| 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 | 49.1 | Very low | 42.9 | Very low | 238 Ų | 238 | 153.2 Ų | 153.2 | 100% | 1.172 | 82% | 0.82 | S | S | * | * | 0 | 100.2 | 0 | -165.6 | 170.4 | 77.5 | 0 | 0 | 107.7 | |||||
| 2 | V | 38.8 | Very low | 42.3 | Very low | 156 Ų | 156 | 146.9 Ų | 146.9 | 95% | 0.945 | 82% | 0.818 | S | S | * | * | trans | -157.8 | 116.2 | 152.7 | -99.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 3 | K | 54.8 | Low | 42.1 | Very low | 189 Ų | 189 | 143.2 Ų | 143.2 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | trans | -111 | 158.8 | 179.2 | 174.1 | 170.5 | -179.4 | 162.6 | 0 | 106.4 | ||||
| 4 | L | 45 | Very low | 41.9 | Very low | 171 Ų | 171 | 147.6 Ų | 147.6 | 90% | 0.895 | 82% | 0.823 | S | S | * | * | trans | 124.1 | 122.3 | 159.7 | -67 | 157.8 | 0 | 0 | 0 | 108.6 | ||||
| 5 | G | 41.2 | Very low | 41.6 | Very low | 63 Ų | 63 | 143.7 Ų | 143.7 | 65% | 0.649 | 82% | 0.818 | S | S | * | * | cis | 151.6 | 151.8 | 7.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 6 | S | 46.3 | Very low | 41.5 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 88% | 0.881 | 82% | 0.819 | S | S | * | * | trans | 72.5 | 147.1 | 156.4 | -60.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 7 | N | 42.4 | Very low | 41.3 | Very low | 131 Ų | 131 | 140.6 Ų | 140.6 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | cis | -177.9 | 152.1 | -14.1 | -170.9 | -108 | 0 | 0 | 0 | 106.3 | ||||
| 8 | L | 41 | Very low | 41.2 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 66% | 0.66 | 81% | 0.807 | S | S | * | * | trans | 55.1 | 126.4 | 153.7 | -111.5 | 68.8 | 0 | 0 | 0 | 120.6 | ||||
| 9 | Q | 36.6 | Very low | 41 | Very low | 170 Ų | 170 | 141.1 Ų | 141.1 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | 134.1 | 151.2 | 101.4 | -100.4 | 167.9 | 96.7 | 0 | 0 | 105.5 | |||||
| 10 | D | 35.4 | Very low | 40.7 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 68% | 0.684 | 81% | 0.808 | S | S | * | * | cis | -168.4 | 145.4 | -10.7 | -174.3 | -119 | 0 | 0 | 0 | 104.7 | ||||
| 11 | K | 41.5 | Very low | 40.7 | Very low | 187 Ų | 187 | 137.5 Ų | 137.5 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | trans | 45.7 | 121.8 | 157.5 | -95.2 | 163.5 | 167.5 | 165.7 | 0 | 123.8 | ||||
| 12 | G | 36 | Very low | 40 | Very low | 78 Ų | 78 | 135 Ų | 135 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | 83.6 | 153.5 | 123 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 13 | A | 39.6 | Very low | 40.3 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | cis | -171.9 | 140 | -20.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 14 | K | 38.5 | Very low | 39.3 | Very low | 206 Ų | 206 | 135.3 Ų | 135.3 | 90% | 0.896 | 78% | 0.775 | S | S | * | * | trans | 31.8 | 140.3 | 153.5 | -86.6 | -171 | 176.1 | -174.3 | 0 | 123.5 | ||||
| 15 | A | 38.3 | Very low | 39 | Very low | 89 Ų | 89 | 133.5 Ų | 133.5 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | 173.2 | 124.5 | 112.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 16 | V | 39.6 | Very low | 39.5 | Very low | 139 Ų | 139 | 135.3 Ų | 135.3 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | 66.3 | 135.8 | 81.5 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 17 | S | 38.1 | Very low | 39.6 | Very low | 95 Ų | 95 | 136.3 Ų | 136.3 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | cis | 172.8 | 173.8 | -3.4 | -179.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 18 | V | 40.2 | Very low | 40 | Very low | 126 Ų | 126 | 137 Ų | 137 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | 71.7 | 147.1 | 155 | 179.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 19 | E | 36.8 | Very low | 40.3 | Very low | 165 Ų | 165 | 137 Ų | 137 | 77% | 0.771 | 77% | 0.773 | S | S | * | * | cis | -174.2 | 159.3 | -20.2 | -106.8 | -142.3 | 101.2 | 0 | 0 | 104.7 | ||||
| 20 | D | 35.9 | Very low | 40.8 | Very low | 161 Ų | 161 | 134.1 Ų | 134.1 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | -152.4 | 129.8 | 156.4 | -165.2 | -171.1 | 0 | 0 | 0 | 105.8 | ||||
| 21 | G | 39.9 | Very low | 41.6 | Very low | 46 Ų | 46 | 134.7 Ų | 134.7 | 47% | 0.474 | 77% | 0.771 | S | S | . | * | cis | 140.1 | 79.9 | 12.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 22 | F | 35.3 | Very low | 42.1 | Very low | 184 Ų | 184 | 132.3 Ų | 132.3 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | trans | 50.3 | 120.4 | 147.5 | -71 | -95.4 | 0 | 0 | 0 | 122.7 | ||||
| 23 | Q | 43.2 | Very low | 42.8 | Very low | 186 Ų | 186 | 135.4 Ų | 135.4 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | 174.9 | 100.3 | 114.6 | -94.2 | 155.9 | 55.1 | 0 | 0 | 114.6 | |||||
| 24 | N | 34.8 | Very low | 43.6 | Very low | 167 Ų | 167 | 132.7 Ų | 132.7 | 89% | 0.893 | 75% | 0.752 | S | S | * | * | 175.8 | 111.6 | 129.5 | -122.3 | -66.3 | 0 | 0 | 0 | 111.3 | |||||
| 25 | V | 38.8 | Very low | 44.1 | Very low | 132 Ų | 132 | 127 Ų | 127 | 80% | 0.8 | 74% | 0.739 | S | S | * | * | trans | -151.3 | 152 | 176.2 | 175 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 26 | P | 51.3 | Low | 44.4 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 66% | 0.662 | 74% | 0.744 | S | S | * | * | cis | -130 | 164.7 | 13.3 | 16.5 | 11.2 | 0 | 0 | 0 | 114 | ||||
| 27 | L | 49 | Very low | 45 | Very low | 146 Ų | 146 | 131.5 Ų | 131.5 | 76% | 0.764 | 74% | 0.739 | S | S | * | * | S | Bend | -163.6 | 124.1 | 80.7 | -102.2 | 86.3 | 0 | 0 | 0 | 109.8 | |||
| 28 | I | 51.4 | Low | 45.2 | Very low | 145 Ų | 145 | 132 Ų | 132 | 74% | 0.744 | 74% | 0.743 | S | S | * | * | trans | 77.4 | 81.4 | 159.2 | -46.5 | 154 | 0 | 0 | 0 | 114.8 | ||||
| 29 | T | 47.2 | Very low | 45.2 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | 37.3 | 147.6 | 92.1 | 48 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 30 | P | 46.8 | Very low | 45.7 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 71% | 0.714 | 74% | 0.74 | S | S | * | * | cis | -138.6 | 163.2 | -29.5 | 35.9 | -17.3 | 0 | 0 | 0 | 115.6 | ||||
| 31 | L | 51.2 | Low | 46.5 | Very low | 140 Ų | 140 | 128.3 Ų | 128.3 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | trans | 79.6 | 91.8 | 148.6 | -103.8 | 73.3 | 0 | 0 | 0 | 121.3 | ||||
| 32 | D | 51.4 | Low | 46.6 | Very low | 137 Ų | 137 | 131.8 Ų | 131.8 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | trans | -41.5 | 148.5 | 151.2 | -177 | 45 | 0 | 0 | 0 | 114.5 | G34 | D32-G34 PolarHBondContact O-N 3.35Š| ||
| 33 | V | 51.3 | Low | 47.1 | Very low | 142 Ų | 142 | 130.8 Ų | 130.8 | 86% | 0.861 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 23.1 | -163.3 | -79.4 | 0 | 0 | 0 | 0 | 116 | ||
| 34 | G | 56 | Low | 47.3 | Very low | 42 Ų | 42 | 127.8 Ų | 127.8 | 43% | 0.433 | 73% | 0.733 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.1 | -9.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | D32 Q37 | D32-G34 PolarHBondContact O-N 3.35Å; G34-Q37 WeakPolarHBondContact O-CB 2.91Å; G34-Q37 PolarHBondContact O-N 3.19Å |
| 35 | S | 50 | Low | 48.3 | Very low | 87 Ų | 87 | 126.5 Ų | 126.5 | 61% | 0.608 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 7.5 | -170.9 | 54.6 | 0 | 0 | 0 | 0 | 116.3 | ||
| 36 | L | 45.2 | Very low | 48.4 | Very low | 160 Ų | 160 | 125.6 Ų | 125.6 | 84% | 0.838 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | 4.3 | 159.9 | -86.7 | 166.2 | 0 | 0 | 0 | 112.8 | S38 | L36-S38 PolarHBondContact O-N 3.02Š|
| 37 | Q | 51.6 | Low | 48.6 | Very low | 162 Ų | 162 | 130 Ų | 130 | 76% | 0.757 | 73% | 0.734 | S | S | * | * | trans | -74.4 | 71.7 | 163.8 | -162.1 | 170 | 32.4 | 0 | 0 | 108.1 | G34 Q39 | G34-Q37 WeakPolarHBondContact O-CB 2.91Å; G34-Q37 PolarHBondContact O-N 3.19Å; Q37-Q39 PolarHBondContact O-N 3.49Å | ||
| 38 | S | 41.4 | Very low | 49 | Very low | 106 Ų | 106 | 129.4 Ų | 129.4 | 74% | 0.741 | 74% | 0.737 | S | S | * | * | trans | -65.8 | 79.6 | 168 | -47.7 | 0 | 0 | 0 | 0 | 107.8 | L36 A40 | L36-S38 PolarHBondContact O-N 3.02Å; S38-A40 PolarHBondContact O-N 3.32Å | ||
