| 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 | 55.4 | Low | 49.6 | Very low | 227 Ų | 227 | 145.5 Ų | 145.5 | 100% | 1.118 | 81% | 0.81 | S | S | * | * | 0 | 92.1 | 0 | -67.6 | 177.2 | -179.9 | 0 | 0 | 106.1 | |||||
| 2 | I | 42.1 | Very low | 49.5 | Very low | 144 Ų | 144 | 148.1 Ų | 148.1 | 74% | 0.738 | 82% | 0.822 | S | S | * | * | 73.7 | 90.9 | 94.6 | -57.4 | 157.2 | 0 | 0 | 0 | 109.7 | |||||
| 3 | T | 42.5 | Very low | 49.2 | Very low | 106 Ų | 106 | 146.3 Ų | 146.3 | 65% | 0.65 | 82% | 0.818 | S | S | * | * | 78.2 | 150.2 | 118.6 | 63.6 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 4 | Q | 46.2 | Very low | 49.2 | Very low | 159 Ų | 159 | 143 Ų | 143 | 74% | 0.743 | 82% | 0.818 | S | S | * | * | cis | -171.5 | 157 | 4.1 | -111.2 | 165.6 | 54 | 0 | 0 | 106.7 | ||||
| 5 | S | 53.5 | Low | 48.7 | Very low | 94 Ų | 94 | 140.7 Ų | 140.7 | 66% | 0.657 | 81% | 0.81 | S | S | * | * | trans | 33.3 | 131.9 | 135.9 | -36.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 6 | T | 55.1 | Low | 47.9 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | 172.7 | 148.9 | 70.1 | 38.4 | 0 | 0 | 0 | 0 | 105.4 | |||||
| 7 | G | 51.6 | Low | 47.6 | Very low | 77 Ų | 77 | 142.6 Ų | 142.6 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | 158 | 151.6 | 54.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 8 | I | 48.9 | Very low | 47.1 | Very low | 164 Ų | 164 | 140.3 Ų | 140.3 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | trans | -95 | 135.7 | 178.4 | -66.3 | 157.5 | 0 | 0 | 0 | 108.2 | ||||
| 9 | Q | 54 | Low | 46.7 | Very low | 186 Ų | 186 | 139.3 Ų | 139.3 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | -159.8 | 110 | 150.1 | -115.7 | 152.6 | 22.2 | 0 | 0 | 113.1 | ||||
| 10 | T | 47.5 | Very low | 46.3 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | -4.6 | 131.4 | 149.3 | 54 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 11 | M | 49 | Very low | 46.3 | Very low | 177 Ų | 177 | 140 Ų | 140 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | -163.6 | 92.4 | 137.3 | -62.1 | -163.6 | 94.2 | 0 | 0 | 108.7 | ||||
| 12 | D | 48.4 | Very low | 45.5 | Very low | 177 Ų | 177 | 136.3 Ų | 136.3 | 95% | 0.947 | 79% | 0.785 | S | S | * | * | trans | -121.5 | 84.3 | 162.5 | -94.7 | -33.7 | 0 | 0 | 0 | 108.2 | ||||
| 13 | T | 45 | Very low | 45.6 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | trans | -116.5 | 109.5 | 168.9 | -45.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 14 | A | 50.1 | Low | 45.5 | Very low | 100 Ų | 100 | 138.4 Ų | 138.4 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -145.1 | 105 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 15 | P | 41 | Very low | 45.3 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | -96 | 163.1 | 168.7 | 36.9 | -28.4 | 0 | 0 | 0 | 111.3 | ||||
| 16 | E | 36.2 | Very low | 45 | Very low | 177 Ų | 177 | 140.8 Ų | 140.8 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | 79.9 | 87.5 | 161.2 | -49 | -144.5 | 141.6 | 0 | 0 | 118.1 | ||||
| 17 | V | 42.3 | Very low | 44.3 | Very low | 137 Ų | 137 | 142.2 Ų | 142.2 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | trans | -96.4 | 102.3 | 152.9 | 179.5 | 0 | 0 | 0 | 0 | 107.6 | V19 | V17-V19 PolarHBondContact O-N 3.33Š| ||
| 18 | S | 38.2 | Very low | 44.5 | Very low | 101 Ų | 101 | 143.6 Ų | 143.6 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -57.4 | 114 | 168.1 | -60.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 19 | V | 40.8 | Very low | 44.1 | Very low | 122 Ų | 122 | 144.8 Ų | 144.8 | 74% | 0.739 | 80% | 0.796 | S | S | * | * | trans | -90.6 | 105.5 | 173.9 | -107.2 | 0 | 0 | 0 | 0 | 109 | V17 | V17-V19 PolarHBondContact O-N 3.33Š| ||
| 20 | Q | 38.8 | Very low | 43.8 | Very low | 170 Ų | 170 | 144.3 Ų | 144.3 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | -84.2 | 111.5 | 159.9 | -76.7 | 147.1 | -19.9 | 0 | 0 | 107.2 | ||||
| 21 | V | 45.8 | Very low | 43.6 | Very low | 124 Ų | 124 | 143.5 Ų | 143.5 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | -96.6 | 96.9 | 170.9 | -172.1 | 0 | 0 | 0 | 0 | 106.3 | L23 | V21-L23 PolarHBondContact O-N 2.85Š| ||
| 22 | D | 38.8 | Very low | 43.3 | Very low | 148 Ų | 148 | 144.8 Ų | 144.8 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -71.9 | 94.7 | 173.9 | -71.9 | -40 | 0 | 0 | 0 | 109.3 | ||||
| 23 | L | 43.2 | Very low | 43.2 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | -105.8 | 78.2 | 169 | -167 | 71.1 | 0 | 0 | 0 | 108.4 | V21 | V21-L23 PolarHBondContact O-N 2.85Š| ||
| 24 | L | 40.8 | Very low | 43.3 | Very low | 151 Ų | 151 | 141 Ų | 141 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | -127.7 | 133.3 | 170.5 | -75.7 | 174.1 | 0 | 0 | 0 | 110.4 | ||||
| 25 | T | 41.4 | Very low | 43.3 | Very low | 105 Ų | 105 | 144.4 Ų | 144.4 | 64% | 0.644 | 77% | 0.773 | S | S | * | * | trans | 90.4 | 78.8 | 156.2 | -26 | 0 | 0 | 0 | 0 | 116.7 | Q27 | T25-Q27 HydrophobicContact CG2-CB 4.42Å; T25-Q27 HydrophobicContact CG2-CG 4.31Å | ||
| 26 | Q | 47.9 | Very low | 43.3 | Very low | 199 Ų | 199 | 148.3 Ų | 148.3 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | -118 | 75.7 | 130 | -81.5 | 173.2 | 72.5 | 0 | 0 | 107.6 | S28 | Q26-S28 PolarHBondContact O-N 3.17Š| |||
| 27 | Q | 40.9 | Very low | 43.9 | Very low | 175 Ų | 175 | 150 Ų | 150 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -68 | 110.1 | 152 | -69.7 | 174.6 | 13.8 | 0 | 0 | 105.9 | T25 | T25-Q27 HydrophobicContact CG2-CB 4.42Å; T25-Q27 HydrophobicContact CG2-CG 4.31Å | ||
| 28 | S | 54.7 | Low | 44.3 | Very low | 106 Ų | 106 | 148 Ų | 148 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | -124.8 | 111.3 | 154 | 60.5 | 0 | 0 | 0 | 0 | 106.6 | Q26 F30 | Q26-S28 PolarHBondContact O-N 3.17Å; S28-F30 PolarHBondContact O-N 2.79Å | ||
| 29 | E | 41.9 | Very low | 45.2 | Very low | 189 Ų | 189 | 150.2 Ų | 150.2 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | -48.5 | 121.3 | 178.7 | -62 | 158.6 | 132.1 | 0 | 0 | 110.7 | ||||
| 30 | F | 47.6 | Very low | 45.3 | Very low | 177 Ų | 177 | 151 Ų | 151 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -120 | 107.1 | 163.3 | -144.9 | -95 | 0 | 0 | 0 | 108.3 | S28 D34 | S28-F30 PolarHBondContact O-N 2.79Å; F30-D34 VanDerWaalsContact CE1-OD2 3.27Å; F30-D34 WeakPolarHBondContact CE1-OD2 2.93Å | ||
| 31 | T | 42.1 | Very low | 45.6 | Very low | 103 Ų | 103 | 150.2 Ų | 150.2 | 63% | 0.632 | 77% | 0.77 | S | S | * | * | trans | -66.5 | 142.1 | -177.3 | 45.7 | 0 | 0 | 0 | 0 | 111 | T33 | T31-T33 VanDerWaalsContact C-N 3.3Å; T31-T33 PolarHBondContact O-N 2.76Å | ||
| 32 | Q | 44.1 | Very low | 45.7 | Very low | 203 Ų | 203 | 149.4 Ų | 149.4 | 95% | 0.949 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -67.8 | 78.9 | 176.6 | -172 | 177.1 | 10.8 | 0 | 0 | 110.6 | ||
| 33 | T | 45 | Very low | 46.3 | Very low | 104 Ų | 104 | 148.1 Ų | 148.1 | 64% | 0.638 | 76% | 0.755 | S | S | * | * | trans | -142.4 | -2.1 | 176.8 | 48.1 | 0 | 0 | 0 | 0 | 116.7 | T31 L35 | T31-T33 VanDerWaalsContact C-N 3.3Å; T31-T33 PolarHBondContact O-N 2.76Å; T33-L35 PolarHBondContact O-N 3.05Å | ||
| 34 | D | 48.4 | Very low | 46.2 | Very low | 120 Ų | 120 | 146.7 Ų | 146.7 | 64% | 0.642 | 75% | 0.748 | S | S | * | * | trans | -100 | 26.3 | -171.3 | -66.3 | -4.8 | 0 | 0 | 0 | 115 | F30 | F30-D34 VanDerWaalsContact CE1-OD2 3.27Å; F30-D34 WeakPolarHBondContact CE1-OD2 2.93Å | ||
| 35 | L | 50 | Low | 46.7 | Very low | 171 Ų | 171 | 147 Ų | 147 | 90% | 0.895 | 75% | 0.75 | S | S | * | * | trans | -103.6 | 65.8 | 169.6 | -69.9 | 176.8 | 0 | 0 | 0 | 110.6 | T33 | T33-L35 PolarHBondContact O-N 3.05Š| ||
| 36 | E | 41.2 | Very low | 47 | Very low | 190 Ų | 190 | 148.8 Ų | 148.8 | 89% | 0.888 | 76% | 0.756 | S | S | * | * | trans | -166.2 | 99.2 | 168.1 | -110.1 | 164.6 | -152 | 0 | 0 | 111.9 | ||||
| 37 | Y | 48.3 | Very low | 47.1 | Very low | 212 Ų | 212 | 144.7 Ų | 144.7 | 83% | 0.831 | 75% | 0.75 | S | S | * | * | trans | -172.8 | 120.5 | 162.3 | -162.5 | -103.6 | 0 | 0 | 0 | 107.4 | ||||
| 38 | D | 50.8 | Low | 47.7 | Very low | 94 Ų | 94 | 140.5 Ų | 140.5 | 50% | 0.503 | 74% | 0.74 | S | S | . | * | cis | -155.9 | 130.2 | 4.2 | -104.6 | -8.6 | 0 | 0 | 0 | 106.7 | ||||
| 39 | I | 55.6 | Low | 47.5 | Very low | 148 Ų | 148 | 140.8 Ų | 140.8 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | 59.8 | 96.5 | 98.3 | -55.1 | 176.9 | 0 | 0 | 0 | 116.5 | |||||
