R703-T707 PolarHBondContact O-OG1 3.13Å; K704-T707 PolarHBondContact O-N 3.15Å; K704-T707 PolarHBondContact O-OG1 3.24Å; E705-T707 VanDerWaalsContact C-N 3.28Å; E705-T707 PolarHBondContact O-N 3.15Å; T707-L711 VanDerWaalsContact O-CB 3.31Å; T707-L711 WeakPolarHBondContact O-CB 3.44Å; T707-L711 PolarHBondContact O-N 3.46Å |
| 708 | M | 80.1 | Confident | 77.3 | Confident | 121 Ų | 121 | 102.7 Ų | 102.7 | 60% | 0.596 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -71.1 | -42.7 | 172.1 | -74.2 | -65.5 | -66.6 | 0 | 0 | 111.6 | K704 E705 L706 L711 N712 | K704-M708 WeakPolarHBondContact O-CG 3.47Å; K704-M708 PolarHBondContact O-N 3.45Å; E705-M708 CarbonylContact O-C 3.56Å; E705-M708 WeakPolarHBondContact O-CA 3.46Å; E705-M708 WeakPolarHBondContact O-CB 3.21Å; E705-M708 PolarHBondContact O-N 2.84Å; L706-M708 VanDerWaalsContact C-N 3.34Å; M708-L711 CarbonylContact O-C 3.59Å; M708-L711 PolarHBondContact O-N 3.49Å; M708-N712 PolarHBondContact O-N 3.14Å |
| 709 | Y | 76.4 | Confident | 76.7 | Confident | 163 Ų | 163 | 103.1 Ų | 103.1 | 64% | 0.639 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.6 | -48.5 | 172.2 | -75.1 | -66.3 | 0 | 0 | 0 | 111.4 | E705 L706 L711 N712 E713 | E705-Y709 HydrophobicContact CB-CD2 4.45Å; E705-Y709 HydrophobicContact CB-CE2 4.3Å; E705-Y709 WeakPolarHBondContact O-CD2 3.43Å; E705-Y709 PolarHBondContact O-N 3.12Å; L706-Y709 PolarHBondContact O-N 3.03Å; Y709-L711 PolarHBondContact O-N 3.48Å; Y709-N712 PolarHBondContact O-N 3Å; Y709-E713 VanDerWaalsContact O-CB 3.28Å; Y709-E713 WeakPolarHBondContact O-CB 3.41Å; Y709-E713 PolarHBondContact O-N 3.16Å |
| 710 | Q | 77.4 | Confident | 76 | Confident | 78 Ų | 78 | 105 Ų | 105 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.9 | -27.4 | 174.8 | -72.7 | 177.1 | 18.7 | 0 | 0 | 113.5 | L706 K714 | L706-Q710 WeakPolarHBondContact O-CB 3.47Å; L706-Q710 VanDerWaalsContact O-CG 3.31Å; L706-Q710 WeakPolarHBondContact O-CG 3.49Å; L706-Q710 PolarHBondContact O-N 2.89Å; Q710-K714 WeakPolarHBondContact O-CB 3.22Å; Q710-K714 VanDerWaalsContact O-CD 3.22Å; Q710-K714 WeakPolarHBondContact O-CD 3.3Å; Q710-K714 WeakPolarHBondContact O-CG 3.5Å; Q710-K714 PolarHBondContact O-N 2.98Å |
| 711 | L | 72.6 | Confident | 75.5 | Confident | 88 Ų | 88 | 106.5 Ų | 106.5 | 46% | 0.461 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -80.8 | -26.6 | 174.4 | -176.3 | 61.1 | 0 | 0 | 0 | 112.3 | T707 M708 Y709 K715 | T707-L711 VanDerWaalsContact O-CB 3.31Å; T707-L711 WeakPolarHBondContact O-CB 3.44Å; T707-L711 PolarHBondContact O-N 3.46Å; M708-L711 CarbonylContact O-C 3.59Å; M708-L711 PolarHBondContact O-N 3.49Å; Y709-L711 PolarHBondContact O-N 3.48Å; L711-K715 WeakPolarHBondContact O-CD 3.41Å; L711-K715 WeakPolarHBondContact O-CG 3.31Å |
| 712 | N | 71.6 | Confident | 75.3 | Confident | 73 Ų | 73 | 107.4 Ų | 107.4 | 39% | 0.39 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -79.2 | -47.7 | 173.9 | -153.4 | 74 | 0 | 0 | 0 | 111.5 | M708 Y709 K714 K715 E716 | M708-N712 PolarHBondContact O-N 3.14Å; Y709-N712 PolarHBondContact O-N 3Å; N712-K714 PolarHBondContact O-N 2.82Å; N712-K715 CarbonylContact O-C 3.56Å; N712-K715 WeakPolarHBondContact O-CA 3.43Å; N712-K715 WeakPolarHBondContact O-CB 3.3Å; N712-K715 PolarHBondContact O-N 2.94Å; N712-E716 PolarHBondContact ND2-OE1 3.08Å; N712-E716 PolarHBondContact ND2-OE2 3.15Å; N712-E716 PolarHBondContact O-N 2.7Å |
| 713 | E | 65 | Low | 75.4 | Confident | 121 Ų | 121 | 109 Ų | 109 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -52.8 | -39.9 | 172.5 | -178.2 | -174.9 | -145.7 | 0 | 0 | 111.4 | Y709 K715 E716 C717 | Y709-E713 VanDerWaalsContact O-CB 3.28Å; Y709-E713 WeakPolarHBondContact O-CB 3.41Å; Y709-E713 PolarHBondContact O-N 3.16Å; E713-K715 VanDerWaalsContact C-N 3.33Å; E713-K715 PolarHBondContact O-N 3.12Å; E713-E716 PolarHBondContact O-N 3.47Å; E713-C717 WeakPolarHBondContact O-CB 3.35Å; E713-C717 PolarHBondContact O-N 3.39Å |
| 714 | K | 73.2 | Confident | 75.4 | Confident | 124 Ų | 124 | 108.2 Ų | 108.2 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.1 | -22.4 | 173.3 | -75.7 | 169 | -168.7 | 161.2 | 0 | 114.2 | Q710 N712 N718 | Q710-K714 WeakPolarHBondContact O-CB 3.22Å; Q710-K714 VanDerWaalsContact O-CD 3.22Å; Q710-K714 WeakPolarHBondContact O-CD 3.3Å; Q710-K714 WeakPolarHBondContact O-CG 3.5Å; Q710-K714 PolarHBondContact O-N 2.98Å; N712-K714 PolarHBondContact O-N 2.82Å; K714-N718 PolarHBondContact O-ND2 3.18Å |
| 715 | K | 67.9 | Low | 75.6 | Confident | 119 Ų | 119 | 109.1 Ų | 109.1 | 52% | 0.517 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -82.6 | -43 | 171.5 | -67.1 | 164.4 | -171.7 | 169.6 | 0 | 110.6 | L711 N712 E713 N718 Q719 | L711-K715 WeakPolarHBondContact O-CD 3.41Å; L711-K715 WeakPolarHBondContact O-CG 3.31Å; N712-K715 CarbonylContact O-C 3.56Å; N712-K715 WeakPolarHBondContact O-CA 3.43Å; N712-K715 WeakPolarHBondContact O-CB 3.3Å; N712-K715 PolarHBondContact O-N 2.94Å; E713-K715 VanDerWaalsContact C-N 3.33Å; E713-K715 PolarHBondContact O-N 3.12Å; K715-N718 WeakPolarHBondContact O-CB 3.43Å; K715-N718 PolarHBondContact O-N 3.24Å; K715-Q719 PolarHBondContact O-N 3.38Å |
| 716 | E | 63.7 | Low | 75.5 | Confident | 105 Ų | 105 | 111.5 Ų | 111.5 | 49% | 0.491 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.3 | -50.6 | 177 | -73.3 | 169.6 | 133.9 | 0 | 0 | 110.7 | N712 E713 N718 Q719 E720 | N712-E716 PolarHBondContact ND2-OE1 3.08Å; N712-E716 PolarHBondContact ND2-OE2 3.15Å; N712-E716 PolarHBondContact O-N 2.7Å; E713-E716 PolarHBondContact O-N 3.47Å; E716-N718 PolarHBondContact O-N 3.35Å; E716-Q719 CarbonylContact O-C 3.51Å; E716-Q719 WeakPolarHBondContact O-CA 3.27Å; E716-Q719 PolarHBondContact O-N 3.29Å; E716-E720 WeakPolarHBondContact O-CB 3.38Å; E716-E720 WeakPolarHBondContact O-CG 3.14Å; E716-E720 PolarHBondContact O-N 3.28Å |
| 717 | C | 57 | Low | 76 | Confident | 55 Ų | 55 | 111.7 Ų | 111.7 | 37% | 0.372 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -56.8 | -34.6 | 175.3 | 177.1 | 0 | 0 | 0 | 0 | 113.2 | E713 H721 | E713-C717 WeakPolarHBondContact O-CB 3.35Å; E713-C717 PolarHBondContact O-N 3.39Å; C717-H721 WeakPolarHBondContact O-CB 3.38Å; C717-H721 PolarHBondContact O-N 3.41Å; C717-H721 PolarHBondContact O-ND1 3.33Å |
| 718 | N | 70.2 | Confident | 76.4 | Confident | 113 Ų | 113 | 112 Ų | 112 | 60% | 0.604 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69.3 | -40.5 | 172.4 | -86.1 | -53.5 | 0 | 0 | 0 | 112.1 | K714 K715 E716 H721 V722 | K714-N718 PolarHBondContact O-ND2 3.18Å; K715-N718 WeakPolarHBondContact O-CB 3.43Å; K715-N718 PolarHBondContact O-N 3.24Å; E716-N718 PolarHBondContact O-N 3.35Å; N718-H721 PolarHBondContact O-N 3.44Å; N718-V722 WeakPolarHBondContact O-CG2 3.27Å; N718-V722 PolarHBondContact O-N 3.4Å |
| 719 | Q | 75.7 | Confident | 76.6 | Confident | 134 Ų | 134 | 110.2 Ų | 110.2 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.9 | -38.9 | 177 | -174.6 | 163.2 | -33.2 | 0 | 0 | 112 | K715 E716 V722 L723 | K715-Q719 PolarHBondContact O-N 3.38Å; E716-Q719 CarbonylContact O-C 3.51Å; E716-Q719 WeakPolarHBondContact O-CA 3.27Å; E716-Q719 PolarHBondContact O-N 3.29Å; Q719-V722 PolarHBondContact O-N 2.92Å; Q719-L723 HydrophobicContact CG-CD1 4.36Å; Q719-L723 WeakPolarHBondContact O-CG 3.24Å; Q719-L723 PolarHBondContact O-N 3Å |
| 720 | E | 72.8 | Confident | 76.8 | Confident | 126 Ų | 126 | 107 Ų | 107 | 59% | 0.589 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.7 | -41.3 | 170.5 | -72 | -175.6 | 144.9 | 0 | 0 | 111.6 | E716 V722 L723 Y724 | E716-E720 WeakPolarHBondContact O-CB 3.38Å; E716-E720 WeakPolarHBondContact O-CG 3.14Å; E716-E720 PolarHBondContact O-N 3.28Å; E720-V722 VanDerWaalsContact C-N 3.31Å; E720-V722 PolarHBondContact O-N 3.42Å; E720-L723 PolarHBondContact O-N 3.28Å; E720-Y724 WeakPolarHBondContact O-CB 3.38Å; E720-Y724 PolarHBondContact O-N 3.46Å |
| 721 | H | 78.3 | Confident | 77.4 | Confident | 126 Ų | 126 | 107.9 Ų | 107.9 | 58% | 0.583 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61 | -38.7 | 173.2 | -89.4 | 73.8 | 0 | 0 | 0 | 112.3 | C717 N718 K725 | C717-H721 WeakPolarHBondContact O-CB 3.38Å; C717-H721 PolarHBondContact O-N 3.41Å; C717-H721 PolarHBondContact O-ND1 3.33Å; N718-H721 PolarHBondContact O-N 3.44Å; H721-K725 VanDerWaalsContact O-CB 3.28Å; H721-K725 WeakPolarHBondContact O-CB 3.07Å; H721-K725 PolarHBondContact O-N 2.9Å |
| 722 | V | 82.8 | Confident | 78.2 | Confident | 90 Ų | 90 | 106.3 Ų | 106.3 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.1 | -41.8 | 174.8 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | N718 Q719 E720 R726 | N718-V722 WeakPolarHBondContact O-CG2 3.27Å; N718-V722 PolarHBondContact O-N 3.4Å; Q719-V722 PolarHBondContact O-N 2.92Å; E720-V722 VanDerWaalsContact C-N 3.31Å; E720-V722 PolarHBondContact O-N 3.42Å; V722-R726 WeakPolarHBondContact O-CB 3.36Å; V722-R726 PolarHBondContact O-N 3.35Å |
| 723 | L | 84.7 | Confident | 79.1 | Confident | 97 Ų | 97 | 108.2 Ų | 108.2 | 51% | 0.508 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.8 | -41.6 | 176.9 | -70.6 | 172.2 | 0 | 0 | 0 | 112.1 | Q719 E720 R726 L727 | Q719-L723 HydrophobicContact CG-CD1 4.36Å; Q719-L723 WeakPolarHBondContact O-CG 3.24Å; Q719-L723 PolarHBondContact O-N 3Å; E720-L723 PolarHBondContact O-N 3.28Å; L723-R726 PolarHBondContact O-N 3.46Å; L723-L727 WeakPolarHBondContact O-CB 3.36Å; L723-L727 PolarHBondContact O-N 3.42Å |
| 724 | Y | 87.5 | Confident | 80.1 | Confident | 141 Ų | 141 | 106.1 Ų | 106.1 | 55% | 0.553 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.8 | -40.4 | 175.8 | 180 | -98.7 | 0 | 0 | 0 | 111.8 | E720 L727 K728 | E720-Y724 WeakPolarHBondContact O-CB 3.38Å; E720-Y724 PolarHBondContact O-N 3.46Å; Y724-L727 PolarHBondContact O-N 2.86Å; Y724-K728 HydrophobicContact CE1-CG 4.16Å; Y724-K728 PolarHBondContact O-N 3.38Å |
| 725 | K | 86.8 | Confident | 81 | Confident | 131 Ų | 131 | 102.9 Ų | 102.9 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.7 | -47.4 | 172.2 | -175.4 | 174.6 | -174.4 | -80.8 | 0 | 111.1 | H721 L727 K728 E729 | H721-K725 VanDerWaalsContact O-CB 3.28Å; H721-K725 WeakPolarHBondContact O-CB 3.07Å; H721-K725 PolarHBondContact O-N 2.9Å; K725-L727 VanDerWaalsContact C-N 3.33Å; K725-L727 PolarHBondContact O-N 3.42Å; K725-K728 PolarHBondContact O-N 2.97Å; K725-E729 WeakPolarHBondContact CE-OE1 3.49Å; K725-E729 WeakPolarHBondContact CG-OE1 3.41Å; K725-E729 IonicContact NZ-OE1 2.77Å; K725-E729 PolarHBondContact NZ-OE1 3.33Å; K725-E729 WeakPolarHBondContact O-CG 3.48Å; K725-E729 PolarHBondContact O-N 2.93Å |
| 726 | R | 84.4 | Confident | 82.1 | Confident | 155 Ų | 155 | 101.7 Ų | 101.7 | 59% | 0.585 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.3 | -39.9 | 175.1 | -177.5 | 177.5 | -69.9 | 175.3 | -1.9 | 112 | V722 L723 E729 E730 | V722-R726 WeakPolarHBondContact O-CB 3.36Å; V722-R726 PolarHBondContact O-N 3.35Å; L723-R726 PolarHBondContact O-N 3.46Å; R726-E729 PolarHBondContact O-N 3.29Å; R726-E730 WeakPolarHBondContact O-CB 3.18Å; R726-E730 PolarHBondContact O-N 3.28Å |
| 727 | L | 88.3 | Confident | 83.5 | Confident | 104 Ų | 104 | 101.8 Ų | 101.8 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 176.5 | -179.8 | 62.7 | 0 | 0 | 0 | 111.2 | L723 Y724 K725 E730 E731 | L723-L727 WeakPolarHBondContact O-CB 3.36Å; L723-L727 PolarHBondContact O-N 3.42Å; Y724-L727 PolarHBondContact O-N 2.86Å; K725-L727 VanDerWaalsContact C-N 3.33Å; K725-L727 PolarHBondContact O-N 3.42Å; L727-E730 PolarHBondContact O-N 2.94Å; L727-E731 VanDerWaalsContact O-CB 3.28Å; L727-E731 WeakPolarHBondContact O-CB 3.23Å; L727-E731 PolarHBondContact O-N 3.23Å |
| 728 | K | 89.1 | Confident | 85.1 | Confident | 88 Ų | 88 | 102.6 Ų | 102.6 | 38% | 0.383 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.3 | -34.2 | 175 | -78.5 | -71.8 | 170 | -155.3 | 0 | 113.2 | Y724 K725 E731 A732 | Y724-K728 HydrophobicContact CE1-CG 4.16Å; Y724-K728 PolarHBondContact O-N 3.38Å; K725-K728 PolarHBondContact O-N 2.97Å; K728-E731 WeakPolarHBondContact CD-OE2 3.38Å; K728-E731 WeakPolarHBondContact CE-OE2 3.27Å; K728-E731 IonicContact NZ-OE1 3.23Å; K728-E731 PolarHBondContact NZ-OE1 3.43Å; K728-E731 IonicContact NZ-OE2 2.88Å; K728-E731 PolarHBondContact NZ-OE2 3.42Å; K728-A732 WeakPolarHBondContact O-CB 3.3Å; K728-A732 PolarHBondContact O-N 2.7Å |
| 729 | E | 83.8 | Confident | 86.2 | Confident | 83 Ų | 83 | 103.7 Ų | 103.7 | 39% | 0.388 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -38.4 | 170.9 | -72.4 | 166.2 | -175.8 | 0 | 0 | 111.9 | K725 R726 K733 | K725-E729 WeakPolarHBondContact CE-OE1 3.49Å; K725-E729 WeakPolarHBondContact CG-OE1 3.41Å; K725-E729 IonicContact NZ-OE1 2.77Å; K725-E729 PolarHBondContact NZ-OE1 3.33Å; K725-E729 WeakPolarHBondContact O-CG 3.48Å; K725-E729 PolarHBondContact O-N 2.93Å; R726-E729 PolarHBondContact O-N 3.29Å; E729-K733 WeakPolarHBondContact O-CG 3.4Å; E729-K733 PolarHBondContact O-N 2.77Å |
| 730 | E | 81.1 | Confident | 87 | Confident | 96 Ų | 96 | 101.7 Ų | 101.7 | 45% | 0.449 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -76.2 | -36.8 | 178.1 | -146.4 | 63.4 | -146.8 | 0 | 0 | 112.7 | R726 L727 A732 K733 S734 | R726-E730 WeakPolarHBondContact O-CB 3.18Å; R726-E730 PolarHBondContact O-N 3.28Å; L727-E730 PolarHBondContact O-N 2.94Å; E730-A732 VanDerWaalsContact C-N 3.3Å; E730-A732 PolarHBondContact O-N 3.38Å; E730-K733 PolarHBondContact O-N 3.06Å; E730-K733 IonicContact OE1-NZ 3.55Å; E730-K733 IonicContact OE2-NZ 2.64Å; E730-K733 PolarHBondContact OE2-NZ 2.97Å; E730-S734 WeakPolarHBondContact O-CB 3.26Å; E730-S734 PolarHBondContact O-N 2.81Å |
| 731 | E | 89 | Confident | 88 | Confident | 96 Ų | 96 | 98.8 Ų | 98.8 | 45% | 0.449 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.3 | -39.7 | 171.3 | -174.9 | -174.5 | 143.1 | 0 | 0 | 111.1 | L727 K728 S734 S735 | L727-E731 VanDerWaalsContact O-CB 3.28Å; L727-E731 WeakPolarHBondContact O-CB 3.23Å; L727-E731 PolarHBondContact O-N 3.23Å; K728-E731 WeakPolarHBondContact CD-OE2 3.38Å; K728-E731 WeakPolarHBondContact CE-OE2 3.27Å; K728-E731 IonicContact NZ-OE1 3.23Å; K728-E731 PolarHBondContact NZ-OE1 3.43Å; K728-E731 IonicContact NZ-OE2 2.88Å; K728-E731 PolarHBondContact NZ-OE2 3.42Å; E731-S734 PolarHBondContact O-N 3.42Å; E731-S735 VanDerWaalsContact O-CB 3.29Å; E731-S735 WeakPolarHBondContact O-CB 3.34Å; E731-S735 PolarHBondContact O-N 3.07Å |
| 732 | A | 88.8 | Confident | 88.7 | Confident | 56 Ų | 56 | 96.6 Ų | 96.6 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K728 E730 S735 H736 | K728-A732 WeakPolarHBondContact O-CB 3.3Å; K728-A732 PolarHBondContact O-N 2.7Å; E730-A732 VanDerWaalsContact C-N 3.3Å; E730-A732 PolarHBondContact O-N 3.38Å; A732-S735 WeakPolarHBondContact O-CB 3.37Å; A732-H736 PolarHBondContact O-N 3.27Å |
| 733 | K | 92.1 | Very high | 89.1 | Confident | 112 Ų | 112 | 94.7 Ų | 94.7 | 49% | 0.487 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 173.1 | -65.8 | 168.8 | -153.2 | 165.4 | 0 | 111.7 | E729 E730 S735 H736 L737 | E729-K733 WeakPolarHBondContact O-CG 3.4Å; E729-K733 PolarHBondContact O-N 2.77Å; E730-K733 PolarHBondContact O-N 3.06Å; E730-K733 IonicContact OE1-NZ 3.55Å; E730-K733 IonicContact OE2-NZ 2.64Å; E730-K733 PolarHBondContact OE2-NZ 2.97Å; K733-S735 VanDerWaalsContact C-N 3.34Å; K733-S735 PolarHBondContact O-N 3.32Å; K733-H736 WeakPolarHBondContact O-CB 3.5Å; K733-H736 PolarHBondContact O-N 3.09Å; K733-L737 PolarHBondContact O-N 2.83Å |
| 734 | S | 85.6 | Confident | 89.5 | Confident | 78 Ų | 78 | 95.3 Ų | 95.3 | 55% | 0.545 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 176.7 | -174 | 0 | 0 | 0 | 0 | 111.5 | E730 E731 H736 L737 S738 | E730-S734 WeakPolarHBondContact O-CB 3.26Å; E730-S734 PolarHBondContact O-N 2.81Å; E731-S734 PolarHBondContact O-N 3.42Å; S734-H736 VanDerWaalsContact C-N 3.32Å; S734-H736 PolarHBondContact O-N 3.03Å; S734-L737 PolarHBondContact O-N 2.84Å; S734-S738 VanDerWaalsContact O-CB 3.26Å; S734-S738 WeakPolarHBondContact O-CB 3.42Å; S734-S738 PolarHBondContact O-N 3.25Å |
| 735 | S | 90.8 | Very high | 89.7 | Confident | 56 Ų | 56 | 94.5 Ų | 94.5 | 39% | 0.392 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59 | -39.6 | 170.6 | 172.5 | 0 | 0 | 0 | 0 | 112.7 | E731 A732 K733 R739 | E731-S735 VanDerWaalsContact O-CB 3.29Å; E731-S735 WeakPolarHBondContact O-CB 3.34Å; E731-S735 PolarHBondContact O-N 3.07Å; A732-S735 WeakPolarHBondContact O-CB 3.37Å; K733-S735 VanDerWaalsContact C-N 3.34Å; K733-S735 PolarHBondContact O-N 3.32Å; S735-R739 WeakPolarHBondContact O-CG 3.35Å; S735-R739 PolarHBondContact O-N 3.12Å; S735-R739 VanDerWaalsContact O-N 3.15Å; S735-R739 PolarHBondContact O-NE 2.97Å; S735-R739 PolarHBondContact OG-NE 3.06Å; S735-R739 PolarHBondContact OG-NH2 3.31Å |
| 736 | H | 91.9 | Very high | 90 | Very high | 94 Ų | 94 | 94.7 Ų | 94.7 | 44% | 0.435 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.5 | -47.7 | 177.8 | -168.7 | -18.2 | 0 | 0 | 0 | 111.7 | A732 K733 S734 S738 R739 E740 | A732-H736 PolarHBondContact O-N 3.27Å; K733-H736 WeakPolarHBondContact O-CB 3.5Å; K733-H736 PolarHBondContact O-N 3.09Å; S734-H736 VanDerWaalsContact C-N 3.32Å; S734-H736 PolarHBondContact O-N 3.03Å; H736-S738 VanDerWaalsContact C-N 3.3Å; H736-S738 PolarHBondContact O-N 2.64Å; H736-R739 WeakPolarHBondContact O-CB 3.31Å; H736-R739 PolarHBondContact O-N 3.48Å; H736-R739 VanDerWaalsContact O-N 3.13Å; H736-E740 IonicContact CE1-OE1 3.06Å; H736-E740 PolarHBondContact CE1-OE1 3.41Å; H736-E740 IonicContact ND1-OE1 2.81Å; H736-E740 WeakPolarHBondContact O-CG 3.36Å; H736-E740 PolarHBondContact O-N 2.94Å |