| 39 | Q | 40.3 | Very low | 49.2 | Very low | 176 Ų | 176 | 133 Ų | 133 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | trans | -56.5 | 103.9 | 163.3 | -175.1 | 174.9 | -27.5 | 0 | 0 | 107.1 | Q37 | Q37-Q39 PolarHBondContact O-N 3.49Š| ||
| 40 | A | 48.6 | Very low | 49.1 | Very low | 79 Ų | 79 | 133 Ų | 133 | 65% | 0.653 | 74% | 0.742 | S | S | * | * | trans | -48.1 | 156.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | S38 | S38-A40 PolarHBondContact O-N 3.32Š| ||
| 41 | P | 51 | Low | 48.8 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | cis | -143 | -175.9 | 32 | 28.8 | -1.2 | 0 | 0 | 0 | 111 | ||||
| 42 | D | 42.2 | Very low | 48 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 63% | 0.631 | 75% | 0.749 | S | S | * | * | 166.3 | 146.3 | 74 | -161.2 | -0.1 | 0 | 0 | 0 | 108.8 | |||||
| 43 | K | 46.5 | Very low | 47.6 | Very low | 163 Ų | 163 | 140.2 Ų | 140.2 | 71% | 0.709 | 75% | 0.75 | S | S | * | * | trans | 87.1 | 98.7 | 156.7 | -41.5 | -168 | -156.6 | -71.8 | 0 | 121 | ||||
| 44 | V | 48.2 | Very low | 47 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | trans | 79.5 | 95.3 | 135.2 | -154.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 45 | V | 54.3 | Low | 46.4 | Very low | 140 Ų | 140 | 145.1 Ų | 145.1 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | -138 | 105.8 | 120.5 | -177.6 | 0 | 0 | 0 | 0 | 110 | |||||
| 46 | V | 41.7 | Very low | 46.3 | Very low | 113 Ų | 113 | 150.1 Ų | 150.1 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | trans | 25.2 | 100 | 143 | -162.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 47 | K | 55.8 | Low | 46.1 | Very low | 194 Ų | 194 | 151.4 Ų | 151.4 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | 25.3 | 101.4 | 132.8 | -142.1 | 176.7 | -168.9 | 175.9 | 0 | 116.3 | ||||
| 48 | T | 57 | Low | 46 | Very low | 134 Ų | 134 | 154.8 Ų | 154.8 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -139.2 | 104.9 | 135.7 | -35.6 | 0 | 0 | 0 | 0 | 109.5 | T50 | T48-T50 PolarHBondContact O-N 2.98Å; T48-T50 VanDerWaalsContact O-N 3.16Å | ||
| 49 | R | 55 | Low | 46.4 | Very low | 219 Ų | 219 | 157 Ų | 157 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | -60.2 | 107.3 | 172.6 | -179.7 | -169.2 | -171.4 | -174.8 | 3.2 | 108.8 | ||||
| 50 | T | 46.2 | Very low | 46.9 | Very low | 129 Ų | 129 | 157 Ų | 157 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -141.8 | 79.6 | 145.3 | 50.9 | 0 | 0 | 0 | 0 | 108.5 | T48 Y52 | T48-T50 PolarHBondContact O-N 2.98Å; T48-T50 VanDerWaalsContact O-N 3.16Å; T50-Y52 PolarHBondContact O-N 3.47Å | ||
| 51 | E | 39.3 | Very low | 46.9 | Very low | 160 Ų | 160 | 159.3 Ų | 159.3 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -52.3 | 118.6 | 151.7 | 175.9 | -177.9 | 178.3 | 0 | 0 | 107.5 | ||||
| 52 | Y | 34.5 | Very low | 46.7 | Very low | 217 Ų | 217 | 158.7 Ų | 158.7 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | trans | -159.6 | 115.6 | 133.6 | -115.1 | -82.9 | 0 | 0 | 0 | 109.7 | T50 T54 | T50-Y52 PolarHBondContact O-N 3.47Å; Y52-T54 PolarHBondContact O-N 2.79Å | ||
| 53 | Q | 43.7 | Very low | 47 | Very low | 161 Ų | 161 | 161 Ų | 161 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | -49.8 | 122.1 | 175.1 | -161.3 | -149.4 | 97.9 | 0 | 0 | 111.1 | ||||
| 54 | T | 38.9 | Very low | 47.4 | Very low | 128 Ų | 128 | 159.1 Ų | 159.1 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -142.6 | 51.5 | 160.8 | -53.5 | 0 | 0 | 0 | 0 | 109.7 | Y52 | Y52-T54 PolarHBondContact O-N 2.79Š| ||
| 55 | E | 43.2 | Very low | 47.7 | Very low | 159 Ų | 159 | 160 Ų | 160 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | -78.5 | 124.2 | 151.7 | -70.6 | -82.2 | 154.7 | 0 | 0 | 105.8 | ||||
| 56 | K | 48.6 | Very low | 47.6 | Very low | 192 Ų | 192 | 161 Ų | 161 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 95.2 | 73.7 | 176.5 | -50.6 | 165.1 | -175.9 | 176.1 | 0 | 116.9 | ||
| 57 | K | 40 | Very low | 48 | Very low | 187 Ų | 187 | 163.5 Ų | 163.5 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | -175.4 | 129.8 | 115.1 | -101.1 | 167.8 | -177.2 | -179.4 | 0 | 109.4 | L59 | K57-L59 VanDerWaalsContact C-N 3.26Å; K57-L59 PolarHBondContact O-N 2.98Å | |||
| 58 | R | 49.2 | Very low | 48 | Very low | 232 Ų | 232 | 158.7 Ų | 158.7 | 88% | 0.875 | 77% | 0.765 | S | S | * | * | trans | -60.7 | 81.1 | 174.8 | -61.5 | 170.2 | 93.1 | 176.4 | 8.9 | 110.3 | K60 | R58-K60 PolarHBondContact O-N 3.35Š| ||
| 59 | L | 49.8 | Very low | 47.9 | Very low | 153 Ų | 153 | 158.3 Ų | 158.3 | 80% | 0.801 | 76% | 0.756 | S | S | * | * | trans | -88 | 92.5 | 152.5 | -91.3 | 90.8 | 0 | 0 | 0 | 106.6 | K57 V61 | K57-L59 VanDerWaalsContact C-N 3.26Å; K57-L59 PolarHBondContact O-N 2.98Å; L59-V61 VanDerWaalsContact C-N 3.34Å; L59-V61 PolarHBondContact O-N 2.92Å | ||
| 60 | K | 50.2 | Low | 47.9 | Very low | 176 Ų | 176 | 151.7 Ų | 151.7 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | trans | -55.7 | 107.1 | 156 | -94.8 | 165.1 | 170.9 | 177.4 | 0 | 106.4 | R58 P62 | R58-K60 PolarHBondContact O-N 3.35Å; K60-P62 VanDerWaalsContact O-CD 3.24Å; K60-P62 WeakPolarHBondContact O-CD 2.98Å; K60-P62 VanDerWaalsContact O-N 3.14Å | ||
| 61 | V | 48.8 | Very low | 48.1 | Very low | 127 Ų | 127 | 152.2 Ų | 152.2 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | trans | -48.2 | 114.8 | 165.9 | 178.4 | 0 | 0 | 0 | 0 | 107.1 | L59 K63 | L59-V61 VanDerWaalsContact C-N 3.34Å; L59-V61 PolarHBondContact O-N 2.92Å; V61-K63 PolarHBondContact O-N 2.65Å | ||
| 62 | P | 47.1 | Very low | 49 | Very low | 107 Ų | 107 | 148.1 Ų | 148.1 | 70% | 0.695 | 72% | 0.721 | S | S | * | * | trans | -65.1 | 127.7 | 172.1 | -15.9 | 30.2 | 0 | 0 | 0 | 107.4 | K60 V64 | K60-P62 VanDerWaalsContact O-CD 3.24Å; K60-P62 WeakPolarHBondContact O-CD 2.98Å; K60-P62 VanDerWaalsContact O-N 3.14Å; P62-V64 WeakPolarHBondContact O-CG2 3.44Å; P62-V64 PolarHBondContact O-N 2.92Å | ||
| 63 | K | 49.9 | Very low | 50.1 | Low | 167 Ų | 167 | 144 Ų | 144 | 73% | 0.726 | 71% | 0.714 | S | S | * | * | trans | -60.8 | 99.1 | 178.7 | -158.7 | 172.8 | -179.2 | 177.4 | 0 | 108.9 | V61 E65 | V61-K63 PolarHBondContact O-N 2.65Å; K63-E65 PolarHBondContact O-N 3.5Å | ||
| 64 | V | 54.7 | Low | 50.8 | Low | 122 Ų | 122 | 138.8 Ų | 138.8 | 74% | 0.739 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 46.1 | -176.6 | -160.6 | 0 | 0 | 0 | 0 | 111.3 | P62 | P62-V64 WeakPolarHBondContact O-CG2 3.44Å; P62-V64 PolarHBondContact O-N 2.92Å |
| 65 | E | 54.6 | Low | 51.7 | Low | 143 Ų | 143 | 134.3 Ų | 134.3 | 67% | 0.668 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.8 | -13 | -176.7 | -76.5 | -175.3 | 140.6 | 0 | 0 | 114.4 | K63 | K63-E65 PolarHBondContact O-N 3.5Š|
| 66 | E | 50.7 | Low | 52.6 | Low | 161 Ų | 161 | 128.4 Ų | 128.4 | 75% | 0.752 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -111.9 | -9.9 | -176.9 | -84.2 | 178.3 | 116.5 | 0 | 0 | 115.9 | ||
| 67 | F | 50.8 | Low | 53.7 | Low | 166 Ų | 166 | 126.2 Ų | 126.2 | 73% | 0.728 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -94.3 | -13.5 | -178.4 | -103.1 | -90.3 | 0 | 0 | 0 | 115.1 | F71 | F67-F71 WeakPolarHBondContact O-CB 3.24Å |
| 68 | T | 55.6 | Low | 55.4 | Low | 93 Ų | 93 | 126.4 Ų | 126.4 | 57% | 0.571 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -77.7 | -25.9 | -178.6 | -74.8 | 0 | 0 | 0 | 0 | 112.8 | T72 | T68-T72 WeakPolarHBondContact O-CG2 3.36Å; T68-T72 PolarHBondContact O-OG1 3.46Å |
| 69 | I | 55.6 | Low | 56.9 | Low | 125 Ų | 125 | 119 Ų | 119 | 64% | 0.641 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -90.1 | -32 | -169.7 | -44.2 | 161.3 | 0 | 0 | 0 | 111.4 | T72 | I69-T72 WeakPolarHBondContact CA-OG1 3.48Å; I69-T72 PolarHBondContact O-OG1 3.23Å |
| 70 | S | 53.9 | Low | 58.5 | Low | 81 Ų | 81 | 117.7 Ų | 117.7 | 57% | 0.566 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -86.2 | -30.2 | 178 | 58.8 | 0 | 0 | 0 | 0 | 113.2 | T72 | S70-T72 VanDerWaalsContact C-N 3.32Å |