| 40 | N | 44 | Very low | 47.8 | Very low | 140 Ų | 140 | 137.5 Ų | 137.5 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | 30.3 | 117.7 | 121.8 | -169.3 | 18.1 | 0 | 0 | 0 | 120.8 | |||||
| 41 | N | 45.1 | Very low | 47.7 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | trans | -164.2 | 92.5 | 144.9 | -163 | 30.1 | 0 | 0 | 0 | 110.1 | ||||
| 42 | N | 47.4 | Very low | 47.8 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 58% | 0.578 | 74% | 0.74 | S | S | * | * | 83.2 | 131.2 | 80.2 | -160 | 17.8 | 0 | 0 | 0 | 116.5 | |||||
| 43 | N | 51 | Low | 47.7 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 64% | 0.642 | 74% | 0.735 | S | S | * | * | trans | 69.7 | 112.2 | 154.6 | -79.8 | -26.6 | 0 | 0 | 0 | 119.7 | ||||
| 44 | N | 42.9 | Very low | 47.7 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 60% | 0.604 | 74% | 0.738 | S | S | * | * | 62.9 | 114 | 66.3 | -164.9 | 12.1 | 0 | 0 | 0 | 112.5 | |||||
| 45 | N | 51.3 | Low | 47.8 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | -170.9 | 121.3 | 128.8 | -86.9 | -25.6 | 0 | 0 | 0 | 112.5 | |||||
| 46 | N | 46.6 | Very low | 47.9 | Very low | 143 Ų | 143 | 134.1 Ų | 134.1 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | trans | -54.3 | 144.6 | 164.8 | -65.5 | -41.4 | 0 | 0 | 0 | 113.2 | ||||
| 47 | S | 50.2 | Low | 48.1 | Very low | 114 Ų | 114 | 134 Ų | 134 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | trans | 177.4 | 133.1 | 140.3 | -82.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 48 | S | 53.5 | Low | 48.2 | Very low | 87 Ų | 87 | 128.2 Ų | 128.2 | 61% | 0.608 | 73% | 0.729 | S | S | * | * | cis | -172.2 | 141.1 | 0.2 | -82.8 | 0 | 0 | 0 | 0 | 103.7 | ||||
| 49 | T | 49.7 | Very low | 48.1 | Very low | 111 Ų | 111 | 129.8 Ų | 129.8 | 68% | 0.681 | 75% | 0.748 | S | S | * | * | trans | 58.7 | 120 | 145.1 | 42.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 50 | T | 48.8 | Very low | 47.2 | Very low | 120 Ų | 120 | 125.2 Ų | 125.2 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 76.9 | 115.1 | 141 | 56.7 | 0 | 0 | 0 | 0 | 117.6 | ||
| 51 | T | 44.8 | Very low | 47.3 | Very low | 148 Ų | 148 | 125.8 Ų | 125.8 | 91% | 0.908 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 74.8 | 68 | -176 | 77.2 | 0 | 0 | 0 | 0 | 115.8 | ||
| 52 | I | 44.4 | Very low | 47.3 | Very low | 140 Ų | 140 | 125.9 Ų | 125.9 | 72% | 0.718 | 74% | 0.735 | S | S | * | * | trans | -147.4 | 117.3 | 179.9 | -39.4 | 169.5 | 0 | 0 | 0 | 109.3 | ||||
| 53 | D | 42.5 | Very low | 47.2 | Very low | 157 Ų | 157 | 125.9 Ų | 125.9 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | trans | -165.6 | 140.5 | 136.2 | -137.6 | -16 | 0 | 0 | 0 | 111.6 | ||||
| 54 | A | 45.2 | Very low | 47.3 | Very low | 86 Ų | 86 | 125 Ų | 125 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 81.1 | 55.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||
| 55 | T | 50.2 | Low | 48 | Very low | 140 Ų | 140 | 124 Ų | 124 | 86% | 0.859 | 73% | 0.732 | S | S | * | * | trans | -136.7 | 75.9 | 138.1 | 51.2 | 0 | 0 | 0 | 0 | 108.8 | E57 | T55-E57 PolarHBondContact O-N 3.01Š| ||
| 56 | I | 52.9 | Low | 48.4 | Very low | 136 Ų | 136 | 122.2 Ų | 122.2 | 70% | 0.697 | 72% | 0.722 | S | S | * | * | trans | -79.6 | 102.5 | 165.2 | -67.1 | 175.9 | 0 | 0 | 0 | 105.8 | S58 | I56-S58 VanDerWaalsContact CG2-N 3.34Å; I56-S58 WeakPolarHBondContact CG2-OG 3.3Å; I56-S58 PolarHBondContact O-N 3.06Å | ||
| 57 | E | 44.2 | Very low | 49.5 | Very low | 188 Ų | 188 | 119.8 Ų | 119.8 | 88% | 0.879 | 71% | 0.709 | S | S | * | * | trans | -69.9 | 65.9 | 155.9 | -70.2 | -175.9 | 174.2 | 0 | 0 | 108 | T55 S59 | T55-E57 PolarHBondContact O-N 3.01Å; E57-S59 PolarHBondContact O-N 2.91Å | ||
| 58 | S | 50.2 | Low | 50.8 | Low | 90 Ų | 90 | 117.8 Ų | 117.8 | 63% | 0.629 | 70% | 0.695 | S | S | * | * | trans | -77.3 | 89.2 | 155 | -79.1 | 0 | 0 | 0 | 0 | 104.6 | I56 G60 | I56-S58 VanDerWaalsContact CG2-N 3.34Å; I56-S58 WeakPolarHBondContact CG2-OG 3.3Å; I56-S58 PolarHBondContact O-N 3.06Å; S58-G60 PolarHBondContact O-N 3.15Å | ||
| 59 | S | 49.2 | Very low | 52.1 | Low | 127 Ų | 127 | 117 Ų | 117 | 89% | 0.888 | 68% | 0.684 | S | S | * | * | trans | -67.7 | 61.1 | 147.5 | -55.4 | 0 | 0 | 0 | 0 | 108.2 | E57 | E57-S59 PolarHBondContact O-N 2.91Š| ||
| 60 | G | 36.4 | Very low | 53.4 | Low | 52 Ų | 52 | 114 Ų | 114 | 54% | 0.536 | 67% | 0.668 | S | S | . | * | trans | -90.7 | 101.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 106 | S58 | S58-G60 PolarHBondContact O-N 3.15Š| ||
| 61 | H | 46 | Very low | 55.1 | Low | 153 Ų | 153 | 112.2 Ų | 112.2 | 71% | 0.708 | 66% | 0.656 | S | S | * | * | trans | -126.7 | 75.4 | 153.7 | -134.9 | -83.6 | 0 | 0 | 0 | 106.8 | D63 | H61-D63 IonicContact CE1-OD1 3.01Å; H61-D63 PolarHBondContact CE1-OD1 3.08Å; H61-D63 IonicContact CE1-OD2 3.15Å; H61-D63 PolarHBondContact CE1-OD2 3.3Å; H61-D63 IonicContact ND1-OD1 3.05Å; H61-D63 PolarHBondContact ND1-OD1 2.88Å; H61-D63 IonicContact ND1-OD2 2.76Å; H61-D63 PolarHBondContact ND1-OD2 3.12Å; H61-D63 PolarHBondContact O-N 3.4Å | ||
| 62 | L | 45 | Very low | 56.9 | Low | 154 Ų | 154 | 109.8 Ų | 109.8 | 81% | 0.806 | 64% | 0.638 | S | S | * | * | trans | -73 | 78.4 | 160.7 | -78.8 | 155.6 | 0 | 0 | 0 | 106.9 | N64 | L62-N64 PolarHBondContact O-N 2.8Š| ||
| 63 | D | 47.3 | Very low | 58.8 | Low | 107 Ų | 107 | 105.6 Ų | 105.6 | 57% | 0.572 | 61% | 0.613 | S | S | * | * | trans | -74.5 | 68.4 | 163.6 | -82.8 | -28.9 | 0 | 0 | 0 | 109.1 | H61 S65 | H61-D63 IonicContact CE1-OD1 3.01Å; H61-D63 PolarHBondContact CE1-OD1 3.08Å; H61-D63 IonicContact CE1-OD2 3.15Å; H61-D63 PolarHBondContact CE1-OD2 3.3Å; H61-D63 IonicContact ND1-OD1 3.05Å; H61-D63 PolarHBondContact ND1-OD1 2.88Å; H61-D63 IonicContact ND1-OD2 2.76Å; H61-D63 PolarHBondContact ND1-OD2 3.12Å; H61-D63 PolarHBondContact O-N 3.4Å; D63-S65 VanDerWaalsContact C-N 3.31Å; D63-S65 PolarHBondContact O-N 3.44Å | ||
| 64 | N | 51.5 | Low | 60.6 | Low | 103 Ų | 103 | 100.9 Ų | 100.9 | 55% | 0.551 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 12.7 | -169.9 | -161.3 | 25.2 | 0 | 0 | 0 | 113.8 | L62 | L62-N64 PolarHBondContact O-N 2.8Š|
| 65 | S | 58.1 | Low | 62.5 | Low | 92 Ų | 92 | 103.2 Ų | 103.2 | 64% | 0.643 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -24.1 | -177.5 | 57.3 | 0 | 0 | 0 | 0 | 113.8 | D63 | D63-S65 VanDerWaalsContact C-N 3.31Å; D63-S65 PolarHBondContact O-N 3.44Å |
| 66 | N | 60.1 | Low | 64 | Low | 119 Ų | 119 | 98.1 Ų | 98.1 | 64% | 0.636 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -84.6 | -23.2 | 178.6 | -71.9 | -36.4 | 0 | 0 | 0 | 112.9 | L69 S70 | N66-L69 PolarHBondContact O-N 2.95Å; N66-S70 PolarHBondContact O-N 3.44Å; N66-S70 VanDerWaalsContact O-N 3.08Å; N66-S70 PolarHBondContact O-OG 2.99Å; N66-S70 VanDerWaalsContact O-OG 3.12Å |
| 67 | D | 68.9 | Low | 65.5 | Low | 91 Ų | 91 | 91.7 Ų | 91.7 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.3 | -37.9 | -173.9 | -171.5 | 44.9 | 0 | 0 | 0 | 112.7 | L69 S70 T71 | D67-L69 VanDerWaalsContact C-N 3.34Å; D67-L69 PolarHBondContact O-N 3.48Å; D67-S70 VanDerWaalsContact CA-OG 3.3Å; D67-S70 WeakPolarHBondContact CA-OG 3.35Å; D67-S70 PolarHBondContact O-N 3.36Å; D67-S70 PolarHBondContact O-OG 3.24Å; D67-T71 WeakPolarHBondContact O-CB 3.27Å; D67-T71 PolarHBondContact O-N 2.89Å; D67-T71 PolarHBondContact O-OG1 3.05Å |
| 68 | S | 79 | Confident | 67.5 | Low | 73 Ų | 73 | 87.3 Ų | 87.3 | 51% | 0.51 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64 | -40 | 176 | -51.6 | 0 | 0 | 0 | 0 | 111.6 | T71 L72 | S68-T71 PolarHBondContact O-N 3.48Å; S68-L72 VanDerWaalsContact O-CG 3.3Å; S68-L72 WeakPolarHBondContact O-CG 3.35Å; S68-L72 PolarHBondContact O-N 3.05Å |
| 69 | L | 79.5 | Confident | 69.3 | Low | 69 Ų | 69 | 88.9 Ų | 88.9 | 36% | 0.361 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.4 | -38.5 | -179.4 | -173.2 | 62.6 | 0 | 0 | 0 | 112 | N66 D67 T71 L72 R73 L132 | N66-L69 PolarHBondContact O-N 2.95Å; D67-L69 VanDerWaalsContact C-N 3.34Å; D67-L69 PolarHBondContact O-N 3.48Å; L69-T71 VanDerWaalsContact C-N 3.31Å; L69-L72 PolarHBondContact O-N 3.2Å; L69-R73 VanDerWaalsContact O-CG 3.29Å; L69-R73 WeakPolarHBondContact O-CG 3.28Å; L69-R73 PolarHBondContact O-N 3.42Å; L69-L132 HydrophobicContact CD1-CD1 4.43Å |