| 737 | L | 92.3 | Very high | 90.5 | Very high | 106 Ų | 106 | 92.1 Ų | 92.1 | 56% | 0.555 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.9 | -37.4 | 177.8 | -175.5 | 62.4 | 0 | 0 | 0 | 111.5 | K733 S734 E740 V741 | K733-L737 PolarHBondContact O-N 2.83Å; S734-L737 PolarHBondContact O-N 2.84Å; L737-E740 PolarHBondContact O-N 3.1Å; L737-V741 WeakPolarHBondContact O-CB 3.45Å; L737-V741 VanDerWaalsContact O-CG2 3.31Å; L737-V741 WeakPolarHBondContact O-CG2 3.44Å; L737-V741 PolarHBondContact O-N 2.95Å |
| 738 | S | 91.2 | Very high | 90.7 | Very high | 72 Ų | 72 | 91.9 Ų | 91.9 | 50% | 0.503 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 173 | -173.1 | 0 | 0 | 0 | 0 | 111.7 | S734 H736 V741 T742 | S734-S738 VanDerWaalsContact O-CB 3.26Å; S734-S738 WeakPolarHBondContact O-CB 3.42Å; S734-S738 PolarHBondContact O-N 3.25Å; H736-S738 VanDerWaalsContact C-N 3.3Å; H736-S738 PolarHBondContact O-N 2.64Å; S738-V741 PolarHBondContact O-N 3.32Å; S738-T742 PolarHBondContact O-N 3.08Å; S738-T742 PolarHBondContact O-OG1 3.48Å |
| 739 | R | 93.8 | Very high | 90.9 | Very high | 137 Ų | 137 | 93.9 Ų | 93.9 | 52% | 0.517 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.9 | -39 | 174.7 | -80.2 | 174.4 | -79.4 | 131.1 | -8.3 | 113 | S735 H736 T742 A743 | S735-R739 WeakPolarHBondContact O-CG 3.35Å; S735-R739 PolarHBondContact O-N 3.12Å; S735-R739 VanDerWaalsContact O-N 3.15Å; S735-R739 PolarHBondContact O-NE 2.97Å; S735-R739 PolarHBondContact OG-NE 3.06Å; S735-R739 PolarHBondContact OG-NH2 3.31Å; H736-R739 WeakPolarHBondContact O-CB 3.31Å; H736-R739 PolarHBondContact O-N 3.48Å; H736-R739 VanDerWaalsContact O-N 3.13Å; R739-T742 WeakPolarHBondContact CA-OG1 3.42Å; R739-T742 PolarHBondContact O-N 3.01Å; R739-T742 PolarHBondContact O-OG1 3.02Å; R739-A743 WeakPolarHBondContact O-CB 3.34Å; R739-A743 PolarHBondContact O-N 3.06Å |
| 740 | E | 91.6 | Very high | 91.3 | Very high | 91 Ų | 91 | 95.8 Ų | 95.8 | 43% | 0.425 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 173.2 | -69.7 | 177.3 | 152.4 | 0 | 0 | 111.6 | H736 L737 T742 A743 L744 | H736-E740 IonicContact CE1-OE1 3.06Å; H736-E740 PolarHBondContact CE1-OE1 3.41Å; H736-E740 IonicContact ND1-OE1 2.81Å; H736-E740 WeakPolarHBondContact O-CG 3.36Å; H736-E740 PolarHBondContact O-N 2.94Å; L737-E740 PolarHBondContact O-N 3.1Å; E740-T742 VanDerWaalsContact C-N 3.33Å; E740-T742 PolarHBondContact O-N 2.77Å; E740-A743 PolarHBondContact O-N 3.43Å; E740-L744 WeakPolarHBondContact O-CB 3.02Å; E740-L744 VanDerWaalsContact O-CG 3.28Å; E740-L744 WeakPolarHBondContact O-CG 3.45Å; E740-L744 PolarHBondContact O-N 2.82Å |
| 741 | V | 93.6 | Very high | 91.9 | Very high | 66 Ų | 66 | 98 Ų | 98 | 40% | 0.4 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.4 | -37 | 175.5 | 168.1 | 0 | 0 | 0 | 0 | 111.7 | L737 S738 K745 | L737-V741 WeakPolarHBondContact O-CB 3.45Å; L737-V741 VanDerWaalsContact O-CG2 3.31Å; L737-V741 WeakPolarHBondContact O-CG2 3.44Å; L737-V741 PolarHBondContact O-N 2.95Å; S738-V741 PolarHBondContact O-N 3.32Å; V741-K745 HydrophobicContact CG1-CD 4.4Å; V741-K745 WeakPolarHBondContact O-CB 3.49Å; V741-K745 VanDerWaalsContact O-CG 3.29Å; V741-K745 WeakPolarHBondContact O-CG 3.44Å; V741-K745 PolarHBondContact O-N 3.18Å |
| 742 | T | 92.9 | Very high | 92 | Very high | 79 Ų | 79 | 98.3 Ų | 98.3 | 49% | 0.485 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.2 | -42.4 | 173.1 | 47.5 | 0 | 0 | 0 | 0 | 112.5 | S738 R739 E740 L744 K745 E746 | S738-T742 PolarHBondContact O-N 3.08Å; S738-T742 PolarHBondContact O-OG1 3.48Å; R739-T742 WeakPolarHBondContact CA-OG1 3.42Å; R739-T742 PolarHBondContact O-N 3.01Å; R739-T742 PolarHBondContact O-OG1 3.02Å; E740-T742 VanDerWaalsContact C-N 3.33Å; E740-T742 PolarHBondContact O-N 2.77Å; T742-L744 VanDerWaalsContact C-N 3.35Å; T742-L744 PolarHBondContact O-N 3.08Å; T742-K745 WeakPolarHBondContact O-CB 3.34Å; T742-K745 PolarHBondContact O-N 3.38Å; T742-E746 WeakPolarHBondContact O-CB 3.49Å; T742-E746 PolarHBondContact O-N 2.98Å |
| 743 | A | 92.6 | Very high | 92.1 | Very high | 51 Ų | 51 | 97.1 Ų | 97.1 | 42% | 0.421 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.8 | -36.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | R739 E740 E746 K747 | R739-A743 WeakPolarHBondContact O-CB 3.34Å; R739-A743 PolarHBondContact O-N 3.06Å; E740-A743 PolarHBondContact O-N 3.43Å; A743-E746 PolarHBondContact O-N 3.4Å; A743-K747 VanDerWaalsContact O-CB 3.31Å; A743-K747 WeakPolarHBondContact O-CB 3.4Å; A743-K747 PolarHBondContact O-N 2.67Å |
| 744 | L | 91.9 | Very high | 92.1 | Very high | 109 Ų | 109 | 95.3 Ų | 95.3 | 57% | 0.571 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.5 | -39.8 | 172.4 | -73.7 | 169.6 | 0 | 0 | 0 | 111.7 | E740 T742 I748 | E740-L744 WeakPolarHBondContact O-CB 3.02Å; E740-L744 VanDerWaalsContact O-CG 3.28Å; E740-L744 WeakPolarHBondContact O-CG 3.45Å; E740-L744 PolarHBondContact O-N 2.82Å; T742-L744 VanDerWaalsContact C-N 3.35Å; T742-L744 PolarHBondContact O-N 3.08Å; L744-I748 WeakPolarHBondContact O-CB 3.44Å; L744-I748 WeakPolarHBondContact O-CD1 3.38Å; L744-I748 VanDerWaalsContact O-CG1 3.22Å; L744-I748 WeakPolarHBondContact O-CG1 3.5Å; L744-I748 PolarHBondContact O-N 3.02Å |
| 745 | K | 92.6 | Very high | 92.2 | Very high | 124 Ų | 124 | 97.7 Ų | 97.7 | 54% | 0.539 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -46.9 | 173 | -78.2 | 173.5 | 179 | -177.6 | 0 | 111.7 | V741 T742 I748 H749 | V741-K745 HydrophobicContact CG1-CD 4.4Å; V741-K745 WeakPolarHBondContact O-CB 3.49Å; V741-K745 VanDerWaalsContact O-CG 3.29Å; V741-K745 WeakPolarHBondContact O-CG 3.44Å; V741-K745 PolarHBondContact O-N 3.18Å; T742-K745 WeakPolarHBondContact O-CB 3.34Å; T742-K745 PolarHBondContact O-N 3.38Å; K745-I748 PolarHBondContact O-N 2.82Å; K745-H749 PolarHBondContact O-N 2.66Å; K745-H749 VanDerWaalsContact O-N 3.09Å; K745-H749 PolarHBondContact O-ND1 3.42Å |
| 746 | E | 91.9 | Very high | 92.3 | Very high | 136 Ų | 136 | 100.2 Ų | 100.2 | 64% | 0.636 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -57.2 | -50.7 | 176.9 | -176.9 | 168.5 | -146.5 | 0 | 0 | 110.7 | T742 A743 I748 H749 E750 | T742-E746 WeakPolarHBondContact O-CB 3.49Å; T742-E746 PolarHBondContact O-N 2.98Å; A743-E746 PolarHBondContact O-N 3.4Å; E746-I748 VanDerWaalsContact C-N 3.29Å; E746-I748 PolarHBondContact O-N 2.83Å; E746-H749 CarbonylContact O-C 3.59Å; E746-H749 WeakPolarHBondContact O-CA 3.33Å; E746-H749 WeakPolarHBondContact O-CB 3.46Å; E746-H749 PolarHBondContact O-N 3.26Å; E746-E750 PolarHBondContact O-N 3.05Å |
| 747 | K | 95.2 | Very high | 92.2 | Very high | 101 Ų | 101 | 98.4 Ų | 98.4 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.4 | -30.6 | 177.4 | -166.3 | 168.7 | -171.5 | 172.3 | 0 | 114 | A743 E750 Y751 | A743-K747 VanDerWaalsContact O-CB 3.31Å; A743-K747 WeakPolarHBondContact O-CB 3.4Å; A743-K747 PolarHBondContact O-N 2.67Å; K747-E750 PolarHBondContact O-N 3.48Å; K747-Y751 HydrophobicContact CD-CE2 4.15Å; K747-Y751 WeakPolarHBondContact CE-OH 3.46Å; K747-Y751 HydrophobicContact CG-CD2 4.07Å; K747-Y751 HydrophobicContact CG-CE2 3.7Å; K747-Y751 WeakPolarHBondContact O-CD2 3.37Å; K747-Y751 PolarHBondContact O-N 3.05Å |
| 748 | I | 93.8 | Very high | 92.2 | Very high | 98 Ų | 98 | 98.3 Ų | 98.3 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.7 | -40 | 170.9 | -73.9 | 163.4 | 0 | 0 | 0 | 111 | L744 K745 E746 Y751 M752 | L744-I748 WeakPolarHBondContact O-CB 3.44Å; L744-I748 WeakPolarHBondContact O-CD1 3.38Å; L744-I748 VanDerWaalsContact O-CG1 3.22Å; L744-I748 WeakPolarHBondContact O-CG1 3.5Å; L744-I748 PolarHBondContact O-N 3.02Å; K745-I748 PolarHBondContact O-N 2.82Å; E746-I748 VanDerWaalsContact C-N 3.29Å; E746-I748 PolarHBondContact O-N 2.83Å; I748-Y751 PolarHBondContact O-N 2.88Å; I748-M752 HydrophobicContact CG2-SD 4.44Å; I748-M752 WeakPolarHBondContact O-CG 3.47Å; I748-M752 PolarHBondContact O-N 2.84Å |
| 749 | H | 92.4 | Very high | 92.2 | Very high | 131 Ų | 131 | 98.3 Ų | 98.3 | 61% | 0.606 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.3 | -35.9 | 175.2 | -69.1 | 75.1 | 0 | 0 | 0 | 111.8 | K745 E746 M752 G753 | K745-H749 PolarHBondContact O-N 2.66Å; K745-H749 VanDerWaalsContact O-N 3.09Å; K745-H749 PolarHBondContact O-ND1 3.42Å; E746-H749 CarbonylContact O-C 3.59Å; E746-H749 WeakPolarHBondContact O-CA 3.33Å; E746-H749 WeakPolarHBondContact O-CB 3.46Å; E746-H749 PolarHBondContact O-N 3.26Å; H749-M752 PolarHBondContact O-N 3.38Å; H749-G753 PolarHBondContact O-N 2.85Å |
| 750 | E | 92.9 | Very high | 92.1 | Very high | 123 Ų | 123 | 97.6 Ų | 97.6 | 58% | 0.575 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.3 | -49.5 | 169.3 | -66.6 | -174.2 | 134.5 | 0 | 0 | 111.1 | E746 K747 M752 G753 T754 | E746-E750 PolarHBondContact O-N 3.05Å; K747-E750 PolarHBondContact O-N 3.48Å; E750-M752 PolarHBondContact O-N 2.93Å; E750-G753 WeakPolarHBondContact O-CA 3.39Å; E750-G753 PolarHBondContact O-N 3.01Å; E750-G753 VanDerWaalsContact O-N 3.12Å; E750-T754 PolarHBondContact O-N 3.26Å |
| 751 | Y | 92.6 | Very high | 92.2 | Very high | 141 Ų | 141 | 99.4 Ų | 99.4 | 55% | 0.553 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.3 | -43.2 | 178.6 | -77.6 | -52.9 | 0 | 0 | 0 | 112.2 | K747 I748 G753 T754 E755 | K747-Y751 HydrophobicContact CD-CE2 4.15Å; K747-Y751 WeakPolarHBondContact CE-OH 3.46Å; K747-Y751 HydrophobicContact CG-CD2 4.07Å; K747-Y751 HydrophobicContact CG-CE2 3.7Å; K747-Y751 WeakPolarHBondContact O-CD2 3.37Å; K747-Y751 PolarHBondContact O-N 3.05Å; I748-Y751 PolarHBondContact O-N 2.88Å; Y751-G753 VanDerWaalsContact C-N 3.33Å; Y751-G753 PolarHBondContact O-N 3.02Å; Y751-T754 WeakPolarHBondContact CA-OG1 3.44Å; Y751-T754 PolarHBondContact O-N 2.98Å; Y751-T754 VanDerWaalsContact O-N 3.15Å; Y751-T754 PolarHBondContact O-OG1 3.41Å; Y751-E755 PolarHBondContact O-N 3.46Å |
| 752 | M | 91.2 | Very high | 92.1 | Very high | 103 Ų | 103 | 103.5 Ų | 103.5 | 51% | 0.507 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 172.3 | -72.4 | 178.8 | 64.2 | 0 | 0 | 111.8 | I748 H749 E750 T754 E755 E756 | I748-M752 HydrophobicContact CG2-SD 4.44Å; I748-M752 WeakPolarHBondContact O-CG 3.47Å; I748-M752 PolarHBondContact O-N 2.84Å; H749-M752 PolarHBondContact O-N 3.38Å; E750-M752 PolarHBondContact O-N 2.93Å; M752-T754 VanDerWaalsContact C-N 3.31Å; M752-T754 PolarHBondContact O-N 2.86Å; M752-E755 PolarHBondContact O-N 2.72Å; M752-E756 PolarHBondContact O-N 3.47Å |
| 753 | G | 91.2 | Very high | 92.1 | Very high | 32 Ų | 32 | 104 Ų | 104 | 33% | 0.33 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.8 | -36.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | H749 E750 Y751 S757 | H749-G753 PolarHBondContact O-N 2.85Å; E750-G753 WeakPolarHBondContact O-CA 3.39Å; E750-G753 PolarHBondContact O-N 3.01Å; E750-G753 VanDerWaalsContact O-N 3.12Å; Y751-G753 VanDerWaalsContact C-N 3.33Å; Y751-G753 PolarHBondContact O-N 3.02Å; G753-S757 WeakPolarHBondContact O-CB 3.44Å; G753-S757 PolarHBondContact O-N 2.94Å; G753-S757 VanDerWaalsContact O-N 3.13Å |
| 754 | T | 91.6 | Very high | 92.1 | Very high | 73 Ų | 73 | 106.1 Ų | 106.1 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.5 | -39.3 | 172.8 | 63.9 | 0 | 0 | 0 | 0 | 112.6 | E750 Y751 M752 S757 I758 | E750-T754 PolarHBondContact O-N 3.26Å; Y751-T754 WeakPolarHBondContact CA-OG1 3.44Å; Y751-T754 PolarHBondContact O-N 2.98Å; Y751-T754 VanDerWaalsContact O-N 3.15Å; Y751-T754 PolarHBondContact O-OG1 3.41Å; M752-T754 VanDerWaalsContact C-N 3.31Å; M752-T754 PolarHBondContact O-N 2.86Å; T754-S757 WeakPolarHBondContact O-CB 3.14Å; T754-S757 PolarHBondContact O-N 2.84Å; T754-S757 VanDerWaalsContact O-N 3.11Å; T754-I758 WeakPolarHBondContact O-CG1 3.31Å; T754-I758 PolarHBondContact O-N 3.05Å |
| 755 | E | 88.2 | Confident | 92.2 | Very high | 129 Ų | 129 | 106.7 Ų | 106.7 | 60% | 0.603 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.4 | -43.5 | 177 | -176.8 | 171.9 | -150.5 | 0 | 0 | 111.6 | Y751 M752 S757 I758 C759 | Y751-E755 PolarHBondContact O-N 3.46Å; M752-E755 PolarHBondContact O-N 2.72Å; E755-S757 VanDerWaalsContact C-N 3.27Å; E755-S757 PolarHBondContact O-N 3.16Å; E755-I758 PolarHBondContact O-N 3.45Å; E755-C759 WeakPolarHBondContact O-CB 3.2Å; E755-C759 PolarHBondContact O-N 2.96Å; E755-C759 PolarHBondContact O-SG 3.17Å |
| 756 | E | 92.4 | Very high | 92.2 | Very high | 109 Ų | 109 | 103.1 Ų | 103.1 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.7 | -40.1 | 170.2 | -72.7 | -172.1 | -173.6 | 0 | 0 | 112 | M752 C759 R760 | M752-E756 PolarHBondContact O-N 3.47Å; E756-C759 WeakPolarHBondContact O-CB 3.49Å; E756-C759 PolarHBondContact O-N 2.91Å; E756-R760 WeakPolarHBondContact O-CG 3.23Å; E756-R760 PolarHBondContact O-N 3.4Å; E756-R760 IonicContact OE2-CZ 2.66Å; E756-R760 IonicContact OE2-NH1 2.61Å; E756-R760 PolarHBondContact OE2-NH1 3.03Å; E756-R760 IonicContact OE2-NH2 3.92Å |
| 757 | S | 90.1 | Very high | 92.3 | Very high | 56 Ų | 56 | 98.8 Ų | 98.8 | 39% | 0.392 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.9 | -40.1 | 179.7 | -147.7 | 0 | 0 | 0 | 0 | 111.7 | G753 T754 E755 R760 M761 | G753-S757 WeakPolarHBondContact O-CB 3.44Å; G753-S757 PolarHBondContact O-N 2.94Å; G753-S757 VanDerWaalsContact O-N 3.13Å; T754-S757 WeakPolarHBondContact O-CB 3.14Å; T754-S757 PolarHBondContact O-N 2.84Å; T754-S757 VanDerWaalsContact O-N 3.11Å; E755-S757 VanDerWaalsContact C-N 3.27Å; E755-S757 PolarHBondContact O-N 3.16Å; S757-R760 PolarHBondContact O-N 3.26Å; S757-M761 WeakPolarHBondContact O-CB 3.4Å; S757-M761 PolarHBondContact O-N 3.49Å |
| 758 | I | 92.8 | Very high | 92.3 | Very high | 104 Ų | 104 | 99.3 Ų | 99.3 | 53% | 0.533 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 172.5 | -67.2 | 163 | 0 | 0 | 0 | 110.5 | T754 E755 M761 K762 | T754-I758 WeakPolarHBondContact O-CG1 3.31Å; T754-I758 PolarHBondContact O-N 3.05Å; E755-I758 PolarHBondContact O-N 3.45Å; I758-M761 PolarHBondContact O-N 2.96Å; I758-K762 VanDerWaalsContact O-CB 3.26Å; I758-K762 WeakPolarHBondContact O-CB 3.31Å; I758-K762 PolarHBondContact O-N 3Å |
| 759 | C | 91.2 | Very high | 92.1 | Very high | 71 Ų | 71 | 100.3 Ų | 100.3 | 48% | 0.48 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 175.3 | -71.6 | 0 | 0 | 0 | 0 | 112.8 | E755 E756 T763 | E755-C759 WeakPolarHBondContact O-CB 3.2Å; E755-C759 PolarHBondContact O-N 2.96Å; E755-C759 PolarHBondContact O-SG 3.17Å; E756-C759 WeakPolarHBondContact O-CB 3.49Å; E756-C759 PolarHBondContact O-N 2.91Å; C759-T763 PolarHBondContact O-N 3.48Å; C759-T763 VanDerWaalsContact O-N 3.14Å; C759-T763 PolarHBondContact O-OG1 3.16Å |
| 760 | R | 92.3 | Very high | 92.1 | Very high | 123 Ų | 123 | 101.9 Ų | 101.9 | 46% | 0.464 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.1 | -54.9 | 172.1 | -73 | -177.9 | -70 | -99.6 | -0.8 | 110.7 | E756 S757 K762 T763 D764 | E756-R760 WeakPolarHBondContact O-CG 3.23Å; E756-R760 PolarHBondContact O-N 3.4Å; E756-R760 IonicContact OE2-CZ 2.66Å; E756-R760 IonicContact OE2-NH1 2.61Å; E756-R760 PolarHBondContact OE2-NH1 3.03Å; E756-R760 IonicContact OE2-NH2 3.92Å; S757-R760 PolarHBondContact O-N 3.26Å; R760-K762 VanDerWaalsContact C-N 3.3Å; R760-K762 PolarHBondContact O-N 2.87Å; R760-T763 CarbonylContact O-C 3.53Å; R760-T763 WeakPolarHBondContact O-CA 3.49Å; R760-T763 WeakPolarHBondContact O-CB 3.2Å; R760-T763 PolarHBondContact O-N 2.8Å; R760-D764 PolarHBondContact O-N 3.26Å |
| 761 | M | 92.8 | Very high | 92.2 | Very high | 128 Ų | 128 | 102.1 Ų | 102.1 | 63% | 0.631 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -55.7 | -41 | 179.6 | -171.3 | -166.4 | -59.8 | 0 | 0 | 112.9 | S757 I758 T763 D764 H765 | S757-M761 WeakPolarHBondContact O-CB 3.4Å; S757-M761 PolarHBondContact O-N 3.49Å; I758-M761 PolarHBondContact O-N 2.96Å; M761-T763 VanDerWaalsContact C-N 3.33Å; M761-T763 PolarHBondContact O-N 3.47Å; M761-D764 PolarHBondContact O-N 3.35Å; M761-H765 WeakPolarHBondContact O-CB 3.49Å; M761-H765 PolarHBondContact O-N 2.91Å |
| 762 | K | 92.1 | Very high | 92.2 | Very high | 153 Ų | 153 | 100.4 Ų | 100.4 | 67% | 0.665 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.2 | -35.7 | 175.7 | -173.9 | 176.7 | -178.9 | 179.3 | 0 | 112.3 | I758 R760 S766 | I758-K762 VanDerWaalsContact O-CB 3.26Å; I758-K762 WeakPolarHBondContact O-CB 3.31Å; I758-K762 PolarHBondContact O-N 3Å; R760-K762 VanDerWaalsContact C-N 3.3Å; R760-K762 PolarHBondContact O-N 2.87Å; K762-S766 WeakPolarHBondContact O-CB 3.37Å; K762-S766 PolarHBondContact O-N 3.37Å; K762-S766 PolarHBondContact O-OG 3.16Å |
| 763 | T | 92.3 | Very high | 92.2 | Very high | 88 Ų | 88 | 98.7 Ų | 98.7 | 54% | 0.54 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72 | -40.2 | 176.3 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | C759 R760 M761 S766 T767 | C759-T763 PolarHBondContact O-N 3.48Å; C759-T763 VanDerWaalsContact O-N 3.14Å; C759-T763 PolarHBondContact O-OG1 3.16Å; R760-T763 CarbonylContact O-C 3.53Å; R760-T763 WeakPolarHBondContact O-CA 3.49Å; R760-T763 WeakPolarHBondContact O-CB 3.2Å; R760-T763 PolarHBondContact O-N 2.8Å; M761-T763 VanDerWaalsContact C-N 3.33Å; M761-T763 PolarHBondContact O-N 3.47Å; T763-S766 PolarHBondContact O-N 2.89Å; T763-T767 WeakPolarHBondContact O-CB 3.44Å; T763-T767 PolarHBondContact O-N 2.93Å; T763-T767 PolarHBondContact O-OG1 3.04Å |