| 71 | F | 51.2 | Low | 60.4 | Low | 140 Ų | 140 | 113.2 Ų | 113.2 | 61% | 0.614 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -72.2 | -28.7 | 174.2 | -148.2 | -103.6 | 0 | 0 | 0 | 111.3 | F67 D73 V75 | F67-F71 WeakPolarHBondContact O-CB 3.24Å; F71-D73 PolarHBondContact O-N 2.74Å; F71-V75 HydrophobicContact CD1-CB 4.24Å; F71-V75 HydrophobicContact CD1-CG1 4.49Å; F71-V75 HydrophobicContact CD1-CG2 3.61Å; F71-V75 HydrophobicContact CD2-CG2 4.49Å; F71-V75 HydrophobicContact CE1-CB 4.44Å; F71-V75 HydrophobicContact CE1-CG1 4.32Å; F71-V75 HydrophobicContact CE1-CG2 3.65Å; F71-V75 HydrophobicContact CG-CG2 4.05Å; F71-V75 HydrophobicContact CZ-CG2 4.13Å; F71-V75 WeakPolarHBondContact O-CB 3.21Å; F71-V75 WeakPolarHBondContact O-CG2 3.28Å; F71-V75 PolarHBondContact O-N 2.66Å |
| 72 | T | 58.3 | Low | 62.3 | Low | 73 Ų | 73 | 110.5 Ų | 110.5 | 45% | 0.448 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -71.7 | -26.9 | 179 | 33.7 | 0 | 0 | 0 | 0 | 113.3 | T68 I69 S70 S76 | T68-T72 WeakPolarHBondContact O-CG2 3.36Å; T68-T72 PolarHBondContact O-OG1 3.46Å; I69-T72 WeakPolarHBondContact CA-OG1 3.48Å; I69-T72 PolarHBondContact O-OG1 3.23Å; S70-T72 VanDerWaalsContact C-N 3.32Å; T72-S76 WeakPolarHBondContact O-CA 3Å; T72-S76 WeakPolarHBondContact O-CB 3.37Å; T72-S76 PolarHBondContact O-N 3.35Å |
| 73 | D | 57.5 | Low | 64.3 | Low | 131 Ų | 131 | 110.2 Ų | 110.2 | 70% | 0.701 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -71.8 | -53.4 | -175.5 | -152.8 | 11.3 | 0 | 0 | 0 | 112.1 | F71 S76 | F71-D73 PolarHBondContact O-N 2.74Å; D73-S76 PolarHBondContact O-OG 2.78Å |
| 74 | G | 58.3 | Low | 66.3 | Low | 51 Ų | 51 | 107.6 Ų | 107.6 | 53% | 0.526 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -78.6 | -17.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 75 | V | 57.8 | Low | 68.2 | Low | 35 Ų | 35 | 106 Ų | 106 | 21% | 0.212 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -97.7 | -13.4 | 177.4 | -164.2 | 0 | 0 | 0 | 0 | 110.1 | F71 E77 R78 L79 | F71-V75 HydrophobicContact CD1-CB 4.24Å; F71-V75 HydrophobicContact CD1-CG1 4.49Å; F71-V75 HydrophobicContact CD1-CG2 3.61Å; F71-V75 HydrophobicContact CD2-CG2 4.49Å; F71-V75 HydrophobicContact CE1-CB 4.44Å; F71-V75 HydrophobicContact CE1-CG1 4.32Å; F71-V75 HydrophobicContact CE1-CG2 3.65Å; F71-V75 HydrophobicContact CG-CG2 4.05Å; F71-V75 HydrophobicContact CZ-CG2 4.13Å; F71-V75 WeakPolarHBondContact O-CB 3.21Å; F71-V75 WeakPolarHBondContact O-CG2 3.28Å; F71-V75 PolarHBondContact O-N 2.66Å; V75-E77 VanDerWaalsContact C-N 3.31Å; V75-E77 PolarHBondContact O-N 2.7Å; V75-R78 PolarHBondContact O-N 3.38Å; V75-L79 HydrophobicContact CB-CD1 4.02Å; V75-L79 HydrophobicContact CB-CG 4.33Å; V75-L79 HydrophobicContact CG1-CD1 3.51Å; V75-L79 HydrophobicContact CG1-CD2 4.2Å; V75-L79 HydrophobicContact CG1-CG 3.44Å; V75-L79 VanDerWaalsContact CG1-CG 3.44Å; V75-L79 WeakPolarHBondContact O-CA 3.34Å; V75-L79 WeakPolarHBondContact O-CB 3.34Å; V75-L79 WeakPolarHBondContact O-CD1 3.45Å; V75-L79 WeakPolarHBondContact O-CG 3.08Å; V75-L79 PolarHBondContact O-N 2.88Å |
| 76 | S | 61.9 | Low | 70.1 | Confident | 35 Ų | 35 | 104.2 Ų | 104.2 | 25% | 0.245 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -61.1 | -38.4 | 174.1 | 69.7 | 0 | 0 | 0 | 0 | 112 | T72 D73 K80 | T72-S76 WeakPolarHBondContact O-CA 3Å; T72-S76 WeakPolarHBondContact O-CB 3.37Å; T72-S76 PolarHBondContact O-N 3.35Å; D73-S76 PolarHBondContact O-OG 2.78Å; S76-K80 WeakPolarHBondContact O-CA 3.45Å; S76-K80 WeakPolarHBondContact O-CB 3.04Å; S76-K80 WeakPolarHBondContact O-CD 3.16Å; S76-K80 WeakPolarHBondContact O-CG 3.36Å; S76-K80 PolarHBondContact O-N 2.86Å |
| 77 | E | 72.8 | Confident | 72.2 | Confident | 146 Ų | 146 | 100.6 Ų | 100.6 | 68% | 0.682 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -72 | -45.2 | 178.7 | -130 | 174.2 | -174.6 | 0 | 0 | 111.2 | V75 K80 V81 | V75-E77 VanDerWaalsContact C-N 3.31Å; V75-E77 PolarHBondContact O-N 2.7Å; E77-K80 PolarHBondContact O-N 3Å; E77-V81 WeakPolarHBondContact O-CG2 3.15Å; E77-V81 PolarHBondContact O-N 2.96Å |
| 78 | R | 74.3 | Confident | 74.3 | Confident | 191 Ų | 191 | 95.5 Ų | 95.5 | 72% | 0.721 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.5 | -36 | 177.9 | -60.5 | -178.5 | -175.8 | -104.2 | -0.2 | 112 | V75 T82 | V75-R78 PolarHBondContact O-N 3.38Å; R78-T82 VanDerWaalsContact O-CB 3.28Å; R78-T82 WeakPolarHBondContact O-CB 3.32Å; R78-T82 PolarHBondContact O-N 2.84Å; R78-T82 PolarHBondContact O-OG1 3.46Å |
| 79 | L | 80.4 | Confident | 76.2 | Confident | 77 Ų | 77 | 96.1 Ų | 96.1 | 40% | 0.403 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -73.3 | -40.3 | 173.1 | -72.6 | 164.3 | 0 | 0 | 0 | 111 | V75 V81 T82 I83 | V75-L79 HydrophobicContact CB-CD1 4.02Å; V75-L79 HydrophobicContact CB-CG 4.33Å; V75-L79 HydrophobicContact CG1-CD1 3.51Å; V75-L79 HydrophobicContact CG1-CD2 4.2Å; V75-L79 HydrophobicContact CG1-CG 3.44Å; V75-L79 VanDerWaalsContact CG1-CG 3.44Å; V75-L79 WeakPolarHBondContact O-CA 3.34Å; V75-L79 WeakPolarHBondContact O-CB 3.34Å; V75-L79 WeakPolarHBondContact O-CD1 3.45Å; V75-L79 WeakPolarHBondContact O-CG 3.08Å; V75-L79 PolarHBondContact O-N 2.88Å; L79-V81 VanDerWaalsContact C-N 3.32Å; L79-V81 PolarHBondContact O-N 3.35Å; L79-T82 CarbonylContact O-C 3.36Å; L79-T82 PolarHBondContact O-N 3.32Å; L79-I83 HydrophobicContact CB-CD1 4.26Å; L79-I83 WeakPolarHBondContact O-CB 3.18Å; L79-I83 WeakPolarHBondContact O-CD1 3.04Å; L79-I83 WeakPolarHBondContact O-CG1 3.47Å; L79-I83 PolarHBondContact O-N 2.86Å |
| 80 | K | 84.8 | Confident | 78.2 | Confident | 125 Ų | 125 | 92.4 Ų | 92.4 | 54% | 0.543 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57 | -49.8 | 173.8 | -82.5 | 161.4 | -173.2 | 159.1 | 0 | 109.4 | S76 E77 T82 I83 L84 | S76-K80 WeakPolarHBondContact O-CA 3.45Å; S76-K80 WeakPolarHBondContact O-CB 3.04Å; S76-K80 WeakPolarHBondContact O-CD 3.16Å; S76-K80 WeakPolarHBondContact O-CG 3.36Å; S76-K80 PolarHBondContact O-N 2.86Å; E77-K80 PolarHBondContact O-N 3Å; K80-T82 PolarHBondContact O-N 2.87Å; K80-I83 PolarHBondContact O-N 3.49Å; K80-L84 WeakPolarHBondContact O-CB 3.23Å; K80-L84 WeakPolarHBondContact O-CG 3.5Å; K80-L84 PolarHBondContact O-N 3.47Å |
| 81 | V | 88.6 | Confident | 80.3 | Confident | 82 Ų | 82 | 94.5 Ų | 94.5 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 176 | 174.8 | 0 | 0 | 0 | 0 | 111 | E77 L79 I83 L84 I85 | E77-V81 WeakPolarHBondContact O-CG2 3.15Å; E77-V81 PolarHBondContact O-N 2.96Å; L79-V81 VanDerWaalsContact C-N 3.32Å; L79-V81 PolarHBondContact O-N 3.35Å; V81-I83 PolarHBondContact O-N 3.27Å; V81-L84 PolarHBondContact O-N 3.41Å; V81-I85 HydrophobicContact CG1-CD1 3.67Å; V81-I85 HydrophobicContact CG1-CG1 4.38Å; V81-I85 WeakPolarHBondContact O-CB 3.09Å; V81-I85 WeakPolarHBondContact O-CD1 3.39Å; V81-I85 WeakPolarHBondContact O-CG1 3.18Å; V81-I85 PolarHBondContact O-N 3.44Å |
| 82 | T | 89.2 | Confident | 82.4 | Confident | 69 Ų | 69 | 93 Ų | 93 | 42% | 0.423 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 179.9 | -56.8 | 0 | 0 | 0 | 0 | 112.6 | R78 L79 K80 I85 I86 | R78-T82 VanDerWaalsContact O-CB 3.28Å; R78-T82 WeakPolarHBondContact O-CB 3.32Å; R78-T82 PolarHBondContact O-N 2.84Å; R78-T82 PolarHBondContact O-OG1 3.46Å; L79-T82 CarbonylContact O-C 3.36Å; L79-T82 PolarHBondContact O-N 3.32Å; K80-T82 PolarHBondContact O-N 2.87Å; T82-I85 PolarHBondContact O-N 2.69Å; T82-I86 HydrophobicContact CG2-CD1 3.87Å; T82-I86 HydrophobicContact CG2-CG1 4.48Å; T82-I86 WeakPolarHBondContact O-CB 2.97Å; T82-I86 VanDerWaalsContact O-CG1 3.23Å; T82-I86 WeakPolarHBondContact O-CG1 3.24Å; T82-I86 PolarHBondContact O-N 3.34Å |
| 83 | I | 88.7 | Confident | 84.2 | Confident | 102 Ų | 102 | 92.3 Ų | 92.3 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 176.4 | -70.2 | 163.9 | 0 | 0 | 0 | 109.8 | L79 K80 V81 I85 I86 L87 | L79-I83 HydrophobicContact CB-CD1 4.26Å; L79-I83 WeakPolarHBondContact O-CB 3.18Å; L79-I83 WeakPolarHBondContact O-CD1 3.04Å; L79-I83 WeakPolarHBondContact O-CG1 3.47Å; L79-I83 PolarHBondContact O-N 2.86Å; K80-I83 PolarHBondContact O-N 3.49Å; V81-I83 PolarHBondContact O-N 3.27Å; I83-I85 VanDerWaalsContact C-N 3.31Å; I83-I85 PolarHBondContact O-N 3.04Å; I83-I86 PolarHBondContact O-N 2.83Å; I83-L87 WeakPolarHBondContact O-CB 3.42Å; I83-L87 PolarHBondContact O-N 3.32Å |