| 70 | S | 78.2 | Confident | 71.2 | Confident | 49 Ų | 49 | 83.7 Ų | 83.7 | 34% | 0.343 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 172 | 43 | 0 | 0 | 0 | 0 | 111.5 | N66 D67 L72 R73 V74 | N66-S70 PolarHBondContact O-N 3.44Å; N66-S70 VanDerWaalsContact O-N 3.08Å; N66-S70 PolarHBondContact O-OG 2.99Å; N66-S70 VanDerWaalsContact O-OG 3.12Å; D67-S70 VanDerWaalsContact CA-OG 3.3Å; D67-S70 WeakPolarHBondContact CA-OG 3.35Å; D67-S70 PolarHBondContact O-N 3.36Å; D67-S70 PolarHBondContact O-OG 3.24Å; S70-L72 PolarHBondContact O-N 2.89Å; S70-R73 PolarHBondContact O-N 3.46Å; S70-V74 WeakPolarHBondContact O-CG2 3.21Å; S70-V74 PolarHBondContact O-N 3.44Å |
| 71 | T | 83.6 | Confident | 73.9 | Confident | 82 Ų | 82 | 84.6 Ų | 84.6 | 50% | 0.503 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61 | -45.4 | 176.2 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | D67 S68 L69 R73 V74 Y75 | D67-T71 WeakPolarHBondContact O-CB 3.27Å; D67-T71 PolarHBondContact O-N 2.89Å; D67-T71 PolarHBondContact O-OG1 3.05Å; S68-T71 PolarHBondContact O-N 3.48Å; L69-T71 VanDerWaalsContact C-N 3.31Å; T71-R73 PolarHBondContact O-N 2.94Å; T71-V74 PolarHBondContact O-N 3.38Å; T71-Y75 WeakPolarHBondContact O-CB 3.38Å; T71-Y75 PolarHBondContact O-N 2.96Å |
| 72 | L | 81.9 | Confident | 76.2 | Confident | 98 Ų | 98 | 81.5 Ų | 81.5 | 51% | 0.513 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 175 | -71.2 | 175 | 0 | 0 | 0 | 112 | S68 L69 S70 V74 Y75 L76 | S68-L72 VanDerWaalsContact O-CG 3.3Å; S68-L72 WeakPolarHBondContact O-CG 3.35Å; S68-L72 PolarHBondContact O-N 3.05Å; L69-L72 PolarHBondContact O-N 3.2Å; S70-L72 PolarHBondContact O-N 2.89Å; L72-V74 PolarHBondContact O-N 3.3Å; L72-Y75 WeakPolarHBondContact O-CB 3.4Å; L72-Y75 PolarHBondContact O-N 3.36Å; L72-L76 WeakPolarHBondContact O-CB 2.95Å; L72-L76 VanDerWaalsContact O-CD1 3.31Å; L72-L76 WeakPolarHBondContact O-CD1 3.43Å; L72-L76 WeakPolarHBondContact O-CG 3.3Å; L72-L76 PolarHBondContact O-N 2.88Å |
| 73 | R | 85.3 | Confident | 78.6 | Confident | 51 Ų | 51 | 76.6 Ų | 76.6 | 19% | 0.192 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 177.4 | -74.6 | 177.7 | 166 | 126.1 | 0.1 | 112.4 | L69 S70 T71 L76 L77 I128 E129 K130 L132 | L69-R73 VanDerWaalsContact O-CG 3.29Å; L69-R73 WeakPolarHBondContact O-CG 3.28Å; L69-R73 PolarHBondContact O-N 3.42Å; S70-R73 PolarHBondContact O-N 3.46Å; T71-R73 PolarHBondContact O-N 2.94Å; R73-L76 PolarHBondContact O-N 3.22Å; R73-L77 WeakPolarHBondContact O-CG 3.46Å; R73-L77 PolarHBondContact O-N 3.45Å; R73-I128 HydrophobicContact CB-CG2 4.46Å; R73-I128 WeakPolarHBondContact CD-O 3.28Å; R73-I128 PolarHBondContact NE-O 2.97Å; R73-E129 WeakPolarHBondContact CD-O 3.43Å; R73-E129 VanDerWaalsContact CZ-O 3.24Å; R73-E129 PolarHBondContact NE-O 3.02Å; R73-E129 PolarHBondContact NH1-O 2.98Å; R73-K130 PolarHBondContact NH2-O 3.45Å; R73-L132 HydrophobicContact CB-CD2 4.48Å; R73-L132 HydrophobicContact CG-CD1 3.93Å; R73-L132 HydrophobicContact CG-CD2 3.69Å; R73-L132 HydrophobicContact CG-CG 4.23Å |
| 74 | V | 80.7 | Confident | 81 | Confident | 59 Ų | 59 | 75 Ų | 75 | 36% | 0.358 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 177.6 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | S70 T71 L72 L76 L77 N78 | S70-V74 WeakPolarHBondContact O-CG2 3.21Å; S70-V74 PolarHBondContact O-N 3.44Å; T71-V74 PolarHBondContact O-N 3.38Å; L72-V74 PolarHBondContact O-N 3.3Å; V74-L76 VanDerWaalsContact C-N 3.34Å; V74-L76 PolarHBondContact O-N 3.24Å; V74-L77 WeakPolarHBondContact O-CB 3.29Å; V74-L77 PolarHBondContact O-N 3.27Å; V74-N78 PolarHBondContact O-N 3.34Å; V74-N78 VanDerWaalsContact O-N 3.16Å; V74-N78 PolarHBondContact O-ND2 3.02Å |
| 75 | Y | 84.5 | Confident | 83.2 | Confident | 135 Ų | 135 | 70.5 Ų | 70.5 | 53% | 0.529 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -56.6 | -49.7 | 175.1 | 173.8 | -98.4 | 0 | 0 | 0 | 111.3 | T71 L72 L77 N78 Q79 | T71-Y75 WeakPolarHBondContact O-CB 3.38Å; T71-Y75 PolarHBondContact O-N 2.96Å; L72-Y75 WeakPolarHBondContact O-CB 3.4Å; L72-Y75 PolarHBondContact O-N 3.36Å; Y75-L77 PolarHBondContact O-N 3.16Å; Y75-N78 PolarHBondContact O-N 2.91Å; Y75-N78 VanDerWaalsContact O-N 3.11Å; Y75-Q79 HydrophobicContact CD1-CG 4.49Å; Y75-Q79 HydrophobicContact CE1-CG 4.05Å; Y75-Q79 WeakPolarHBondContact O-CG 3.47Å; Y75-Q79 PolarHBondContact O-N 3.43Å |
| 76 | L | 81.4 | Confident | 85 | Confident | 33 Ų | 33 | 72.6 Ų | 72.6 | 17% | 0.173 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.5 | -40 | -179.5 | -69.4 | 162.1 | 0 | 0 | 0 | 112.6 | L72 R73 V74 N78 Q79 L132 Y142 | L72-L76 WeakPolarHBondContact O-CB 2.95Å; L72-L76 VanDerWaalsContact O-CD1 3.31Å; L72-L76 WeakPolarHBondContact O-CD1 3.43Å; L72-L76 WeakPolarHBondContact O-CG 3.3Å; L72-L76 PolarHBondContact O-N 2.88Å; R73-L76 PolarHBondContact O-N 3.22Å; V74-L76 VanDerWaalsContact C-N 3.34Å; V74-L76 PolarHBondContact O-N 3.24Å; L76-N78 VanDerWaalsContact C-N 3.27Å; L76-N78 PolarHBondContact O-N 3.29Å; L76-Q79 PolarHBondContact O-N 3.37Å; L76-L132 HydrophobicContact CD1-CD2 4.49Å; L76-Y142 HydrophobicContact CB-CD1 4.4Å; L76-Y142 HydrophobicContact CD1-CD1 3.25Å; L76-Y142 HydrophobicContact CD1-CD2 4.39Å; L76-Y142 HydrophobicContact CD1-CE1 3.14Å; L76-Y142 HydrophobicContact CD1-CE2 4.34Å; L76-Y142 HydrophobicContact CD1-CG 3.9Å; L76-Y142 HydrophobicContact CD2-CD1 3.73Å; L76-Y142 HydrophobicContact CD2-CD2 4.41Å; L76-Y142 HydrophobicContact CD2-CE1 4.46Å; L76-Y142 HydrophobicContact CD2-CG 3.69Å; L76-Y142 HydrophobicContact CG-CD1 3.97Å; L76-Y142 HydrophobicContact CG-CE1 4.31Å; L76-Y142 HydrophobicContact CG-CG 4.39Å |
| 77 | L | 84.9 | Confident | 86.7 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -56.8 | -41.4 | 173.2 | -85.3 | 161.3 | 0 | 0 | 0 | 112.5 | R73 V74 Y75 Q79 L80 M111 Y125 I128 | R73-L77 WeakPolarHBondContact O-CG 3.46Å; R73-L77 PolarHBondContact O-N 3.45Å; V74-L77 WeakPolarHBondContact O-CB 3.29Å; V74-L77 PolarHBondContact O-N 3.27Å; Y75-L77 PolarHBondContact O-N 3.16Å; L77-Q79 PolarHBondContact O-N 3.45Å; L77-L80 PolarHBondContact O-N 3.42Å; L77-M111 HydrophobicContact CD2-CE 4.03Å; L77-M111 HydrophobicContact CD2-SD 3.91Å; L77-M111 WeakPolarHBondContact O-CE 3.22Å; L77-Y125 HydrophobicContact CD1-CD2 3.65Å; L77-Y125 HydrophobicContact CD1-CE2 3.87Å; L77-Y125 HydrophobicContact CD1-CG 4.23Å; L77-Y125 HydrophobicContact CD2-CD2 4.34Å; L77-Y125 HydrophobicContact CG-CD2 4.47Å; L77-I128 HydrophobicContact CD1-CB 4.06Å; L77-I128 HydrophobicContact CD1-CG2 3.91Å; L77-I128 HydrophobicContact CD2-CB 3.96Å; L77-I128 HydrophobicContact CD2-CD1 3.49Å; L77-I128 VanDerWaalsContact CD2-CD1 3.49Å; L77-I128 HydrophobicContact CD2-CG1 4.18Å; L77-I128 HydrophobicContact CD2-CG2 4.17Å; L77-I128 HydrophobicContact CG-CB 4.05Å; L77-I128 HydrophobicContact CG-CD1 4.14Å; L77-I128 HydrophobicContact CG-CG2 3.76Å |
| 78 | N | 85.5 | Confident | 88 | Confident | 96 Ų | 96 | 70.2 Ų | 70.2 | 51% | 0.513 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -74.3 | -13 | -178 | -68.7 | -28.3 | 0 | 0 | 0 | 113.4 | V74 Y75 L76 | V74-N78 PolarHBondContact O-N 3.34Å; V74-N78 VanDerWaalsContact O-N 3.16Å; V74-N78 PolarHBondContact O-ND2 3.02Å; Y75-N78 PolarHBondContact O-N 2.91Å; Y75-N78 VanDerWaalsContact O-N 3.11Å; L76-N78 VanDerWaalsContact C-N 3.27Å; L76-N78 PolarHBondContact O-N 3.29Å |
| 79 | Q | 87.7 | Confident | 88.9 | Confident | 122 Ų | 122 | 71 Ų | 71 | 57% | 0.57 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -10.2 | 174.7 | -60.6 | -52.2 | -53.8 | 0 | 0 | 113.3 | Y75 L76 L77 | Y75-Q79 HydrophobicContact CD1-CG 4.49Å; Y75-Q79 HydrophobicContact CE1-CG 4.05Å; Y75-Q79 WeakPolarHBondContact O-CG 3.47Å; Y75-Q79 PolarHBondContact O-N 3.43Å; L76-Q79 PolarHBondContact O-N 3.37Å; L77-Q79 PolarHBondContact O-N 3.45Å |
| 80 | L | 90.8 | Very high | 89.5 | Confident | 18 Ų | 18 | 69.8 Ų | 69.8 | 9% | 0.094 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -82.8 | 145.1 | -177 | -67.4 | 170.5 | 0 | 0 | 0 | 111.4 | L77 I82 M111 L113 P114 I128 I141 | L77-L80 PolarHBondContact O-N 3.42Å; L80-I82 PolarHBondContact O-N 3.11Å; L80-M111 HydrophobicContact CB-CE 4.32Å; L80-M111 HydrophobicContact CB-CG 3.73Å; L80-M111 HydrophobicContact CB-SD 3.64Å; L80-M111 HydrophobicContact CD1-CG 4.28Å; L80-M111 HydrophobicContact CD1-SD 3.47Å; L80-M111 WeakPolarHBondContact CD1-SD 3.38Å; L80-M111 HydrophobicContact CG-SD 4.21Å; L80-L113 HydrophobicContact CD1-CD2 3.62Å; L80-L113 HydrophobicContact CD2-CD2 4.11Å; L80-P114 HydrophobicContact CD2-CG 4.45Å; L80-I128 HydrophobicContact CD1-CD1 4.09Å; L80-I141 HydrophobicContact CD1-CG2 3.89Å; L80-I141 HydrophobicContact CD2-CG2 4.19Å |