| 764 | D | 93.3 | Very high | 92.3 | Very high | 97 Ų | 97 | 102 Ų | 102 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.5 | -44.6 | 174.8 | -69.2 | -37.9 | 0 | 0 | 0 | 111.6 | R760 M761 S766 T767 L768 | R760-D764 PolarHBondContact O-N 3.26Å; M761-D764 PolarHBondContact O-N 3.35Å; D764-S766 PolarHBondContact O-N 3.5Å; D764-T767 CarbonylContact O-C 3.55Å; D764-T767 WeakPolarHBondContact O-CB 3.45Å; D764-T767 PolarHBondContact O-N 3.42Å; D764-T767 VanDerWaalsContact O-N 3.09Å; D764-L768 WeakPolarHBondContact O-CB 3.32Å; D764-L768 WeakPolarHBondContact O-CG 3.49Å; D764-L768 PolarHBondContact O-N 3.42Å |
| 765 | H | 92.9 | Very high | 92.3 | Very high | 121 Ų | 121 | 104 Ų | 104 | 56% | 0.56 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -56.9 | -48.2 | 172.8 | -179.1 | 87.4 | 0 | 0 | 0 | 111.6 | M761 T767 L768 Q769 | M761-H765 WeakPolarHBondContact O-CB 3.49Å; M761-H765 PolarHBondContact O-N 2.91Å; H765-T767 PolarHBondContact O-N 3.23Å; H765-L768 PolarHBondContact O-N 2.83Å; H765-Q769 WeakPolarHBondContact O-CB 3.47Å; H765-Q769 PolarHBondContact O-N 2.66Å |
| 766 | S | 93.9 | Very high | 92.5 | Very high | 48 Ų | 48 | 101.8 Ų | 101.8 | 34% | 0.336 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.4 | -33.2 | 175.8 | -56.8 | 0 | 0 | 0 | 0 | 112.5 | K762 T763 D764 R770 | K762-S766 WeakPolarHBondContact O-CB 3.37Å; K762-S766 PolarHBondContact O-N 3.37Å; K762-S766 PolarHBondContact O-OG 3.16Å; T763-S766 PolarHBondContact O-N 2.89Å; D764-S766 PolarHBondContact O-N 3.5Å; S766-R770 WeakPolarHBondContact O-CB 3.42Å; S766-R770 PolarHBondContact O-N 2.95Å |
| 767 | T | 93.2 | Very high | 92.5 | Very high | 45 Ų | 45 | 100.3 Ų | 100.3 | 28% | 0.276 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -78.1 | -37.4 | 178.4 | -60.4 | 0 | 0 | 0 | 0 | 112 | T763 D764 H765 R770 K771 | T763-T767 WeakPolarHBondContact O-CB 3.44Å; T763-T767 PolarHBondContact O-N 2.93Å; T763-T767 PolarHBondContact O-OG1 3.04Å; D764-T767 CarbonylContact O-C 3.55Å; D764-T767 WeakPolarHBondContact O-CB 3.45Å; D764-T767 PolarHBondContact O-N 3.42Å; D764-T767 VanDerWaalsContact O-N 3.09Å; H765-T767 PolarHBondContact O-N 3.23Å; T767-R770 PolarHBondContact O-N 3.42Å; T767-K771 WeakPolarHBondContact O-CG 3.42Å; T767-K771 PolarHBondContact O-N 2.9Å |
| 768 | L | 94.1 | Very high | 92.7 | Very high | 113 Ų | 113 | 104 Ų | 104 | 59% | 0.592 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.9 | -44.2 | 172.2 | -78.1 | 163 | 0 | 0 | 0 | 111.2 | D764 H765 R770 K771 L772 | D764-L768 WeakPolarHBondContact O-CB 3.32Å; D764-L768 WeakPolarHBondContact O-CG 3.49Å; D764-L768 PolarHBondContact O-N 3.42Å; H765-L768 PolarHBondContact O-N 2.83Å; L768-R770 VanDerWaalsContact C-N 3.31Å; L768-R770 PolarHBondContact O-N 3.47Å; L768-K771 PolarHBondContact O-N 3.41Å; L768-K771 VanDerWaalsContact O-N 3.12Å; L768-L772 WeakPolarHBondContact O-CB 3.47Å; L768-L772 PolarHBondContact O-N 3.31Å |
| 769 | Q | 91.3 | Very high | 92.8 | Very high | 118 Ų | 118 | 103.5 Ų | 103.5 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60 | -40.2 | 174.6 | -167.2 | 179.7 | 31.5 | 0 | 0 | 111.8 | H765 T773 | H765-Q769 WeakPolarHBondContact O-CB 3.47Å; H765-Q769 PolarHBondContact O-N 2.66Å; Q769-T773 WeakPolarHBondContact O-CG2 3.39Å; Q769-T773 PolarHBondContact O-N 3.36Å; Q769-T773 PolarHBondContact O-OG1 3.37Å |
| 770 | R | 92.5 | Very high | 92.9 | Very high | 164 Ų | 164 | 106 Ų | 106 | 62% | 0.619 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.1 | -37.3 | 173.3 | -163.8 | -173.5 | -58.1 | 130.5 | 5.1 | 112.8 | S766 T767 L768 T773 Q774 | S766-R770 WeakPolarHBondContact O-CB 3.42Å; S766-R770 PolarHBondContact O-N 2.95Å; T767-R770 PolarHBondContact O-N 3.42Å; L768-R770 VanDerWaalsContact C-N 3.31Å; L768-R770 PolarHBondContact O-N 3.47Å; R770-T773 WeakPolarHBondContact CA-OG1 3.39Å; R770-T773 PolarHBondContact O-OG1 2.98Å; R770-Q774 VanDerWaalsContact O-CB 3.3Å; R770-Q774 WeakPolarHBondContact O-CB 3.25Å; R770-Q774 PolarHBondContact O-N 3.4Å |
| 771 | K | 94 | Very high | 93 | Very high | 129 Ų | 129 | 104.1 Ų | 104.1 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.5 | -43.4 | 175.1 | -76.8 | 176.3 | 178.1 | 179 | 0 | 111.8 | T767 L768 Q774 Q775 | T767-K771 WeakPolarHBondContact O-CG 3.42Å; T767-K771 PolarHBondContact O-N 2.9Å; L768-K771 PolarHBondContact O-N 3.41Å; L768-K771 VanDerWaalsContact O-N 3.12Å; K771-Q774 PolarHBondContact O-N 3.35Å; K771-Q775 WeakPolarHBondContact O-CB 3.5Å; K771-Q775 PolarHBondContact O-N 2.84Å |
| 772 | L | 93.3 | Very high | 92.9 | Very high | 105 Ų | 105 | 102.4 Ų | 102.4 | 55% | 0.55 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60 | -53.3 | 177.5 | 179.4 | 62.6 | 0 | 0 | 0 | 110.9 | L768 Q774 Q775 E776 | L768-L772 WeakPolarHBondContact O-CB 3.47Å; L768-L772 PolarHBondContact O-N 3.31Å; L772-Q774 VanDerWaalsContact C-N 3.32Å; L772-Q774 PolarHBondContact O-N 2.84Å; L772-Q775 CarbonylContact O-C 3.58Å; L772-Q775 WeakPolarHBondContact O-CA 3.29Å; L772-Q775 PolarHBondContact O-N 3.48Å; L772-E776 PolarHBondContact O-N 3.35Å |
| 773 | T | 91.7 | Very high | 92.9 | Very high | 67 Ų | 67 | 98 Ų | 98 | 41% | 0.411 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.6 | -37.9 | 176.7 | 47 | 0 | 0 | 0 | 0 | 112.7 | Q769 R770 Q775 E776 V777 | Q769-T773 WeakPolarHBondContact O-CG2 3.39Å; Q769-T773 PolarHBondContact O-N 3.36Å; Q769-T773 PolarHBondContact O-OG1 3.37Å; R770-T773 WeakPolarHBondContact CA-OG1 3.39Å; R770-T773 PolarHBondContact O-OG1 2.98Å; T773-Q775 VanDerWaalsContact C-N 3.33Å; T773-Q775 PolarHBondContact O-N 3Å; T773-E776 PolarHBondContact O-N 2.92Å; T773-V777 WeakPolarHBondContact O-CG2 3.31Å; T773-V777 PolarHBondContact O-N 3.48Å |
| 774 | Q | 93.4 | Very high | 92.9 | Very high | 101 Ų | 101 | 99.9 Ų | 99.9 | 47% | 0.472 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.4 | -33.7 | 172.5 | -162 | -169.3 | 54.1 | 0 | 0 | 112.5 | R770 K771 L772 V777 R778 | R770-Q774 VanDerWaalsContact O-CB 3.3Å; R770-Q774 WeakPolarHBondContact O-CB 3.25Å; R770-Q774 PolarHBondContact O-N 3.4Å; K771-Q774 PolarHBondContact O-N 3.35Å; L772-Q774 VanDerWaalsContact C-N 3.32Å; L772-Q774 PolarHBondContact O-N 2.84Å; Q774-V777 PolarHBondContact O-N 3.43Å; Q774-R778 VanDerWaalsContact CD-NH2 3.27Å; Q774-R778 WeakPolarHBondContact O-CG 3.09Å; Q774-R778 PolarHBondContact O-N 3.17Å; Q774-R778 VanDerWaalsContact OE1-CZ 3.28Å |
| 775 | Q | 91.6 | Very high | 92.9 | Very high | 114 Ų | 114 | 100.8 Ų | 100.8 | 53% | 0.533 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -76 | -33.5 | 176.5 | -170.6 | 162.6 | -9.1 | 0 | 0 | 112.3 | K771 L772 T773 V777 R778 N779 | K771-Q775 WeakPolarHBondContact O-CB 3.5Å; K771-Q775 PolarHBondContact O-N 2.84Å; L772-Q775 CarbonylContact O-C 3.58Å; L772-Q775 WeakPolarHBondContact O-CA 3.29Å; L772-Q775 PolarHBondContact O-N 3.48Å; T773-Q775 VanDerWaalsContact C-N 3.33Å; T773-Q775 PolarHBondContact O-N 3Å; Q775-V777 VanDerWaalsContact C-N 3.32Å; Q775-V777 PolarHBondContact O-N 2.98Å; Q775-R778 PolarHBondContact O-N 2.92Å; Q775-N779 WeakPolarHBondContact O-CB 3.47Å; Q775-N779 PolarHBondContact O-N 3.31Å; Q775-N779 PolarHBondContact O-OD1 3.44Å |
| 776 | E | 90.8 | Very high | 92.7 | Very high | 84 Ų | 84 | 100.5 Ų | 100.5 | 39% | 0.393 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 167.3 | -71 | 174.4 | -159.9 | 0 | 0 | 111.9 | L772 T773 N779 K780 | L772-E776 PolarHBondContact O-N 3.35Å; T773-E776 PolarHBondContact O-N 2.92Å; E776-N779 PolarHBondContact O-N 2.91Å; E776-K780 WeakPolarHBondContact O-CB 3.17Å; E776-K780 WeakPolarHBondContact O-CD 3.49Å; E776-K780 VanDerWaalsContact O-CG 3.25Å; E776-K780 WeakPolarHBondContact O-CG 3.3Å; E776-K780 PolarHBondContact O-N 2.97Å; E776-K780 IonicContact OE2-NZ 3.66Å |
| 777 | V | 93.9 | Very high | 92.7 | Very high | 78 Ų | 78 | 103.3 Ų | 103.3 | 47% | 0.473 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 174.5 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | T773 Q774 Q775 N779 K780 E781 | T773-V777 WeakPolarHBondContact O-CG2 3.31Å; T773-V777 PolarHBondContact O-N 3.48Å; Q774-V777 PolarHBondContact O-N 3.43Å; Q775-V777 VanDerWaalsContact C-N 3.32Å; Q775-V777 PolarHBondContact O-N 2.98Å; V777-N779 VanDerWaalsContact C-N 3.35Å; V777-N779 PolarHBondContact O-N 2.9Å; V777-K780 CarbonylContact O-C 3.57Å; V777-K780 PolarHBondContact O-N 3.37Å; V777-E781 PolarHBondContact O-N 3Å |
| 778 | R | 94.4 | Very high | 92.6 | Very high | 132 Ų | 132 | 102.9 Ų | 102.9 | 50% | 0.498 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 173.5 | -71.8 | -171.2 | -170.9 | 91.5 | -1 | 113 | Q774 Q775 K780 E781 L782 | Q774-R778 VanDerWaalsContact CD-NH2 3.27Å; Q774-R778 WeakPolarHBondContact O-CG 3.09Å; Q774-R778 PolarHBondContact O-N 3.17Å; Q774-R778 VanDerWaalsContact OE1-CZ 3.28Å; Q775-R778 PolarHBondContact O-N 2.92Å; R778-K780 VanDerWaalsContact C-N 3.35Å; R778-E781 WeakPolarHBondContact O-CA 3.27Å; R778-E781 VanDerWaalsContact O-CB 3.31Å; R778-E781 WeakPolarHBondContact O-CB 3.4Å; R778-E781 PolarHBondContact O-N 3.38Å; R778-E781 VanDerWaalsContact O-N 3.11Å; R778-L782 WeakPolarHBondContact O-CB 3.33Å; R778-L782 PolarHBondContact O-N 3.18Å |
| 779 | N | 93.2 | Very high | 92.4 | Very high | 95 Ų | 95 | 102.9 Ų | 102.9 | 51% | 0.508 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.9 | -37.9 | 176.4 | -71.1 | -0.8 | 0 | 0 | 0 | 111.1 | Q775 E776 V777 E781 A783 | Q775-N779 WeakPolarHBondContact O-CB 3.47Å; Q775-N779 PolarHBondContact O-N 3.31Å; Q775-N779 PolarHBondContact O-OD1 3.44Å; E776-N779 PolarHBondContact O-N 2.91Å; V777-N779 VanDerWaalsContact C-N 3.35Å; V777-N779 PolarHBondContact O-N 2.9Å; N779-E781 VanDerWaalsContact C-N 3.25Å; N779-E781 PolarHBondContact O-N 3.45Å; N779-A783 VanDerWaalsContact O-CB 3.23Å; N779-A783 WeakPolarHBondContact O-CB 3.3Å; N779-A783 PolarHBondContact O-N 3.48Å |
| 780 | K | 94.2 | Very high | 92.3 | Very high | 124 Ų | 124 | 101.4 Ų | 101.4 | 54% | 0.539 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68 | -23 | 171.2 | -70.7 | 162 | -176.6 | 162.3 | 0 | 112.7 | E776 V777 R778 R784 | E776-K780 WeakPolarHBondContact O-CB 3.17Å; E776-K780 WeakPolarHBondContact O-CD 3.49Å; E776-K780 VanDerWaalsContact O-CG 3.25Å; E776-K780 WeakPolarHBondContact O-CG 3.3Å; E776-K780 PolarHBondContact O-N 2.97Å; E776-K780 IonicContact OE2-NZ 3.66Å; V777-K780 CarbonylContact O-C 3.57Å; V777-K780 PolarHBondContact O-N 3.37Å; R778-K780 VanDerWaalsContact C-N 3.35Å; K780-R784 WeakPolarHBondContact O-CG 3.32Å; K780-R784 PolarHBondContact O-NE 3.26Å |
| 781 | E | 93.4 | Very high | 92.2 | Very high | 82 Ų | 82 | 99.1 Ų | 99.1 | 38% | 0.383 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -77.2 | -54.9 | 172 | -158.8 | 117.3 | -99.9 | 0 | 0 | 111.2 | V777 R778 N779 A783 R784 E785 | V777-E781 PolarHBondContact O-N 3Å; R778-E781 WeakPolarHBondContact O-CA 3.27Å; R778-E781 VanDerWaalsContact O-CB 3.31Å; R778-E781 WeakPolarHBondContact O-CB 3.4Å; R778-E781 PolarHBondContact O-N 3.38Å; R778-E781 VanDerWaalsContact O-N 3.11Å; N779-E781 VanDerWaalsContact C-N 3.25Å; N779-E781 PolarHBondContact O-N 3.45Å; E781-A783 PolarHBondContact O-N 3.32Å; E781-R784 VanDerWaalsContact CA-NH2 3.26Å; E781-R784 VanDerWaalsContact CD-NH2 3.35Å; E781-R784 CarbonylContact O-C 3.59Å; E781-R784 WeakPolarHBondContact O-CA 3.37Å; E781-R784 WeakPolarHBondContact O-CB 3.41Å; E781-R784 PolarHBondContact O-N 3.34Å; E781-R784 IonicContact OE1-CZ 2.72Å; E781-R784 IonicContact OE1-NH1 2.68Å; E781-R784 PolarHBondContact OE1-NH1 3.13Å; E781-R784 IonicContact OE1-NH2 3.6Å; E781-R784 PolarHBondContact OE1-NH2 3.05Å; E781-E785 PolarHBondContact O-N 3.09Å |
| 782 | L | 91.2 | Very high | 91.9 | Very high | 93 Ų | 93 | 96.4 Ų | 96.4 | 49% | 0.487 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.5 | -35 | 176.7 | -174.3 | 63.8 | 0 | 0 | 0 | 111.9 | R778 E785 M786 | R778-L782 WeakPolarHBondContact O-CB 3.33Å; R778-L782 PolarHBondContact O-N 3.18Å; L782-E785 PolarHBondContact O-N 2.99Å; L782-M786 HydrophobicContact CG-CG 4.5Å; L782-M786 WeakPolarHBondContact O-CB 3.48Å; L782-M786 WeakPolarHBondContact O-CG 3.43Å; L782-M786 PolarHBondContact O-N 2.84Å |
| 783 | A | 91.8 | Very high | 91.4 | Very high | 59 Ų | 59 | 95.7 Ų | 95.7 | 49% | 0.488 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N779 E781 M786 E787 | N779-A783 VanDerWaalsContact O-CB 3.23Å; N779-A783 WeakPolarHBondContact O-CB 3.3Å; N779-A783 PolarHBondContact O-N 3.48Å; E781-A783 PolarHBondContact O-N 3.32Å; A783-M786 PolarHBondContact O-N 3.1Å; A783-E787 WeakPolarHBondContact O-CB 3.4Å; A783-E787 PolarHBondContact O-N 3.44Å |
| 784 | R | 93.7 | Very high | 91 | Very high | 128 Ų | 128 | 95 Ų | 95 | 48% | 0.483 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.8 | -39 | 174.1 | -76.4 | 175.5 | -78 | 129.7 | -10 | 111.6 | K780 E781 A788 | K780-R784 WeakPolarHBondContact O-CG 3.32Å; K780-R784 PolarHBondContact O-NE 3.26Å; E781-R784 VanDerWaalsContact CA-NH2 3.26Å; E781-R784 VanDerWaalsContact CD-NH2 3.35Å; E781-R784 CarbonylContact O-C 3.59Å; E781-R784 WeakPolarHBondContact O-CA 3.37Å; E781-R784 WeakPolarHBondContact O-CB 3.41Å; E781-R784 PolarHBondContact O-N 3.34Å; E781-R784 IonicContact OE1-CZ 2.72Å; E781-R784 IonicContact OE1-NH1 2.68Å; E781-R784 PolarHBondContact OE1-NH1 3.13Å; E781-R784 IonicContact OE1-NH2 3.6Å; E781-R784 PolarHBondContact OE1-NH2 3.05Å; R784-A788 VanDerWaalsContact O-CB 3.26Å; R784-A788 WeakPolarHBondContact O-CB 3.49Å; R784-A788 PolarHBondContact O-N 3.39Å |
| 785 | E | 93 | Very high | 90.6 | Very high | 117 Ų | 117 | 95.8 Ų | 95.8 | 55% | 0.547 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.3 | -44.5 | 175.4 | -69.4 | 178.8 | 169.4 | 0 | 0 | 112 | E781 L782 A788 L789 | E781-E785 PolarHBondContact O-N 3.09Å; L782-E785 PolarHBondContact O-N 2.99Å; E785-A788 PolarHBondContact O-N 2.95Å; E785-L789 WeakPolarHBondContact O-CB 3.41Å; E785-L789 PolarHBondContact O-N 3.44Å |
| 786 | M | 88.5 | Confident | 89.8 | Confident | 115 Ų | 115 | 98 Ų | 98 | 57% | 0.567 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65.8 | -37 | 175.7 | -75.1 | -160.1 | 77.3 | 0 | 0 | 112.2 | L782 A783 T790 | L782-M786 HydrophobicContact CG-CG 4.5Å; L782-M786 WeakPolarHBondContact O-CB 3.48Å; L782-M786 WeakPolarHBondContact O-CG 3.43Å; L782-M786 PolarHBondContact O-N 2.84Å; A783-M786 PolarHBondContact O-N 3.1Å; M786-T790 VanDerWaalsContact O-CB 3.23Å; M786-T790 WeakPolarHBondContact O-CB 3.25Å; M786-T790 PolarHBondContact O-N 2.89Å; M786-T790 PolarHBondContact O-OG1 3.08Å |
| 787 | E | 92.6 | Very high | 89 | Confident | 106 Ų | 106 | 100.4 Ų | 100.4 | 50% | 0.495 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.3 | -38.9 | 173.4 | -159.8 | -143.6 | 122.3 | 0 | 0 | 111 | A783 T790 R791 | A783-E787 WeakPolarHBondContact O-CB 3.4Å; A783-E787 PolarHBondContact O-N 3.44Å; E787-T790 PolarHBondContact O-N 3.43Å; E787-R791 WeakPolarHBondContact O-CB 3.48Å; E787-R791 WeakPolarHBondContact O-CG 3.4Å; E787-R791 PolarHBondContact O-N 2.89Å; E787-R791 IonicContact OE1-CZ 3.2Å; E787-R791 IonicContact OE1-NE 2.74Å; E787-R791 PolarHBondContact OE1-NE 3.3Å; E787-R791 IonicContact OE1-NH2 2.75Å; E787-R791 PolarHBondContact OE1-NH2 2.91Å; E787-R791 IonicContact OE2-NH2 2.84Å |
| 788 | A | 91.4 | Very high | 87.8 | Confident | 36 Ų | 36 | 104.7 Ų | 104.7 | 30% | 0.298 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R784 E785 T790 R791 E792 | R784-A788 VanDerWaalsContact O-CB 3.26Å; R784-A788 WeakPolarHBondContact O-CB 3.49Å; R784-A788 PolarHBondContact O-N 3.39Å; E785-A788 PolarHBondContact O-N 2.95Å; A788-T790 VanDerWaalsContact C-N 3.32Å; A788-R791 CarbonylContact O-C 3.59Å; A788-R791 WeakPolarHBondContact O-CB 3.35Å; A788-R791 PolarHBondContact O-N 3.45Å; A788-E792 WeakPolarHBondContact O-CB 3.31Å; A788-E792 PolarHBondContact O-N 3.43Å |
| 789 | L | 90.6 | Very high | 86.2 | Confident | 113 Ų | 113 | 105.5 Ų | 105.5 | 59% | 0.592 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67 | -33.2 | 174.7 | -174.3 | 64 | 0 | 0 | 0 | 111.6 | E785 E792 L793 | E785-L789 WeakPolarHBondContact O-CB 3.41Å; E785-L789 PolarHBondContact O-N 3.44Å; L789-E792 HydrophobicContact CD1-CB 4.49Å; L789-E792 WeakPolarHBondContact O-CB 3.31Å; L789-E792 PolarHBondContact O-N 2.98Å; L789-L793 VanDerWaalsContact O-CB 3.26Å; L789-L793 WeakPolarHBondContact O-CB 3.45Å; L789-L793 PolarHBondContact O-N 3.11Å |
| 790 | T | 89.6 | Confident | 84.4 | Confident | 88 Ų | 88 | 104.8 Ų | 104.8 | 54% | 0.54 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.9 | -40.9 | 172.7 | -60.6 | 0 | 0 | 0 | 0 | 110.9 | M786 E787 A788 E792 L793 E794 | M786-T790 VanDerWaalsContact O-CB 3.23Å; M786-T790 WeakPolarHBondContact O-CB 3.25Å; M786-T790 PolarHBondContact O-N 2.89Å; M786-T790 PolarHBondContact O-OG1 3.08Å; E787-T790 PolarHBondContact O-N 3.43Å; A788-T790 VanDerWaalsContact C-N 3.32Å; T790-E792 VanDerWaalsContact C-N 3.32Å; T790-L793 PolarHBondContact O-N 3.21Å; T790-E794 VanDerWaalsContact O-CB 3.23Å; T790-E794 WeakPolarHBondContact O-CB 3.33Å; T790-E794 PolarHBondContact O-N 3.18Å |
| 791 | R | 90.6 | Very high | 82.4 | Confident | 116 Ų | 116 | 106.2 Ų | 106.2 | 44% | 0.438 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -37 | 170.7 | -76.4 | -176.5 | -97.1 | 105.5 | -5.5 | 111.9 | E787 A788 R795 | E787-R791 WeakPolarHBondContact O-CB 3.48Å; E787-R791 WeakPolarHBondContact O-CG 3.4Å; E787-R791 PolarHBondContact O-N 2.89Å; E787-R791 IonicContact OE1-CZ 3.2Å; E787-R791 IonicContact OE1-NE 2.74Å; E787-R791 PolarHBondContact OE1-NE 3.3Å; E787-R791 IonicContact OE1-NH2 2.75Å; E787-R791 PolarHBondContact OE1-NH2 2.91Å; E787-R791 IonicContact OE2-NH2 2.84Å; A788-R791 CarbonylContact O-C 3.59Å; A788-R791 WeakPolarHBondContact O-CB 3.35Å; A788-R791 PolarHBondContact O-N 3.45Å; R791-R795 WeakPolarHBondContact O-CG 3.11Å; R791-R795 PolarHBondContact O-N 3.34Å |