| 84 | L | 92.7 | Very high | 86 | Confident | 111 Ų | 111 | 89.6 Ų | 89.6 | 58% | 0.581 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.2 | -39.8 | 174.8 | -71.8 | 174.6 | 0 | 0 | 0 | 111.5 | K80 V81 L87 A88 | K80-L84 WeakPolarHBondContact O-CB 3.23Å; K80-L84 WeakPolarHBondContact O-CG 3.5Å; K80-L84 PolarHBondContact O-N 3.47Å; V81-L84 PolarHBondContact O-N 3.41Å; L84-L87 PolarHBondContact O-N 2.87Å; L84-A88 VanDerWaalsContact O-CB 3.25Å; L84-A88 WeakPolarHBondContact O-CB 3.25Å; L84-A88 PolarHBondContact O-N 2.81Å |
| 85 | I | 93.8 | Very high | 87.8 | Confident | 89 Ų | 89 | 92.1 Ų | 92.1 | 46% | 0.456 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.5 | -49.2 | 175.1 | -69.2 | 163.3 | 0 | 0 | 0 | 110.5 | V81 T82 I83 L87 A88 L89 | V81-I85 HydrophobicContact CG1-CD1 3.67Å; V81-I85 HydrophobicContact CG1-CG1 4.38Å; V81-I85 WeakPolarHBondContact O-CB 3.09Å; V81-I85 WeakPolarHBondContact O-CD1 3.39Å; V81-I85 WeakPolarHBondContact O-CG1 3.18Å; V81-I85 PolarHBondContact O-N 3.44Å; T82-I85 PolarHBondContact O-N 2.69Å; I83-I85 VanDerWaalsContact C-N 3.31Å; I83-I85 PolarHBondContact O-N 3.04Å; I85-L87 VanDerWaalsContact C-N 3.3Å; I85-L87 PolarHBondContact O-N 2.82Å; I85-A88 PolarHBondContact O-N 3.3Å; I85-L89 HydrophobicContact CG2-CD1 3.87Å; I85-L89 HydrophobicContact CG2-CG 4.28Å; I85-L89 WeakPolarHBondContact O-CB 3.16Å; I85-L89 VanDerWaalsContact O-CG 3.24Å; I85-L89 WeakPolarHBondContact O-CG 3.3Å; I85-L89 PolarHBondContact O-N 2.75Å |
| 86 | I | 94.4 | Very high | 89.5 | Confident | 105 Ų | 105 | 94.3 Ų | 94.3 | 54% | 0.538 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 178.7 | -68.1 | 164.6 | 0 | 0 | 0 | 110.6 | T82 I83 L89 A90 | T82-I86 HydrophobicContact CG2-CD1 3.87Å; T82-I86 HydrophobicContact CG2-CG1 4.48Å; T82-I86 WeakPolarHBondContact O-CB 2.97Å; T82-I86 VanDerWaalsContact O-CG1 3.23Å; T82-I86 WeakPolarHBondContact O-CG1 3.24Å; T82-I86 PolarHBondContact O-N 3.34Å; I83-I86 PolarHBondContact O-N 2.83Å; I86-L89 PolarHBondContact O-N 2.86Å; I86-A90 VanDerWaalsContact O-CB 3.31Å; I86-A90 WeakPolarHBondContact O-CB 3.41Å; I86-A90 PolarHBondContact O-N 3.29Å |
| 87 | L | 94.9 | Very high | 90.8 | Very high | 85 Ų | 85 | 99.1 Ų | 99.1 | 45% | 0.445 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 177.4 | -175.1 | 65.2 | 0 | 0 | 0 | 111.1 | I83 L84 I85 A90 F91 | I83-L87 WeakPolarHBondContact O-CB 3.42Å; I83-L87 PolarHBondContact O-N 3.32Å; L84-L87 PolarHBondContact O-N 2.87Å; I85-L87 VanDerWaalsContact C-N 3.3Å; I85-L87 PolarHBondContact O-N 2.82Å; L87-A90 PolarHBondContact O-N 2.88Å; L87-F91 HydrophobicContact CD1-CD2 3.91Å; L87-F91 HydrophobicContact CD1-CE2 3.38Å; L87-F91 HydrophobicContact CD1-CZ 4.16Å; L87-F91 HydrophobicContact CD2-CE2 4.08Å; L87-F91 HydrophobicContact CG-CD2 3.77Å; L87-F91 HydrophobicContact CG-CE2 3.5Å; L87-F91 WeakPolarHBondContact O-CD2 3.26Å; L87-F91 PolarHBondContact O-N 2.88Å |
| 88 | A | 95.6 | Very high | 91.6 | Very high | 60 Ų | 60 | 97.4 Ų | 97.4 | 50% | 0.496 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | L84 I85 F91 L92 | L84-A88 VanDerWaalsContact O-CB 3.25Å; L84-A88 WeakPolarHBondContact O-CB 3.25Å; L84-A88 PolarHBondContact O-N 2.81Å; I85-A88 PolarHBondContact O-N 3.3Å; A88-F91 PolarHBondContact O-N 3.42Å; A88-L92 WeakPolarHBondContact O-CB 3.12Å; A88-L92 PolarHBondContact O-N 3.37Å |
| 89 | L | 96.6 | Very high | 92.4 | Very high | 105 Ų | 105 | 92.8 Ų | 92.8 | 55% | 0.55 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 176 | -70.2 | 175.2 | 0 | 0 | 0 | 111.8 | I85 I86 L92 A93 | I85-L89 HydrophobicContact CG2-CD1 3.87Å; I85-L89 HydrophobicContact CG2-CG 4.28Å; I85-L89 WeakPolarHBondContact O-CB 3.16Å; I85-L89 VanDerWaalsContact O-CG 3.24Å; I85-L89 WeakPolarHBondContact O-CG 3.3Å; I85-L89 PolarHBondContact O-N 2.75Å; I86-L89 PolarHBondContact O-N 2.86Å; L89-L92 PolarHBondContact O-N 3.41Å; L89-A93 VanDerWaalsContact O-CB 3.3Å; L89-A93 WeakPolarHBondContact O-CB 3.32Å; L89-A93 PolarHBondContact O-N 2.91Å |
| 90 | A | 96.8 | Very high | 92.6 | Very high | 48 Ų | 48 | 92 Ų | 92 | 40% | 0.397 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I86 L87 A93 C94 | I86-A90 VanDerWaalsContact O-CB 3.31Å; I86-A90 WeakPolarHBondContact O-CB 3.41Å; I86-A90 PolarHBondContact O-N 3.29Å; L87-A90 PolarHBondContact O-N 2.88Å; A90-A93 PolarHBondContact O-N 2.83Å; A90-C94 WeakPolarHBondContact O-CB 3.31Å; A90-C94 PolarHBondContact O-N 2.83Å; A90-C94 PolarHBondContact O-SG 3.47Å |
| 91 | F | 97.6 | Very high | 92.4 | Very high | 124 Ų | 124 | 91.6 Ų | 91.6 | 54% | 0.544 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 175.1 | -80.3 | -61.5 | 0 | 0 | 0 | 112.5 | L87 A88 C94 I95 | L87-F91 HydrophobicContact CD1-CD2 3.91Å; L87-F91 HydrophobicContact CD1-CE2 3.38Å; L87-F91 HydrophobicContact CD1-CZ 4.16Å; L87-F91 HydrophobicContact CD2-CE2 4.08Å; L87-F91 HydrophobicContact CG-CD2 3.77Å; L87-F91 HydrophobicContact CG-CE2 3.5Å; L87-F91 WeakPolarHBondContact O-CD2 3.26Å; L87-F91 PolarHBondContact O-N 2.88Å; A88-F91 PolarHBondContact O-N 3.42Å; F91-C94 PolarHBondContact O-N 3.3Å; F91-I95 VanDerWaalsContact O-CG1 3.26Å; F91-I95 WeakPolarHBondContact O-CG1 3.18Å; F91-I95 PolarHBondContact O-N 3.25Å |
| 92 | L | 96.4 | Very high | 91.8 | Very high | 110 Ų | 110 | 94 Ų | 94 | 58% | 0.576 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.3 | -46.8 | 175.9 | -166.2 | 91.7 | 0 | 0 | 0 | 110.7 | A88 L89 C94 I95 V96 | A88-L92 WeakPolarHBondContact O-CB 3.12Å; A88-L92 PolarHBondContact O-N 3.37Å; L89-L92 PolarHBondContact O-N 3.41Å; L92-C94 PolarHBondContact O-N 3.49Å; L92-I95 PolarHBondContact O-N 3.26Å; L92-V96 VanDerWaalsContact O-CG2 3.31Å; L92-V96 WeakPolarHBondContact O-CG2 3.21Å; L92-V96 PolarHBondContact O-N 2.79Å |
| 93 | A | 95.9 | Very high | 91.1 | Very high | 58 Ų | 58 | 93.3 Ų | 93.3 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -41 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L89 A90 V96 F97 | L89-A93 VanDerWaalsContact O-CB 3.3Å; L89-A93 WeakPolarHBondContact O-CB 3.32Å; L89-A93 PolarHBondContact O-N 2.91Å; A90-A93 PolarHBondContact O-N 2.83Å; A93-V96 PolarHBondContact O-N 3.24Å; A93-F97 WeakPolarHBondContact O-CB 3.31Å; A93-F97 PolarHBondContact O-N 3.37Å |
| 94 | C | 95.1 | Very high | 90 | Very high | 73 Ų | 73 | 94 Ų | 94 | 49% | 0.493 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 173.7 | -75.5 | 0 | 0 | 0 | 0 | 111.9 | A90 F91 L92 F97 L98 | A90-C94 WeakPolarHBondContact O-CB 3.31Å; A90-C94 PolarHBondContact O-N 2.83Å; A90-C94 PolarHBondContact O-SG 3.47Å; F91-C94 PolarHBondContact O-N 3.3Å; L92-C94 PolarHBondContact O-N 3.49Å; C94-F97 CarbonylContact O-C 3.59Å; C94-F97 PolarHBondContact O-N 2.77Å; C94-L98 VanDerWaalsContact O-CB 3.31Å; C94-L98 WeakPolarHBondContact O-CB 2.9Å; C94-L98 WeakPolarHBondContact O-CG 3.4Å; C94-L98 PolarHBondContact O-N 3.42Å |
| 95 | I | 94.8 | Very high | 88.5 | Confident | 104 Ų | 104 | 91.6 Ų | 91.6 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -47.6 | 177.5 | -68.8 | 164.5 | 0 | 0 | 0 | 110.1 | F91 L92 F97 L98 V99 | F91-I95 VanDerWaalsContact O-CG1 3.26Å; F91-I95 WeakPolarHBondContact O-CG1 3.18Å; F91-I95 PolarHBondContact O-N 3.25Å; L92-I95 PolarHBondContact O-N 3.26Å; I95-F97 VanDerWaalsContact C-N 3.33Å; I95-F97 PolarHBondContact O-N 3.16Å; I95-L98 PolarHBondContact O-N 3.17Å; I95-L98 VanDerWaalsContact O-N 3.17Å; I95-V99 HydrophobicContact CG2-CG2 4.41Å; I95-V99 VanDerWaalsContact O-CG2 3.31Å; I95-V99 WeakPolarHBondContact O-CG2 3.36Å; I95-V99 PolarHBondContact O-N 3.46Å |
| 96 | V | 93.8 | Very high | 86.7 | Confident | 81 Ų | 81 | 95.7 Ų | 95.7 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 176.1 | 172.7 | 0 | 0 | 0 | 0 | 110.1 | L92 A93 L98 V99 V100 | L92-V96 VanDerWaalsContact O-CG2 3.31Å; L92-V96 WeakPolarHBondContact O-CG2 3.21Å; L92-V96 PolarHBondContact O-N 2.79Å; A93-V96 PolarHBondContact O-N 3.24Å; V96-L98 VanDerWaalsContact C-N 3.32Å; V96-L98 PolarHBondContact O-N 2.75Å; V96-V99 PolarHBondContact O-N 3.4Å; V96-V100 HydrophobicContact CG1-CG2 4.19Å; V96-V100 VanDerWaalsContact O-CB 3.28Å; V96-V100 WeakPolarHBondContact O-CB 3.31Å; V96-V100 WeakPolarHBondContact O-CG2 3.31Å; V96-V100 PolarHBondContact O-N 2.66Å |
