| 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 | 44.8 | Very low | 44.4 | Very low | 237 Ų | 237 | 139.8 Ų | 139.8 | 100% | 1.167 | 81% | 0.814 | S | S | * | * | 0 | 140.8 | 0 | 49.3 | -162.3 | 170.8 | 0 | 0 | 108 | |||||
| 2 | E | 39.8 | Very low | 44.8 | Very low | 184 Ų | 184 | 138.4 Ų | 138.4 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | 84.1 | 92.9 | 176.2 | -52.8 | -80.6 | 74 | 0 | 0 | 116.1 | ||||
| 3 | T | 44.7 | Very low | 45 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | trans | -60.2 | 140.8 | 159.1 | 45.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 4 | G | 43.1 | Very low | 45.5 | Very low | 82 Ų | 82 | 141.3 Ų | 141.3 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | trans | -163.6 | 75.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 5 | K | 49.5 | Very low | 46 | Very low | 180 Ų | 180 | 139.2 Ų | 139.2 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | trans | -105.5 | 138.2 | 159.9 | -149.1 | 179.6 | -165.7 | -169 | 0 | 106 | T7 | K5-T7 HydrophobicContact CD-CG2 4.3Å; K5-T7 HydrophobicContact CG-CG2 4.47Å | ||
| 6 | P | 48.8 | Very low | 45.8 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 84% | 0.844 | 81% | 0.807 | S | S | * | * | -138.4 | 146 | 102.8 | 25.3 | -7.3 | 0 | 0 | 0 | 113.9 | |||||
| 7 | T | 47.8 | Very low | 45.5 | Very low | 94 Ų | 94 | 134.1 Ų | 134.1 | 58% | 0.577 | 81% | 0.806 | S | S | * | * | trans | -71.5 | 157.4 | 166.6 | 47 | 0 | 0 | 0 | 0 | 111.7 | K5 | K5-T7 HydrophobicContact CD-CG2 4.3Å; K5-T7 HydrophobicContact CG-CG2 4.47Å | ||
| 8 | L | 43.9 | Very low | 45.9 | Very low | 168 Ų | 168 | 134.4 Ų | 134.4 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | trans | 151 | 141.3 | 142.1 | -81.2 | 167.8 | 0 | 0 | 0 | 106 | ||||
| 9 | S | 36.5 | Very low | 46.4 | Very low | 87 Ų | 87 | 140.2 Ų | 140.2 | 61% | 0.608 | 81% | 0.814 | S | S | * | * | cis | 178.1 | 131.2 | -8.5 | 168.7 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 10 | S | 39.4 | Very low | 46.7 | Very low | 109 Ų | 109 | 138.1 Ų | 138.1 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | trans | 63.6 | 145.3 | 153 | -45 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 11 | V | 50.4 | Low | 47 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 75% | 0.745 | 82% | 0.818 | S | S | * | * | cis | -160.2 | 149.3 | 32.5 | -171.9 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 12 | P | 49.3 | Very low | 47.4 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | -72.8 | 132 | 178.5 | 28.6 | -34.7 | 0 | 0 | 0 | 112.6 | ||||
| 13 | V | 47.4 | Very low | 48.2 | Very low | 145 Ų | 145 | 134 Ų | 134 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | trans | -99.1 | 107.7 | 165.1 | 174.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 14 | H | 52.3 | Low | 48.6 | Very low | 172 Ų | 172 | 135.8 Ų | 135.8 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | trans | -87.9 | 121.3 | 174.3 | -160.9 | -93.4 | 0 | 0 | 0 | 110.5 | ||||