| 792 | E | 87.8 | Confident | 80.1 | Confident | 72 Ų | 72 | 106.9 Ų | 106.9 | 34% | 0.336 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.7 | -48.5 | 173.5 | -157.9 | 70.5 | -92.6 | 0 | 0 | 112 | A788 L789 T790 E794 R795 Y796 | A788-E792 WeakPolarHBondContact O-CB 3.31Å; A788-E792 PolarHBondContact O-N 3.43Å; L789-E792 HydrophobicContact CD1-CB 4.49Å; L789-E792 WeakPolarHBondContact O-CB 3.31Å; L789-E792 PolarHBondContact O-N 2.98Å; T790-E792 VanDerWaalsContact C-N 3.32Å; E792-E794 VanDerWaalsContact C-N 3.31Å; E792-E794 PolarHBondContact O-N 3.48Å; E792-R795 WeakPolarHBondContact O-CA 3.49Å; E792-R795 VanDerWaalsContact O-CB 3.31Å; E792-R795 WeakPolarHBondContact O-CB 3.38Å; E792-R795 PolarHBondContact O-N 3.28Å; E792-R795 VanDerWaalsContact O-N 3.15Å; E792-R795 IonicContact OE1-CZ 3.1Å; E792-R795 IonicContact OE1-NE 2.75Å; E792-R795 PolarHBondContact OE1-NE 2.72Å; E792-R795 IonicContact OE1-NH2 3.25Å; E792-R795 PolarHBondContact OE1-NH2 2.72Å; E792-R795 IonicContact OE2-CZ 2.91Å; E792-R795 IonicContact OE2-NH2 2.67Å; E792-R795 PolarHBondContact OE2-NH2 3.19Å; E792-Y796 HydrophobicContact CG-CD2 4.18Å; E792-Y796 HydrophobicContact CG-CE2 3.86Å; E792-Y796 WeakPolarHBondContact O-CD2 3.41Å; E792-Y796 PolarHBondContact O-N 2.72Å |
| 793 | L | 82.3 | Confident | 78 | Confident | 89 Ų | 89 | 109 Ų | 109 | 47% | 0.466 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.1 | -30.9 | -178.8 | -156.2 | 155.1 | 0 | 0 | 0 | 111.2 | L789 T790 Y796 R797 | L789-L793 VanDerWaalsContact O-CB 3.26Å; L789-L793 WeakPolarHBondContact O-CB 3.45Å; L789-L793 PolarHBondContact O-N 3.11Å; T790-L793 PolarHBondContact O-N 3.21Å; L793-Y796 PolarHBondContact O-N 2.73Å; L793-R797 HydrophobicContact CD2-CG 4.25Å; L793-R797 WeakPolarHBondContact O-CB 3.4Å; L793-R797 WeakPolarHBondContact O-CG 3.42Å; L793-R797 PolarHBondContact O-N 2.86Å |
| 794 | E | 83.9 | Confident | 75.9 | Confident | 54 Ų | 54 | 117.3 Ų | 117.3 | 25% | 0.252 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -74.4 | -32.2 | 170.3 | -174.9 | 54.8 | -156.9 | 0 | 0 | 112.5 | T790 E792 R797 R798 | T790-E794 VanDerWaalsContact O-CB 3.23Å; T790-E794 WeakPolarHBondContact O-CB 3.33Å; T790-E794 PolarHBondContact O-N 3.18Å; E792-E794 VanDerWaalsContact C-N 3.31Å; E792-E794 PolarHBondContact O-N 3.48Å; E794-R797 PolarHBondContact O-N 3.42Å; E794-R797 WeakPolarHBondContact OE2-CD 3.41Å; E794-R798 WeakPolarHBondContact O-CB 3.12Å; E794-R798 VanDerWaalsContact O-CG 3.27Å; E794-R798 WeakPolarHBondContact O-CG 3.42Å; E794-R798 PolarHBondContact O-N 3.19Å; E794-R798 IonicContact OE1-CZ 4Å; E794-R798 IonicContact OE1-NE 3.78Å; E794-R798 PolarHBondContact OE1-NE 3.36Å; E794-R798 IonicContact OE1-NH2 3.62Å; E794-R798 PolarHBondContact OE1-NH2 3.16Å |
| 795 | R | 83.6 | Confident | 73.6 | Confident | 117 Ų | 117 | 117.7 Ų | 117.7 | 44% | 0.442 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -58.6 | -51.8 | 164 | -77.6 | -172.9 | -73.5 | -107.7 | 12.5 | 110.2 | R791 E792 R797 R798 F799 | R791-R795 WeakPolarHBondContact O-CG 3.11Å; R791-R795 PolarHBondContact O-N 3.34Å; E792-R795 WeakPolarHBondContact O-CA 3.49Å; E792-R795 VanDerWaalsContact O-CB 3.31Å; E792-R795 WeakPolarHBondContact O-CB 3.38Å; E792-R795 PolarHBondContact O-N 3.28Å; E792-R795 VanDerWaalsContact O-N 3.15Å; E792-R795 IonicContact OE1-CZ 3.1Å; E792-R795 IonicContact OE1-NE 2.75Å; E792-R795 PolarHBondContact OE1-NE 2.72Å; E792-R795 IonicContact OE1-NH2 3.25Å; E792-R795 PolarHBondContact OE1-NH2 2.72Å; E792-R795 IonicContact OE2-CZ 2.91Å; E792-R795 IonicContact OE2-NH2 2.67Å; E792-R795 PolarHBondContact OE2-NH2 3.19Å; R795-R797 VanDerWaalsContact C-N 3.33Å; R795-R797 PolarHBondContact O-N 2.88Å; R795-R798 PolarHBondContact O-N 3.22Å; R795-F799 VanDerWaalsContact O-CD2 3.25Å; R795-F799 WeakPolarHBondContact O-CD2 3.48Å; R795-F799 PolarHBondContact O-N 2.86Å |
| 796 | Y | 74.4 | Confident | 71.2 | Confident | 159 Ų | 159 | 115.8 Ų | 115.8 | 62% | 0.624 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.6 | -37.2 | 177.2 | -77.7 | -65.2 | 0 | 0 | 0 | 113.2 | E792 L793 F799 S800 | E792-Y796 HydrophobicContact CG-CD2 4.18Å; E792-Y796 HydrophobicContact CG-CE2 3.86Å; E792-Y796 WeakPolarHBondContact O-CD2 3.41Å; E792-Y796 PolarHBondContact O-N 2.72Å; L793-Y796 PolarHBondContact O-N 2.73Å; Y796-F799 PolarHBondContact O-N 2.84Å; Y796-S800 PolarHBondContact O-N 2.98Å; Y796-S800 PolarHBondContact O-OG 2.71Å |
| 797 | R | 75 | Confident | 68.9 | Low | 136 Ų | 136 | 118.2 Ų | 118.2 | 51% | 0.513 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.8 | -33.4 | 172.3 | -81.4 | 174.5 | 169.7 | 169.3 | -0 | 113.2 | L793 E794 R795 S800 K801 | L793-R797 HydrophobicContact CD2-CG 4.25Å; L793-R797 WeakPolarHBondContact O-CB 3.4Å; L793-R797 WeakPolarHBondContact O-CG 3.42Å; L793-R797 PolarHBondContact O-N 2.86Å; E794-R797 PolarHBondContact O-N 3.42Å; E794-R797 WeakPolarHBondContact OE2-CD 3.41Å; R795-R797 VanDerWaalsContact C-N 3.33Å; R795-R797 PolarHBondContact O-N 2.88Å; R797-S800 WeakPolarHBondContact CA-OG 3.14Å; R797-S800 PolarHBondContact O-OG 2.93Å; R797-K801 VanDerWaalsContact O-CB 3.23Å; R797-K801 WeakPolarHBondContact O-CB 3.35Å; R797-K801 WeakPolarHBondContact O-CD 3.32Å; R797-K801 WeakPolarHBondContact O-CG 3.46Å; R797-K801 PolarHBondContact O-N 3.42Å |
| 798 | R | 69.2 | Low | 66.5 | Low | 168 Ų | 168 | 120.2 Ų | 120.2 | 63% | 0.634 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -73.6 | -40.6 | 174.9 | -71.3 | 169.8 | -171 | -154.9 | 2.1 | 111 | E794 R795 K801 S802 | E794-R798 WeakPolarHBondContact O-CB 3.12Å; E794-R798 VanDerWaalsContact O-CG 3.27Å; E794-R798 WeakPolarHBondContact O-CG 3.42Å; E794-R798 PolarHBondContact O-N 3.19Å; E794-R798 IonicContact OE1-CZ 4Å; E794-R798 IonicContact OE1-NE 3.78Å; E794-R798 PolarHBondContact OE1-NE 3.36Å; E794-R798 IonicContact OE1-NH2 3.62Å; E794-R798 PolarHBondContact OE1-NH2 3.16Å; R795-R798 PolarHBondContact O-N 3.22Å; R798-K801 PolarHBondContact O-N 3.34Å; R798-S802 WeakPolarHBondContact O-CB 3.19Å; R798-S802 PolarHBondContact O-N 3.01Å |
| 799 | F | 59.7 | Low | 63.9 | Low | 149 Ų | 149 | 122 Ų | 122 | 65% | 0.654 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -61.1 | -42.1 | 171.1 | -80 | -67.2 | 0 | 0 | 0 | 112.7 | R795 Y796 S802 | R795-F799 VanDerWaalsContact O-CD2 3.25Å; R795-F799 WeakPolarHBondContact O-CD2 3.48Å; R795-F799 PolarHBondContact O-N 2.86Å; Y796-F799 PolarHBondContact O-N 2.84Å; F799-S802 WeakPolarHBondContact O-CB 3.41Å; F799-S802 PolarHBondContact O-N 3.38Å |
| 800 | S | 55.3 | Low | 61.7 | Low | 80 Ų | 80 | 127.4 Ų | 127.4 | 56% | 0.559 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -74.2 | -36 | 177.7 | 65 | 0 | 0 | 0 | 0 | 113.5 | Y796 R797 S802 L803 | Y796-S800 PolarHBondContact O-N 2.98Å; Y796-S800 PolarHBondContact O-OG 2.71Å; R797-S800 WeakPolarHBondContact CA-OG 3.14Å; R797-S800 PolarHBondContact O-OG 2.93Å; S800-S802 PolarHBondContact O-N 3.11Å; S800-L803 PolarHBondContact O-N 3.17Å; S800-L803 VanDerWaalsContact O-N 3.11Å |
| 801 | K | 53.6 | Low | 59.7 | Low | 153 Ų | 153 | 133.9 Ų | 133.9 | 67% | 0.665 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.2 | -23 | 170.7 | -74.7 | 171.5 | -179.2 | 176.5 | 0 | 113.3 | R797 R798 L803 | R797-K801 VanDerWaalsContact O-CB 3.23Å; R797-K801 WeakPolarHBondContact O-CB 3.35Å; R797-K801 WeakPolarHBondContact O-CD 3.32Å; R797-K801 WeakPolarHBondContact O-CG 3.46Å; R797-K801 PolarHBondContact O-N 3.42Å; R798-K801 PolarHBondContact O-N 3.34Å; K801-L803 PolarHBondContact O-N 3.44Å |
| 802 | S | 45.4 | Very low | 57.1 | Low | 97 Ų | 97 | 138.6 Ų | 138.6 | 68% | 0.678 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -11 | 171.9 | -152.4 | 0 | 0 | 0 | 0 | 113.2 | R798 F799 S800 | R798-S802 WeakPolarHBondContact O-CB 3.19Å; R798-S802 PolarHBondContact O-N 3.01Å; F799-S802 WeakPolarHBondContact O-CB 3.41Å; F799-S802 PolarHBondContact O-N 3.38Å; S800-S802 PolarHBondContact O-N 3.11Å |
| 803 | L | 46.7 | Very low | 55 | Low | 137 Ų | 137 | 140 Ų | 140 | 72% | 0.717 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120 | 47.5 | -172.2 | -71 | 171.8 | 0 | 0 | 0 | 114 | S800 K801 | S800-L803 PolarHBondContact O-N 3.17Å; S800-L803 VanDerWaalsContact O-N 3.11Å; K801-L803 PolarHBondContact O-N 3.44Å |
| 804 | R | 47.7 | Very low | 52.7 | Low | 234 Ų | 234 | 143.2 Ų | 143.2 | 88% | 0.883 | 71% | 0.707 | S | S | * | * | trans | 169.1 | 135.5 | 139.5 | -95.5 | 171.2 | -154.1 | -140.2 | 8.9 | 113 | ||||
| 805 | P | 45.1 | Very low | 50.3 | Low | 136 Ų | 136 | 148.3 Ų | 148.3 | 88% | 0.883 | 74% | 0.735 | S | S | * | * | trans | -85.4 | 153.3 | 160.8 | -4.5 | 23.5 | 0 | 0 | 0 | 112.3 | ||||
| 806 | G | 41.5 | Very low | 48 | Very low | 77 Ų | 77 | 151.7 Ų | 151.7 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | 141.5 | 102.4 | 158.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 807 | M | 41.3 | Very low | 46.3 | Very low | 165 Ų | 165 | 150.9 Ų | 150.9 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | 25.4 | 130.8 | 143.6 | -65 | 173.2 | 67.5 | 0 | 0 | 123.6 | ||||
| 808 | N | 41.8 | Very low | 44.3 | Very low | 149 Ų | 149 | 150.6 Ų | 150.6 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | 56.7 | 125.1 | 132.8 | -57.4 | -5.8 | 0 | 0 | 0 | 122.8 | ||||
| 809 | G | 37.8 | Very low | 42.8 | Very low | 73 Ų | 73 | 149 Ų | 149 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | 134.7 | 100.9 | 130.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 810 | R | 43.7 | Very low | 41.8 | Very low | 227 Ų | 227 | 148.5 Ų | 148.5 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | trans | 41.2 | 125.8 | 146.1 | -62.2 | -178.1 | -178.6 | -111.5 | -4.8 | 122.1 | ||||
| 811 | R | 48.3 | Very low | 40.7 | Very low | 223 Ų | 223 | 151.6 Ų | 151.6 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | 43.8 | 117.5 | 140.2 | -62.4 | -176.1 | -175.7 | -97.8 | 3.1 | 120.1 | ||||
| 812 | F | 35 | Very low | 39.5 | Very low | 215 Ų | 215 | 150.2 Ų | 150.2 | 94% | 0.943 | 79% | 0.792 | S | S | * | * | trans | -136.4 | 157.1 | 141.2 | -82.9 | -81.6 | 0 | 0 | 0 | 109.8 | ||||
| 813 | S | 44.3 | Very low | 38.9 | Very low | 103 Ų | 103 | 154.5 Ų | 154.5 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | trans | -122.8 | 160.9 | 176.9 | -59.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 814 | D | 34.2 | Very low | 38.3 | Very low | 155 Ų | 155 | 154.7 Ų | 154.7 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | trans | 49.4 | 115.8 | 159.7 | -54.1 | -23.7 | 0 | 0 | 0 | 119.9 | ||||
| 815 | L | 33.3 | Very low | 37.4 | Very low | 161 Ų | 161 | 152.5 Ų | 152.5 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -146.3 | 109.9 | 146.8 | -166.6 | 67.5 | 0 | 0 | 0 | 110.7 | ||||
| 816 | H | 35.4 | Very low | 37.3 | Very low | 189 Ų | 189 | 151.1 Ų | 151.1 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | trans | -69.9 | 145.1 | 166 | -76.7 | 176.4 | 0 | 0 | 0 | 110.7 | ||||
| 817 | V | 37.2 | Very low | 36.8 | Very low | 141 Ų | 141 | 156 Ų | 156 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | trans | -125.5 | 141.5 | 160.9 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 818 | L | 33.7 | Very low | 36.3 | Very low | 131 Ų | 131 | 154.6 Ų | 154.6 | 69% | 0.686 | 80% | 0.801 | S | S | * | * | trans | -120.5 | 129 | -160.1 | 174 | 78.9 | 0 | 0 | 0 | 112.3 | K820 | L818-K820 HydrophobicContact CD2-CD 4.28Å; L818-K820 HydrophobicContact CD2-CG 4.38Å; L818-K820 HydrophobicContact CG-CG 4.4Å | ||
| 819 | T | 39 | Very low | 35.9 | Very low | 134 Ų | 134 | 154 Ų | 154 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -144.4 | 114.3 | 153.9 | 41.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 820 | K | 38.2 | Very low | 35.6 | Very low | 139 Ų | 139 | 158.2 Ų | 158.2 | 60% | 0.604 | 80% | 0.799 | S | S | * | * | 53.5 | 135.5 | 51.5 | -83.1 | -173.8 | 167.8 | -73.6 | 0 | 112.5 | L818 | L818-K820 HydrophobicContact CD2-CD 4.28Å; L818-K820 HydrophobicContact CD2-CG 4.38Å; L818-K820 HydrophobicContact CG-CG 4.4Å | |||
| 821 | E | 30.6 | Very low | 35.2 | Very low | 145 Ų | 145 | 152.6 Ų | 152.6 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | cis | -167.3 | 153.8 | -9.9 | -158.9 | 155.7 | -148.6 | 0 | 0 | 105.5 | ||||
| 822 | V | 29 | Very low | 34.8 | Very low | 124 Ų | 124 | 147.5 Ų | 147.5 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | 173.3 | 147.5 | 92.2 | 159.5 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 823 | Q | 32.5 | Very low | 34.4 | Very low | 186 Ų | 186 | 144 Ų | 144 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | -117.5 | 151.4 | 165.5 | -61.7 | 173 | -44 | 0 | 0 | 110 | ||||
| 824 | T | 35.6 | Very low | 33.7 | Very low | 141 Ų | 141 | 144.6 Ų | 144.6 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | trans | -152.6 | 134.8 | 147.3 | 37.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 825 | E | 29.1 | Very low | 33.5 | Very low | 189 Ų | 189 | 146 Ų | 146 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -104.3 | -172.8 | 173.8 | -121.9 | -149.6 | 161.2 | 0 | 0 | 110.3 | ||||
| 826 | P | 42.2 | Very low | 33.2 | Very low | 106 Ų | 106 | 144.1 Ų | 144.1 | 69% | 0.688 | 78% | 0.78 | S | S | * | * | trans | -110.2 | 178 | -140.1 | 42.2 | -32 | 0 | 0 | 0 | 114.9 | ||||
| 827 | L | 31.4 | Very low | 32.7 | Very low | 179 Ų | 179 | 143.5 Ų | 143.5 | 94% | 0.937 | 78% | 0.78 | S | S | * | * | trans | -131.9 | 142.9 | 162.1 | -157 | 72.3 | 0 | 0 | 0 | 110 | ||||
| 828 | D | 30.6 | Very low | 32.3 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -111.3 | 143.4 | -177.4 | 177.5 | 24.9 | 0 | 0 | 0 | 109.8 | ||||
| 829 | L | 32.3 | Very low | 32 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 71% | 0.712 | 78% | 0.778 | S | S | * | * | trans | 175.3 | 142.9 | 138.6 | -117.7 | 73.9 | 0 | 0 | 0 | 113.3 | ||||
| 830 | M | 31.3 | Very low | 31.5 | Very low | 162 Ų | 162 | 144.3 Ų | 144.3 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | trans | 71.3 | 133.8 | 154.2 | -61.9 | -63.3 | 100.2 | 0 | 0 | 120.8 | ||||
| 831 | S | 36 | Very low | 31.2 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -128.4 | 143.5 | 160.1 | 171.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 832 | P | 40.2 | Very low | 31.2 | Very low | 116 Ų | 116 | 146 Ų | 146 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | trans | -133.9 | 126.4 | 143 | 34.1 | -21.6 | 0 | 0 | 0 | 114.3 | ||||
| 833 | N | 27.2 | Very low | 31.1 | Very low | 142 Ų | 142 | 144.7 Ų | 144.7 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -35 | 131 | 160 | 176.6 | 15.9 | 0 | 0 | 0 | 115.5 | ||||
| 834 | S | 28 | Very low | 31 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -152.1 | 166.1 | 159.7 | 55.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 835 | K | 30.1 | Very low | 30.9 | Very low | 184 Ų | 184 | 141.3 Ų | 141.3 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | trans | -118.4 | 146.4 | -159.1 | -66 | 177.9 | 178.2 | 176.6 | 0 | 114.8 | ||||
| 836 | T | 28.3 | Very low | 31 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | 56.2 | 99 | 145.2 | -49.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 837 | M | 24.5 | Very low | 30.6 | Very low | 176 Ų | 176 | 137.9 Ų | 137.9 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | -179.1 | 135.8 | 125 | -94.7 | 178.4 | 179.9 | 0 | 0 | 106.6 | |||||
| 838 | V | 29.2 | Very low | 30.4 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | cis | 82.4 | 122.4 | 38.6 | 178.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 839 | Q | 26.5 | Very low | 30.2 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | 69.1 | 152.8 | -178.8 | -66.7 | 160.6 | 17.3 | 0 | 0 | 114.2 | ||||
| 840 | L | 29.3 | Very low | 29.9 | Very low | 136 Ų | 136 | 141.5 Ų | 141.5 | 71% | 0.712 | 76% | 0.762 | S | S | * | * | cis | -137.4 | 169.5 | 18.5 | -164.3 | 63.9 | 0 | 0 | 0 | 113.2 | ||||
| 841 | E | 31.9 | Very low | 29.9 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 58% | 0.575 | 76% | 0.759 | S | S | * | * | trans | -35.1 | 179 | 176.1 | -48.1 | 172.8 | 87.2 | 0 | 0 | 119.1 | ||||
| 842 | R | 30 | Very low | 29.7 | Very low | 197 Ų | 197 | 142.8 Ų | 142.8 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | cis | -163 | 146.7 | 19.2 | -161.3 | 171.1 | -94.3 | 174 | -1.2 | 113.3 | ||||
| 843 | A | 26.9 | Very low | 29.2 | Very low | 96 Ų | 96 | 142.6 Ų | 142.6 | 79% | 0.793 | 76% | 0.76 | S | S | * | * | trans | -164.4 | 105 | 140.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 844 | V | 31.2 | Very low | 29.3 | Very low | 126 Ų | 126 | 144 Ų | 144 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | trans | 24 | 122.8 | 141.5 | -164.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 845 | V | 31.7 | Very low | 29.6 | Very low | 130 Ų | 130 | 145 Ų | 145 | 79% | 0.788 | 76% | 0.764 | S | S | * | * | -145.5 | 157.8 | 65.5 | 177.6 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 846 | N | 32.7 | Very low | 29.6 | Very low | 158 Ų | 158 | 143.4 Ų | 143.4 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | trans | -47.8 | 159.8 | 168.4 | -57.5 | -22.5 | 0 | 0 | 0 | 114.4 | ||||