| 97 | F | 90.2 | Very high | 85 | Confident | 136 Ų | 136 | 96.7 Ų | 96.7 | 60% | 0.596 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.4 | -36.1 | 176.2 | -170.8 | -96 | 0 | 0 | 0 | 111.9 | A93 C94 I95 Y101 | A93-F97 WeakPolarHBondContact O-CB 3.31Å; A93-F97 PolarHBondContact O-N 3.37Å; C94-F97 CarbonylContact O-C 3.59Å; C94-F97 PolarHBondContact O-N 2.77Å; I95-F97 VanDerWaalsContact C-N 3.33Å; I95-F97 PolarHBondContact O-N 3.16Å; F97-Y101 HydrophobicContact CE1-CD2 4.32Å; F97-Y101 WeakPolarHBondContact O-CA 3.28Å; F97-Y101 WeakPolarHBondContact O-CB 3.18Å; F97-Y101 PolarHBondContact O-N 2.82Å |
| 98 | L | 88.9 | Confident | 83 | Confident | 110 Ų | 110 | 97.9 Ų | 97.9 | 58% | 0.576 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71.5 | -35.1 | 175.2 | -74.9 | 173.8 | 0 | 0 | 0 | 112.3 | C94 I95 V96 K102 | C94-L98 VanDerWaalsContact O-CB 3.31Å; C94-L98 WeakPolarHBondContact O-CB 2.9Å; C94-L98 WeakPolarHBondContact O-CG 3.4Å; C94-L98 PolarHBondContact O-N 3.42Å; I95-L98 PolarHBondContact O-N 3.17Å; I95-L98 VanDerWaalsContact O-N 3.17Å; V96-L98 VanDerWaalsContact C-N 3.32Å; V96-L98 PolarHBondContact O-N 2.75Å; L98-K102 WeakPolarHBondContact O-CA 3.44Å; L98-K102 WeakPolarHBondContact O-CB 3.04Å; L98-K102 PolarHBondContact O-N 3.44Å |
| 99 | V | 90.4 | Very high | 81.2 | Confident | 94 Ų | 94 | 97.7 Ų | 97.7 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -70.4 | -43.3 | 174.8 | 171.2 | 0 | 0 | 0 | 0 | 110.3 | I95 V96 K102 A103 | I95-V99 HydrophobicContact CG2-CG2 4.41Å; I95-V99 VanDerWaalsContact O-CG2 3.31Å; I95-V99 WeakPolarHBondContact O-CG2 3.36Å; I95-V99 PolarHBondContact O-N 3.46Å; V96-V99 PolarHBondContact O-N 3.4Å; V99-K102 PolarHBondContact O-N 3.4Å; V99-A103 WeakPolarHBondContact O-CB 3.21Å; V99-A103 PolarHBondContact O-N 2.74Å |
| 100 | V | 86.1 | Confident | 79.1 | Confident | 60 Ų | 60 | 93 Ų | 93 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.8 | -47.4 | 175.1 | 169.6 | 0 | 0 | 0 | 0 | 109.9 | V96 K102 A103 F104 | V96-V100 HydrophobicContact CG1-CG2 4.19Å; V96-V100 VanDerWaalsContact O-CB 3.28Å; V96-V100 WeakPolarHBondContact O-CB 3.31Å; V96-V100 WeakPolarHBondContact O-CG2 3.31Å; V96-V100 PolarHBondContact O-N 2.66Å; V100-K102 VanDerWaalsContact C-N 3.29Å; V100-K102 PolarHBondContact O-N 2.74Å; V100-A103 CarbonylContact O-C 3.51Å; V100-A103 PolarHBondContact O-N 2.62Å; V100-A103 VanDerWaalsContact O-N 3.14Å; V100-F104 HydrophobicContact CB-CD2 4.17Å; V100-F104 HydrophobicContact CG1-CD2 3.35Å; V100-F104 HydrophobicContact CG1-CE2 3.77Å; V100-F104 HydrophobicContact CG1-CG 4.22Å; V100-F104 WeakPolarHBondContact O-CA 2.94Å; V100-F104 WeakPolarHBondContact O-CB 3.12Å; V100-F104 WeakPolarHBondContact O-CD2 3.47Å; V100-F104 PolarHBondContact O-N 3.3Å |
| 101 | Y | 80.5 | Confident | 77.3 | Confident | 118 Ų | 118 | 94.7 Ų | 94.7 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | I | π-helix | trans | -62.4 | -37.8 | 174.3 | 179.7 | -94.9 | 0 | 0 | 0 | 110.9 | F97 T105 Y106 | F97-Y101 HydrophobicContact CE1-CD2 4.32Å; F97-Y101 WeakPolarHBondContact O-CA 3.28Å; F97-Y101 WeakPolarHBondContact O-CB 3.18Å; F97-Y101 PolarHBondContact O-N 2.82Å; Y101-T105 HydrophobicContact CD2-CG2 4.22Å; Y101-T105 WeakPolarHBondContact CD2-OG1 3.47Å; Y101-T105 HydrophobicContact CE1-CG2 4.48Å; Y101-T105 HydrophobicContact CE2-CG2 3.67Å; Y101-T105 WeakPolarHBondContact CE2-OG1 2.96Å; Y101-T105 WeakPolarHBondContact O-CA 3.21Å; Y101-T105 WeakPolarHBondContact O-CB 3.05Å; Y101-T105 PolarHBondContact O-N 2.69Å; Y101-T105 PolarHBondContact O-OG1 2.74Å; Y101-Y106 PolarHBondContact O-N 3.14Å |
| 102 | K | 76.3 | Confident | 75.3 | Confident | 132 Ų | 132 | 96.9 Ų | 96.9 | 57% | 0.574 | 52% | 0.518 | S | S | * | . | I | π-helix | trans | -66.9 | -45.7 | 171.6 | -170.1 | -174.7 | 178.7 | 176 | 0 | 110.5 | L98 V99 V100 Y106 | L98-K102 WeakPolarHBondContact O-CA 3.44Å; L98-K102 WeakPolarHBondContact O-CB 3.04Å; L98-K102 PolarHBondContact O-N 3.44Å; V99-K102 PolarHBondContact O-N 3.4Å; V100-K102 VanDerWaalsContact C-N 3.29Å; V100-K102 PolarHBondContact O-N 2.74Å; K102-Y106 HydrophobicContact CB-CD2 4.46Å; K102-Y106 HydrophobicContact CG-CD2 3.77Å; K102-Y106 HydrophobicContact CG-CE2 4.1Å; K102-Y106 HydrophobicContact CG-CG 4.29Å; K102-Y106 WeakPolarHBondContact O-CA 3.34Å; K102-Y106 WeakPolarHBondContact O-CB 3.44Å; K102-Y106 WeakPolarHBondContact O-CD2 3.06Å; K102-Y106 PolarHBondContact O-N 2.86Å |
| 103 | A | 74.1 | Confident | 73.6 | Confident | 55 Ų | 55 | 93.8 Ų | 93.8 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | I | π-helix | trans | -66.9 | -66.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V99 V100 D107 | V99-A103 WeakPolarHBondContact O-CB 3.21Å; V99-A103 PolarHBondContact O-N 2.74Å; V100-A103 CarbonylContact O-C 3.51Å; V100-A103 PolarHBondContact O-N 2.62Å; V100-A103 VanDerWaalsContact O-N 3.14Å; A103-D107 WeakPolarHBondContact O-CB 3.39Å; A103-D107 PolarHBondContact O-N 3.46Å |
| 104 | F | 65.2 | Low | 71.8 | Confident | 117 Ų | 117 | 95.1 Ų | 95.1 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | I | π-helix | trans | -60.7 | -49.3 | 178.1 | -71.3 | -92 | 0 | 0 | 0 | 113.3 | V100 D107 H108 | V100-F104 HydrophobicContact CB-CD2 4.17Å; V100-F104 HydrophobicContact CG1-CD2 3.35Å; V100-F104 HydrophobicContact CG1-CE2 3.77Å; V100-F104 HydrophobicContact CG1-CG 4.22Å; V100-F104 WeakPolarHBondContact O-CA 2.94Å; V100-F104 WeakPolarHBondContact O-CB 3.12Å; V100-F104 WeakPolarHBondContact O-CD2 3.47Å; V100-F104 PolarHBondContact O-N 3.3Å; F104-D107 PolarHBondContact O-N 3.2Å; F104-H108 VanDerWaalsContact C-CD2 3.44Å; F104-H108 AromaticContact CD1-NE2 3.47Å; F104-H108 WeakPolarHBondContact CD1-NE2 3.42Å; F104-H108 WeakPolarHBondContact O-CA 3.34Å; F104-H108 WeakPolarHBondContact O-CB 3.08Å; F104-H108 PolarHBondContact O-CD2 3Å; F104-H108 PolarHBondContact O-N 2.84Å |
| 105 | T | 61.2 | Low | 70.5 | Confident | 60 Ų | 60 | 95.5 Ų | 95.5 | 37% | 0.368 | 50% | 0.504 | S | S | . | . | I | π-helix | trans | -80.7 | -21.9 | -177.6 | -45.1 | 0 | 0 | 0 | 0 | 113.9 | Y101 A109 | Y101-T105 HydrophobicContact CD2-CG2 4.22Å; Y101-T105 WeakPolarHBondContact CD2-OG1 3.47Å; Y101-T105 HydrophobicContact CE1-CG2 4.48Å; Y101-T105 HydrophobicContact CE2-CG2 3.67Å; Y101-T105 WeakPolarHBondContact CE2-OG1 2.96Å; Y101-T105 WeakPolarHBondContact O-CA 3.21Å; Y101-T105 WeakPolarHBondContact O-CB 3.05Å; Y101-T105 PolarHBondContact O-N 2.69Å; Y101-T105 PolarHBondContact O-OG1 2.74Å; T105-A109 PolarHBondContact O-N 3.28Å |
| 106 | Y | 56.9 | Low | 69.1 | Low | 174 Ų | 174 | 97.3 Ų | 97.3 | 68% | 0.682 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -75.7 | -31.6 | 163 | -83 | -118.6 | 0 | 0 | 0 | 112.6 | Y101 K102 | Y101-Y106 PolarHBondContact O-N 3.14Å; K102-Y106 HydrophobicContact CB-CD2 4.46Å; K102-Y106 HydrophobicContact CG-CD2 3.77Å; K102-Y106 HydrophobicContact CG-CE2 4.1Å; K102-Y106 HydrophobicContact CG-CG 4.29Å; K102-Y106 WeakPolarHBondContact O-CA 3.34Å; K102-Y106 WeakPolarHBondContact O-CB 3.44Å; K102-Y106 WeakPolarHBondContact O-CD2 3.06Å; K102-Y106 PolarHBondContact O-N 2.86Å |
| 107 | D | 57.4 | Low | 67.5 | Low | 126 Ų | 126 | 98.7 Ų | 98.7 | 67% | 0.674 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -74.6 | -37.2 | 176.1 | -148.4 | -7.8 | 0 | 0 | 0 | 110.3 | A103 F104 A109 C110 | A103-D107 WeakPolarHBondContact O-CB 3.39Å; A103-D107 PolarHBondContact O-N 3.46Å; F104-D107 PolarHBondContact O-N 3.2Å; D107-A109 PolarHBondContact O-N 3.34Å; D107-C110 PolarHBondContact O-N 3.46Å |
| 108 | H | 53.7 | Low | 66.2 | Low | 110 Ų | 110 | 100.3 Ų | 100.3 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 15.8 | 175 | -59.3 | -38.8 | 0 | 0 | 0 | 114.8 | F104 C110 | F104-H108 VanDerWaalsContact C-CD2 3.44Å; F104-H108 AromaticContact CD1-NE2 3.47Å; F104-H108 WeakPolarHBondContact CD1-NE2 3.42Å; F104-H108 WeakPolarHBondContact O-CA 3.34Å; F104-H108 WeakPolarHBondContact O-CB 3.08Å; F104-H108 PolarHBondContact O-CD2 3Å; F104-H108 PolarHBondContact O-N 2.84Å; H108-C110 PolarHBondContact O-N 2.77Å |