| 81 | P | 92.3 | Very high | 90.3 | Very high | 72 Ų | 72 | 68.8 Ų | 68.8 | 47% | 0.468 | 37% | 0.37 | S | S | . | . | trans | -64.1 | 124.5 | 178.8 | 25.9 | -34.5 | 0 | 0 | 0 | 111.1 | M111 G112 | P81-M111 WeakPolarHBondContact O-CA 3.16Å; P81-G112 WeakPolarHBondContact CD-O 3.45Å; P81-G112 WeakPolarHBondContact CG-O 3.39Å; P81-G112 PolarHBondContact O-N 3.46Å | ||
| 82 | I | 95 | Very high | 90.8 | Very high | 88 Ų | 88 | 73 Ų | 73 | 45% | 0.451 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 134 | 173.5 | -57 | 169.1 | 0 | 0 | 0 | 108.5 | L80 I110 M111 Y121 | L80-I82 PolarHBondContact O-N 3.11Å; I82-I110 WeakPolarHBondContact CA-O 3.34Å; I82-M111 HydrophobicContact CD1-CE 4.15Å; I82-M111 HydrophobicContact CG1-CE 3.94Å; I82-Y121 HydrophobicContact CD1-CD2 3.77Å; I82-Y121 HydrophobicContact CD1-CE2 3.52Å; I82-Y121 HydrophobicContact CG1-CD2 4.01Å; I82-Y121 HydrophobicContact CG1-CE2 4.24Å; I82-Y121 HydrophobicContact CG2-CD2 4.36Å |
| 83 | S | 95.1 | Very high | 91.3 | Very high | 51 Ų | 51 | 75.9 Ų | 75.9 | 36% | 0.357 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 161 | 172 | 62.9 | 0 | 0 | 0 | 0 | 111.6 | R109 I110 | S83-R109 CarbonylContact O-C 3.6Å; S83-R109 WeakPolarHBondContact O-CA 3.23Å; S83-I110 PolarHBondContact N-O 3.06Å; S83-I110 PolarHBondContact O-N 2.89Å; S83-I110 WeakPolarHBondContact OG-CD1 3.19Å; S83-I110 WeakPolarHBondContact OG-CG1 3.44Å |
| 84 | V | 97.3 | Very high | 91.7 | Very high | 73 Ų | 73 | 75.4 Ų | 75.4 | 44% | 0.442 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 133.6 | 173.9 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | L86 D108 R109 | V84-L86 HydrophobicContact CB-CD2 4.42Å; V84-L86 HydrophobicContact CG1-CD2 4.15Å; V84-L86 PolarHBondContact O-N 3.33Å; V84-D108 WeakPolarHBondContact CA-O 3.37Å; V84-R109 HydrophobicContact CG2-CG 4.27Å |
| 85 | L | 97.4 | Very high | 92.3 | Very high | 9 Ų | 9 | 80.4 Ų | 80.4 | 5% | 0.047 | 41% | 0.41 | C | S | . | . | trans | -78 | 118.2 | 177.2 | -64.5 | 175.1 | 0 | 0 | 0 | 110.5 | I91 L94 Y104 G107 D108 I110 | L85-I91 HydrophobicContact CB-CG1 4.09Å; L85-I91 HydrophobicContact CD1-CG1 3.9Å; L85-I91 HydrophobicContact CG-CG1 4.43Å; L85-L94 HydrophobicContact CD1-CD1 3.88Å; L85-L94 HydrophobicContact CD2-CD1 3.79Å; L85-L94 HydrophobicContact CG-CD1 4.47Å; L85-Y104 HydrophobicContact CD1-CD1 4.2Å; L85-Y104 HydrophobicContact CD1-CG 3.93Å; L85-G107 PolarHBondContact O-N 3.37Å; L85-D108 HydrophobicContact CD1-CB 4.3Å; L85-D108 PolarHBondContact N-O 2.87Å; L85-I110 HydrophobicContact CD1-CG2 3.9Å; L85-I110 HydrophobicContact CD2-CD1 3.79Å; L85-I110 HydrophobicContact CD2-CG1 4.48Å; L85-I110 HydrophobicContact CG-CD1 4.21Å; L85-I110 HydrophobicContact CG-CG1 4.45Å; L85-I110 HydrophobicContact CG-CG2 4.26Å | ||
| 86 | L | 96.6 | Very high | 92.9 | Very high | 135 Ų | 135 | 78 Ų | 78 | 71% | 0.707 | 41% | 0.407 | S | S | * | . | trans | -103.5 | -18.5 | -172.1 | -59.6 | 179.1 | 0 | 0 | 0 | 113.8 | V84 | V84-L86 HydrophobicContact CB-CD2 4.42Å; V84-L86 HydrophobicContact CG1-CD2 4.15Å; V84-L86 PolarHBondContact O-N 3.33Å | ||
| 87 | D | 96 | Very high | 93.7 | Very high | 65 Ų | 65 | 76.5 Ų | 76.5 | 35% | 0.348 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -151.9 | 159.7 | -174.7 | 64.6 | 70.8 | 0 | 0 | 0 | 112.1 | T89 S90 I91 | D87-T89 PolarHBondContact O-N 3.38Å; D87-T89 VanDerWaalsContact OD1-CA 3.27Å; D87-T89 WeakPolarHBondContact OD1-CA 3.42Å; D87-T89 WeakPolarHBondContact OD1-CB 3.49Å; D87-T89 PolarHBondContact OD1-N 2.88Å; D87-S90 PolarHBondContact O-N 3.14Å; D87-S90 PolarHBondContact OD1-N 3.39Å; D87-S90 PolarHBondContact OD1-OG 3.22Å; D87-S90 VanDerWaalsContact OD1-OG 3.13Å; D87-S90 PolarHBondContact OD2-OG 3.34Å; D87-I91 PolarHBondContact O-N 3.25Å |
| 88 | D | 96.1 | Very high | 94.3 | Very high | 95 Ų | 95 | 78.5 Ų | 78.5 | 51% | 0.508 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.3 | -24.2 | 178.9 | -65.7 | -49 | 0 | 0 | 0 | 113.3 | S90 I91 K92 | D88-S90 VanDerWaalsContact C-N 3.34Å; D88-I91 PolarHBondContact O-N 3.03Å; D88-K92 WeakPolarHBondContact O-CB 3.31Å; D88-K92 WeakPolarHBondContact O-CG 3.48Å; D88-K92 PolarHBondContact O-N 3.48Å |
| 89 | T | 96.1 | Very high | 94.8 | Very high | 90 Ų | 90 | 76.4 Ų | 76.4 | 55% | 0.552 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -68.4 | -39.7 | 179.8 | -54.2 | 0 | 0 | 0 | 0 | 110.4 | D87 K93 | D87-T89 PolarHBondContact O-N 3.38Å; D87-T89 VanDerWaalsContact OD1-CA 3.27Å; D87-T89 WeakPolarHBondContact OD1-CA 3.42Å; D87-T89 WeakPolarHBondContact OD1-CB 3.49Å; D87-T89 PolarHBondContact OD1-N 2.88Å; T89-K93 WeakPolarHBondContact O-CG 3.15Å |
| 90 | S | 93.5 | Very high | 95.3 | Very high | 43 Ų | 43 | 72.9 Ų | 72.9 | 30% | 0.301 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.6 | -44 | 174.8 | -60.5 | 0 | 0 | 0 | 0 | 110.9 | D87 D88 K92 K93 | D87-S90 PolarHBondContact O-N 3.14Å; D87-S90 PolarHBondContact OD1-N 3.39Å; D87-S90 PolarHBondContact OD1-OG 3.22Å; D87-S90 VanDerWaalsContact OD1-OG 3.13Å; D87-S90 PolarHBondContact OD2-OG 3.34Å; D88-S90 VanDerWaalsContact C-N 3.34Å; S90-K92 PolarHBondContact O-N 2.89Å; S90-K93 PolarHBondContact O-N 3.19Å |
| 91 | I | 95.2 | Very high | 95.6 | Very high | 28 Ų | 28 | 79.3 Ų | 79.3 | 14% | 0.144 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61 | -44.9 | 177.5 | -67.6 | 163.3 | 0 | 0 | 0 | 111.5 | L85 D87 D88 K93 L94 Y104 I106 | L85-I91 HydrophobicContact CB-CG1 4.09Å; L85-I91 HydrophobicContact CD1-CG1 3.9Å; L85-I91 HydrophobicContact CG-CG1 4.43Å; D87-I91 PolarHBondContact O-N 3.25Å; D88-I91 PolarHBondContact O-N 3.03Å; I91-K93 PolarHBondContact O-N 3.43Å; I91-K93 VanDerWaalsContact O-N 3.1Å; I91-L94 PolarHBondContact O-N 3.25Å; I91-Y104 WeakPolarHBondContact CG2-O 3.48Å; I91-I106 HydrophobicContact CD1-CB 4.34Å; I91-I106 HydrophobicContact CD1-CG1 3.49Å; I91-I106 VanDerWaalsContact CD1-CG1 3.49Å; I91-I106 VanDerWaalsContact CD1-N 3.34Å |
| 92 | K | 93.9 | Very high | 95.9 | Very high | 172 Ų | 172 | 81.5 Ų | 81.5 | 75% | 0.748 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -18.5 | -179.8 | -76.8 | 170.5 | -175.1 | 176.3 | 0 | 114.3 | D88 S90 L94 | D88-K92 WeakPolarHBondContact O-CB 3.31Å; D88-K92 WeakPolarHBondContact O-CG 3.48Å; D88-K92 PolarHBondContact O-N 3.48Å; S90-K92 PolarHBondContact O-N 2.89Å; K92-L94 VanDerWaalsContact C-N 3.32Å |
| 93 | K | 92.3 | Very high | 96 | Very high | 158 Ų | 158 | 81.4 Ų | 81.4 | 69% | 0.687 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -9.9 | 176.3 | -67.6 | 171.6 | -176.6 | 177.6 | 0 | 112.8 | T89 S90 I91 | T89-K93 WeakPolarHBondContact O-CG 3.15Å; S90-K93 PolarHBondContact O-N 3.19Å; I91-K93 PolarHBondContact O-N 3.43Å; I91-K93 VanDerWaalsContact O-N 3.1Å |
| 94 | L | 93.7 | Very high | 96.2 | Very high | 41 Ų | 41 | 79.5 Ų | 79.5 | 22% | 0.215 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -102.6 | 143 | -175.9 | -58.3 | 178.9 | 0 | 0 | 0 | 111.2 | L85 I91 K92 Y104 I110 M118 | L85-L94 HydrophobicContact CD1-CD1 3.88Å; L85-L94 HydrophobicContact CD2-CD1 3.79Å; L85-L94 HydrophobicContact CG-CD1 4.47Å; I91-L94 PolarHBondContact O-N 3.25Å; K92-L94 VanDerWaalsContact C-N 3.32Å; L94-Y104 HydrophobicContact CB-CD2 3.65Å; L94-Y104 HydrophobicContact CB-CE2 3.82Å; L94-Y104 HydrophobicContact CD1-CD2 3.77Å; L94-Y104 HydrophobicContact CD1-CE2 4.01Å; L94-Y104 HydrophobicContact CD1-CG 4.31Å; L94-Y104 HydrophobicContact CG-CD2 4.37Å; L94-I110 HydrophobicContact CD1-CD1 3.81Å; L94-M118 HydrophobicContact CD2-CB 4.43Å; L94-M118 HydrophobicContact CD2-CG 4.4Å; L94-M118 HydrophobicContact CD2-SD 3.42Å; L94-M118 WeakPolarHBondContact CD2-SD 3.36Å |
| 95 | H | 93.7 | Very high | 96.2 | Very high | 163 Ų | 163 | 81.4 Ų | 81.4 | 76% | 0.755 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -80.2 | 155.3 | 163.2 | -65.1 | -70.2 | 0 | 0 | 0 | 110.3 | Y104 | H95-Y104 WeakPolarHBondContact O-CE2 3.4Š|
| 96 | N | 96.2 | Very high | 96.2 | Very high | 86 Ų | 86 | 85.7 Ų | 85.7 | 46% | 0.46 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -51.2 | 149.9 | 177.2 | -54.6 | 19.6 | 0 | 0 | 0 | 111.9 | S98 E102 N103 | N96-S98 PolarHBondContact O-N 2.98Å; N96-S98 VanDerWaalsContact O-N 3.11Å; N96-E102 WeakPolarHBondContact CB-O 3.29Å; N96-N103 PolarHBondContact ND2-OD1 3.42Å; N96-N103 PolarHBondContact OD1-OD1 3.32Å |