| 847 | G | 32.5 | Very low | 29.7 | Very low | 65 Ų | 65 | 145.1 Ų | 145.1 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | cis | 137.3 | 160.1 | 4.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 848 | K | 28.1 | Very low | 29.8 | Very low | 198 Ų | 198 | 139.7 Ų | 139.7 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | trans | 86.7 | 144.7 | -165.2 | -55.6 | -75.7 | -164 | 169.6 | 0 | 114.2 | ||||
| 849 | L | 26.7 | Very low | 29.9 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 67% | 0.67 | 76% | 0.759 | S | S | * | * | cis | -178.6 | 119.3 | -48 | -104.2 | 175.5 | 0 | 0 | 0 | 107.8 | ||||
| 850 | Y | 26.7 | Very low | 30.1 | Very low | 201 Ų | 201 | 136.9 Ų | 136.9 | 79% | 0.788 | 76% | 0.756 | S | S | * | * | trans | 62.5 | 165.1 | 160.5 | -75.5 | -108.9 | 0 | 0 | 0 | 117.2 | ||||
| 851 | D | 29.5 | Very low | 30.1 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | cis | -142.1 | 177.8 | 13.3 | -144.7 | -23.4 | 0 | 0 | 0 | 114 | ||||
| 852 | E | 31.6 | Very low | 30 | Very low | 162 Ų | 162 | 140.4 Ų | 140.4 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | trans | -90.9 | 173.2 | -176 | -57.4 | -175.6 | 118.2 | 0 | 0 | 115.2 | ||||
| 853 | S | 30.6 | Very low | 29.9 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | 70.9 | 163.1 | 147.9 | 83.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 854 | E | 30.3 | Very low | 30 | Very low | 171 Ų | 171 | 141.8 Ų | 141.8 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | cis | -157.1 | -176.8 | -26.4 | -123 | -169.4 | -173.8 | 0 | 0 | 108.7 | ||||
| 855 | T | 32.9 | Very low | 30 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | 67.9 | 160.2 | 171.4 | 67.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 856 | D | 29.9 | Very low | 29.8 | Very low | 150 Ų | 150 | 143 Ų | 143 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | cis | 171.8 | 156 | -42.6 | -176 | 27.6 | 0 | 0 | 0 | 107.1 | ||||
| 857 | D | 30.3 | Very low | 29.4 | Very low | 158 Ų | 158 | 142.4 Ų | 142.4 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | trans | 61.1 | 170.8 | 171.4 | -148.7 | -5.3 | 0 | 0 | 0 | 117.8 | ||||
| 858 | G | 28.2 | Very low | 29.1 | Very low | 63 Ų | 63 | 144.4 Ų | 144.4 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | trans | 120.6 | 30 | 159.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 859 | A | 31.1 | Very low | 29 | Very low | 85 Ų | 85 | 143.3 Ų | 143.3 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | trans | 31.1 | 144.6 | 150.1 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 860 | N | 29.5 | Very low | 29 | Very low | 143 Ų | 143 | 147.2 Ų | 147.2 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | trans | 76.2 | 120.3 | 146.9 | -73.7 | -28.9 | 0 | 0 | 0 | 123 | ||||
| 861 | Y | 28.9 | Very low | 29 | Very low | 206 Ų | 206 | 143.5 Ų | 143.5 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | trans | 30.6 | 114.6 | 133.4 | -75.5 | -89 | 0 | 0 | 0 | 120.6 | ||||
| 862 | S | 30.2 | Very low | 29.4 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 88% | 0.881 | 77% | 0.766 | S | S | * | * | -158.8 | 159.8 | 114.4 | -83.1 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 863 | N | 29.3 | Very low | 29.3 | Very low | 151 Ų | 151 | 140 Ų | 140 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | trans | -99.2 | 171.3 | -179.3 | -91 | -47.8 | 0 | 0 | 0 | 111.9 | ||||
| 864 | E | 27.2 | Very low | 29.2 | Very low | 172 Ų | 172 | 142.4 Ų | 142.4 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 73.7 | 147.8 | 165.4 | -61 | -154.3 | 112.9 | 0 | 0 | 118.7 | ||||
| 865 | L | 31 | Very low | 29.1 | Very low | 132 Ų | 132 | 142.2 Ų | 142.2 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | cis | -166.3 | 153.2 | -38.2 | -146 | 76.1 | 0 | 0 | 0 | 108.8 | ||||
| 866 | Q | 27.6 | Very low | 28.7 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | 80 | 148.5 | 158.1 | -56.3 | -176.5 | 29.2 | 0 | 0 | 121.9 | ||||
| 867 | L | 25.9 | Very low | 28.7 | Very low | 144 Ų | 144 | 141.9 Ų | 141.9 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | 72.2 | 134.2 | 146 | -104.1 | 64.8 | 0 | 0 | 0 | 117.4 | ||||
| 868 | T | 25.4 | Very low | 28.5 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 66% | 0.663 | 76% | 0.759 | S | S | * | * | cis | -163 | 170.2 | 9.4 | -28.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 869 | K | 26.9 | Very low | 28.4 | Very low | 175 Ų | 175 | 144.6 Ų | 144.6 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | trans | 100 | 112.7 | 147.4 | -71.1 | 176.4 | -174.3 | 175.5 | 0 | 120.5 | ||||
| 870 | Y | 25.6 | Very low | 28.3 | Very low | 210 Ų | 210 | 147.4 Ų | 147.4 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | 64.2 | 100.9 | 136.1 | -73 | -83.7 | 0 | 0 | 0 | 122.3 | ||||
| 871 | T | 26.3 | Very low | 28.4 | Very low | 123 Ų | 123 | 147.2 Ų | 147.2 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | -40.7 | 166.2 | 127.4 | 41.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 872 | P | 39.1 | Very low | 28.3 | Very low | 108 Ų | 108 | 143.7 Ų | 143.7 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | cis | -153.6 | 174.4 | 39.1 | 43.8 | -22.7 | 0 | 0 | 0 | 120.8 | ||||
| 873 | S | 29.5 | Very low | 28.4 | Very low | 116 Ų | 116 | 143.4 Ų | 143.4 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | trans | 70.4 | 157.6 | 161.1 | 77.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 874 | L | 28.2 | Very low | 28.3 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 86% | 0.859 | 75% | 0.751 | S | S | * | * | cis | -133.2 | 143.8 | 8.6 | 179.8 | 63.8 | 0 | 0 | 0 | 111.3 | ||||
| 875 | M | 27.1 | Very low | 28.3 | Very low | 166 Ų | 166 | 142.6 Ų | 142.6 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -96 | 135.8 | 175.8 | -179.1 | 160.9 | 64.5 | 0 | 0 | 110.6 | ||||
| 876 | N | 25.9 | Very low | 28.2 | Very low | 149 Ų | 149 | 146.6 Ų | 146.6 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | trans | -150.3 | 151.8 | 151.6 | -145.6 | -5.5 | 0 | 0 | 0 | 112.6 | ||||
| 877 | N | 28.6 | Very low | 28.2 | Very low | 130 Ų | 130 | 150.7 Ų | 150.7 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | trans | -76.1 | 174.5 | 169.8 | -71.1 | -77.4 | 0 | 0 | 0 | 108.9 | ||||
| 878 | V | 26.7 | Very low | 28.2 | Very low | 116 Ų | 116 | 148.1 Ų | 148.1 | 70% | 0.703 | 77% | 0.77 | S | S | * | * | cis | -158.3 | 150.1 | 33.3 | -146.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 879 | N | 27 | Very low | 28.2 | Very low | 162 Ų | 162 | 154.6 Ų | 154.6 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | -172.9 | 155.5 | 112.5 | -95.3 | -31.6 | 0 | 0 | 0 | 112.8 | |||||
| 880 | N | 28.2 | Very low | 28.3 | Very low | 145 Ų | 145 | 149.1 Ų | 149.1 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | trans | -133.3 | -179.4 | 177.8 | -155.7 | -31.1 | 0 | 0 | 0 | 108 | ||||
| 881 | L | 31.8 | Very low | 28.7 | Very low | 138 Ų | 138 | 145.6 Ų | 145.6 | 72% | 0.723 | 78% | 0.778 | S | S | * | * | trans | 71.8 | 152.5 | -170.5 | -82.1 | 63 | 0 | 0 | 0 | 114.2 | ||||
| 882 | N | 27 | Very low | 28.6 | Very low | 132 Ų | 132 | 149.5 Ų | 149.5 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | cis | -131.2 | 158.1 | 14.4 | -154.1 | -0.5 | 0 | 0 | 0 | 115.3 | ||||
| 883 | N | 31.9 | Very low | 28 | Very low | 121 Ų | 121 | 151.7 Ų | 151.7 | 65% | 0.647 | 79% | 0.79 | S | S | * | * | trans | -65.3 | 173.6 | 177.5 | -53.7 | -91.5 | 0 | 0 | 0 | 113.4 | ||||
| 884 | N | 26.5 | Very low | 27.9 | Very low | 135 Ų | 135 | 154.5 Ų | 154.5 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | -154.1 | 110.7 | 123.2 | -115.3 | -87.7 | 0 | 0 | 0 | 112.4 | |||||
| 885 | L | 28.1 | Very low | 27.6 | Very low | 170 Ų | 170 | 152.5 Ų | 152.5 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | trans | -109.6 | 104.7 | 155.3 | 174.6 | 64.4 | 0 | 0 | 0 | 107.3 | ||||
| 886 | R | 29.7 | Very low | 27.5 | Very low | 217 Ų | 217 | 154.3 Ų | 154.3 | 82% | 0.819 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 126.6 | 170.8 | -76.5 | -162.5 | -170.6 | -118.2 | 9.1 | 110.6 | ||
| 887 | R | 26.7 | Very low | 27.5 | Very low | 235 Ų | 235 | 154 Ų | 154 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 157 | 145.8 | -165 | 177.2 | -70.8 | -165.2 | -0.3 | 108.2 | ||
| 888 | A | 25.4 | Very low | 27.4 | Very low | 90 Ų | 90 | 153.5 Ų | 153.5 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 159.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 889 | R | 26.1 | Very low | 27.6 | Very low | 244 Ų | 244 | 155.3 Ų | 155.3 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | cis | -156.7 | 161.6 | 36.1 | -162.3 | -178.5 | -164.9 | 174.9 | 4.6 | 112.2 | ||||
| 890 | G | 29.7 | Very low | 27.8 | Very low | 60 Ų | 60 | 155.5 Ų | 155.5 | 62% | 0.619 | 78% | 0.782 | S | S | * | * | trans | -83.1 | -177.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 891 | P | 33 | Very low | 27.8 | Very low | 137 Ų | 137 | 153.7 Ų | 153.7 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | trans | -83.7 | -177.1 | -164.2 | -12.9 | 31.1 | 0 | 0 | 0 | 116.8 | ||||
| 892 | F | 23.7 | Very low | 27.6 | Very low | 205 Ų | 205 | 153.7 Ų | 153.7 | 90% | 0.899 | 78% | 0.776 | S | S | * | * | trans | -76.1 | 159.9 | -178 | -89.6 | -102.5 | 0 | 0 | 0 | 115.7 | ||||
| 893 | L | 28.4 | Very low | 27.7 | Very low | 153 Ų | 153 | 150.3 Ų | 150.3 | 80% | 0.801 | 77% | 0.773 | S | S | * | * | trans | 140.5 | 133.7 | 155.4 | -75.7 | 163.8 | 0 | 0 | 0 | 107.2 | ||||
| 894 | K | 25.6 | Very low | 27.6 | Very low | 176 Ų | 176 | 153.1 Ų | 153.1 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | cis | -153.6 | 145.6 | 12.3 | -135.1 | 165.2 | -171.7 | 176.8 | 0 | 111.1 | ||||
| 895 | T | 23.1 | Very low | 27.6 | Very low | 121 Ų | 121 | 154.6 Ų | 154.6 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | 18.2 | 125.8 | 152.7 | 54.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 896 | K | 24 | Very low | 27.6 | Very low | 205 Ų | 205 | 155.1 Ų | 155.1 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | -166.6 | 154.6 | 96.9 | -122.9 | 176.3 | 179.1 | 178.2 | 0 | 113.4 | |||||
| 897 | D | 26.1 | Very low | 28.3 | Very low | 143 Ų | 143 | 149.8 Ų | 149.8 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | trans | -81.8 | 162.2 | -177.1 | -49.2 | -96.7 | 0 | 0 | 0 | 114.4 | ||||
| 898 | V | 26.1 | Very low | 28.2 | Very low | 119 Ų | 119 | 146.9 Ų | 146.9 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | -174.1 | 124.6 | 121.6 | 142.4 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 899 | H | 32 | Very low | 28.4 | Very low | 154 Ų | 154 | 149.9 Ų | 149.9 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | 25.6 | 150 | 149.9 | -48.2 | -40.9 | 0 | 0 | 0 | 121.8 | ||||
| 900 | Q | 31.3 | Very low | 28.5 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | cis | -160.8 | -170.4 | 2.2 | -120.2 | 171.4 | 87.7 | 0 | 0 | 107 | ||||
| 901 | V | 28.4 | Very low | 28.5 | Very low | 107 Ų | 107 | 145.9 Ų | 145.9 | 65% | 0.648 | 77% | 0.77 | S | S | * | * | cis | -154.7 | 138.2 | 9.9 | 94.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 902 | N | 28 | Very low | 28.4 | Very low | 138 Ų | 138 | 147.3 Ų | 147.3 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | 49 | 134.8 | 109.7 | -150.1 | 31.3 | 0 | 0 | 0 | 118.3 | |||||
| 903 | G | 27.4 | Very low | 28.6 | Very low | 61 Ų | 61 | 145.4 Ų | 145.4 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | cis | -160.6 | 169.4 | 5.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 904 | K | 29.6 | Very low | 28.6 | Very low | 180 Ų | 180 | 143.6 Ų | 143.6 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | 74.7 | 134 | 78.3 | -77 | -164.6 | 174.8 | -172.2 | 0 | 114.8 | |||||
| 905 | M | 27 | Very low | 28.8 | Very low | 166 Ų | 166 | 143.6 Ų | 143.6 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | cis | -151.3 | 178.1 | -4.8 | -62.3 | -148.4 | 70.2 | 0 | 0 | 112.4 | ||||
| 906 | Q | 29.3 | Very low | 29 | Very low | 181 Ų | 181 | 144.3 Ų | 144.3 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | -69.2 | -179.1 | 159.8 | -104.6 | 179 | -4 | 0 | 0 | 113 | ||||
| 907 | P | 42.6 | Very low | 29.2 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | cis | -138.6 | -170.5 | -5 | 31.9 | -7.9 | 0 | 0 | 0 | 116.4 | ||||
| 908 | Q | 25.3 | Very low | 29.3 | Very low | 174 Ų | 174 | 138.9 Ų | 138.9 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | 99.9 | 135.6 | 133.9 | -145 | 175.5 | 2.8 | 0 | 0 | 123.1 | ||||
| 909 | H | 29.6 | Very low | 29.5 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | trans | 88.8 | 156.7 | 151.4 | -123 | -96.6 | 0 | 0 | 0 | 123.2 | ||||
| 910 | N | 29.3 | Very low | 29.4 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | trans | -72.3 | 151.9 | -160.5 | -54.4 | -17.8 | 0 | 0 | 0 | 117 | ||||
| 911 | G | 29.6 | Very low | 29.3 | Very low | 75 Ų | 75 | 140.8 Ų | 140.8 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -177.2 | 134.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 912 | N | 31.2 | Very low | 29.3 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | trans | -66.7 | 150.3 | -179.6 | -54.9 | -34.9 | 0 | 0 | 0 | 111.5 | ||||
| 913 | H | 27.3 | Very low | 29.5 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | 175.3 | 135.2 | 77.8 | -171.4 | 74.7 | 0 | 0 | 0 | 112.8 | |||||
| 914 | I | 27.9 | Very low | 29.6 | Very low | 116 Ų | 116 | 146.6 Ų | 146.6 | 60% | 0.595 | 80% | 0.796 | S | S | * | * | trans | 39.4 | 122.5 | 150.2 | -63.7 | -170.6 | 0 | 0 | 0 | 122.7 | ||||
| 915 | Q | 30.8 | Very low | 30.1 | Very low | 176 Ų | 176 | 144 Ų | 144 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | 53.1 | 148.7 | 152.2 | -65.8 | 174.3 | 37 | 0 | 0 | 119.4 | ||||
| 916 | T | 27.4 | Very low | 30.4 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | cis | -129.1 | -172.2 | 15.6 | 47.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 917 | G | 27.8 | Very low | 30.7 | Very low | 77 Ų | 77 | 140 Ų | 140 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -143 | 159.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 918 | D | 28.2 | Very low | 30.7 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | -153.4 | 134.8 | 164.3 | -169.3 | 6.9 | 0 | 0 | 0 | 108.9 | ||||
| 919 | V | 30.4 | Very low | 31.4 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | trans | -146.5 | 129.1 | 176 | 178.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 920 | M | 29.5 | Very low | 32.1 | Very low | 175 Ų | 175 | 138 Ų | 138 | 86% | 0.862 | 79% | 0.793 | S | S | * | * | trans | -59.9 | 151.1 | -175.6 | -55.1 | 179.1 | 71.5 | 0 | 0 | 114 | ||||
| 921 | L | 28.8 | Very low | 33.3 | Very low | 166 Ų | 166 | 136 Ų | 136 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | -125.1 | 141.8 | 161.6 | -141.8 | 77.5 | 0 | 0 | 0 | 111.7 | ||||
| 922 | T | 29.4 | Very low | 34.2 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | trans | -91.3 | 156.1 | -178 | 47.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 923 | H | 30.3 | Very low | 35.6 | Very low | 182 Ų | 182 | 134.5 Ų | 134.5 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | trans | -100.2 | 166.5 | -171.3 | -103.6 | -84.9 | 0 | 0 | 0 | 115.4 | ||||
| 924 | C | 31.1 | Very low | 36.8 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 75% | 0.75 | 74% | 0.736 | S | S | * | * | trans | 91.1 | 151.4 | 160.3 | -60.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 925 | P | 40.2 | Very low | 37.9 | Very low | 124 Ų | 124 | 128.4 Ų | 128.4 | 81% | 0.805 | 73% | 0.734 | S | S | * | * | cis | -145.2 | 150.4 | -48 | 38.3 | -21.4 | 0 | 0 | 0 | 116.9 | ||||
| 926 | G | 32.8 | Very low | 38.8 | Very low | 78 Ų | 78 | 123.5 Ų | 123.5 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | trans | 99.4 | 125.3 | 135.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 927 | Q | 34.9 | Very low | 39.9 | Very low | 187 Ų | 187 | 125 Ų | 125 | 87% | 0.874 | 71% | 0.711 | S | S | * | * | trans | -158.3 | 158.1 | 154.3 | -105.4 | -175.7 | 9.6 | 0 | 0 | 110.7 | ||||
| 928 | P | 42.3 | Very low | 41 | Very low | 118 Ų | 118 | 124.2 Ų | 124.2 | 77% | 0.766 | 70% | 0.702 | S | S | * | * | trans | -96.2 | 166.1 | -174.8 | 37.7 | -35.2 | 0 | 0 | 0 | 114.9 | ||||
| 929 | L | 41.3 | Very low | 42.1 | Very low | 109 Ų | 109 | 123.4 Ų | 123.4 | 57% | 0.571 | 69% | 0.693 | S | S | * | * | trans | -108.8 | 154.9 | -178.9 | -61.5 | 178.7 | 0 | 0 | 0 | 113.2 | I946 | L929-I946 HydrophobicContact CB-CG2 4.29Å; L929-I946 HydrophobicContact CD1-CG2 4.14Å | ||
| 930 | H | 44.9 | Very low | 43 | Very low | 162 Ų | 162 | 124 Ų | 124 | 75% | 0.75 | 69% | 0.691 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.6 | 143 | 173.1 | -86.2 | -92.9 | 0 | 0 | 0 | 112.1 | I946 T947 | H930-I946 WeakPolarHBondContact O-CA 3.11Å; H930-T947 PolarHBondContact O-N 2.93Å; H930-T947 VanDerWaalsContact O-N 3.1Å |
| 931 | I | 54.2 | Low | 43.9 | Very low | 104 Ų | 104 | 119.9 Ų | 119.9 | 53% | 0.533 | 67% | 0.671 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.8 | 138.1 | 179.7 | -50.9 | -173.2 | 0 | 0 | 0 | 109.7 | L944 E945 I946 | I931-L944 HydrophobicContact CG2-CD2 3.96Å; I931-E945 CarbonylContact C-O 3.5Å; I931-E945 VanDerWaalsContact CA-O 3.32Å; I931-E945 WeakPolarHBondContact CA-O 3.38Å; I931-I946 HydrophobicContact CB-CG1 4.47Å; I931-I946 HydrophobicContact CD1-CD1 3.91Å; I931-I946 HydrophobicContact CD1-CG1 4.12Å; I931-I946 HydrophobicContact CG1-CB 4.47Å; I931-I946 HydrophobicContact CG1-CD1 4.24Å; I931-I946 HydrophobicContact CG1-CG1 3.92Å; I931-I946 HydrophobicContact CG1-CG2 4.18Å; I931-I946 HydrophobicContact CG2-CG1 4.1Å |