| 109 | A | 56.9 | Low | 64.9 | Low | 56 Ų | 56 | 103.9 Ų | 103.9 | 46% | 0.463 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -27.6 | 154.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | T105 D107 Y116 C121 | T105-A109 PolarHBondContact O-N 3.28Å; D107-A109 PolarHBondContact O-N 3.34Å; A109-Y116 HydrophobicContact CB-CD2 4.13Å; A109-Y116 HydrophobicContact CB-CE2 4.1Å; A109-C121 PolarHBondContact O-SG 3.2Å |
| 110 | C | 53.5 | Low | 63.6 | Low | 8 Ų | 8 | 108.9 Ų | 108.9 | 5% | 0.054 | 53% | 0.533 | C | S | . | . | S | Bend | trans | -124.9 | 129.1 | 177.6 | -53.1 | 0 | 0 | 0 | 0 | 111 | D107 H108 F114 C121 | D107-C110 PolarHBondContact O-N 3.46Å; H108-C110 PolarHBondContact O-N 2.77Å; C110-F114 HydrophobicContact CB-CB 3.63Å; C110-F114 WeakPolarHBondContact CB-O 3.44Å; C110-C121 WeakPolarHBondContact CA-SG 3.38Å; C110-C121 HydrophobicContact CB-CB 3.67Å; C110-C121 WeakPolarHBondContact CB-SG 3.44Å; C110-C121 WeakPolarHBondContact SG-CA 3.36Å; C110-C121 WeakPolarHBondContact SG-CB 2.95Å; C110-C121 CovalentContact SG-SG 2.03Å; C110-C121 PolarHBondContact SG-SG 2.03Å |
| 111 | P | 58.1 | Low | 62.6 | Low | 82 Ų | 82 | 108.3 Ų | 108.3 | 53% | 0.532 | 53% | 0.531 | S | S | . | . | trans | -64.9 | 158 | 175.5 | 25.4 | -31.4 | 0 | 0 | 0 | 111.5 | G113 F114 | P111-G113 PolarHBondContact O-N 2.72Å; P111-F114 HydrophobicContact CG-CD2 3.85Å; P111-F114 HydrophobicContact CG-CE2 4.1Å; P111-F114 HydrophobicContact CG-CG 4.43Å; P111-F114 WeakPolarHBondContact O-CB 3.4Å; P111-F114 WeakPolarHBondContact O-CD2 3.12Å; P111-F114 PolarHBondContact O-N 3.27Å | ||
| 112 | D | 56.5 | Low | 61.7 | Low | 171 Ų | 171 | 104.9 Ų | 104.9 | 91% | 0.914 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.6 | 121.9 | -178.1 | -121.8 | -35.6 | 0 | 0 | 0 | 111.8 | ||
| 113 | G | 60.7 | Low | 61.1 | Low | 45 Ų | 45 | 100.3 Ų | 100.3 | 46% | 0.464 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.9 | 12.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | P111 P123 A124 | P111-G113 PolarHBondContact O-N 2.72Å; G113-P123 CarbonylContact O-C 3.59Å; G113-P123 WeakPolarHBondContact O-CA 3.3Å; G113-A124 VanDerWaalsContact O-CB 3.3Å; G113-A124 WeakPolarHBondContact O-CB 3.43Å; G113-A124 PolarHBondContact O-N 3.05Å |
| 114 | F | 58.6 | Low | 60.5 | Low | 86 Ų | 86 | 99.5 Ų | 99.5 | 38% | 0.377 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 131.7 | 173.4 | -70.3 | -110.5 | 0 | 0 | 0 | 111.1 | C110 P111 C121 I122 P123 | C110-F114 HydrophobicContact CB-CB 3.63Å; C110-F114 WeakPolarHBondContact CB-O 3.44Å; P111-F114 HydrophobicContact CG-CD2 3.85Å; P111-F114 HydrophobicContact CG-CE2 4.1Å; P111-F114 HydrophobicContact CG-CG 4.43Å; P111-F114 WeakPolarHBondContact O-CB 3.4Å; P111-F114 WeakPolarHBondContact O-CD2 3.12Å; P111-F114 PolarHBondContact O-N 3.27Å; F114-C121 HydrophobicContact CB-CB 4.34Å; F114-C121 HydrophobicContact CD1-CB 4.35Å; F114-I122 CarbonylContact C-O 3.48Å; F114-I122 WeakPolarHBondContact CA-O 3.44Å; F114-I122 WeakPolarHBondContact CB-O 3.46Å; F114-I122 VanDerWaalsContact CD1-C 3.42Å; F114-P123 HydrophobicContact CD1-CB 3.73Å; F114-P123 HydrophobicContact CD1-CG 4.14Å; F114-P123 HydrophobicContact CE1-CB 3.48Å; F114-P123 VanDerWaalsContact CE1-CB 3.48Å; F114-P123 VanDerWaalsContact CE1-CD 3.49Å; F114-P123 HydrophobicContact CE1-CG 3.71Å; F114-P123 HydrophobicContact CE2-CB 4.31Å; F114-P123 HydrophobicContact CG-CB 4.22Å; F114-P123 HydrophobicContact CZ-CB 3.8Å; F114-P123 HydrophobicContact CZ-CG 4.32Å |
| 115 | I | 66.2 | Low | 60.2 | Low | 81 Ų | 81 | 98.2 Ų | 98.2 | 42% | 0.415 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 139.9 | 179.3 | -60.5 | 171.8 | 0 | 0 | 0 | 109.1 | K117 I122 A124 E127 | I115-K117 HydrophobicContact CG2-CG 4.29Å; I115-K117 PolarHBondContact O-N 3.33Å; I115-I122 PolarHBondContact N-O 2.91Å; I115-I122 PolarHBondContact O-N 3.45Å; I115-I122 VanDerWaalsContact O-N 3.1Å; I115-A124 HydrophobicContact CD1-CB 3.96Å; I115-A124 HydrophobicContact CG1-CB 3.96Å; I115-E127 WeakPolarHBondContact CB-OE2 3.07Å |
| 116 | Y | 65.6 | Low | 60 | Low | 141 Ų | 141 | 99.1 Ų | 99.1 | 55% | 0.553 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 100.6 | 178.7 | -167.8 | -100.3 | 0 | 0 | 0 | 111.1 | A109 | A109-Y116 HydrophobicContact CB-CD2 4.13Å; A109-Y116 HydrophobicContact CB-CE2 4.1Å |
| 117 | K | 59.6 | Low | 60 | Low | 110 Ų | 110 | 93 Ų | 93 | 48% | 0.478 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 138.8 | 173.9 | -81.4 | -130.6 | 178.7 | -177 | 0 | 111.5 | I115 K119 R120 I122 E127 | I115-K117 HydrophobicContact CG2-CG 4.29Å; I115-K117 PolarHBondContact O-N 3.33Å; K117-K119 PolarHBondContact O-N 3.23Å; K117-R120 PolarHBondContact N-O 3.22Å; K117-R120 PolarHBondContact O-N 3.32Å; K117-R120 VanDerWaalsContact O-N 3.14Å; K117-I122 HydrophobicContact CB-CD1 4.1Å; K117-E127 WeakPolarHBondContact CD-OE1 3.01Å; K117-E127 WeakPolarHBondContact CG-OE1 3.32Å |
| 118 | H | 63.6 | Low | 60 | Low | 170 Ų | 170 | 90.3 Ų | 90.3 | 79% | 0.787 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 41.8 | 177.3 | -59.1 | 96.2 | 0 | 0 | 0 | 115.2 | R120 | H118-R120 PolarHBondContact O-N 3.14Å; H118-R120 VanDerWaalsContact O-N 3.14Å |
| 119 | K | 61.8 | Low | 59.8 | Low | 186 Ų | 186 | 92.6 Ų | 92.6 | 81% | 0.809 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 19.7 | -178.7 | -49.8 | -177.2 | -175.8 | -175.6 | 0 | 114.1 | K117 | K117-K119 PolarHBondContact O-N 3.23Š|
| 120 | R | 63.5 | Low | 59.4 | Low | 199 Ų | 199 | 96.1 Ų | 96.1 | 75% | 0.751 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 153.9 | 176.8 | -67.8 | -173.7 | 174.2 | 139.9 | -1 | 109.8 | K117 H118 | K117-R120 PolarHBondContact N-O 3.22Å; K117-R120 PolarHBondContact O-N 3.32Å; K117-R120 VanDerWaalsContact O-N 3.14Å; H118-R120 PolarHBondContact O-N 3.14Å; H118-R120 VanDerWaalsContact O-N 3.14Å |
| 121 | C | 65.6 | Low | 59.4 | Low | 47 Ų | 47 | 98.8 Ų | 98.8 | 32% | 0.318 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 119.8 | 174.4 | -65.6 | 0 | 0 | 0 | 0 | 109.7 | A109 C110 F114 | A109-C121 PolarHBondContact O-SG 3.2Å; C110-C121 WeakPolarHBondContact CA-SG 3.38Å; C110-C121 HydrophobicContact CB-CB 3.67Å; C110-C121 WeakPolarHBondContact CB-SG 3.44Å; C110-C121 WeakPolarHBondContact SG-CA 3.36Å; C110-C121 WeakPolarHBondContact SG-CB 2.95Å; C110-C121 CovalentContact SG-SG 2.03Å; C110-C121 PolarHBondContact SG-SG 2.03Å; F114-C121 HydrophobicContact CB-CB 4.34Å; F114-C121 HydrophobicContact CD1-CB 4.35Å |
| 122 | I | 60.5 | Low | 59 | Low | 46 Ų | 46 | 97.6 Ų | 97.6 | 24% | 0.236 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 131.6 | 179.4 | -54.7 | 179.4 | 0 | 0 | 0 | 107.2 | F114 I115 K117 A124 L126 E127 | F114-I122 CarbonylContact C-O 3.48Å; F114-I122 WeakPolarHBondContact CA-O 3.44Å; F114-I122 WeakPolarHBondContact CB-O 3.46Å; F114-I122 VanDerWaalsContact CD1-C 3.42Å; I115-I122 PolarHBondContact N-O 2.91Å; I115-I122 PolarHBondContact O-N 3.45Å; I115-I122 VanDerWaalsContact O-N 3.1Å; K117-I122 HydrophobicContact CB-CD1 4.1Å; I122-A124 PolarHBondContact O-N 2.84Å; I122-L126 HydrophobicContact CG2-CB 4.44Å; I122-L126 HydrophobicContact CG2-CD2 4.15Å; I122-E127 HydrophobicContact CG2-CG 4.15Å |
| 123 | P | 63.4 | Low | 58.7 | Low | 37 Ų | 37 | 94.4 Ų | 94.4 | 24% | 0.24 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 129.9 | 178.2 | 18.7 | -23.2 | 0 | 0 | 0 | 109.6 | G113 F114 S125 L126 E127 | G113-P123 CarbonylContact O-C 3.59Å; G113-P123 WeakPolarHBondContact O-CA 3.3Å; F114-P123 HydrophobicContact CD1-CB 3.73Å; F114-P123 HydrophobicContact CD1-CG 4.14Å; F114-P123 HydrophobicContact CE1-CB 3.48Å; F114-P123 VanDerWaalsContact CE1-CB 3.48Å; F114-P123 VanDerWaalsContact CE1-CD 3.49Å; F114-P123 HydrophobicContact CE1-CG 3.71Å; F114-P123 HydrophobicContact CE2-CB 4.31Å; F114-P123 HydrophobicContact CG-CB 4.22Å; F114-P123 HydrophobicContact CZ-CB 3.8Å; F114-P123 HydrophobicContact CZ-CG 4.32Å; P123-S125 PolarHBondContact O-N 3.42Å; P123-L126 HydrophobicContact CG-CB 3.93Å; P123-L126 WeakPolarHBondContact O-CB 3.49Å; P123-L126 PolarHBondContact O-N 3.1Å; P123-E127 PolarHBondContact O-N 3.19Å |