| 15 | T | 52.7 | Low | 49 | Very low | 110 Ų | 110 | 142.8 Ų | 142.8 | 68% | 0.675 | 80% | 0.796 | S | S | * | * | trans | -10.3 | 150.2 | 158.7 | 61.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 16 | G | 42.9 | Very low | 49 | Very low | 78 Ų | 78 | 141.3 Ų | 141.3 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 97.6 | 147.8 | 149 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 17 | S | 40.9 | Very low | 49.1 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | cis | -170.7 | 149 | -7.4 | -178.3 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 18 | V | 52.9 | Low | 49.5 | Very low | 139 Ų | 139 | 145.4 Ų | 145.4 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | trans | -44.9 | 135.3 | 176.3 | -74.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 19 | R | 54 | Low | 49.7 | Very low | 244 Ų | 244 | 145.4 Ų | 145.4 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -138 | 109.3 | 153.2 | -147 | 174 | -163.9 | -178.3 | 4 | 110.5 | ||||
| 20 | A | 52.7 | Low | 50.7 | Low | 99 Ų | 99 | 144.6 Ų | 144.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -57.9 | 136.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 21 | Q | 53.2 | Low | 51.4 | Low | 191 Ų | 191 | 144.1 Ų | 144.1 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | trans | -123 | 112.5 | 164 | -159.3 | 137.6 | -1.1 | 0 | 0 | 109.8 | ||||
| 22 | A | 54 | Low | 51.6 | Low | 92 Ų | 92 | 146.7 Ų | 146.7 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -41.2 | 132.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | K24 | A22-K24 PolarHBondContact O-N 3.32Š| ||
| 23 | E | 55 | Low | 52.1 | Low | 190 Ų | 190 | 146.8 Ų | 146.8 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | -62.4 | 112.9 | 166.8 | -60.2 | 178.7 | 122.9 | 0 | 0 | 109.5 | R25 | E23-R25 PolarHBondContact O-N 3.33Å; E23-R25 VanDerWaalsContact O-N 3.1Å | ||
| 24 | K | 53.8 | Low | 52.4 | Low | 181 Ų | 181 | 144 Ų | 144 | 79% | 0.787 | 79% | 0.791 | S | S | * | * | trans | -79.7 | 90.8 | 172.3 | -157.2 | 178.3 | -171.5 | -174.6 | 0 | 108 | A22 M26 | A22-K24 PolarHBondContact O-N 3.32Å; K24-M26 PolarHBondContact O-N 3.31Å; K24-M26 VanDerWaalsContact O-N 3.14Å | ||
| 25 | R | 51.4 | Low | 52.6 | Low | 230 Ų | 230 | 141.4 Ų | 141.4 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | trans | -57.4 | 111.6 | 161.1 | -83.9 | -173.2 | 157.4 | -179.8 | -5.8 | 108.3 | E23 | E23-R25 PolarHBondContact O-N 3.33Å; E23-R25 VanDerWaalsContact O-N 3.1Å | ||
| 26 | M | 49.9 | Very low | 52.2 | Low | 149 Ų | 149 | 144.6 Ų | 144.6 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -99.5 | 105 | 161.3 | -84.4 | -179.2 | 137.5 | 0 | 0 | 107.2 | K24 I28 | K24-M26 PolarHBondContact O-N 3.31Å; K24-M26 VanDerWaalsContact O-N 3.14Å; M26-I28 PolarHBondContact O-N 3.45Å; M26-I28 VanDerWaalsContact O-N 3.14Å | ||
| 27 | D | 50.9 | Low | 53 | Low | 146 Ų | 146 | 147.2 Ų | 147.2 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | trans | -56.2 | 106.8 | 164.5 | -81.1 | -80.5 | 0 | 0 | 0 | 109.6 | Q29 | D27-Q29 PolarHBondContact O-N 3.46Š| ||
| 28 | I | 55.4 | Low | 53.5 | Low | 163 Ų | 163 | 148.1 Ų | 148.1 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | -94.9 | 77.7 | 163.9 | -56.4 | 176.2 | 0 | 0 | 0 | 106.6 | M26 A30 | M26-I28 PolarHBondContact O-N 3.45Å; M26-I28 VanDerWaalsContact O-N 3.14Å; I28-A30 VanDerWaalsContact C-N 3.32Å; I28-A30 PolarHBondContact O-N 3.08Å; I28-A30 VanDerWaalsContact O-N 3.15Å | ||