| 932 | K | 48.8 | Very low | 45 | Very low | 120 Ų | 120 | 114.7 Ų | 114.7 | 52% | 0.522 | 65% | 0.652 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.6 | 140.4 | 175 | 174.3 | -179 | 158.4 | -129.6 | 0 | 110 | L944 E945 | K932-L944 WeakPolarHBondContact O-CA 3.47Å; K932-E945 HydrophobicContact CB-CB 4.5Å; K932-E945 PolarHBondContact N-O 3.45Å; K932-E945 IonicContact NZ-OE2 2.72Å; K932-E945 PolarHBondContact NZ-OE2 3.48Å; K932-E945 PolarHBondContact O-N 3.37Å |
| 933 | V | 59.6 | Low | 46 | Very low | 90 Ų | 90 | 111.9 Ų | 111.9 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.8 | 135 | -179.5 | -158 | 0 | 0 | 0 | 0 | 109.9 | A942 T943 L944 | V933-A942 HydrophobicContact CG1-CB 4.08Å; V933-T943 WeakPolarHBondContact CA-O 3.33Å; V933-L944 HydrophobicContact CB-CD2 4.03Å; V933-L944 HydrophobicContact CG1-CD2 3.78Å; V933-L944 HydrophobicContact CG2-CD2 3.6Å |
| 934 | T | 53.3 | Low | 46.8 | Very low | 66 Ų | 66 | 107.8 Ų | 107.8 | 41% | 0.405 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -130.3 | 111.9 | 173.9 | -46.3 | 0 | 0 | 0 | 0 | 110.2 | A942 T943 | T934-A942 WeakPolarHBondContact O-CA 2.88Å; T934-T943 PolarHBondContact N-O 3.49Å; T934-T943 PolarHBondContact O-N 3.41Å |
| 935 | P | 49.3 | Very low | 47.8 | Very low | 86 Ų | 86 | 107.1 Ų | 107.1 | 56% | 0.558 | 60% | 0.604 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78 | 136.3 | 178.9 | -14 | 29.9 | 0 | 0 | 0 | 113.2 | A942 | P935-A942 HydrophobicContact CB-CB 4.37Å |
| 936 | D | 50.1 | Low | 48.2 | Very low | 73 Ų | 73 | 106.1 Ų | 106.1 | 39% | 0.39 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105 | 120.1 | 164.1 | 173.8 | 25.8 | 0 | 0 | 0 | 110.1 | G938 H939 M941 | D936-G938 PolarHBondContact OD1-N 2.96Å; D936-H939 IonicContact OD2-CE1 2.7Å; D936-H939 IonicContact OD2-CG 3.75Å; D936-H939 IonicContact OD2-ND1 2.77Å; D936-H939 PolarHBondContact OD2-ND1 3.3Å; D936-M941 PolarHBondContact N-O 3.26Å; D936-M941 PolarHBondContact O-N 2.91Å; D936-M941 VanDerWaalsContact O-O 3.14Å |
| 937 | H | 51.2 | Low | 48.9 | Very low | 168 Ų | 168 | 107.1 Ų | 107.1 | 78% | 0.778 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -3.2 | 179.8 | -74.2 | 17.2 | 0 | 0 | 0 | 113.9 | ||
| 938 | G | 50.2 | Low | 49 | Very low | 59 Ų | 59 | 102.1 Ų | 102.1 | 61% | 0.608 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -34.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D936 | D936-G938 PolarHBondContact OD1-N 2.96Š|
| 939 | H | 52.3 | Low | 49 | Very low | 140 Ų | 140 | 101.3 Ų | 101.3 | 65% | 0.648 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.7 | 5.9 | -166 | -57.9 | 96.9 | 0 | 0 | 0 | 115.2 | D936 M941 | D936-H939 IonicContact OD2-CE1 2.7Å; D936-H939 IonicContact OD2-CG 3.75Å; D936-H939 IonicContact OD2-ND1 2.77Å; D936-H939 PolarHBondContact OD2-ND1 3.3Å; H939-M941 HydrophobicContact CB-CB 4.47Å; H939-M941 HydrophobicContact CB-CG 4.37Å; H939-M941 HydrophobicContact CB-SD 4.32Å; H939-M941 PolarHBondContact O-N 3.12Å |
| 940 | N | 48.3 | Very low | 49 | Very low | 149 Ų | 149 | 103 Ų | 103 | 80% | 0.797 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.5 | 35.8 | -170.2 | -81.1 | -26.8 | 0 | 0 | 0 | 113.2 | ||
| 941 | M | 49.1 | Very low | 48.4 | Very low | 90 Ų | 90 | 101 Ų | 101 | 44% | 0.443 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.8 | 152.9 | 179.2 | -74.8 | 175.8 | 52.9 | 0 | 0 | 110.5 | D936 H939 V962 | D936-M941 PolarHBondContact N-O 3.26Å; D936-M941 PolarHBondContact O-N 2.91Å; D936-M941 VanDerWaalsContact O-O 3.14Å; H939-M941 HydrophobicContact CB-CB 4.47Å; H939-M941 HydrophobicContact CB-CG 4.37Å; H939-M941 HydrophobicContact CB-SD 4.32Å; H939-M941 PolarHBondContact O-N 3.12Å; M941-V962 HydrophobicContact CE-CB 4.37Å; M941-V962 HydrophobicContact CE-CG1 3.8Å; M941-V962 HydrophobicContact CE-CG2 3.69Å; M941-V962 HydrophobicContact SD-CG1 4.26Å |
| 942 | A | 51.3 | Low | 47.4 | Very low | 57 Ų | 57 | 104.4 Ų | 104.4 | 47% | 0.471 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -135.8 | 127.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | V933 T934 P935 | V933-A942 HydrophobicContact CG1-CB 4.08Å; T934-A942 WeakPolarHBondContact O-CA 2.88Å; P935-A942 HydrophobicContact CB-CB 4.37Å |
| 943 | T | 51.1 | Low | 46.7 | Very low | 77 Ų | 77 | 104.8 Ų | 104.8 | 47% | 0.472 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.9 | 136.7 | -174.6 | -34.8 | 0 | 0 | 0 | 0 | 110 | V933 T934 | V933-T943 WeakPolarHBondContact CA-O 3.33Å; T934-T943 PolarHBondContact N-O 3.49Å; T934-T943 PolarHBondContact O-N 3.41Å |
| 944 | L | 46.8 | Very low | 45.8 | Very low | 96 Ų | 96 | 105.9 Ų | 105.9 | 50% | 0.503 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.2 | 122.2 | 177.5 | -68.9 | 169.9 | 0 | 0 | 0 | 110.4 | I931 K932 V933 | I931-L944 HydrophobicContact CG2-CD2 3.96Å; K932-L944 WeakPolarHBondContact O-CA 3.47Å; V933-L944 HydrophobicContact CB-CD2 4.03Å; V933-L944 HydrophobicContact CG1-CD2 3.78Å; V933-L944 HydrophobicContact CG2-CD2 3.6Å |
| 945 | E | 51.7 | Low | 44.8 | Very low | 96 Ų | 96 | 111.2 Ų | 111.2 | 45% | 0.449 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.9 | 126 | 168.8 | -64.3 | 179.3 | 127 | 0 | 0 | 108.6 | I931 K932 | I931-E945 CarbonylContact C-O 3.5Å; I931-E945 VanDerWaalsContact CA-O 3.32Å; I931-E945 WeakPolarHBondContact CA-O 3.38Å; K932-E945 HydrophobicContact CB-CB 4.5Å; K932-E945 PolarHBondContact N-O 3.45Å; K932-E945 IonicContact NZ-OE2 2.72Å; K932-E945 PolarHBondContact NZ-OE2 3.48Å; K932-E945 PolarHBondContact O-N 3.37Å |
| 946 | I | 49.4 | Very low | 43.7 | Very low | 104 Ų | 104 | 112.6 Ų | 112.6 | 53% | 0.533 | 64% | 0.639 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.3 | 133.1 | 173.5 | -51.4 | -173.7 | 0 | 0 | 0 | 107.6 | L929 H930 I931 | L929-I946 HydrophobicContact CB-CG2 4.29Å; L929-I946 HydrophobicContact CD1-CG2 4.14Å; H930-I946 WeakPolarHBondContact O-CA 3.11Å; I931-I946 HydrophobicContact CB-CG1 4.47Å; I931-I946 HydrophobicContact CD1-CD1 3.91Å; I931-I946 HydrophobicContact CD1-CG1 4.12Å; I931-I946 HydrophobicContact CG1-CB 4.47Å; I931-I946 HydrophobicContact CG1-CD1 4.24Å; I931-I946 HydrophobicContact CG1-CG1 3.92Å; I931-I946 HydrophobicContact CG1-CG2 4.18Å; I931-I946 HydrophobicContact CG2-CG1 4.1Å |
| 947 | T | 46.1 | Very low | 42.9 | Very low | 98 Ų | 98 | 118.3 Ų | 118.3 | 60% | 0.601 | 66% | 0.66 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -131.9 | 132.7 | -176.5 | -42.5 | 0 | 0 | 0 | 0 | 111.8 | H930 | H930-T947 PolarHBondContact O-N 2.93Å; H930-T947 VanDerWaalsContact O-N 3.1Å |
| 948 | S | 38.8 | Very low | 41.9 | Very low | 82 Ų | 82 | 116.3 Ų | 116.3 | 57% | 0.573 | 66% | 0.66 | S | S | * | * | trans | -109.9 | 152.2 | 171.2 | 53.6 | 0 | 0 | 0 | 0 | 111.3 | N950 | S948-N950 PolarHBondContact O-N 3.39Š| ||
| 949 | P | 42.1 | Very low | 41 | Very low | 102 Ų | 102 | 119.1 Ų | 119.1 | 66% | 0.662 | 67% | 0.67 | S | S | * | * | trans | -80.9 | 117.9 | 174.5 | -10.4 | 28.6 | 0 | 0 | 0 | 112.2 | ||||
| 950 | N | 39.9 | Very low | 40.3 | Very low | 143 Ų | 143 | 117.4 Ų | 117.4 | 77% | 0.765 | 67% | 0.67 | S | S | * | * | trans | 28.9 | 150.5 | 139 | 60 | 4.6 | 0 | 0 | 0 | 121.8 | S948 | S948-N950 PolarHBondContact O-N 3.39Š| ||
| 951 | T | 33.7 | Very low | 39.6 | Very low | 120 Ų | 120 | 114.9 Ų | 114.9 | 74% | 0.736 | 67% | 0.67 | S | S | * | * | cis | -143.2 | 166.3 | 35.4 | 50 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 952 | E | 32.2 | Very low | 39.1 | Very low | 176 Ų | 176 | 115 Ų | 115 | 82% | 0.822 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 74.6 | 75.9 | 165.8 | -50.5 | -157.9 | 161.3 | 0 | 0 | 119.3 | ||
| 953 | T | 33.5 | Very low | 38.2 | Very low | 129 Ų | 129 | 118.6 Ų | 118.6 | 79% | 0.791 | 69% | 0.685 | S | S | * | * | 30 | 148.8 | 127.6 | 52.9 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 954 | P | 41.7 | Very low | 37.4 | Very low | 112 Ų | 112 | 120.5 Ų | 120.5 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | cis | -145.9 | 111.2 | -26.1 | 36.1 | -14.8 | 0 | 0 | 0 | 114.6 | ||||
| 955 | Q | 31.1 | Very low | 36.9 | Very low | 178 Ų | 178 | 121.4 Ų | 121.4 | 83% | 0.832 | 71% | 0.708 | S | S | * | * | trans | -154.2 | 116.4 | 157.4 | -115.9 | 171.2 | 21.5 | 0 | 0 | 111.1 | ||||
| 956 | S | 27.8 | Very low | 36.1 | Very low | 116 Ų | 116 | 122.8 Ų | 122.8 | 81% | 0.811 | 73% | 0.729 | S | S | * | * | trans | -94.3 | 112.6 | -169.8 | -57.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 957 | F | 32.4 | Very low | 35.5 | Very low | 192 Ų | 192 | 122 Ų | 122 | 84% | 0.842 | 75% | 0.747 | S | S | * | * | trans | -95.5 | 92 | 166.5 | -75.7 | -78.8 | 0 | 0 | 0 | 110.8 | S959 | F957-S959 PolarHBondContact O-N 2.96Š| ||
| 958 | T | 30.4 | Very low | 35.1 | Very low | 126 Ų | 126 | 120.3 Ų | 120.3 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | trans | -72.4 | 107.6 | 172.9 | -54.8 | 0 | 0 | 0 | 0 | 109.9 | T960 | T958-T960 HydrophobicContact CG2-CG2 4.42Š| ||
| 959 | S | 32 | Very low | 35.4 | Very low | 118 Ų | 118 | 122.3 Ų | 122.3 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | trans | -108.7 | 95.9 | -179.5 | -163.1 | 0 | 0 | 0 | 0 | 111.4 | F957 A961 | F957-S959 PolarHBondContact O-N 2.96Å; S959-A961 PolarHBondContact O-N 3.27Å | ||
| 960 | T | 36.8 | Very low | 35.3 | Very low | 105 Ų | 105 | 123.3 Ų | 123.3 | 64% | 0.644 | 77% | 0.766 | S | S | * | * | trans | -84.1 | 101.8 | 177 | 49.2 | 0 | 0 | 0 | 0 | 111.1 | T958 | T958-T960 HydrophobicContact CG2-CG2 4.42Š| ||
| 961 | A | 34.5 | Very low | 34.8 | Very low | 95 Ų | 95 | 126.6 Ų | 126.6 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -84 | 128 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S959 | S959-A961 PolarHBondContact O-N 3.27Š| ||
| 962 | V | 36.9 | Very low | 34.9 | Very low | 93 Ų | 93 | 129.9 Ų | 129.9 | 56% | 0.564 | 78% | 0.78 | S | S | * | * | trans | -100.6 | 128.6 | 177.2 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | M941 | M941-V962 HydrophobicContact CE-CB 4.37Å; M941-V962 HydrophobicContact CE-CG1 3.8Å; M941-V962 HydrophobicContact CE-CG2 3.69Å; M941-V962 HydrophobicContact SD-CG1 4.26Å | ||
| 963 | I | 33.7 | Very low | 34.9 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | trans | -103 | 115.7 | 175.5 | -57.7 | 176.4 | 0 | 0 | 0 | 108.9 | T965 | I963-T965 PolarHBondContact O-N 3.39Š| ||
| 964 | P | 35 | Very low | 34.7 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | -72.8 | 114.6 | 173.3 | -14.8 | 30.2 | 0 | 0 | 0 | 110.8 | ||||
| 965 | T | 34.9 | Very low | 34.1 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 130.1 | 167.5 | 53 | 0 | 0 | 0 | 0 | 110.1 | I963 G967 | I963-T965 PolarHBondContact O-N 3.39Å; T965-G967 PolarHBondContact O-N 3.5Å |
| 966 | S | 35.7 | Very low | 33.9 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 88% | 0.881 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 129 | -177.9 | -52.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 967 | G | 36.9 | Very low | 34 | Very low | 88 Ų | 88 | 134.2 Ų | 134.2 | 91% | 0.907 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 137 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | T965 | T965-G967 PolarHBondContact O-N 3.5Š|
| 968 | G | 36.9 | Very low | 33.7 | Very low | 62 Ų | 62 | 132.5 Ų | 132.5 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | trans | -130 | 143.5 | 158.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 969 | P | 45.5 | Very low | 33.6 | Very low | 123 Ų | 123 | 133 Ų | 133 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | trans | -66.8 | 146.1 | -175.6 | 26.5 | -34.1 | 0 | 0 | 0 | 112.2 | K971 | P969-K971 PolarHBondContact O-N 3.03Š| ||
| 970 | P | 39 | Very low | 33.5 | Very low | 124 Ų | 124 | 132 Ų | 132 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | trans | -72.9 | 126.7 | -171 | 28.3 | -34.9 | 0 | 0 | 0 | 112.8 | Q972 | P970-Q972 PolarHBondContact O-N 3.18Š| ||
| 971 | K | 30.2 | Very low | 33.1 | Very low | 212 Ų | 212 | 131.7 Ų | 131.7 | 92% | 0.922 | 77% | 0.772 | S | S | * | * | trans | -74.3 | 110.8 | 167.7 | -71.1 | 179.5 | 178 | 176.4 | 0 | 109.9 | P969 R973 | P969-K971 PolarHBondContact O-N 3.03Å; K971-R973 PolarHBondContact O-N 3.21Å | ||
| 972 | Q | 36.1 | Very low | 32.9 | Very low | 188 Ų | 188 | 134 Ų | 134 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | trans | -80.2 | 118.1 | 165.2 | -76.1 | -164.4 | -6.4 | 0 | 0 | 111.5 | P970 | P970-Q972 PolarHBondContact O-N 3.18Š| ||
| 973 | R | 32.8 | Very low | 32.4 | Very low | 236 Ų | 236 | 134.5 Ų | 134.5 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | trans | 23.2 | 123.8 | 143.1 | -153.4 | 173.2 | -172 | -176.5 | 1.2 | 119.1 | K971 | K971-R973 PolarHBondContact O-N 3.21Š| ||
| 974 | I | 28.4 | Very low | 33.2 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | trans | -41.1 | 133.1 | 169.5 | -59.3 | 154.2 | 0 | 0 | 0 | 114.2 | I976 | I974-I976 HydrophobicContact CG2-CG1 3.75Š| ||
| 975 | T | 27.9 | Very low | 32.8 | Very low | 142 Ų | 142 | 134 Ų | 134 | 87% | 0.871 | 78% | 0.78 | S | S | * | * | trans | -127.4 | 140.2 | 137.8 | -64.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 976 | I | 28.2 | Very low | 32.6 | Very low | 135 Ų | 135 | 133.5 Ų | 133.5 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | trans | -93.8 | 137.6 | -173.8 | -58.6 | 166.8 | 0 | 0 | 0 | 109.5 | I974 | I974-I976 HydrophobicContact CG2-CG1 3.75Š| ||
| 977 | I | 29.6 | Very low | 32.4 | Very low | 145 Ų | 145 | 136.7 Ų | 136.7 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | trans | 179.7 | 123.7 | 134 | -93.7 | 154.6 | 0 | 0 | 0 | 111.7 | ||||
| 978 | Q | 26.7 | Very low | 31.9 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | trans | 55.3 | 119.5 | 149.9 | -67.3 | 175.5 | -1.1 | 0 | 0 | 123.3 | ||||
| 979 | N | 28.9 | Very low | 31.6 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | 78.2 | 108.2 | 130 | -56.5 | -6.4 | 0 | 0 | 0 | 121.7 | ||||
| 980 | A | 28.5 | Very low | 30.7 | Very low | 96 Ų | 96 | 140.8 Ų | 140.8 | 79% | 0.793 | 77% | 0.769 | S | S | * | * | 57.6 | 148.5 | 121.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 981 | S | 28.3 | Very low | 30.8 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | cis | -177.8 | 165.1 | -20.2 | 52.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 982 | I | 30.4 | Very low | 30.6 | Very low | 143 Ų | 143 | 135.2 Ų | 135.2 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | trans | 72.2 | 136.3 | 162.3 | -13.5 | -177.2 | 0 | 0 | 0 | 120.3 | ||||
| 983 | S | 27.6 | Very low | 30.3 | Very low | 105 Ų | 105 | 133 Ų | 133 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | trans | -77.7 | -160.8 | 161.1 | -34.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 984 | P | 49.1 | Very low | 30 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | cis | -138.1 | -165.9 | -4.1 | 40.1 | -18.6 | 0 | 0 | 0 | 116.1 | ||||
| 985 | T | 28.2 | Very low | 30 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | -59.9 | 160.7 | 168.3 | 50.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 986 | T | 30.9 | Very low | 30 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 64% | 0.644 | 75% | 0.754 | S | S | * | * | -178.4 | 155.3 | 75.2 | 45.9 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 987 | K | 31.2 | Very low | 29.7 | Very low | 192 Ų | 192 | 132 Ų | 132 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | trans | 47.7 | 143.7 | 136 | -64.3 | 174.4 | -175.6 | 179.1 | 0 | 120.2 | ||||
| 988 | S | 26.5 | Very low | 29.6 | Very low | 98 Ų | 98 | 129.4 Ų | 129.4 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | cis | -176.4 | -177.9 | -3.2 | 46.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 989 | I | 30.4 | Very low | 29.6 | Very low | 161 Ų | 161 | 126.7 Ų | 126.7 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | trans | 99.4 | 135.7 | 164 | -56.6 | 167.4 | 0 | 0 | 0 | 115.9 | ||||
| 990 | S | 26.3 | Very low | 29.6 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | -85.9 | -169.9 | -177.7 | 56.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 991 | P | 41.3 | Very low | 29.6 | Very low | 99 Ų | 99 | 126.7 Ų | 126.7 | 64% | 0.643 | 75% | 0.745 | S | S | * | * | cis | -142.8 | -177.7 | 8.4 | 42.5 | -22.4 | 0 | 0 | 0 | 117.2 | ||||
| 992 | T | 25.7 | Very low | 29.6 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | trans | 53.4 | 126.2 | 156.1 | 50.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 993 | T | 29.9 | Very low | 29.4 | Very low | 142 Ų | 142 | 131.6 Ų | 131.6 | 87% | 0.871 | 76% | 0.759 | S | S | * | * | -161.2 | -178.4 | 72.2 | 31.8 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 994 | K | 26.3 | Very low | 30.2 | Very low | 206 Ų | 206 | 131.9 Ų | 131.9 | 90% | 0.896 | 76% | 0.758 | S | S | * | * | trans | -98.6 | 139.2 | -172.1 | -51.1 | 165.6 | -176.7 | 173.3 | 0 | 111.6 | ||||
| 995 | S | 28.8 | Very low | 29.2 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | -170.9 | 155 | 128.2 | 50.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 996 | K | 26.9 | Very low | 29.1 | Very low | 192 Ų | 192 | 130.9 Ų | 130.9 | 84% | 0.835 | 76% | 0.758 | S | S | * | * | trans | -10.6 | 135.8 | 163 | -58 | 171.8 | -179.3 | 178.7 | 0 | 116.6 | ||||