| 124 | A | 62.6 | Low | 58.1 | Low | 37 Ų | 37 | 98.2 Ų | 98.2 | 31% | 0.306 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -55.8 | -23.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G113 I115 I122 L126 A128 | G113-A124 VanDerWaalsContact O-CB 3.3Å; G113-A124 WeakPolarHBondContact O-CB 3.43Å; G113-A124 PolarHBondContact O-N 3.05Å; I115-A124 HydrophobicContact CD1-CB 3.96Å; I115-A124 HydrophobicContact CG1-CB 3.96Å; I122-A124 PolarHBondContact O-N 2.84Å; A124-L126 VanDerWaalsContact C-N 3.35Å; A124-A128 PolarHBondContact O-N 3.05Å |
| 125 | S | 58.6 | Low | 57.5 | Low | 91 Ų | 91 | 98.2 Ų | 98.2 | 64% | 0.636 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70.5 | -26.9 | 172.9 | 60.1 | 0 | 0 | 0 | 0 | 113.7 | P123 | P123-S125 PolarHBondContact O-N 3.42Å |
| 126 | L | 57.2 | Low | 56.6 | Low | 79 Ų | 79 | 98.9 Ų | 98.9 | 41% | 0.414 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -84.9 | -36.2 | 179.5 | -168.8 | 78.3 | 0 | 0 | 0 | 111.7 | I122 P123 A124 Y129 Y130 | I122-L126 HydrophobicContact CG2-CB 4.44Å; I122-L126 HydrophobicContact CG2-CD2 4.15Å; P123-L126 HydrophobicContact CG-CB 3.93Å; P123-L126 WeakPolarHBondContact O-CB 3.49Å; P123-L126 PolarHBondContact O-N 3.1Å; A124-L126 VanDerWaalsContact C-N 3.35Å; L126-Y129 PolarHBondContact O-N 3.42Å; L126-Y130 HydrophobicContact CD1-CD2 3.96Å; L126-Y130 HydrophobicContact CD1-CE2 4.06Å; L126-Y130 HydrophobicContact CG-CD2 3.92Å; L126-Y130 HydrophobicContact CG-CE2 4.36Å; L126-Y130 WeakPolarHBondContact O-CB 3Å; L126-Y130 PolarHBondContact O-N 3.14Å |
| 127 | E | 56.3 | Low | 55.7 | Low | 46 Ų | 46 | 97.1 Ų | 97.1 | 22% | 0.215 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -67.3 | -34.4 | 176.1 | -93.6 | 164.7 | 127.1 | 0 | 0 | 112.4 | I115 K117 I122 P123 Y129 A131 | I115-E127 WeakPolarHBondContact CB-OE2 3.07Å; K117-E127 WeakPolarHBondContact CD-OE1 3.01Å; K117-E127 WeakPolarHBondContact CG-OE1 3.32Å; I122-E127 HydrophobicContact CG2-CG 4.15Å; P123-E127 PolarHBondContact O-N 3.19Å; E127-Y129 VanDerWaalsContact C-N 3.34Å; E127-A131 WeakPolarHBondContact O-CB 3.47Å; E127-A131 PolarHBondContact O-N 2.82Å |
| 128 | A | 57.5 | Low | 55.3 | Low | 68 Ų | 68 | 103.3 Ų | 103.3 | 56% | 0.562 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.8 | -36.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A124 A132 | A124-A128 PolarHBondContact O-N 3.05Å; A128-A132 WeakPolarHBondContact O-CB 3.16Å; A128-A132 PolarHBondContact O-N 3.32Å |
| 129 | Y | 49.4 | Very low | 54.7 | Low | 158 Ų | 158 | 96.4 Ų | 96.4 | 62% | 0.62 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -74.6 | -40.4 | 178.9 | -123.5 | -92.7 | 0 | 0 | 0 | 112.6 | L126 E127 Q133 | L126-Y129 PolarHBondContact O-N 3.42Å; E127-Y129 VanDerWaalsContact C-N 3.34Å; Y129-Q133 VanDerWaalsContact O-CB 3.31Å; Y129-Q133 WeakPolarHBondContact O-CB 3.39Å; Y129-Q133 PolarHBondContact O-N 3.46Å; Y129-Q133 VanDerWaalsContact O-N 3.1Å |
| 130 | Y | 48.8 | Very low | 54.1 | Low | 130 Ų | 130 | 98 Ų | 98 | 51% | 0.51 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -80.7 | -37.1 | 178.6 | -98.8 | -92.3 | 0 | 0 | 0 | 113.3 | L126 A132 Q133 D134 | L126-Y130 HydrophobicContact CD1-CD2 3.96Å; L126-Y130 HydrophobicContact CD1-CE2 4.06Å; L126-Y130 HydrophobicContact CG-CD2 3.92Å; L126-Y130 HydrophobicContact CG-CE2 4.36Å; L126-Y130 WeakPolarHBondContact O-CB 3Å; L126-Y130 PolarHBondContact O-N 3.14Å; Y130-A132 VanDerWaalsContact C-N 3.29Å; Y130-A132 PolarHBondContact O-N 3.1Å; Y130-Q133 CarbonylContact O-C 3.48Å; Y130-Q133 WeakPolarHBondContact O-CA 3.39Å; Y130-Q133 WeakPolarHBondContact O-CB 3.38Å; Y130-Q133 PolarHBondContact O-N 2.81Å; Y130-D134 PolarHBondContact O-N 2.95Å |
| 131 | A | 53.8 | Low | 53.6 | Low | 65 Ų | 65 | 96.5 Ų | 96.5 | 54% | 0.537 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.3 | -33.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | E127 Q133 A135 | E127-A131 WeakPolarHBondContact O-CB 3.47Å; E127-A131 PolarHBondContact O-N 2.82Å; A131-Q133 VanDerWaalsContact C-N 3.3Å; A131-A135 PolarHBondContact O-N 2.82Å |
| 132 | A | 49.6 | Very low | 52.7 | Low | 57 Ų | 57 | 103.8 Ų | 103.8 | 47% | 0.471 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.2 | -36.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A128 Y130 N136 | A128-A132 WeakPolarHBondContact O-CB 3.16Å; A128-A132 PolarHBondContact O-N 3.32Å; Y130-A132 VanDerWaalsContact C-N 3.29Å; Y130-A132 PolarHBondContact O-N 3.1Å; A132-N136 WeakPolarHBondContact O-CB 3.31Å; A132-N136 PolarHBondContact O-N 3.2Å |
| 133 | Q | 49.6 | Very low | 52.5 | Low | 104 Ų | 104 | 107.8 Ų | 107.8 | 49% | 0.486 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -74.6 | -34.1 | -178.8 | -163.3 | 174.1 | -21.8 | 0 | 0 | 113.9 | Y129 Y130 A131 N136 S137 | Y129-Q133 VanDerWaalsContact O-CB 3.31Å; Y129-Q133 WeakPolarHBondContact O-CB 3.39Å; Y129-Q133 PolarHBondContact O-N 3.46Å; Y129-Q133 VanDerWaalsContact O-N 3.1Å; Y130-Q133 CarbonylContact O-C 3.48Å; Y130-Q133 WeakPolarHBondContact O-CA 3.39Å; Y130-Q133 WeakPolarHBondContact O-CB 3.38Å; Y130-Q133 PolarHBondContact O-N 2.81Å; A131-Q133 VanDerWaalsContact C-N 3.3Å; Q133-N136 CarbonylContact O-C 3.34Å; Q133-N136 PolarHBondContact O-N 3.18Å; Q133-N136 VanDerWaalsContact O-N 3.12Å; Q133-S137 PolarHBondContact O-N 3.36Å |
| 134 | D | 47.7 | Very low | 52 | Low | 124 Ų | 124 | 110.5 Ų | 110.5 | 66% | 0.663 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.8 | -35.4 | 174.4 | -79.2 | -43.1 | 0 | 0 | 0 | 111.5 | Y130 N136 S137 | Y130-D134 PolarHBondContact O-N 2.95Å; D134-N136 VanDerWaalsContact C-N 3.34Å; D134-S137 PolarHBondContact O-OG 2.87Å |
| 135 | A | 47.3 | Very low | 51.8 | Low | 87 Ų | 87 | 116 Ų | 116 | 72% | 0.719 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -72.1 | -26.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A131 | A131-A135 PolarHBondContact O-N 2.82Å |
| 136 | N | 47.3 | Very low | 51.6 | Low | 94 Ų | 94 | 115.5 Ų | 115.5 | 50% | 0.503 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -103.9 | 10.4 | -174.2 | -161 | 46.2 | 0 | 0 | 0 | 114.9 | A132 Q133 D134 R138 G139 | A132-N136 WeakPolarHBondContact O-CB 3.31Å; A132-N136 PolarHBondContact O-N 3.2Å; Q133-N136 CarbonylContact O-C 3.34Å; Q133-N136 PolarHBondContact O-N 3.18Å; Q133-N136 VanDerWaalsContact O-N 3.12Å; D134-N136 VanDerWaalsContact C-N 3.34Å; N136-R138 PolarHBondContact O-N 3.21Å; N136-G139 PolarHBondContact ND2-O 3.12Å; N136-G139 PolarHBondContact O-N 2.84Å; N136-G139 PolarHBondContact OD1-O 2.91Å |
| 137 | S | 46.4 | Very low | 51.3 | Low | 104 Ų | 104 | 120.5 Ų | 120.5 | 73% | 0.727 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -2.9 | 168.9 | 60.4 | 0 | 0 | 0 | 0 | 113.5 | Q133 D134 | Q133-S137 PolarHBondContact O-N 3.36Å; D134-S137 PolarHBondContact O-OG 2.87Å |
| 138 | R | 51.7 | Low | 50.9 | Low | 240 Ų | 240 | 129.2 Ų | 129.2 | 91% | 0.906 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | 2.6 | 179.9 | -137.6 | 177.4 | 177.6 | 95.5 | 0.4 | 115.6 | N136 | N136-R138 PolarHBondContact O-N 3.21Š|
| 139 | G | 49.5 | Very low | 50.5 | Low | 26 Ų | 26 | 130.1 Ų | 130.1 | 27% | 0.268 | 66% | 0.658 | S | S | . | * | S | Bend | trans | -166.9 | 95.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | N136 | N136-G139 PolarHBondContact ND2-O 3.12Å; N136-G139 PolarHBondContact O-N 2.84Å; N136-G139 PolarHBondContact OD1-O 2.91Å |
| 140 | R | 50.8 | Low | 50.5 | Low | 220 Ų | 220 | 131 Ų | 131 | 83% | 0.83 | 67% | 0.67 | S | S | * | * | 67 | 103 | 129.3 | -67.8 | -170 | -177.6 | -165.8 | 0.8 | 118.2 | |||||
| 141 | F | 52.8 | Low | 50.6 | Low | 166 Ų | 166 | 129.4 Ų | 129.4 | 73% | 0.728 | 68% | 0.684 | S | S | * | * | trans | 65 | 140.5 | 133.4 | -54.4 | -75.6 | 0 | 0 | 0 | 120.8 | ||||