| 29 | Q | 49.2 | Very low | 53.9 | Low | 168 Ų | 168 | 147.2 Ų | 147.2 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -81.2 | 83.3 | 166.6 | -171.6 | 69.8 | 8.5 | 0 | 0 | 109.3 | D27 | D27-Q29 PolarHBondContact O-N 3.46Š| ||
| 30 | A | 56.9 | Low | 54.4 | Low | 70 Ų | 70 | 142 Ų | 142 | 58% | 0.579 | 76% | 0.764 | S | S | * | * | trans | 55.7 | 177.1 | 136.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | I28 | I28-A30 VanDerWaalsContact C-N 3.32Å; I28-A30 PolarHBondContact O-N 3.08Å; I28-A30 VanDerWaalsContact O-N 3.15Å | ||
| 31 | P | 54.8 | Low | 54.3 | Low | 100 Ų | 100 | 142.7 Ų | 142.7 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | -116.6 | 137 | -119.3 | 30.2 | -10.2 | 0 | 0 | 0 | 112.9 | |||||
| 32 | L | 54.9 | Low | 54.4 | Low | 176 Ų | 176 | 138.3 Ų | 138.3 | 92% | 0.921 | 76% | 0.757 | S | S | * | * | trans | -100.6 | 81.5 | 162.3 | -65.3 | -177.6 | 0 | 0 | 0 | 109.4 | A34 | L32-A34 PolarHBondContact O-N 3.22Š| ||
| 33 | T | 59.3 | Low | 54.4 | Low | 126 Ų | 126 | 139.9 Ų | 139.9 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | -65.9 | 75.4 | 152.8 | 48.7 | 0 | 0 | 0 | 0 | 108.4 | V35 | T33-V35 PolarHBondContact O-N 3.34Š| ||
| 34 | A | 53.6 | Low | 54 | Low | 86 Ų | 86 | 136.1 Ų | 136.1 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | -87.8 | 90.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | L32 Y36 | L32-A34 PolarHBondContact O-N 3.22Å; A34-Y36 PolarHBondContact O-N 3.18Å | ||
| 35 | V | 57 | Low | 53.8 | Low | 117 Ų | 117 | 136.1 Ų | 136.1 | 71% | 0.709 | 75% | 0.754 | S | S | * | * | trans | -57.6 | 97.3 | 167.7 | 166.3 | 0 | 0 | 0 | 0 | 107.9 | T33 I37 | T33-V35 PolarHBondContact O-N 3.34Å; V35-I37 VanDerWaalsContact C-N 3.32Å; V35-I37 HydrophobicContact CG1-CD1 3.92Å; V35-I37 HydrophobicContact CG1-CG1 3.6Å; V35-I37 PolarHBondContact O-N 3.43Å; V35-I37 VanDerWaalsContact O-N 3.12Å | ||
| 36 | Y | 43.8 | Very low | 53.9 | Low | 177 Ų | 177 | 133.5 Ų | 133.5 | 69% | 0.694 | 75% | 0.751 | S | S | * | * | trans | -81.5 | 83.5 | 171.6 | -170.7 | -116.3 | 0 | 0 | 0 | 108.2 | A34 Q38 | A34-Y36 PolarHBondContact O-N 3.18Å; Y36-Q38 VanDerWaalsContact C-N 3.31Å; Y36-Q38 HydrophobicContact CD1-CB 4.06Å; Y36-Q38 HydrophobicContact CD1-CG 4.44Å; Y36-Q38 HydrophobicContact CE1-CB 3.77Å; Y36-Q38 HydrophobicContact CE1-CG 3.65Å; Y36-Q38 PolarHBondContact O-N 3.32Å; Y36-Q38 VanDerWaalsContact O-N 3.09Å; Y36-Q38 PolarHBondContact OH-NE2 3.28Å; Y36-Q38 VanDerWaalsContact OH-NE2 3.14Å | ||
| 37 | I | 60.5 | Low | 53.7 | Low | 134 Ų | 134 | 131.6 Ų | 131.6 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | trans | -74.7 | 96.2 | 163.6 | -63 | 173.8 | 0 | 0 | 0 | 105.8 | V35 T39 | V35-I37 VanDerWaalsContact C-N 3.32Å; V35-I37 HydrophobicContact CG1-CD1 3.92Å; V35-I37 HydrophobicContact CG1-CG1 3.6Å; V35-I37 PolarHBondContact O-N 3.43Å; V35-I37 VanDerWaalsContact O-N 3.12Å; I37-T39 PolarHBondContact O-N 3.05Å; I37-T39 VanDerWaalsContact O-N 3.09Å | ||
| 38 | Q | 50.5 | Low | 53.1 | Low | 132 Ų | 132 | 134.3 Ų | 134.3 | 62% | 0.617 | 75% | 0.751 | S | S | * | * | trans | -72.5 | 101.5 | 168 | -151.1 | 158.5 | 9.7 | 0 | 0 | 107.4 | Y36 V40 | Y36-Q38 VanDerWaalsContact C-N 3.31Å; Y36-Q38 HydrophobicContact CD1-CB 4.06Å; Y36-Q38 HydrophobicContact CD1-CG 4.44Å; Y36-Q38 HydrophobicContact CE1-CB 3.77Å; Y36-Q38 HydrophobicContact CE1-CG 3.65Å; Y36-Q38 PolarHBondContact O-N 3.32Å; Y36-Q38 VanDerWaalsContact O-N 3.09Å; Y36-Q38 PolarHBondContact OH-NE2 3.28Å; Y36-Q38 VanDerWaalsContact OH-NE2 3.14Å; Q38-V40 PolarHBondContact O-N 3.41Å; Q38-V40 VanDerWaalsContact O-N 3.16Å | ||