| 997 | C | 23.2 | Very low | 29.8 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | 59.9 | 125.7 | 62.8 | -156.3 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 998 | S | 26.3 | Very low | 29.6 | Very low | 90 Ų | 90 | 128.9 Ų | 128.9 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | cis | -154.7 | 177 | 25.9 | 54.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 999 | S | 26.7 | Very low | 29.7 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | trans | 65 | 155 | 140.2 | 62 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1000 | I | 28.6 | Very low | 29.5 | Very low | 150 Ų | 150 | 130.9 Ų | 130.9 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | cis | -162.7 | 161.9 | -15.2 | -113 | 167.7 | 0 | 0 | 0 | 107.5 | ||||
| 1001 | S | 29.8 | Very low | 29.7 | Very low | 85 Ų | 85 | 134 Ų | 134 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | trans | 55.2 | 124.7 | 160.4 | 65.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1002 | D | 27.2 | Very low | 28.9 | Very low | 162 Ų | 162 | 134.5 Ų | 134.5 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | 80.4 | 146.3 | 125 | -54.2 | -2.6 | 0 | 0 | 0 | 123.6 | |||||
| 1003 | E | 27.3 | Very low | 30.1 | Very low | 182 Ų | 182 | 133.2 Ų | 133.2 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | trans | -65.5 | 179.3 | 175.4 | -81 | -176.8 | 98.9 | 0 | 0 | 115.6 | ||||
| 1004 | P | 44.4 | Very low | 30 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | cis | -133 | -173.4 | -14.1 | 21.5 | 2.7 | 0 | 0 | 0 | 114.4 | ||||
| 1005 | C | 27.6 | Very low | 30.3 | Very low | 118 Ų | 118 | 131 Ų | 131 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | 99.5 | 134.5 | 145.5 | -148.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1006 | S | 26.2 | Very low | 30.3 | Very low | 99 Ų | 99 | 133.8 Ų | 133.8 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | trans | -58.6 | 164.1 | 167 | 48.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1007 | P | 45.8 | Very low | 30.5 | Very low | 117 Ų | 117 | 128.8 Ų | 128.8 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | cis | -154.9 | 165.8 | 41.2 | 43.7 | -22.5 | 0 | 0 | 0 | 121.8 | ||||
| 1008 | D | 26.1 | Very low | 30.7 | Very low | 138 Ų | 138 | 129.6 Ų | 129.6 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | trans | 64 | 154.1 | 142.6 | -159.3 | 31.2 | 0 | 0 | 0 | 122.8 | ||||
| 1009 | R | 28.9 | Very low | 30.9 | Very low | 219 Ų | 219 | 135.1 Ų | 135.1 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | trans | 72.6 | 111.5 | 155.8 | -97.7 | 171.5 | -175.6 | -153.8 | -0.7 | 121.8 | ||||
| 1010 | A | 26 | Very low | 31 | Very low | 83 Ų | 83 | 135.7 Ų | 135.7 | 69% | 0.686 | 76% | 0.756 | S | S | * | * | 133 | 135.6 | 101.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 1011 | L | 31.1 | Very low | 31 | Very low | 167 Ų | 167 | 139 Ų | 139 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | trans | 68.4 | 98.5 | 149.1 | -61.8 | 164.8 | 0 | 0 | 0 | 122 | ||||
| 1012 | S | 25.1 | Very low | 30.9 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | 7.8 | 169.2 | 109.4 | -108.9 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1013 | P | 49.4 | Very low | 31 | Very low | 92 Ų | 92 | 138.1 Ų | 138.1 | 60% | 0.597 | 76% | 0.755 | S | S | * | * | cis | -147.2 | -168.4 | 1.3 | 33.9 | -8.4 | 0 | 0 | 0 | 117.8 | ||||
| 1014 | F | 29.2 | Very low | 31.1 | Very low | 184 Ų | 184 | 135.4 Ų | 135.4 | 81% | 0.807 | 75% | 0.751 | S | S | * | * | trans | 64.1 | 110.9 | 149 | -68.9 | -44.6 | 0 | 0 | 0 | 121.2 | ||||
| 1015 | T | 31.9 | Very low | 31.6 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 73% | 0.73 | 75% | 0.75 | S | S | * | * | 86.5 | 130.2 | 67.8 | 54.8 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 1016 | M | 29.6 | Very low | 31.8 | Very low | 172 Ų | 172 | 136.5 Ų | 136.5 | 85% | 0.847 | 75% | 0.749 | S | S | * | * | -169.8 | 161 | 113.7 | -106.2 | -157.3 | 73.8 | 0 | 0 | 114.6 | |||||
| 1017 | T | 31.1 | Very low | 31.7 | Very low | 88 Ų | 88 | 136.8 Ų | 136.8 | 54% | 0.54 | 75% | 0.751 | S | S | . | * | trans | -108.9 | 156.5 | 178.4 | 39.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1018 | T | 26.9 | Very low | 31 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | trans | -155.2 | 158.7 | 144.5 | -18.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1019 | Y | 29.7 | Very low | 31.1 | Very low | 206 Ų | 206 | 134.1 Ų | 134.1 | 81% | 0.808 | 76% | 0.756 | S | S | * | * | trans | -101.4 | 158.4 | -165.9 | -59.8 | -107.4 | 0 | 0 | 0 | 114.1 | ||||
| 1020 | S | 29.3 | Very low | 31.2 | Very low | 109 Ų | 109 | 129 Ų | 129 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | 170.3 | 134.5 | 122.8 | -77.6 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 1021 | R | 29.6 | Very low | 31.4 | Very low | 219 Ų | 219 | 131.8 Ų | 131.8 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | cis | 81.7 | 132.6 | 45.7 | -170 | -169.9 | -156.9 | -150 | 6.9 | 112.3 | ||||
| 1022 | A | 26.4 | Very low | 31.4 | Very low | 75 Ų | 75 | 129.8 Ų | 129.8 | 62% | 0.62 | 76% | 0.757 | S | S | * | * | cis | -173.4 | 173.3 | -23.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 1023 | M | 29.6 | Very low | 32.9 | Very low | 155 Ų | 155 | 129.9 Ų | 129.9 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | 167.5 | 159.9 | 118.3 | -85.3 | -48.3 | -179.1 | 0 | 0 | 114.9 | |||||
| 1024 | T | 29.6 | Very low | 31.9 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | trans | -130.8 | -150.1 | 178.6 | 55.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1025 | P | 54.1 | Low | 31.9 | Very low | 106 Ų | 106 | 135 Ų | 135 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | cis | -120.6 | -137.7 | -20.1 | 28.9 | -2.5 | 0 | 0 | 0 | 109.3 | ||||
| 1026 | D | 31.9 | Very low | 31.8 | Very low | 145 Ų | 145 | 132.9 Ų | 132.9 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | cis | -163.3 | 171 | -2.3 | -143.1 | -47.2 | 0 | 0 | 0 | 110.3 | ||||
| 1027 | S | 25.6 | Very low | 31.8 | Very low | 106 Ų | 106 | 133 Ų | 133 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | trans | 175.7 | 143.3 | 135.5 | -164.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1028 | C | 29.8 | Very low | 31.8 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 86% | 0.858 | 78% | 0.775 | S | S | * | * | trans | -45.9 | 168.8 | -177.1 | -49.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1029 | G | 28.5 | Very low | 32.9 | Very low | 72 Ų | 72 | 132.6 Ų | 132.6 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | cis | 169 | -169.1 | 7.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1030 | S | 31.7 | Very low | 32.7 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | cis | 178.7 | 150.2 | -17.6 | 50.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1031 | V | 29.2 | Very low | 32.5 | Very low | 142 Ų | 142 | 131.8 Ų | 131.8 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | trans | 77.1 | 159.4 | 165.7 | -177.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1032 | T | 32 | Very low | 32.5 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 77% | 0.767 | 76% | 0.755 | S | S | * | * | trans | -123.7 | -154.7 | -163.5 | 51.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1033 | P | 56.3 | Low | 32.5 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | cis | -146.4 | -178.9 | -0.2 | 46.5 | -26.4 | 0 | 0 | 0 | 119.7 | ||||
| 1034 | D | 29.1 | Very low | 32.4 | Very low | 147 Ų | 147 | 128 Ų | 128 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | 60.9 | 134.3 | 141.5 | -163.7 | 29.1 | 0 | 0 | 0 | 123.4 | A1036 | D1034-A1036 PolarHBondContact OD1-N 3.13Å; D1034-A1036 VanDerWaalsContact OD1-N 3.1Å | ||
| 1035 | R | 29.1 | Very low | 32.3 | Very low | 235 Ų | 235 | 127.4 Ų | 127.4 | 89% | 0.887 | 76% | 0.758 | S | S | * | * | -163.3 | 104.8 | 118.7 | -162.1 | 160.6 | -163.7 | 166.5 | 6.5 | 116 | |||||
| 1036 | A | 28.4 | Very low | 31.1 | Very low | 76 Ų | 76 | 128.1 Ų | 128.1 | 63% | 0.628 | 76% | 0.761 | S | S | * | * | trans | 69.7 | 167.4 | 143.7 | 0 | 0 | 0 | 0 | 0 | 122.4 | D1034 | D1034-A1036 PolarHBondContact OD1-N 3.13Å; D1034-A1036 VanDerWaalsContact OD1-N 3.1Å | ||
| 1037 | M | 30.9 | Very low | 30.9 | Very low | 174 Ų | 174 | 127.8 Ų | 127.8 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | trans | -149 | 146.6 | -170.5 | -87.7 | -81.3 | 167.6 | 0 | 0 | 112.7 | ||||
| 1038 | S | 31.2 | Very low | 31.1 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | 65.4 | 177.8 | 160.6 | -56 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1039 | P | 49.2 | Very low | 31 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 69% | 0.688 | 77% | 0.766 | S | S | * | * | cis | -142.7 | 175.3 | 3.6 | 44.5 | -26 | 0 | 0 | 0 | 119.1 | ||||
| 1040 | I | 25.6 | Very low | 31 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | 78.1 | 116.6 | 138.6 | -81.1 | 163.1 | 0 | 0 | 0 | 123.4 | ||||
| 1041 | Q | 25.3 | Very low | 30.7 | Very low | 164 Ų | 164 | 129.7 Ų | 129.7 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | trans | 64 | 163.6 | 135.9 | -66.5 | -176.5 | -22 | 0 | 0 | 121.5 | ||||
| 1042 | I | 28.3 | Very low | 30.5 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 68% | 0.677 | 75% | 0.754 | S | S | * | * | cis | -153.7 | 152.3 | 3.9 | -131.2 | 161.1 | 0 | 0 | 0 | 114.5 | ||||
| 1043 | V | 26.7 | Very low | 30.2 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 68% | 0.679 | 75% | 0.749 | S | S | * | * | trans | 43.5 | 120.5 | 155.9 | 175.1 | 0 | 0 | 0 | 0 | 122.9 | V1045 | V1043-V1045 HydrophobicContact CG1-CG2 3.86Š| ||
| 1044 | S | 27.1 | Very low | 28.8 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 87% | 0.874 | 76% | 0.756 | S | S | * | * | -165.7 | 169.4 | 129.7 | -78.9 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1045 | V | 28.3 | Very low | 28.8 | Very low | 111 Ų | 111 | 130 Ų | 130 | 67% | 0.673 | 76% | 0.755 | S | S | * | * | -155.5 | 127 | -96 | 126.8 | 0 | 0 | 0 | 0 | 113.5 | V1043 | V1043-V1045 HydrophobicContact CG1-CG2 3.86Š| |||
| 1046 | T | 29.2 | Very low | 29 | Very low | 121 Ų | 121 | 122.3 Ų | 122.3 | 74% | 0.742 | 74% | 0.741 | S | S | * | * | trans | 58.5 | 157.6 | 161.4 | 60.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1047 | T | 28.1 | Very low | 29.1 | Very low | 138 Ų | 138 | 126.6 Ų | 126.6 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | cis | -166.6 | 166.1 | -14.2 | 21.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1048 | G | 28.1 | Very low | 29.8 | Very low | 79 Ų | 79 | 123.5 Ų | 123.5 | 81% | 0.814 | 74% | 0.741 | S | S | * | * | trans | 142.3 | 153.8 | 146.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1049 | A | 29 | Very low | 29.9 | Very low | 98 Ų | 98 | 123.8 Ų | 123.8 | 81% | 0.81 | 74% | 0.738 | S | S | * | * | trans | -149.2 | 164.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1050 | Q | 27.4 | Very low | 29.2 | Very low | 168 Ų | 168 | 127.2 Ų | 127.2 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | 75.5 | 149.5 | 164.2 | -94.6 | -171.3 | -99.6 | 0 | 0 | 121.3 | ||||
| 1051 | D | 26.4 | Very low | 29.6 | Very low | 112 Ų | 112 | 126 Ų | 126 | 60% | 0.599 | 74% | 0.744 | S | S | * | * | trans | 76.4 | 114.3 | 147.1 | -64.4 | 7.6 | 0 | 0 | 0 | 123.8 | ||||
| 1052 | H | 25.5 | Very low | 29.8 | Very low | 162 Ų | 162 | 125.8 Ų | 125.8 | 75% | 0.75 | 75% | 0.746 | S | S | * | * | 63.5 | 111.3 | 125 | -72.6 | -58.9 | 0 | 0 | 0 | 123.8 | |||||
| 1053 | S | 24.1 | Very low | 29.9 | Very low | 96 Ų | 96 | 122.8 Ų | 122.8 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | 83.7 | 164.8 | 115.8 | -58.6 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1054 | L | 28.1 | Very low | 30.1 | Very low | 163 Ų | 163 | 120.8 Ų | 120.8 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | trans | 82 | 126.6 | 174.8 | -49.9 | 179 | 0 | 0 | 0 | 114.9 | ||||
| 1055 | S | 28.5 | Very low | 30.4 | Very low | 111 Ų | 111 | 124 Ų | 124 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | cis | 77 | 145.7 | 32 | -149.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1056 | A | 33.8 | Very low | 30.4 | Very low | 72 Ų | 72 | 122.9 Ų | 122.9 | 60% | 0.595 | 75% | 0.753 | S | S | * | * | cis | -136.7 | -153.7 | 4.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1057 | E | 31 | Very low | 30.3 | Very low | 166 Ų | 166 | 123 Ų | 123 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | cis | -170.7 | -179 | -4.8 | -129.7 | 145 | -118.5 | 0 | 0 | 106.4 | V1059 | E1057-V1059 HydrophobicContact CG-CG2 4.14Š| ||
| 1058 | P | 45.7 | Very low | 30.1 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | cis | -115.8 | 164.3 | -21.1 | 19.5 | 4.3 | 0 | 0 | 0 | 112.7 | ||||
| 1059 | V | 32.5 | Very low | 30.2 | Very low | 119 Ų | 119 | 133 Ų | 133 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | 63.4 | 130.2 | 58.5 | -135.6 | 0 | 0 | 0 | 0 | 111.6 | E1057 | E1057-V1059 HydrophobicContact CG-CG2 4.14Š| |||
| 1060 | E | 34.8 | Very low | 30.2 | Very low | 178 Ų | 178 | 134.6 Ų | 134.6 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | cis | -154.6 | -179.9 | 48.7 | -81.7 | -169.1 | 87.4 | 0 | 0 | 111.4 | ||||
| 1061 | V | 34.7 | Very low | 30.5 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 67% | 0.667 | 76% | 0.756 | S | S | * | * | cis | -176.3 | 153 | -19.9 | 147.1 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 1062 | I | 28 | Very low | 31.3 | Very low | 159 Ų | 159 | 132 Ų | 132 | 82% | 0.815 | 76% | 0.757 | S | S | * | * | cis | -144.2 | 172.6 | 11.9 | -142 | 159.3 | 0 | 0 | 0 | 107.5 | ||||
| 1063 | G | 30.3 | Very low | 31.3 | Very low | 70 Ų | 70 | 131 Ų | 131 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | cis | 122.7 | 100.6 | -6.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1064 | G | 32.4 | Very low | 31.6 | Very low | 69 Ų | 69 | 135 Ų | 135 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | trans | 172.2 | 105.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1065 | H | 31.9 | Very low | 31.6 | Very low | 194 Ų | 194 | 134 Ų | 134 | 90% | 0.898 | 75% | 0.745 | S | S | * | * | trans | 58.4 | 118.1 | 146 | -64 | -75 | 0 | 0 | 0 | 125.7 | ||||
| 1066 | A | 30.1 | Very low | 31.4 | Very low | 86 Ų | 86 | 133.4 Ų | 133.4 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | 84.5 | 114 | 118.3 | 0 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 1067 | V | 26.5 | Very low | 30.8 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 75% | 0.745 | 74% | 0.741 | S | S | * | * | 45.2 | 118.5 | 129 | -165.3 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1068 | F | 24.1 | Very low | 30.5 | Very low | 198 Ų | 198 | 137.2 Ų | 137.2 | 87% | 0.868 | 75% | 0.746 | S | S | * | * | -173.8 | 166.9 | 112.4 | -116.4 | -84 | 0 | 0 | 0 | 114.2 | |||||
| 1069 | R | 28.6 | Very low | 29.6 | Very low | 229 Ų | 229 | 137.9 Ų | 137.9 | 86% | 0.864 | 74% | 0.739 | S | S | * | * | trans | -89.1 | 166.1 | 164.2 | -61.3 | -179.2 | 179.9 | -171.5 | 0.8 | 110.4 | ||||
| 1070 | V | 29.4 | Very low | 29.2 | Very low | 133 Ų | 133 | 137.3 Ų | 137.3 | 81% | 0.806 | 74% | 0.736 | S | S | * | * | 171.1 | 133.9 | 114.9 | 152.4 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1071 | T | 34.5 | Very low | 28.6 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | trans | -98 | 159.9 | 167 | -28.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1072 | P | 43 | Very low | 28.1 | Very low | 97 Ų | 97 | 133.7 Ų | 133.7 | 63% | 0.63 | 72% | 0.72 | S | S | * | * | -146.6 | 149.4 | 120.8 | 37.1 | -23 | 0 | 0 | 0 | 115.9 | |||||
| 1073 | E | 25.1 | Very low | 28 | Very low | 143 Ų | 143 | 130.4 Ų | 130.4 | 67% | 0.668 | 71% | 0.711 | S | S | * | * | trans | 57.7 | 150.2 | 136.8 | -65.5 | 179.8 | 108.3 | 0 | 0 | 120.5 | ||||
| 1074 | R | 30.3 | Very low | 27.8 | Very low | 179 Ų | 179 | 132.4 Ų | 132.4 | 68% | 0.675 | 71% | 0.705 | S | S | * | * | cis | -156.2 | 166.1 | 5.6 | -130.8 | 171.7 | -151.3 | -116.6 | 3.8 | 112.4 | ||||
| 1075 | Q | 27.7 | Very low | 27.5 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 67% | 0.668 | 70% | 0.701 | S | S | * | * | trans | 17.1 | 155.7 | 137.5 | -76.3 | 171.8 | -36 | 0 | 0 | 121.9 | ||||
| 1076 | S | 24.9 | Very low | 27.5 | Very low | 97 Ų | 97 | 128.3 Ų | 128.3 | 68% | 0.678 | 69% | 0.687 | S | S | * | * | cis | 170.1 | 156.9 | -19.2 | 52.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1077 | S | 21.8 | Very low | 27.3 | Very low | 89 Ų | 89 | 126.8 Ų | 126.8 | 62% | 0.622 | 68% | 0.68 | S | S | * | * | cis | -176.8 | 164.2 | -30.1 | 53.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 1078 | W | 24.9 | Very low | 27.4 | Very low | 229 Ų | 229 | 124.3 Ų | 124.3 | 87% | 0.867 | 67% | 0.668 | S | S | * | * | trans | 67.4 | 169.1 | -179.5 | -50.3 | 99.5 | 0 | 0 | 0 | 114.7 | ||||
| 1079 | Q | 25.2 | Very low | 27.5 | Very low | 123 Ų | 123 | 122.1 Ų | 122.1 | 58% | 0.575 | 67% | 0.665 | S | S | * | * | cis | -161.9 | 150.7 | 2.4 | -144.5 | 179.6 | 2.4 | 0 | 0 | 111.2 | ||||
| 1080 | V | 24.6 | Very low | 27.5 | Very low | 108 Ų | 108 | 116.7 Ų | 116.7 | 66% | 0.655 | 66% | 0.658 | S | S | * | * | trans | 62.3 | 151.2 | 142.5 | 147.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1081 | Q | 23.6 | Very low | 27.4 | Very low | 140 Ų | 140 | 116.6 Ų | 116.6 | 65% | 0.654 | 65% | 0.651 | S | S | * | * | cis | -170.9 | 168.3 | -20.6 | -178 | 170.7 | -35.5 | 0 | 0 | 108 | K457 | K457-Q1081 PolarHBondContact NZ-O 3.28Š| ||
| 1082 | S | 24.1 | Very low | 27 | Very low | 72 Ų | 72 | 117.1 Ų | 117.1 | 50% | 0.503 | 66% | 0.655 | S | S | . | * | trans | 65.8 | 135.3 | 166.1 | 14.9 | 0 | 0 | 0 | 0 | 116.8 | K457 | K457-S1082 PolarHBondContact NZ-O 3.44Š| ||