| 142 | Y | 45.4 | Very low | 50.3 | Low | 201 Ų | 201 | 135.3 Ų | 135.3 | 79% | 0.788 | 70% | 0.697 | S | S | * | * | trans | 88.4 | 84.2 | 163.3 | -49.8 | -70.8 | 0 | 0 | 0 | 117.8 | V144 | Y142-V144 PolarHBondContact O-N 3.28Š| ||
| 143 | T | 57.8 | Low | 50 | Low | 130 Ų | 130 | 141.1 Ų | 141.1 | 80% | 0.798 | 72% | 0.715 | S | S | * | * | trans | -32 | 107.2 | 139.6 | 20 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 144 | V | 52.8 | Low | 50 | Low | 93 Ų | 93 | 142.4 Ų | 142.4 | 56% | 0.564 | 73% | 0.73 | S | S | * | * | trans | -101.2 | 88.7 | 159.1 | 176.1 | 0 | 0 | 0 | 0 | 108 | Y142 S146 | Y142-V144 PolarHBondContact O-N 3.28Å; V144-S146 PolarHBondContact O-N 3.47Å | ||
| 145 | I | 57.8 | Low | 50 | Low | 154 Ų | 154 | 142 Ų | 142 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | trans | -73.2 | 82.9 | 151 | -69.8 | 155.9 | 0 | 0 | 0 | 105.4 | ||||
| 146 | S | 54 | Low | 49.5 | Very low | 79 Ų | 79 | 142.9 Ų | 142.9 | 55% | 0.552 | 73% | 0.733 | S | S | * | * | trans | -148 | 97.2 | 165.4 | -71.4 | 0 | 0 | 0 | 0 | 104.1 | V144 | V144-S146 PolarHBondContact O-N 3.47Š| ||
| 147 | H | 52 | Low | 49.7 | Very low | 184 Ų | 184 | 147.6 Ų | 147.6 | 85% | 0.852 | 75% | 0.752 | S | S | * | * | S | Bend | -168.3 | 15.1 | 90.5 | -105.1 | -89.8 | 0 | 0 | 0 | 113.8 | |||
| 148 | Y | 47.7 | Very low | 49.5 | Very low | 229 Ų | 229 | 148.2 Ų | 148.2 | 90% | 0.898 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -98 | -3.4 | -171.2 | -153.9 | -103.4 | 0 | 0 | 0 | 116 | ||
| 149 | S | 48.2 | Very low | 49.1 | Very low | 87 Ų | 87 | 143.3 Ų | 143.3 | 61% | 0.608 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -97.3 | -12.6 | -176 | -175.7 | 0 | 0 | 0 | 0 | 115.7 | ||
| 150 | M | 49.4 | Very low | 48.8 | Very low | 176 Ų | 176 | 147.3 Ų | 147.3 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -101.3 | 4.7 | -167.5 | -66.9 | -69.1 | 106.6 | 0 | 0 | 115.2 | ||
| 151 | A | 51.2 | Low | 49 | Very low | 97 Ų | 97 | 141.8 Ų | 141.8 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -115.5 | -1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 152 | K | 48.3 | Very low | 48.6 | Very low | 189 Ų | 189 | 144.7 Ų | 144.7 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -149 | 41.3 | -172 | -130.8 | -170.6 | -180 | -158 | 0 | 117.1 | ||
| 153 | Q | 42.8 | Very low | 48.3 | Very low | 179 Ų | 179 | 143.3 Ų | 143.3 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | -147.2 | 67.7 | 161.3 | -111.8 | 174.3 | 21.8 | 0 | 0 | 111.3 | ||||
| 154 | T | 48.7 | Very low | 47.8 | Very low | 132 Ų | 132 | 142.8 Ų | 142.8 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | -63.5 | 133.5 | 142.8 | 166.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 155 | T | 48.4 | Very low | 47.3 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | S | Bend | trans | 65 | 99.2 | 171.9 | -147 | 0 | 0 | 0 | 0 | 117.4 | ||
| 156 | S | 37 | Very low | 46.6 | Very low | 107 Ų | 107 | 138.7 Ų | 138.7 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | 177.2 | 123.1 | 127 | -78.5 | 0 | 0 | 0 | 0 | 109.3 | S158 | S156-S158 PolarHBondContact O-N 3.18Š| |||
| 157 | H | 51.7 | Low | 46 | Very low | 193 Ų | 193 | 140.3 Ų | 140.3 | 89% | 0.894 | 81% | 0.812 | S | S | * | * | trans | -55.4 | 123.4 | 173.9 | -62.6 | -115.5 | 0 | 0 | 0 | 110.2 | ||||
| 158 | S | 41.3 | Very low | 45.2 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -158.2 | 144.5 | 150.4 | 72.1 | 0 | 0 | 0 | 0 | 111 | S156 | S156-S158 PolarHBondContact O-N 3.18Š| ||
| 159 | V | 43 | Very low | 44.7 | Very low | 136 Ų | 136 | 129 Ų | 129 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -88.3 | 136.2 | -155.2 | -165.4 | 0 | 0 | 0 | 0 | 109.8 | P161 | V159-P161 WeakPolarHBondContact O-CD 3.48Š| ||
| 160 | S | 43.4 | Very low | 44.1 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | -55.9 | 126.7 | 172.4 | -71.9 | 0 | 0 | 0 | 0 | 111.1 | W162 | S160-W162 PolarHBondContact O-N 3.43Š| ||
| 161 | P | 55.8 | Low | 43.3 | Very low | 104 Ų | 104 | 133 Ų | 133 | 68% | 0.675 | 81% | 0.812 | S | S | * | * | trans | -79.9 | -7.9 | -172.2 | -18.9 | 33.3 | 0 | 0 | 0 | 117 | V159 | V159-P161 WeakPolarHBondContact O-CD 3.48Š| ||
| 162 | W | 43.3 | Very low | 42.8 | Very low | 227 Ų | 227 | 133 Ų | 133 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -152.9 | 108.5 | -175.3 | -58.1 | 97.4 | 0 | 0 | 0 | 113 | S160 | S160-W162 PolarHBondContact O-N 3.43Š| ||
| 163 | L | 40.5 | Very low | 42.2 | Very low | 172 Ų | 172 | 133.4 Ų | 133.4 | 90% | 0.901 | 81% | 0.813 | S | S | * | * | 175.5 | 140.9 | 126.5 | -89.5 | 150.9 | 0 | 0 | 0 | 110.9 | |||||
| 164 | P | 47.1 | Very low | 42.3 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | trans | -91.9 | 147.3 | -179.5 | 35.7 | -29.4 | 0 | 0 | 0 | 112 | ||||
| 165 | G | 42 | Very low | 42.7 | Very low | 84 Ų | 84 | 129.4 Ų | 129.4 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | 81.9 | 115.6 | 147 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 166 | G | 42.4 | Very low | 42.2 | Very low | 78 Ų | 78 | 130.3 Ų | 130.3 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | 124.2 | 115.9 | 137.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 167 | A | 42.4 | Very low | 42.3 | Very low | 112 Ų | 112 | 128.9 Ų | 128.9 | 93% | 0.926 | 82% | 0.818 | S | S | * | * | trans | 76.8 | 93.4 | 154.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 168 | A | 35.5 | Very low | 41.9 | Very low | 104 Ų | 104 | 129.3 Ų | 129.3 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | trans | -131.7 | 115.6 | 151 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 169 | G | 36.3 | Very low | 41.9 | Very low | 72 Ų | 72 | 126.9 Ų | 126.9 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | trans | 76.4 | 152.8 | 152.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 170 | H | 35.1 | Very low | 41.6 | Very low | 178 Ų | 178 | 133.3 Ų | 133.3 | 82% | 0.824 | 83% | 0.834 | S | S | * | * | cis | -169.1 | 165.9 | -0.1 | -148.3 | -116.6 | 0 | 0 | 0 | 106.1 | ||||
| 171 | E | 34.1 | Very low | 41.5 | Very low | 170 Ų | 170 | 134.5 Ų | 134.5 | 79% | 0.794 | 84% | 0.837 | S | S | * | * | trans | 91.7 | 98.5 | 146.1 | -148.5 | 169.2 | 119.9 | 0 | 0 | 121.1 | ||||
| 172 | A | 39.9 | Very low | 40.7 | Very low | 95 Ų | 95 | 136.1 Ų | 136.1 | 79% | 0.785 | 85% | 0.845 | S | S | * | * | 59.3 | 139.6 | 120.6 | 0 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 173 | K | 34.8 | Very low | 40.6 | Very low | 199 Ų | 199 | 131 Ų | 131 | 87% | 0.865 | 84% | 0.844 | S | S | * | * | trans | 109.1 | 154.9 | 148.4 | -129.1 | -164.7 | 168.4 | 170.5 | 0 | 116.9 | ||||
| 174 | P | 46.4 | Very low | 40.6 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 66% | 0.662 | 84% | 0.841 | S | S | * | * | -119.6 | -171.6 | -86.7 | 45.9 | -31.1 | 0 | 0 | 0 | 111.5 | |||||
| 175 | P | 55.7 | Low | 40.2 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 81% | 0.812 | 85% | 0.846 | S | S | * | * | trans | -87.2 | 145.5 | -160 | 36.3 | -31.9 | 0 | 0 | 0 | 113.1 | ||||
| 176 | S | 38.9 | Very low | 40.1 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 93% | 0.93 | 84% | 0.844 | S | S | * | * | trans | -158.7 | 132.7 | 159.7 | -165.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 177 | G | 38.8 | Very low | 39.9 | Very low | 76 Ų | 76 | 136.1 Ų | 136.1 | 78% | 0.784 | 85% | 0.847 | S | S | * | * | trans | 139.4 | 67.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 178 | E | 43.3 | Very low | 39.7 | Very low | 203 Ų | 203 | 138 Ų | 138 | 95% | 0.949 | 84% | 0.841 | S | S | * | * | trans | -62.9 | 146.4 | 155.5 | -170 | 172.5 | 108.6 | 0 | 0 | 110.1 | ||||
| 179 | G | 42.3 | Very low | 40.1 | Very low | 65 Ų | 65 | 140.8 Ų | 140.8 | 67% | 0.67 | 84% | 0.84 | S | S | * | * | trans | 124.2 | 117.6 | 145.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 180 | H | 35.2 | Very low | 40.4 | Very low | 272 Ų | 272 | 147.1 Ų | 147.1 | 100% | 1.259 | 85% | 0.849 | S | S | * | * | trans | 89.4 | 0 | 152.7 | -74.5 | -125.5 | 0 | 0 | 0 | 118.9 |
Retrieved 180 of 180 residues in 262 ms
(Link to these results)