| 97 | C | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 81.6 Ų | 81.6 | 0% | 0 | 43% | 0.426 | C | S | . | . | trans | -66.2 | 115.8 | 176.3 | -178.5 | 0 | 0 | 0 | 0 | 109.5 | I99 C100 M101 E102 Y104 H120 | C97-I99 PolarHBondContact O-N 2.93Å; C97-I99 VanDerWaalsContact O-N 3.17Å; C97-C100 VanDerWaalsContact CB-SG 3.56Å; C97-M101 WeakPolarHBondContact O-CA 3.27Å; C97-M101 PolarHBondContact O-N 3.35Å; C97-E102 PolarHBondContact N-O 3.27Å; C97-Y104 HydrophobicContact CB-CE1 4.01Å; C97-Y104 WeakPolarHBondContact CB-OH 3.5Å; C97-H120 VanDerWaalsContact CB-ND1 3.34Å; C97-H120 WeakPolarHBondContact CB-ND1 3.14Å | ||
| 98 | S | 96.8 | Very high | 96.3 | Very high | 43 Ų | 43 | 80.4 Ų | 80.4 | 30% | 0.301 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -8.2 | -175.4 | 62.2 | 0 | 0 | 0 | 0 | 114.9 | N96 F119 M136 | N96-S98 PolarHBondContact O-N 2.98Å; N96-S98 VanDerWaalsContact O-N 3.11Å; S98-F119 WeakPolarHBondContact OG-CE1 3.43Å; S98-M136 WeakPolarHBondContact CB-SD 3.38Å; S98-M136 WeakPolarHBondContact OG-CG 3.19Å; S98-M136 PolarHBondContact OG-SD 3.47Å |
| 99 | I | 97.7 | Very high | 96.4 | Very high | 52 Ų | 52 | 81.7 Ų | 81.7 | 27% | 0.267 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -52.6 | 175.9 | -60.7 | 170.2 | 0 | 0 | 0 | 110.5 | C97 F119 C123 L124 W127 P135 | C97-I99 PolarHBondContact O-N 2.93Å; C97-I99 VanDerWaalsContact O-N 3.17Å; I99-F119 HydrophobicContact CD1-CB 4.29Å; I99-F119 HydrophobicContact CD1-CD1 3.58Å; I99-F119 HydrophobicContact CD1-CE1 4.2Å; I99-F119 HydrophobicContact CD1-CG 4.1Å; I99-F119 HydrophobicContact CG1-CD1 3.78Å; I99-F119 HydrophobicContact CG1-CE1 4.13Å; I99-C123 HydrophobicContact CB-CB 3.91Å; I99-C123 HydrophobicContact CD1-CB 3.87Å; I99-C123 HydrophobicContact CG1-CB 4.5Å; I99-C123 HydrophobicContact CG2-CB 3.86Å; I99-L124 HydrophobicContact CD1-CB 4.47Å; I99-L124 HydrophobicContact CD1-CD1 4.44Å; I99-W127 HydrophobicContact CD1-CB 4.1Å; I99-W127 HydrophobicContact CD1-CG 4.49Å; I99-P135 HydrophobicContact CD1-CG 3.88Å; I99-P135 HydrophobicContact CG1-CB 4.21Å; I99-P135 HydrophobicContact CG1-CG 3.92Å |
| 100 | C | 98.1 | Very high | 96.5 | Very high | 48 Ų | 48 | 77.5 Ų | 77.5 | 32% | 0.324 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -11 | 179.9 | 62.2 | 0 | 0 | 0 | 0 | 113.7 | C97 E102 H120 | C97-C100 VanDerWaalsContact CB-SG 3.56Å; C100-E102 HydrophobicContact CB-CG 4.46Å; C100-E102 PolarHBondContact O-N 2.97Å; C100-H120 PolarHBondContact SG-ND1 2.99Å; C100-H120 VanDerWaalsContact SG-ND1 3.44Å |
| 101 | M | 97.4 | Very high | 96.6 | Very high | 153 Ų | 153 | 75.4 Ų | 75.4 | 75% | 0.754 | 38% | 0.377 | S | S | * | . | trans | 64.5 | 15.5 | -175.8 | -51.6 | -176.5 | -175.2 | 0 | 0 | 114.8 | C97 | C97-M101 WeakPolarHBondContact O-CA 3.27Å; C97-M101 PolarHBondContact O-N 3.35Å | ||
| 102 | E | 98.2 | Very high | 96.5 | Very high | 119 Ų | 119 | 74.4 Ų | 74.4 | 56% | 0.556 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -97.2 | 156.5 | -178.7 | -65.5 | -67 | 174.9 | 0 | 0 | 113.2 | N96 C97 C100 | N96-E102 WeakPolarHBondContact CB-O 3.29Å; C97-E102 PolarHBondContact N-O 3.27Å; C100-E102 HydrophobicContact CB-CG 4.46Å; C100-E102 PolarHBondContact O-N 2.97Å |
| 103 | N | 97.4 | Very high | 96.5 | Very high | 85 Ų | 85 | 66.6 Ų | 66.6 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 157.1 | 171.1 | -64.1 | -47 | 0 | 0 | 0 | 111.3 | N96 H105 | N96-N103 PolarHBondContact ND2-OD1 3.42Å; N96-N103 PolarHBondContact OD1-OD1 3.32Å; N103-H105 PolarHBondContact O-CE1 3.48Å; N103-H105 PolarHBondContact O-ND1 3.18Å |
| 104 | Y | 97.8 | Very high | 96.6 | Very high | 12 Ų | 12 | 63 Ų | 63 | 5% | 0.047 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 150.4 | 170.6 | -64.2 | -66.7 | 0 | 0 | 0 | 112.2 | L85 I91 L94 H95 C97 D108 I110 M118 F119 H120 | L85-Y104 HydrophobicContact CD1-CD1 4.2Å; L85-Y104 HydrophobicContact CD1-CG 3.93Å; I91-Y104 WeakPolarHBondContact CG2-O 3.48Å; L94-Y104 HydrophobicContact CB-CD2 3.65Å; L94-Y104 HydrophobicContact CB-CE2 3.82Å; L94-Y104 HydrophobicContact CD1-CD2 3.77Å; L94-Y104 HydrophobicContact CD1-CE2 4.01Å; L94-Y104 HydrophobicContact CD1-CG 4.31Å; L94-Y104 HydrophobicContact CG-CD2 4.37Å; H95-Y104 WeakPolarHBondContact O-CE2 3.4Å; C97-Y104 HydrophobicContact CB-CE1 4.01Å; C97-Y104 WeakPolarHBondContact CB-OH 3.5Å; Y104-D108 WeakPolarHBondContact CA-OD2 3.47Å; Y104-I110 HydrophobicContact CD1-CG2 3.7Å; Y104-I110 HydrophobicContact CE1-CG2 3.6Å; Y104-M118 PolarHBondContact OH-O 2.75Å; Y104-F119 WeakPolarHBondContact OH-CA 3.37Å; Y104-F119 PolarHBondContact OH-N 3.34Å; Y104-H120 AromaticContact CD1-CD2 3.63Å; Y104-H120 AromaticContact CD1-CE1 3.71Å; Y104-H120 AromaticContact CD1-NE2 3.27Å; Y104-H120 VanDerWaalsContact CD1-NE2 3.27Å; Y104-H120 WeakPolarHBondContact CD1-NE2 3.27Å; Y104-H120 AromaticContact CE1-CD2 3.64Å; Y104-H120 AromaticContact CE1-CE1 3.69Å; Y104-H120 AromaticContact CE1-CG 3.78Å; Y104-H120 AromaticContact CE1-ND1 3.82Å; Y104-H120 AromaticContact CE1-NE2 3.59Å |
| 105 | H | 97.7 | Very high | 96.6 | Very high | 113 Ų | 113 | 62.5 Ų | 62.5 | 52% | 0.523 | 33% | 0.332 | S | S | . | . | trans | -127.4 | 161 | 178.1 | -56.5 | 87.1 | 0 | 0 | 0 | 111.5 | N103 G107 D108 | N103-H105 PolarHBondContact O-CE1 3.48Å; N103-H105 PolarHBondContact O-ND1 3.18Å; H105-G107 PolarHBondContact O-N 3.37Å; H105-D108 PolarHBondContact N-OD2 3.4Å; H105-D108 IonicContact ND1-OD2 3.86Å; H105-D108 VanDerWaalsContact O-CB 3.28Å; H105-D108 WeakPolarHBondContact O-CB 3.5Å; H105-D108 PolarHBondContact O-N 3.44Å | ||
| 106 | I | 97.7 | Very high | 96.6 | Very high | 99 Ų | 99 | 63.6 Ų | 63.6 | 51% | 0.508 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 131.7 | 173.1 | -62 | 175.8 | 0 | 0 | 0 | 108.3 | I91 | I91-I106 HydrophobicContact CD1-CB 4.34Å; I91-I106 HydrophobicContact CD1-CG1 3.49Å; I91-I106 VanDerWaalsContact CD1-CG1 3.49Å; I91-I106 VanDerWaalsContact CD1-N 3.34Å |
| 107 | G | 97.6 | Very high | 96.6 | Very high | 48 Ų | 48 | 62.4 Ų | 62.4 | 50% | 0.495 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | -10 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L85 H105 R109 | L85-G107 PolarHBondContact O-N 3.37Å; H105-G107 PolarHBondContact O-N 3.37Å; G107-R109 PolarHBondContact O-N 2.86Å |
| 108 | D | 98 | Very high | 96.5 | Very high | 40 Ų | 40 | 66 Ų | 66 | 21% | 0.214 | 34% | 0.344 | C | S | . | . | trans | -63.2 | 132.4 | 174.8 | -79.1 | -12.7 | 0 | 0 | 0 | 110.5 | V84 L85 Y104 H105 H120 | V84-D108 WeakPolarHBondContact CA-O 3.37Å; L85-D108 HydrophobicContact CD1-CB 4.3Å; L85-D108 PolarHBondContact N-O 2.87Å; Y104-D108 WeakPolarHBondContact CA-OD2 3.47Å; H105-D108 PolarHBondContact N-OD2 3.4Å; H105-D108 IonicContact ND1-OD2 3.86Å; H105-D108 VanDerWaalsContact O-CB 3.28Å; H105-D108 WeakPolarHBondContact O-CB 3.5Å; H105-D108 PolarHBondContact O-N 3.44Å; D108-H120 IonicContact OD2-CD2 3.5Å; D108-H120 IonicContact OD2-NE2 2.91Å; D108-H120 PolarHBondContact OD2-NE2 3.17Å | ||
| 109 | R | 97.8 | Very high | 96.6 | Very high | 122 Ų | 122 | 64 Ų | 64 | 46% | 0.46 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 124.2 | 165.5 | -63.6 | -166.7 | -55.1 | -85 | -0.7 | 108.8 | S83 V84 G107 Y121 N122 | S83-R109 CarbonylContact O-C 3.6Å; S83-R109 WeakPolarHBondContact O-CA 3.23Å; V84-R109 HydrophobicContact CG2-CG 4.27Å; G107-R109 PolarHBondContact O-N 2.86Å; R109-Y121 PolarHBondContact O-N 3.11Å; R109-N122 PolarHBondContact NH2-OD1 2.82Å |
| 110 | I | 97 | Very high | 96.6 | Very high | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 151.5 | 174.4 | 63.2 | 168.1 | 0 | 0 | 0 | 110.2 | I82 S83 L85 L94 Y104 M118 F119 | I82-I110 WeakPolarHBondContact CA-O 3.34Å; S83-I110 PolarHBondContact N-O 3.06Å; S83-I110 PolarHBondContact O-N 2.89Å; S83-I110 WeakPolarHBondContact OG-CD1 3.19Å; S83-I110 WeakPolarHBondContact OG-CG1 3.44Å; L85-I110 HydrophobicContact CD1-CG2 3.9Å; L85-I110 HydrophobicContact CD2-CD1 3.79Å; L85-I110 HydrophobicContact CD2-CG1 4.48Å; L85-I110 HydrophobicContact CG-CD1 4.21Å; L85-I110 HydrophobicContact CG-CG1 4.45Å; L85-I110 HydrophobicContact CG-CG2 4.26Å; L94-I110 HydrophobicContact CD1-CD1 3.81Å; Y104-I110 HydrophobicContact CD1-CG2 3.7Å; Y104-I110 HydrophobicContact CE1-CG2 3.6Å; I110-M118 HydrophobicContact CD1-CE 3.91Å; I110-M118 HydrophobicContact CD1-SD 3.74Å; I110-F119 CarbonylContact C-O 3.52Å; I110-F119 WeakPolarHBondContact CA-O 3.5Å; I110-F119 WeakPolarHBondContact CB-O 3.34Å |