| 1083 | S | 25.1 | Very low | 26.7 | Very low | 90 Ų | 90 | 117.7 Ų | 117.7 | 63% | 0.629 | 66% | 0.656 | S | S | * | * | 72.8 | 138.8 | 53.6 | -52.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1084 | N | 25.7 | Very low | 27.1 | Very low | 112 Ų | 112 | 118.9 Ų | 118.9 | 60% | 0.599 | 66% | 0.662 | S | S | * | * | cis | -156.2 | 133.6 | 13.5 | -134.2 | 4.7 | 0 | 0 | 0 | 118.2 | E461 | E461-N1084 PolarHBondContact OE1-N 3.49Å; E461-N1084 VanDerWaalsContact OE1-N 3.07Å | ||
| 1085 | S | 27.2 | Very low | 27.6 | Very low | 89 Ų | 89 | 117.2 Ų | 117.2 | 62% | 0.622 | 67% | 0.666 | S | S | * | * | trans | 74.1 | 162.2 | 142.4 | 87.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1086 | S | 30.3 | Very low | 28.5 | Very low | 87 Ų | 87 | 115.7 Ų | 115.7 | 61% | 0.608 | 66% | 0.663 | S | S | * | * | trans | 63.8 | 124.8 | 149.2 | -49.2 | 0 | 0 | 0 | 0 | 118.7 | S464 | S464-S1086 PolarHBondContact OG-O 3.46Š| ||
| 1087 | G | 27.2 | Very low | 29.2 | Very low | 54 Ų | 54 | 120.2 Ų | 120.2 | 56% | 0.557 | 67% | 0.67 | S | S | * | * | cis | -164.8 | -173.3 | -2.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1088 | S | 27.5 | Very low | 30.3 | Very low | 71 Ų | 71 | 121.9 Ų | 121.9 | 50% | 0.497 | 67% | 0.671 | S | S | . | * | cis | -164.7 | 147.7 | 17.7 | 55.3 | 0 | 0 | 0 | 0 | 110.7 | K471 | K471-S1088 PolarHBondContact NZ-OG 2.92Å; K471-S1088 VanDerWaalsContact NZ-OG 3.14Å | ||
| 1089 | N | 27.1 | Very low | 30.9 | Very low | 152 Ų | 152 | 118.7 Ų | 118.7 | 81% | 0.813 | 67% | 0.665 | S | S | * | * | 38.4 | 137.3 | 129.1 | -59.6 | 4 | 0 | 0 | 0 | 118.9 | |||||
| 1090 | V | 27.3 | Very low | 31.5 | Very low | 116 Ų | 116 | 118.3 Ų | 118.3 | 70% | 0.703 | 67% | 0.666 | S | S | * | * | cis | -173.3 | 166.5 | 22.3 | 89.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1091 | I | 27.6 | Very low | 31.9 | Very low | 130 Ų | 130 | 120.7 Ų | 120.7 | 67% | 0.667 | 67% | 0.67 | S | S | * | * | trans | 57.6 | 130.4 | 158.5 | -65.8 | 167.4 | 0 | 0 | 0 | 119.9 | T1093 | I1091-T1093 VanDerWaalsContact CG2-N 3.31Š| ||
| 1092 | T | 27.1 | Very low | 32.5 | Very low | 139 Ų | 139 | 121.1 Ų | 121.1 | 85% | 0.853 | 68% | 0.675 | S | S | * | * | trans | -123.5 | 106.7 | 139.8 | 49.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 1093 | T | 36.9 | Very low | 32.7 | Very low | 109 Ų | 109 | 119.7 Ų | 119.7 | 67% | 0.669 | 67% | 0.672 | S | S | * | * | -145 | 128.4 | 128.8 | 49.9 | 0 | 0 | 0 | 0 | 104.9 | I1091 | I1091-T1093 VanDerWaalsContact CG2-N 3.31Š| |||
| 1094 | E | 33.8 | Very low | 32.7 | Very low | 168 Ų | 168 | 122.8 Ų | 122.8 | 79% | 0.785 | 68% | 0.682 | S | S | * | * | cis | -153.9 | 158.4 | -5.6 | 52.5 | -127.3 | 130 | 0 | 0 | 110.3 | ||||
| 1095 | D | 39.2 | Very low | 34.2 | Very low | 143 Ų | 143 | 121.5 Ų | 121.5 | 77% | 0.765 | 68% | 0.679 | S | S | * | * | trans | 5.3 | 138.4 | 159.7 | -82.7 | 34.2 | 0 | 0 | 0 | 120.1 | ||||
| 1096 | N | 47.1 | Very low | 34.4 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 60% | 0.599 | 69% | 0.688 | S | S | * | * | cis | -170.1 | 148.6 | 0.5 | -130.6 | -46.2 | 0 | 0 | 0 | 105.6 | ||||
| 1097 | K | 40.8 | Very low | 34.4 | Very low | 192 Ų | 192 | 127.8 Ų | 127.8 | 84% | 0.835 | 69% | 0.69 | S | S | * | * | cis | -149.2 | 172.6 | 37.7 | -67.7 | -173.5 | 173.6 | -178.3 | 0 | 113.5 | ||||
| 1098 | I | 44.4 | Very low | 34.4 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 63% | 0.631 | 70% | 0.702 | S | S | * | * | trans | -111.6 | 162.5 | -171 | -53.2 | 153.9 | 0 | 0 | 0 | 110.6 | I1100 | I1098-I1100 HydrophobicContact CG2-CD1 3.87Å; I1098-I1100 HydrophobicContact CG2-CG1 4.19Å | ||
| 1099 | H | 36 | Very low | 34.2 | Very low | 162 Ų | 162 | 134.2 Ų | 134.2 | 75% | 0.75 | 71% | 0.712 | S | S | * | * | trans | 164.4 | 126.5 | 130.9 | -84.3 | -70.5 | 0 | 0 | 0 | 109.6 | ||||
| 1100 | I | 38 | Very low | 34.2 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 59% | 0.59 | 71% | 0.712 | S | S | * | * | 69.1 | 125.8 | 56.4 | -64.8 | 171.9 | 0 | 0 | 0 | 110.1 | I1098 | I1098-I1100 HydrophobicContact CG2-CD1 3.87Å; I1098-I1100 HydrophobicContact CG2-CG1 4.19Å | |||
| 1101 | H | 34.7 | Very low | 34.1 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 74% | 0.736 | 71% | 0.713 | S | S | * | * | cis | -167.1 | -173.1 | -4.7 | -108.7 | -6.7 | 0 | 0 | 0 | 108 | ||||
| 1102 | L | 35.7 | Very low | 34.1 | Very low | 148 Ų | 148 | 132.7 Ų | 132.7 | 78% | 0.775 | 72% | 0.719 | S | S | * | * | cis | -161.1 | -178.8 | 5 | -131 | 171.7 | 0 | 0 | 0 | 109.7 | ||||
| 1103 | G | 27 | Very low | 35 | Very low | 42 Ų | 42 | 131.7 Ų | 131.7 | 43% | 0.433 | 72% | 0.715 | S | S | . | * | trans | 108.3 | 110.3 | 141.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | K294 | K294-G1103 PolarHBondContact NZ-O 2.64Š| ||
| 1104 | N | 26.1 | Very low | 34.5 | Very low | 155 Ų | 155 | 132 Ų | 132 | 83% | 0.829 | 72% | 0.721 | S | S | * | * | trans | -90.5 | -163.4 | 168.4 | -147.6 | 12.4 | 0 | 0 | 0 | 109 | ||||
| 1105 | P | 57.6 | Low | 34.3 | Very low | 85 Ų | 85 | 132.7 Ų | 132.7 | 55% | 0.552 | 72% | 0.724 | S | S | * | * | cis | -146.9 | -168.8 | -12 | 45.9 | -26.7 | 0 | 0 | 0 | 117.8 | ||||
| 1106 | F | 31.5 | Very low | 33.8 | Very low | 181 Ų | 181 | 132.4 Ų | 132.4 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | trans | 80 | 109.8 | 148 | -93.2 | -92.8 | 0 | 0 | 0 | 124.5 | ||||
| 1107 | I | 29.1 | Very low | 33.6 | Very low | 128 Ų | 128 | 133 Ų | 133 | 66% | 0.656 | 74% | 0.738 | S | S | * | * | 72 | 152.3 | 125.8 | -75.1 | -165.3 | 0 | 0 | 0 | 125.6 | |||||
| 1108 | Q | 27.7 | Very low | 33 | Very low | 173 Ų | 173 | 127.3 Ų | 127.3 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | trans | 68.8 | 132.7 | 170.8 | -86.9 | 156.8 | -66.3 | 0 | 0 | 117.4 | ||||
| 1109 | A | 24.6 | Very low | 32.3 | Very low | 87 Ų | 87 | 129.4 Ų | 129.4 | 72% | 0.719 | 75% | 0.745 | S | S | * | * | cis | 97.1 | 153.7 | 17.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1110 | V | 25.6 | Very low | 32 | Very low | 133 Ų | 133 | 128.7 Ų | 128.7 | 81% | 0.806 | 74% | 0.742 | S | S | * | * | trans | 76.4 | 106.4 | -169.8 | -169.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1111 | S | 25.3 | Very low | 31.5 | Very low | 103 Ų | 103 | 130 Ų | 130 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | 90.5 | 116.6 | 60.2 | -62 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1112 | T | 28.1 | Very low | 31.4 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 80% | 0.798 | 74% | 0.744 | S | S | * | * | trans | 11.7 | 147.6 | 142.5 | 56.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1113 | P | 45.5 | Very low | 31.2 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | cis | -158.4 | 154.3 | 47.5 | 41.5 | -19.3 | 0 | 0 | 0 | 121.8 | ||||
| 1114 | S | 27.7 | Very low | 31.5 | Very low | 114 Ų | 114 | 136 Ų | 136 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | trans | 65.4 | 166 | 132.7 | -147.2 | 0 | 0 | 0 | 0 | 125 | ||||
| 1115 | Q | 28.9 | Very low | 31.8 | Very low | 183 Ų | 183 | 135.8 Ų | 135.8 | 86% | 0.855 | 75% | 0.75 | S | S | * | * | trans | 81.4 | 99.6 | 161.1 | -79.5 | 174.1 | -9.3 | 0 | 0 | 123.4 | ||||
| 1116 | V | 27.8 | Very low | 30.5 | Very low | 138 Ų | 138 | 138.1 Ų | 138.1 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | trans | -75.3 | 179 | 144.8 | -98.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1117 | P | 43.4 | Very low | 30.6 | Very low | 125 Ų | 125 | 137 Ų | 137 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | cis | -145.3 | 174.3 | 18 | 42.2 | -22.1 | 0 | 0 | 0 | 120.1 | ||||
| 1118 | G | 28.1 | Very low | 30.7 | Very low | 71 Ų | 71 | 134.1 Ų | 134.1 | 73% | 0.732 | 75% | 0.752 | S | S | * | * | trans | 95 | 151.4 | 150.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1119 | L | 30.1 | Very low | 30.8 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 88% | 0.88 | 75% | 0.754 | S | S | * | * | cis | -148.9 | 170.1 | -10.2 | -139.8 | 78.3 | 0 | 0 | 0 | 105.7 | ||||
| 1120 | Q | 29.1 | Very low | 30.9 | Very low | 146 Ų | 146 | 134.6 Ų | 134.6 | 68% | 0.682 | 76% | 0.756 | S | S | * | * | -179.9 | 135.1 | 53.1 | -176.1 | 175.2 | -21.6 | 0 | 0 | 110.4 | |||||
| 1121 | E | 28.4 | Very low | 31 | Very low | 142 Ų | 142 | 133 Ų | 133 | 66% | 0.664 | 75% | 0.751 | S | S | * | * | trans | 56.6 | 156.4 | 149.5 | -67 | -175.3 | 131.2 | 0 | 0 | 123.1 | ||||
| 1122 | Q | 32.9 | Very low | 31.1 | Very low | 154 Ų | 154 | 134.3 Ų | 134.3 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | cis | -171 | 156.1 | -21.2 | 175.3 | -178.2 | 103.3 | 0 | 0 | 110.2 | ||||
| 1123 | R | 30.6 | Very low | 32 | Very low | 225 Ų | 225 | 133.7 Ų | 133.7 | 85% | 0.849 | 75% | 0.753 | S | S | * | * | trans | 130.8 | 94.9 | 150.5 | -156.8 | 168.9 | -164.9 | 141.5 | 5.7 | 111.5 | ||||
| 1124 | T | 33.2 | Very low | 31.3 | Very low | 97 Ų | 97 | 132.8 Ų | 132.8 | 60% | 0.595 | 76% | 0.755 | S | S | * | * | 93 | 129.8 | 69.9 | -80 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 1125 | Q | 33.8 | Very low | 31.5 | Very low | 151 Ų | 151 | 131.4 Ų | 131.4 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | cis | -169.3 | 168.3 | 4.1 | -118.8 | 174.9 | 1 | 0 | 0 | 113.1 | ||||
| 1126 | I | 29.2 | Very low | 31.7 | Very low | 134 Ų | 134 | 132.9 Ų | 132.9 | 69% | 0.687 | 75% | 0.754 | S | S | * | * | trans | 71 | 154.1 | 145.2 | -78.8 | 166.7 | 0 | 0 | 0 | 119 | ||||
| 1127 | I | 33.7 | Very low | 32 | Very low | 157 Ų | 157 | 129.4 Ų | 129.4 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | cis | -168.8 | 171.4 | -42.4 | -143.2 | 156.4 | 0 | 0 | 0 | 108.5 | ||||
| 1128 | A | 31.5 | Very low | 31.6 | Very low | 68 Ų | 68 | 132 Ų | 132 | 56% | 0.562 | 75% | 0.751 | S | S | * | * | -161.4 | 170.1 | -71.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1129 | N | 29.9 | Very low | 31.8 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | trans | 72.5 | 157.8 | 143 | -68.8 | -7.1 | 0 | 0 | 0 | 124.7 | ||||
| 1130 | C | 26.4 | Very low | 32.2 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | trans | 95.3 | 95.5 | 152.5 | -69.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1131 | S | 27.2 | Very low | 32.6 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | 78.5 | 100.9 | 118 | -52.2 | 0 | 0 | 0 | 0 | 123 | |||||
| 1132 | T | 28.6 | Very low | 32.8 | Very low | 130 Ų | 130 | 134 Ų | 134 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | 32.2 | 157.3 | 115.8 | 61.9 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1133 | P | 46.3 | Very low | 32.7 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | cis | -143.7 | -171.9 | 15.8 | 42.3 | -22.2 | 0 | 0 | 0 | 117.5 | ||||
| 1134 | A | 29.6 | Very low | 32.8 | Very low | 99 Ų | 99 | 126.6 Ų | 126.6 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | 70.2 | 157.7 | 148.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1135 | A | 32.5 | Very low | 32.8 | Very low | 84 Ų | 84 | 129.8 Ų | 129.8 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | cis | -169.2 | 144.2 | -27.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1136 | K | 34.3 | Very low | 32.7 | Very low | 215 Ų | 215 | 131.3 Ų | 131.3 | 94% | 0.935 | 78% | 0.777 | S | S | * | * | 164.8 | 153.3 | 111.1 | -81.9 | 166.1 | -173.1 | 176.8 | 0 | 108.8 | |||||
| 1137 | G | 32.9 | Very low | 32.7 | Very low | 65 Ų | 65 | 132.3 Ų | 132.3 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | cis | 145.3 | 151.4 | -5.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1138 | I | 34.3 | Very low | 32.6 | Very low | 178 Ų | 178 | 134.1 Ų | 134.1 | 91% | 0.913 | 78% | 0.784 | S | S | * | * | trans | 72.2 | 138.3 | -178.2 | -53.1 | 172 | 0 | 0 | 0 | 112.6 | ||||
| 1139 | S | 32.6 | Very low | 33.3 | Very low | 97 Ų | 97 | 136.3 Ų | 136.3 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | cis | -151.6 | 168.1 | -18.5 | 53.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1140 | K | 39.2 | Very low | 33.2 | Very low | 199 Ų | 199 | 136.1 Ų | 136.1 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | cis | 88.2 | 113.9 | 12.9 | -71.1 | -165.5 | 173.9 | -173.4 | 0 | 118.8 | ||||
| 1141 | I | 36.5 | Very low | 33.4 | Very low | 158 Ų | 158 | 135.1 Ų | 135.1 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | -162.5 | 118.9 | 126.2 | -101.8 | 155.6 | 0 | 0 | 0 | 110.1 | |||||
| 1142 | T | 34.3 | Very low | 33.9 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 72% | 0.718 | 80% | 0.798 | S | S | * | * | 38.4 | 144.4 | 129.2 | -1.9 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 1143 | S | 30.3 | Very low | 34.8 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | cis | -149 | 165.1 | 25.4 | -59.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1144 | S | 31.6 | Very low | 34 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -107.1 | 156.6 | 179.8 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1145 | I | 34.7 | Very low | 34.1 | Very low | 165 Ų | 165 | 139.3 Ų | 139.3 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -154.3 | 149.9 | 148.4 | -102.8 | 151.2 | 0 | 0 | 0 | 109.3 | ||||
| 1146 | M | 30.1 | Very low | 34.3 | Very low | 182 Ų | 182 | 144.4 Ų | 144.4 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | trans | -138.5 | 123.4 | -175.8 | 172.6 | -161.5 | -67.3 | 0 | 0 | 109.6 | ||||
| 1147 | I | 31.2 | Very low | 35 | Very low | 155 Ų | 155 | 139.8 Ų | 139.8 | 80% | 0.795 | 78% | 0.779 | S | S | * | * | trans | -147.3 | 121.2 | 170.2 | -53 | 179.8 | 0 | 0 | 0 | 111.5 | ||||
| 1148 | K | 30.8 | Very low | 35.1 | Very low | 195 Ų | 195 | 140.8 Ų | 140.8 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | -166.4 | 161.1 | 157.3 | -80.6 | -160 | 179.8 | -177.3 | 0 | 107.6 | ||||
| 1149 | P | 45.7 | Very low | 35.1 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | cis | -133.9 | 157.9 | -46 | 38.5 | -23.7 | 0 | 0 | 0 | 112.8 | ||||
| 1150 | T | 27.8 | Very low | 35 | Very low | 151 Ų | 151 | 144.2 Ų | 144.2 | 93% | 0.926 | 78% | 0.781 | S | S | * | * | trans | -148 | 155 | 171.2 | -31.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1151 | S | 31.4 | Very low | 34.9 | Very low | 94 Ų | 94 | 140 Ų | 140 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | trans | -148.8 | 146.5 | -171 | 55.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1152 | T | 36.8 | Very low | 34.7 | Very low | 134 Ų | 134 | 138.8 Ų | 138.8 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | 70.6 | 164.6 | 168.7 | 77.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1153 | P | 46.9 | Very low | 34.9 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | cis | -137.1 | 162.3 | -6.4 | 27.1 | -3.2 | 0 | 0 | 0 | 118.7 | ||||
| 1154 | I | 31 | Very low | 35.3 | Very low | 147 Ų | 147 | 139.8 Ų | 139.8 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | 70.5 | 122.9 | 136.3 | -70.2 | 170.1 | 0 | 0 | 0 | 124.9 | ||||
| 1155 | Q | 32.2 | Very low | 36 | Very low | 147 Ų | 147 | 138.7 Ų | 138.7 | 69% | 0.687 | 77% | 0.768 | S | S | * | * | trans | 53 | 171.1 | 145.3 | -65.8 | -179.8 | 3.1 | 0 | 0 | 121.2 | ||||
| 1156 | R | 36.3 | Very low | 36.4 | Very low | 192 Ų | 192 | 141.9 Ų | 141.9 | 73% | 0.725 | 77% | 0.771 | S | S | * | * | cis | -150.5 | 173.9 | 2.8 | -141 | 177.2 | -83.5 | 163.2 | -5.3 | 109 | ||||
| 1157 | P | 49.4 | Very low | 36.9 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | -127.5 | 156.5 | 61.7 | 6.3 | 20.3 | 0 | 0 | 0 | 113.8 | |||||
| 1158 | S | 33 | Very low | 37.2 | Very low | 86 Ų | 86 | 145.4 Ų | 145.4 | 60% | 0.601 | 79% | 0.787 | S | S | * | * | 81.8 | 138.6 | 61.3 | -51.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1159 | Q | 34.6 | Very low | 37.5 | Very low | 172 Ų | 172 | 142.8 Ų | 142.8 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | cis | -174.4 | 151.1 | -16.8 | -125.2 | 173.2 | -25.1 | 0 | 0 | 110 | ||||
| 1160 | I | 31.5 | Very low | 37.1 | Very low | 175 Ų | 175 | 144.3 Ų | 144.3 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -175.7 | 156.4 | 147.3 | -103.1 | 159.9 | 0 | 0 | 0 | 110.4 | ||||
| 1161 | T | 35.9 | Very low | 37.6 | Very low | 110 Ų | 110 | 143.9 Ų | 143.9 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | trans | -145.5 | 140.6 | -161.7 | -46.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1162 | V | 32.9 | Very low | 38 | Very low | 134 Ų | 134 | 147.1 Ų | 147.1 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -164 | 112.7 | 147.4 | 168.7 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 1163 | S | 39.9 | Very low | 38.1 | Very low | 85 Ų | 85 | 147.9 Ų | 147.9 | 59% | 0.594 | 78% | 0.782 | S | S | * | * | 79.8 | 97 | 60.1 | -56.8 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1164 | N | 37.3 | Very low | 37.4 | Very low | 167 Ų | 167 | 151 Ų | 151 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | -174.8 | 164.1 | 111.2 | -93.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1165 | A | 47.1 | Very low | 37.9 | Very low | 85 Ų | 85 | 151.3 Ų | 151.3 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | trans | -145.2 | -171.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1166 | Y | 43 | Very low | 38.4 | Very low | 231 Ų | 231 | 151.7 Ų | 151.7 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | trans | 76.5 | 127.6 | -160.1 | -55 | -73.9 | 0 | 0 | 0 | 111.7 | ||||
| 1167 | E | 39.8 | Very low | 38.6 | Very low | 266 Ų | 266 | 148 Ų | 148 | 100% | 1.243 | 81% | 0.808 | S | S | * | * | cis | -118.6 | 0 | 21.4 | -153.4 | 159.8 | -140.5 | 0 | 0 | 113.9 |
Retrieved 1,167 of 1,167 residues in 1324.1 ms
(Link to these results)