| 111 | M | 95.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 130.9 | 175.2 | -177.6 | -174.9 | -75.9 | 0 | 0 | 108.7 | L77 L80 P81 I82 F119 Y121 L124 | L77-M111 HydrophobicContact CD2-CE 4.03Å; L77-M111 HydrophobicContact CD2-SD 3.91Å; L77-M111 WeakPolarHBondContact O-CE 3.22Å; L80-M111 HydrophobicContact CB-CE 4.32Å; L80-M111 HydrophobicContact CB-CG 3.73Å; L80-M111 HydrophobicContact CB-SD 3.64Å; L80-M111 HydrophobicContact CD1-CG 4.28Å; L80-M111 HydrophobicContact CD1-SD 3.47Å; L80-M111 WeakPolarHBondContact CD1-SD 3.38Å; L80-M111 HydrophobicContact CG-SD 4.21Å; P81-M111 WeakPolarHBondContact O-CA 3.16Å; I82-M111 HydrophobicContact CD1-CE 4.15Å; I82-M111 HydrophobicContact CG1-CE 3.94Å; M111-F119 PolarHBondContact N-O 2.91Å; M111-F119 PolarHBondContact O-N 3.33Å; M111-F119 VanDerWaalsContact O-N 3.1Å; M111-Y121 HydrophobicContact CE-CD2 3.46Å; M111-Y121 VanDerWaalsContact CE-CD2 3.46Å; M111-Y121 HydrophobicContact CE-CE2 3.45Å; M111-Y121 VanDerWaalsContact CE-CE2 3.45Å; M111-L124 HydrophobicContact CB-CD2 3.94Å; M111-L124 HydrophobicContact CG-CD2 3.78Å; M111-L124 HydrophobicContact SD-CD2 3.55Å; M111-L124 VanDerWaalsContact SD-CD2 3.55Å; M111-L124 HydrophobicContact SD-CG 4.23Å |
| 112 | G | 94.3 | Very high | 96.5 | Very high | 6 Ų | 6 | 60 Ų | 60 | 6% | 0.062 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 143.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | P81 | P81-G112 WeakPolarHBondContact CD-O 3.45Å; P81-G112 WeakPolarHBondContact CG-O 3.39Å; P81-G112 PolarHBondContact O-N 3.46Å |
| 113 | L | 94.3 | Very high | 96.4 | Very high | 8 Ų | 8 | 55.7 Ų | 55.7 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | trans | -97 | 162.8 | 170.5 | -66.3 | -175.2 | 0 | 0 | 0 | 111.6 | L80 C115 F116 H117 F119 L124 C134 I141 | L80-L113 HydrophobicContact CD1-CD2 3.62Å; L80-L113 HydrophobicContact CD2-CD2 4.11Å; L113-C115 PolarHBondContact O-N 3.03Å; L113-C115 VanDerWaalsContact O-N 3.11Å; L113-F116 WeakPolarHBondContact O-CA 3.39Å; L113-F116 PolarHBondContact O-N 2.94Å; L113-H117 PolarHBondContact N-O 3.38Å; L113-F119 HydrophobicContact CD1-CD2 4.39Å; L113-F119 HydrophobicContact CD1-CE2 3.75Å; L113-F119 HydrophobicContact CG-CD2 4.45Å; L113-F119 HydrophobicContact CG-CE2 4.18Å; L113-L124 HydrophobicContact CD1-CD1 4.35Å; L113-L124 HydrophobicContact CD2-CD1 4.49Å; L113-L124 HydrophobicContact CD2-CD2 3.71Å; L113-L124 HydrophobicContact CG-CD2 4.04Å; L113-C134 HydrophobicContact CD1-CB 3.7Å; L113-I141 HydrophobicContact CD1-CD1 4.39Å; L113-I141 HydrophobicContact CD1-CG1 3.91Å; L113-I141 HydrophobicContact CD2-CB 4.41Å; L113-I141 HydrophobicContact CD2-CD1 4.27Å; L113-I141 HydrophobicContact CD2-CG1 3.8Å; L113-I141 HydrophobicContact CD2-CG2 3.89Å; L113-I141 HydrophobicContact CG-CG1 4.48Å | ||
| 114 | P | 92.5 | Very high | 96.3 | Very high | 82 Ų | 82 | 51.7 Ų | 51.7 | 53% | 0.532 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -24.7 | 175 | -27.3 | 37.1 | 0 | 0 | 0 | 114.2 | L80 F116 I141 | L80-P114 HydrophobicContact CD2-CG 4.45Å; P114-F116 PolarHBondContact O-N 2.86Å; P114-I141 WeakPolarHBondContact CG-O 3.16Å |
| 115 | C | 95 | Very high | 96.1 | Very high | 31 Ų | 31 | 54.5 Ų | 54.5 | 21% | 0.209 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 13.4 | 173.1 | 64.6 | 0 | 0 | 0 | 0 | 114.3 | L113 H117 C137 M139 | L113-C115 PolarHBondContact O-N 3.03Å; L113-C115 VanDerWaalsContact O-N 3.11Å; C115-H117 PolarHBondContact O-N 3.02Å; C115-H117 VanDerWaalsContact O-N 3.12Å; C115-H117 PolarHBondContact O-ND1 3.01Å; C115-H117 PolarHBondContact SG-ND1 3.32Å; C115-H117 VanDerWaalsContact SG-ND1 3.43Å; C115-C137 VanDerWaalsContact SG-SG 3.61Å; C115-M139 HydrophobicContact CB-CB 4.23Å; C115-M139 HydrophobicContact CB-CG 4.47Å |
| 116 | F | 93.8 | Very high | 95.9 | Very high | 187 Ų | 187 | 53 Ų | 53 | 82% | 0.82 | 28% | 0.276 | S | S | * | . | S | Bend | trans | 64.6 | 4.8 | 178.6 | -54.1 | -77.6 | 0 | 0 | 0 | 117.1 | L113 P114 | L113-F116 WeakPolarHBondContact O-CA 3.39Å; L113-F116 PolarHBondContact O-N 2.94Å; P114-F116 PolarHBondContact O-N 2.86Å |
| 117 | H | 96.4 | Very high | 95.7 | Very high | 61 Ų | 61 | 52.3 Ų | 52.3 | 28% | 0.282 | 27% | 0.267 | S | S | . | . | trans | -75.5 | 138 | 170.7 | -67.3 | 101 | 0 | 0 | 0 | 111 | L113 C115 F119 M136 | L113-H117 PolarHBondContact N-O 3.38Å; C115-H117 PolarHBondContact O-N 3.02Å; C115-H117 VanDerWaalsContact O-N 3.12Å; C115-H117 PolarHBondContact O-ND1 3.01Å; C115-H117 PolarHBondContact SG-ND1 3.32Å; C115-H117 VanDerWaalsContact SG-ND1 3.43Å; H117-F119 HydrophobicContact CB-CE2 3.61Å; H117-F119 HydrophobicContact CB-CZ 3.86Å; H117-M136 HydrophobicContact CB-CB 4.47Å; H117-M136 HydrophobicContact CB-CG 4.41Å | ||
| 118 | M | 96.4 | Very high | 95.4 | Very high | 75 Ų | 75 | 50 Ų | 50 | 37% | 0.369 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 141.8 | -178.7 | -62.6 | -168.1 | 128 | 0 | 0 | 111.3 | L94 Y104 I110 | L94-M118 HydrophobicContact CD2-CB 4.43Å; L94-M118 HydrophobicContact CD2-CG 4.4Å; L94-M118 HydrophobicContact CD2-SD 3.42Å; L94-M118 WeakPolarHBondContact CD2-SD 3.36Å; Y104-M118 PolarHBondContact OH-O 2.75Å; I110-M118 HydrophobicContact CD1-CE 3.91Å; I110-M118 HydrophobicContact CD1-SD 3.74Å |
| 119 | F | 97.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 159.9 | -177.2 | -57 | -88.8 | 0 | 0 | 0 | 109.7 | S98 I99 Y104 I110 M111 L113 H117 Y121 L124 P135 M136 | S98-F119 WeakPolarHBondContact OG-CE1 3.43Å; I99-F119 HydrophobicContact CD1-CB 4.29Å; I99-F119 HydrophobicContact CD1-CD1 3.58Å; I99-F119 HydrophobicContact CD1-CE1 4.2Å; I99-F119 HydrophobicContact CD1-CG 4.1Å; I99-F119 HydrophobicContact CG1-CD1 3.78Å; I99-F119 HydrophobicContact CG1-CE1 4.13Å; Y104-F119 WeakPolarHBondContact OH-CA 3.37Å; Y104-F119 PolarHBondContact OH-N 3.34Å; I110-F119 CarbonylContact C-O 3.52Å; I110-F119 WeakPolarHBondContact CA-O 3.5Å; I110-F119 WeakPolarHBondContact CB-O 3.34Å; M111-F119 PolarHBondContact N-O 2.91Å; M111-F119 PolarHBondContact O-N 3.33Å; M111-F119 VanDerWaalsContact O-N 3.1Å; L113-F119 HydrophobicContact CD1-CD2 4.39Å; L113-F119 HydrophobicContact CD1-CE2 3.75Å; L113-F119 HydrophobicContact CG-CD2 4.45Å; L113-F119 HydrophobicContact CG-CE2 4.18Å; H117-F119 HydrophobicContact CB-CE2 3.61Å; H117-F119 HydrophobicContact CB-CZ 3.86Å; F119-Y121 PolarHBondContact O-N 3.03Å; F119-L124 HydrophobicContact CB-CB 3.86Å; F119-L124 HydrophobicContact CB-CD2 4.33Å; F119-L124 HydrophobicContact CB-CG 4.49Å; F119-L124 HydrophobicContact CD2-CD1 4.01Å; F119-L124 HydrophobicContact CD2-CD2 3.96Å; F119-L124 HydrophobicContact CD2-CG 4.45Å; F119-L124 HydrophobicContact CE2-CD1 4.44Å; F119-L124 HydrophobicContact CG-CB 4.43Å; F119-L124 HydrophobicContact CG-CD1 4.28Å; F119-L124 HydrophobicContact CG-CD2 4.48Å; F119-P135 HydrophobicContact CD1-CG 4.29Å; F119-P135 HydrophobicContact CE1-CB 3.86Å; F119-P135 HydrophobicContact CE1-CG 3.6Å; F119-P135 HydrophobicContact CE2-CG 4.45Å; F119-P135 HydrophobicContact CZ-CB 4.1Å; F119-P135 HydrophobicContact CZ-CG 3.71Å; F119-M136 HydrophobicContact CE1-CG 3.96Å; F119-M136 HydrophobicContact CZ-CB 4.47Å; F119-M136 HydrophobicContact CZ-CG 3.71Å |
| 120 | H | 98.1 | Very high | 94.5 | Very high | 26 Ų | 26 | 53.8 Ų | 53.8 | 12% | 0.12 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 136.6 | 163.3 | -68 | 111.4 | 0 | 0 | 0 | 109.6 | C97 C100 Y104 D108 N122 C123 L124 | C97-H120 VanDerWaalsContact CB-ND1 3.34Å; C97-H120 WeakPolarHBondContact CB-ND1 3.14Å; C100-H120 PolarHBondContact SG-ND1 2.99Å; C100-H120 VanDerWaalsContact SG-ND1 3.44Å; Y104-H120 AromaticContact CD1-CD2 3.63Å; Y104-H120 AromaticContact CD1-CE1 3.71Å; Y104-H120 AromaticContact CD1-NE2 3.27Å; Y104-H120 VanDerWaalsContact CD1-NE2 3.27Å; Y104-H120 WeakPolarHBondContact CD1-NE2 3.27Å; Y104-H120 AromaticContact CE1-CD2 3.64Å; Y104-H120 AromaticContact CE1-CE1 3.69Å; Y104-H120 AromaticContact CE1-CG 3.78Å; Y104-H120 AromaticContact CE1-ND1 3.82Å; Y104-H120 AromaticContact CE1-NE2 3.59Å; D108-H120 IonicContact OD2-CD2 3.5Å; D108-H120 IonicContact OD2-NE2 2.91Å; D108-H120 PolarHBondContact OD2-NE2 3.17Å; H120-N122 VanDerWaalsContact C-N 3.29Å; H120-N122 PolarHBondContact O-N 3.36Å; H120-C123 HydrophobicContact CB-CB 3.96Å; H120-C123 PolarHBondContact O-N 2.83Å; H120-L124 PolarHBondContact O-N 3.43Å |
| 121 | Y | 96.2 | Very high | 94.3 | Very high | 45 Ų | 45 | 57.4 Ų | 57.4 | 18% | 0.176 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -49.5 | -50.4 | 178.8 | 171 | -90.1 | 0 | 0 | 0 | 111.5 | I82 R109 M111 F119 C123 L124 Y125 | I82-Y121 HydrophobicContact CD1-CD2 3.77Å; I82-Y121 HydrophobicContact CD1-CE2 3.52Å; I82-Y121 HydrophobicContact CG1-CD2 4.01Å; I82-Y121 HydrophobicContact CG1-CE2 4.24Å; I82-Y121 HydrophobicContact CG2-CD2 4.36Å; R109-Y121 PolarHBondContact O-N 3.11Å; M111-Y121 HydrophobicContact CE-CD2 3.46Å; M111-Y121 VanDerWaalsContact CE-CD2 3.46Å; M111-Y121 HydrophobicContact CE-CE2 3.45Å; M111-Y121 VanDerWaalsContact CE-CE2 3.45Å; F119-Y121 PolarHBondContact O-N 3.03Å; Y121-C123 PolarHBondContact O-N 3.06Å; Y121-L124 PolarHBondContact O-N 3.1Å; Y121-Y125 VanDerWaalsContact O-CB 3.27Å; Y121-Y125 WeakPolarHBondContact O-CB 3.47Å; Y121-Y125 PolarHBondContact O-N 2.91Å |
| 122 | N | 96.1 | Very high | 94 | Very high | 99 Ų | 99 | 58.7 Ų | 58.7 | 53% | 0.529 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.4 | -37.7 | -179.1 | -64.6 | -20.3 | 0 | 0 | 0 | 112.5 | R109 H120 V126 | R109-N122 PolarHBondContact NH2-OD1 2.82Å; H120-N122 VanDerWaalsContact C-N 3.29Å; H120-N122 PolarHBondContact O-N 3.36Å; N122-V126 WeakPolarHBondContact O-CG2 3.3Å; N122-V126 PolarHBondContact O-N 3.11Å |
| 123 | C | 97.4 | Very high | 94 | Very high | 28 Ų | 28 | 63.3 Ų | 63.3 | 19% | 0.189 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.4 | -45.1 | -179.8 | -70.5 | 0 | 0 | 0 | 0 | 110.8 | I99 H120 Y121 W127 | I99-C123 HydrophobicContact CB-CB 3.91Å; I99-C123 HydrophobicContact CD1-CB 3.87Å; I99-C123 HydrophobicContact CG1-CB 4.5Å; I99-C123 HydrophobicContact CG2-CB 3.86Å; H120-C123 HydrophobicContact CB-CB 3.96Å; H120-C123 PolarHBondContact O-N 2.83Å; Y121-C123 PolarHBondContact O-N 3.06Å; C123-W127 WeakPolarHBondContact O-CB 3.47Å; C123-W127 PolarHBondContact O-N 3.35Å; C123-W127 VanDerWaalsContact O-N 3.14Å |
| 124 | L | 94.8 | Very high | 94 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -70.4 | -36.7 | 178.6 | -171.6 | 59.7 | 0 | 0 | 0 | 112 | I99 M111 L113 F119 H120 Y121 V126 W127 I128 P135 | I99-L124 HydrophobicContact CD1-CB 4.47Å; I99-L124 HydrophobicContact CD1-CD1 4.44Å; M111-L124 HydrophobicContact CB-CD2 3.94Å; M111-L124 HydrophobicContact CG-CD2 3.78Å; M111-L124 HydrophobicContact SD-CD2 3.55Å; M111-L124 VanDerWaalsContact SD-CD2 3.55Å; M111-L124 HydrophobicContact SD-CG 4.23Å; L113-L124 HydrophobicContact CD1-CD1 4.35Å; L113-L124 HydrophobicContact CD2-CD1 4.49Å; L113-L124 HydrophobicContact CD2-CD2 3.71Å; L113-L124 HydrophobicContact CG-CD2 4.04Å; F119-L124 HydrophobicContact CB-CB 3.86Å; F119-L124 HydrophobicContact CB-CD2 4.33Å; F119-L124 HydrophobicContact CB-CG 4.49Å; F119-L124 HydrophobicContact CD2-CD1 4.01Å; F119-L124 HydrophobicContact CD2-CD2 3.96Å; F119-L124 HydrophobicContact CD2-CG 4.45Å; F119-L124 HydrophobicContact CE2-CD1 4.44Å; F119-L124 HydrophobicContact CG-CB 4.43Å; F119-L124 HydrophobicContact CG-CD1 4.28Å; F119-L124 HydrophobicContact CG-CD2 4.48Å; H120-L124 PolarHBondContact O-N 3.43Å; Y121-L124 PolarHBondContact O-N 3.1Å; L124-V126 PolarHBondContact O-N 2.78Å; L124-W127 WeakPolarHBondContact O-CB 3.44Å; L124-W127 PolarHBondContact O-N 3.43Å; L124-I128 HydrophobicContact CD1-CD1 3.82Å; L124-I128 HydrophobicContact CD1-CG1 4Å; L124-I128 HydrophobicContact CD2-CD1 4.24Å; L124-I128 HydrophobicContact CG-CD1 3.66Å; L124-I128 HydrophobicContact CG-CG1 4.19Å; L124-I128 WeakPolarHBondContact O-CB 3.42Å; L124-I128 VanDerWaalsContact O-CG1 3.29Å; L124-I128 WeakPolarHBondContact O-CG1 3.02Å; L124-I128 PolarHBondContact O-N 3.11Å; L124-P135 HydrophobicContact CD1-CG 4.48Å |
| 125 | Y | 93.2 | Very high | 94.2 | Very high | 72 Ų | 72 | 60.7 Ų | 60.7 | 28% | 0.282 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -53.4 | -55.1 | 174.5 | -174.4 | -85.8 | 0 | 0 | 0 | 111.6 | L77 Y121 W127 I128 E129 | L77-Y125 HydrophobicContact CD1-CD2 3.65Å; L77-Y125 HydrophobicContact CD1-CE2 3.87Å; L77-Y125 HydrophobicContact CD1-CG 4.23Å; L77-Y125 HydrophobicContact CD2-CD2 4.34Å; L77-Y125 HydrophobicContact CG-CD2 4.47Å; Y121-Y125 VanDerWaalsContact O-CB 3.27Å; Y121-Y125 WeakPolarHBondContact O-CB 3.47Å; Y121-Y125 PolarHBondContact O-N 2.91Å; Y125-W127 VanDerWaalsContact C-N 3.28Å; Y125-W127 PolarHBondContact O-N 3.12Å; Y125-I128 PolarHBondContact O-N 3.43Å; Y125-E129 VanDerWaalsContact CE1-OE1 3.28Å; Y125-E129 WeakPolarHBondContact CE1-OE1 3.11Å; Y125-E129 PolarHBondContact O-N 3.42Å |
| 126 | V | 93.4 | Very high | 94.3 | Very high | 80 Ų | 80 | 63.8 Ų | 63.8 | 49% | 0.485 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.1 | -33.7 | 179 | 176 | 0 | 0 | 0 | 0 | 112.1 | N122 L124 | N122-V126 WeakPolarHBondContact O-CG2 3.3Å; N122-V126 PolarHBondContact O-N 3.11Å; L124-V126 PolarHBondContact O-N 2.78Å |
| 127 | W | 94.2 | Very high | 94.4 | Very high | 85 Ų | 85 | 57.4 Ų | 57.4 | 32% | 0.322 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.2 | -45.8 | 175.9 | 178.9 | -90.7 | 0 | 0 | 0 | 111.9 | I99 C123 L124 Y125 E129 K130 N131 Q133 P135 | I99-W127 HydrophobicContact CD1-CB 4.1Å; I99-W127 HydrophobicContact CD1-CG 4.49Å; C123-W127 WeakPolarHBondContact O-CB 3.47Å; C123-W127 PolarHBondContact O-N 3.35Å; C123-W127 VanDerWaalsContact O-N 3.14Å; L124-W127 WeakPolarHBondContact O-CB 3.44Å; L124-W127 PolarHBondContact O-N 3.43Å; Y125-W127 VanDerWaalsContact C-N 3.28Å; Y125-W127 PolarHBondContact O-N 3.12Å; W127-E129 VanDerWaalsContact C-N 3.3Å; W127-E129 PolarHBondContact O-N 2.88Å; W127-K130 PolarHBondContact O-N 3.1Å; W127-N131 HydrophobicContact CD2-CB 4.49Å; W127-N131 HydrophobicContact CZ2-CB 4.12Å; W127-N131 PolarHBondContact O-N 3.35Å; W127-Q133 PolarHBondContact NE1-O 3.32Å; W127-P135 HydrophobicContact CD2-CB 4.36Å; W127-P135 HydrophobicContact CD2-CG 3.81Å; W127-P135 HydrophobicContact CE3-CG 4.46Å; W127-P135 HydrophobicContact CG-CG 3.96Å; W127-P135 HydrophobicContact CH2-CB 4.32Å; W127-P135 HydrophobicContact CZ2-CB 3.99Å; W127-P135 HydrophobicContact CZ2-CG 4.13Å |
| 128 | I | 90.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.2 | -26.6 | -173.2 | -69.5 | -179 | 0 | 0 | 0 | 112.5 | R73 L77 L80 L124 Y125 K130 N131 L132 I141 | R73-I128 HydrophobicContact CB-CG2 4.46Å; R73-I128 WeakPolarHBondContact CD-O 3.28Å; R73-I128 PolarHBondContact NE-O 2.97Å; L77-I128 HydrophobicContact CD1-CB 4.06Å; L77-I128 HydrophobicContact CD1-CG2 3.91Å; L77-I128 HydrophobicContact CD2-CB 3.96Å; L77-I128 HydrophobicContact CD2-CD1 3.49Å; L77-I128 VanDerWaalsContact CD2-CD1 3.49Å; L77-I128 HydrophobicContact CD2-CG1 4.18Å; L77-I128 HydrophobicContact CD2-CG2 4.17Å; L77-I128 HydrophobicContact CG-CB 4.05Å; L77-I128 HydrophobicContact CG-CD1 4.14Å; L77-I128 HydrophobicContact CG-CG2 3.76Å; L80-I128 HydrophobicContact CD1-CD1 4.09Å; L124-I128 HydrophobicContact CD1-CD1 3.82Å; L124-I128 HydrophobicContact CD1-CG1 4Å; L124-I128 HydrophobicContact CD2-CD1 4.24Å; L124-I128 HydrophobicContact CG-CD1 3.66Å; L124-I128 HydrophobicContact CG-CG1 4.19Å; L124-I128 WeakPolarHBondContact O-CB 3.42Å; L124-I128 VanDerWaalsContact O-CG1 3.29Å; L124-I128 WeakPolarHBondContact O-CG1 3.02Å; L124-I128 PolarHBondContact O-N 3.11Å; Y125-I128 PolarHBondContact O-N 3.43Å; I128-K130 PolarHBondContact O-N 3.28Å; I128-N131 WeakPolarHBondContact CA-O 3.35Å; I128-L132 HydrophobicContact CG2-CD2 3.53Å; I128-I141 HydrophobicContact CD1-CD1 3.38Å; I128-I141 HydrophobicContact CD1-CG1 4.46Å; I128-I141 HydrophobicContact CD1-CG2 4.35Å; I128-I141 HydrophobicContact CG1-CD1 3.47Å; I128-I141 VanDerWaalsContact CG1-CD1 3.47Å |
| 129 | E | 88.3 | Confident | 94.3 | Very high | 91 Ų | 91 | 64.7 Ų | 64.7 | 43% | 0.425 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -29.5 | 168.8 | -70.4 | -178.8 | 173.8 | 0 | 0 | 112.7 | R73 Y125 W127 | R73-E129 WeakPolarHBondContact CD-O 3.43Å; R73-E129 VanDerWaalsContact CZ-O 3.24Å; R73-E129 PolarHBondContact NE-O 3.02Å; R73-E129 PolarHBondContact NH1-O 2.98Å; Y125-E129 VanDerWaalsContact CE1-OE1 3.28Å; Y125-E129 WeakPolarHBondContact CE1-OE1 3.11Å; Y125-E129 PolarHBondContact O-N 3.42Å; W127-E129 VanDerWaalsContact C-N 3.3Å; W127-E129 PolarHBondContact O-N 2.88Å |
| 130 | K | 89 | Confident | 94 | Very high | 150 Ų | 150 | 67.9 Ų | 67.9 | 65% | 0.652 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | -37.5 | -176.8 | -61.5 | 177.5 | -175.4 | 174.2 | 0 | 113.1 | R73 W127 I128 | R73-K130 PolarHBondContact NH2-O 3.45Å; W127-K130 PolarHBondContact O-N 3.1Å; I128-K130 PolarHBondContact O-N 3.28Å |
| 131 | N | 92.1 | Very high | 93.7 | Very high | 77 Ų | 77 | 67 Ų | 67 | 41% | 0.412 | 33% | 0.326 | S | S | . | . | trans | -133.9 | 124.1 | -170.1 | -63.9 | -75.9 | 0 | 0 | 0 | 112.1 | W127 I128 Q133 | W127-N131 HydrophobicContact CD2-CB 4.49Å; W127-N131 HydrophobicContact CZ2-CB 4.12Å; W127-N131 PolarHBondContact O-N 3.35Å; I128-N131 WeakPolarHBondContact CA-O 3.35Å; N131-Q133 VanDerWaalsContact C-N 3.27Å; N131-Q133 PolarHBondContact O-N 3.24Å | ||
| 132 | L | 90.5 | Very high | 93 | Very high | 27 Ų | 27 | 67.8 Ų | 67.8 | 14% | 0.141 | 33% | 0.329 | C | S | . | . | trans | -95.5 | 28.2 | -178.2 | -66.9 | 166.7 | 0 | 0 | 0 | 113 | L69 R73 L76 I128 I141 Y142 | L69-L132 HydrophobicContact CD1-CD1 4.43Å; R73-L132 HydrophobicContact CB-CD2 4.48Å; R73-L132 HydrophobicContact CG-CD1 3.93Å; R73-L132 HydrophobicContact CG-CD2 3.69Å; R73-L132 HydrophobicContact CG-CG 4.23Å; L76-L132 HydrophobicContact CD1-CD2 4.49Å; I128-L132 HydrophobicContact CG2-CD2 3.53Å; L132-I141 PolarHBondContact O-N 3.3Å; L132-Y142 HydrophobicContact CB-CE1 3.61Å; L132-Y142 HydrophobicContact CD1-CE1 3.84Å; L132-Y142 WeakPolarHBondContact CD1-OH 3.42Å; L132-Y142 HydrophobicContact CD2-CE1 3.66Å; L132-Y142 HydrophobicContact CG-CE1 3.82Å | ||
| 133 | Q | 93.3 | Very high | 91.6 | Very high | 103 Ų | 103 | 70.3 Ų | 70.3 | 48% | 0.481 | 34% | 0.337 | S | S | . | . | B | Isolated β-bridge | trans | -126.3 | 149.2 | 179.1 | -68.3 | 170.1 | 25.5 | 0 | 0 | 109.8 | W127 N131 R138 M139 | W127-Q133 PolarHBondContact NE1-O 3.32Å; N131-Q133 VanDerWaalsContact C-N 3.27Å; N131-Q133 PolarHBondContact O-N 3.24Å; Q133-R138 WeakPolarHBondContact CG-O 3.48Å; Q133-R138 PolarHBondContact OE1-O 2.75Å; Q133-M139 CarbonylContact C-O 3.57Å; Q133-M139 WeakPolarHBondContact CA-O 3.43Å |
| 134 | C | 95.6 | Very high | 89.7 | Confident | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.014 | 36% | 0.363 | C | S | . | . | trans | -58.4 | 128 | 175 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | L113 M136 C137 R138 M139 | L113-C134 HydrophobicContact CD1-CB 3.7Å; C134-M136 PolarHBondContact O-N 3.03Å; C134-M136 VanDerWaalsContact O-N 3.11Å; C134-M136 PolarHBondContact SG-N 2.94Å; C134-M136 VanDerWaalsContact SG-N 3.36Å; C134-C137 VanDerWaalsContact SG-SG 3.61Å; C134-R138 WeakPolarHBondContact O-CA 3.41Å; C134-R138 PolarHBondContact O-N 3.28Å; C134-M139 PolarHBondContact N-O 3.13Å | ||
| 135 | P | 96.3 | Very high | 87.1 | Confident | 33 Ų | 33 | 85.5 Ų | 85.5 | 21% | 0.214 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -26.5 | 175.4 | -19.9 | 24.3 | 0 | 0 | 0 | 114.3 | I99 F119 L124 W127 | I99-P135 HydrophobicContact CD1-CG 3.88Å; I99-P135 HydrophobicContact CG1-CB 4.21Å; I99-P135 HydrophobicContact CG1-CG 3.92Å; F119-P135 HydrophobicContact CD1-CG 4.29Å; F119-P135 HydrophobicContact CE1-CB 3.86Å; F119-P135 HydrophobicContact CE1-CG 3.6Å; F119-P135 HydrophobicContact CE2-CG 4.45Å; F119-P135 HydrophobicContact CZ-CB 4.1Å; F119-P135 HydrophobicContact CZ-CG 3.71Å; L124-P135 HydrophobicContact CD1-CG 4.48Å; W127-P135 HydrophobicContact CD2-CB 4.36Å; W127-P135 HydrophobicContact CD2-CG 3.81Å; W127-P135 HydrophobicContact CE3-CG 4.46Å; W127-P135 HydrophobicContact CG-CG 3.96Å; W127-P135 HydrophobicContact CH2-CB 4.32Å; W127-P135 HydrophobicContact CZ2-CB 3.99Å; W127-P135 HydrophobicContact CZ2-CG 4.13Å |
| 136 | M | 96.4 | Very high | 86.8 | Confident | 96 Ų | 96 | 86.2 Ų | 86.2 | 47% | 0.473 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -53.7 | -174.9 | -68 | -72.3 | -87.4 | 0 | 0 | 112.9 | S98 H117 F119 C134 | S98-M136 WeakPolarHBondContact CB-SD 3.38Å; S98-M136 WeakPolarHBondContact OG-CG 3.19Å; S98-M136 PolarHBondContact OG-SD 3.47Å; H117-M136 HydrophobicContact CB-CB 4.47Å; H117-M136 HydrophobicContact CB-CG 4.41Å; F119-M136 HydrophobicContact CE1-CG 3.96Å; F119-M136 HydrophobicContact CZ-CB 4.47Å; F119-M136 HydrophobicContact CZ-CG 3.71Å; C134-M136 PolarHBondContact O-N 3.03Å; C134-M136 VanDerWaalsContact O-N 3.11Å; C134-M136 PolarHBondContact SG-N 2.94Å; C134-M136 VanDerWaalsContact SG-N 3.36Å |
| 137 | C | 96.9 | Very high | 86.4 | Confident | 53 Ų | 53 | 86.5 Ų | 86.5 | 36% | 0.358 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -3.2 | -172.3 | 64.2 | 0 | 0 | 0 | 0 | 114.4 | C115 C134 M139 | C115-C137 VanDerWaalsContact SG-SG 3.61Å; C134-C137 VanDerWaalsContact SG-SG 3.61Å; C137-M139 HydrophobicContact CB-CG 4.38Å; C137-M139 PolarHBondContact O-N 2.87Å; C137-M139 VanDerWaalsContact SG-CG 3.52Å |
| 138 | R | 95.3 | Very high | 86 | Confident | 195 Ų | 195 | 86.6 Ų | 86.6 | 74% | 0.736 | 42% | 0.424 | S | S | * | . | trans | 61.3 | 7.9 | -177.7 | -51.6 | -178.5 | -178.3 | -176.3 | -0.6 | 115.4 | Q133 C134 | Q133-R138 WeakPolarHBondContact CG-O 3.48Å; Q133-R138 PolarHBondContact OE1-O 2.75Å; C134-R138 WeakPolarHBondContact O-CA 3.41Å; C134-R138 PolarHBondContact O-N 3.28Å | ||
| 139 | M | 94.7 | Very high | 85.7 | Confident | 95 Ų | 95 | 91.6 Ų | 91.6 | 47% | 0.468 | 45% | 0.449 | S | S | . | . | trans | -59.7 | 139.4 | 169.6 | -69 | -66.4 | -68.2 | 0 | 0 | 109.7 | C115 Q133 C134 C137 | C115-M139 HydrophobicContact CB-CB 4.23Å; C115-M139 HydrophobicContact CB-CG 4.47Å; Q133-M139 CarbonylContact C-O 3.57Å; Q133-M139 WeakPolarHBondContact CA-O 3.43Å; C134-M139 PolarHBondContact N-O 3.13Å; C137-M139 HydrophobicContact CB-CG 4.38Å; C137-M139 PolarHBondContact O-N 2.87Å; C137-M139 VanDerWaalsContact SG-CG 3.52Å | ||
| 140 | P | 91.7 | Very high | 85.6 | Confident | 68 Ų | 68 | 91.7 Ų | 91.7 | 44% | 0.442 | 45% | 0.45 | S | S | . | . | B | Isolated β-bridge | trans | -52.5 | 142.1 | 171.8 | -24.8 | 34.5 | 0 | 0 | 0 | 111.2 | Y142 | P140-Y142 VanDerWaalsContact CB-O 3.23Å; P140-Y142 WeakPolarHBondContact CB-O 3.27Å |
| 141 | I | 90.8 | Very high | 85.4 | Confident | 7 Ų | 7 | 87.8 Ų | 87.8 | 4% | 0.036 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -72.7 | -23.8 | 176 | -73.1 | 163 | 0 | 0 | 0 | 111.2 | L80 L113 P114 I128 L132 | L80-I141 HydrophobicContact CD1-CG2 3.89Å; L80-I141 HydrophobicContact CD2-CG2 4.19Å; L113-I141 HydrophobicContact CD1-CD1 4.39Å; L113-I141 HydrophobicContact CD1-CG1 3.91Å; L113-I141 HydrophobicContact CD2-CB 4.41Å; L113-I141 HydrophobicContact CD2-CD1 4.27Å; L113-I141 HydrophobicContact CD2-CG1 3.8Å; L113-I141 HydrophobicContact CD2-CG2 3.89Å; L113-I141 HydrophobicContact CG-CG1 4.48Å; P114-I141 WeakPolarHBondContact CG-O 3.16Å; I128-I141 HydrophobicContact CD1-CD1 3.38Å; I128-I141 HydrophobicContact CD1-CG1 4.46Å; I128-I141 HydrophobicContact CD1-CG2 4.35Å; I128-I141 HydrophobicContact CG1-CD1 3.47Å; I128-I141 VanDerWaalsContact CG1-CD1 3.47Å; L132-I141 PolarHBondContact O-N 3.3Å |
| 142 | Y | 82.7 | Confident | 84.9 | Confident | 62 Ų | 62 | 88.6 Ų | 88.6 | 24% | 0.243 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -142.2 | 145.9 | 175.8 | 56.1 | -89.6 | 0 | 0 | 0 | 108 | L76 L132 P140 I144 | L76-Y142 HydrophobicContact CB-CD1 4.4Å; L76-Y142 HydrophobicContact CD1-CD1 3.25Å; L76-Y142 HydrophobicContact CD1-CD2 4.39Å; L76-Y142 HydrophobicContact CD1-CE1 3.14Å; L76-Y142 HydrophobicContact CD1-CE2 4.34Å; L76-Y142 HydrophobicContact CD1-CG 3.9Å; L76-Y142 HydrophobicContact CD2-CD1 3.73Å; L76-Y142 HydrophobicContact CD2-CD2 4.41Å; L76-Y142 HydrophobicContact CD2-CE1 4.46Å; L76-Y142 HydrophobicContact CD2-CG 3.69Å; L76-Y142 HydrophobicContact CG-CD1 3.97Å; L76-Y142 HydrophobicContact CG-CE1 4.31Å; L76-Y142 HydrophobicContact CG-CG 4.39Å; L132-Y142 HydrophobicContact CB-CE1 3.61Å; L132-Y142 HydrophobicContact CD1-CE1 3.84Å; L132-Y142 WeakPolarHBondContact CD1-OH 3.42Å; L132-Y142 HydrophobicContact CD2-CE1 3.66Å; L132-Y142 HydrophobicContact CG-CE1 3.82Å; P140-Y142 VanDerWaalsContact CB-O 3.23Å; P140-Y142 WeakPolarHBondContact CB-O 3.27Å; Y142-I144 HydrophobicContact CD2-CD1 4.18Å; Y142-I144 HydrophobicContact CD2-CG1 3.55Å; Y142-I144 HydrophobicContact CE2-CD1 3.52Å; Y142-I144 HydrophobicContact CE2-CG1 3.43Å; Y142-I144 VanDerWaalsContact CE2-CG1 3.43Å |
| 143 | E | 66.8 | Low | 84.4 | Confident | 151 Ų | 151 | 93.3 Ų | 93.3 | 71% | 0.706 | 46% | 0.462 | S | S | * | . | trans | -93.5 | 120.5 | 164 | -69.1 | 176.1 | 179.1 | 0 | 0 | 106.1 | D145 | E143-D145 PolarHBondContact O-N 3.22Š| ||
| 144 | I | 56.1 | Low | 83.7 | Confident | 140 Ų | 140 | 92.5 Ų | 92.5 | 72% | 0.718 | 46% | 0.46 | S | S | * | . | trans | -85.8 | 102.1 | 163.5 | -58.9 | 170.9 | 0 | 0 | 0 | 104.1 | Y142 | Y142-I144 HydrophobicContact CD2-CD1 4.18Å; Y142-I144 HydrophobicContact CD2-CG1 3.55Å; Y142-I144 HydrophobicContact CE2-CD1 3.52Å; Y142-I144 HydrophobicContact CE2-CG1 3.43Å; Y142-I144 VanDerWaalsContact CE2-CG1 3.43Å | ||
| 145 | D | 41.1 | Very low | 82.6 | Confident | 208 Ų | 208 | 100.7 Ų | 100.7 | 100% | 1.112 | 50% | 0.501 | S | S | * | . | trans | -76.3 | 0 | 162.9 | -70.7 | -29.6 | 0 | 0 | 0 | 110.8 | E143 | E143-D145 PolarHBondContact O-N 3.22Š|
Retrieved 145 of 145 residues in 62.9 ms
(Link to these results)