| 39 | T | 61.1 | Low | 52.6 | Low | 121 Ų | 121 | 134.1 Ų | 134.1 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | trans | -59.9 | 112.1 | 170.3 | 45.9 | 0 | 0 | 0 | 0 | 109 | I37 | I37-T39 PolarHBondContact O-N 3.05Å; I37-T39 VanDerWaalsContact O-N 3.09Å | ||
| 40 | V | 64.1 | Low | 52.4 | Low | 133 Ų | 133 | 133.8 Ų | 133.8 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | trans | -69.3 | 126.9 | 168.9 | -76.7 | 0 | 0 | 0 | 0 | 109.2 | Q38 A42 | Q38-V40 PolarHBondContact O-N 3.41Å; Q38-V40 VanDerWaalsContact O-N 3.16Å; V40-A42 PolarHBondContact O-N 3.31Å | ||
| 41 | P | 52 | Low | 51.6 | Low | 115 Ų | 115 | 136.3 Ų | 136.3 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | trans | -67.8 | 127.9 | 172.4 | 26.8 | -31.5 | 0 | 0 | 0 | 109.4 | V43 | P41-V43 PolarHBondContact O-N 3.41Š| ||
| 42 | A | 54.3 | Low | 50.7 | Low | 99 Ų | 99 | 137 Ų | 137 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -61.1 | 114.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | V40 | V40-A42 PolarHBondContact O-N 3.31Š| ||
| 43 | V | 53.4 | Low | 50.4 | Low | 125 Ų | 125 | 132.8 Ų | 132.8 | 76% | 0.758 | 76% | 0.757 | S | S | * | * | trans | -77.1 | 123.8 | 170.5 | -179.3 | 0 | 0 | 0 | 0 | 107.7 | P41 M45 | P41-V43 PolarHBondContact O-N 3.41Å; V43-M45 PolarHBondContact O-N 3.23Å | ||
| 44 | P | 46.9 | Very low | 49.3 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | trans | -67.5 | 119.4 | 175.3 | 25.9 | -31.4 | 0 | 0 | 0 | 109.9 | Q46 | P44-Q46 PolarHBondContact O-N 3.17Š| ||
| 45 | M | 49.9 | Very low | 48.4 | Very low | 181 Ų | 181 | 134.4 Ų | 134.4 | 89% | 0.892 | 76% | 0.761 | S | S | * | * | trans | -61.2 | 112.1 | 165.9 | -80.3 | -89.6 | 106.3 | 0 | 0 | 108.9 | V43 | V43-M45 PolarHBondContact O-N 3.23Š| ||
| 46 | Q | 53.3 | Low | 47.5 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -82.4 | 144.4 | 166.1 | -70.1 | -148.9 | -39.7 | 0 | 0 | 110.4 | P44 | P44-Q46 PolarHBondContact O-N 3.17Š| ||
| 47 | P | 45.3 | Very low | 47.4 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | -71 | 140.3 | -177.6 | 28.4 | -32.3 | 0 | 0 | 0 | 111.5 | L49 | P47-L49 PolarHBondContact O-N 3.37Å; P47-L49 VanDerWaalsContact O-N 3.08Å | ||
| 48 | Y | 39.6 | Very low | 46.4 | Very low | 204 Ų | 204 | 141.1 Ų | 141.1 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | trans | -60.4 | 101.4 | 172.6 | -168.9 | -97.1 | 0 | 0 | 0 | 110 | Q50 | Y48-Q50 HydrophobicContact CD1-CG 4.1Å; Y48-Q50 HydrophobicContact CE1-CG 4.07Å | ||
| 49 | L | 44.2 | Very low | 45.9 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 119.4 | 163.9 | -87.5 | 106 | 0 | 0 | 0 | 108.6 | P47 | P47-L49 PolarHBondContact O-N 3.37Å; P47-L49 VanDerWaalsContact O-N 3.08Å |
| 50 | Q | 46.1 | Very low | 44.8 | Very low | 161 Ų | 161 | 140.3 Ų | 140.3 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 143.5 | 169.5 | -64.9 | -161.2 | -91.9 | 0 | 0 | 110.5 | Y48 S52 | Y48-Q50 HydrophobicContact CD1-CG 4.1Å; Y48-Q50 HydrophobicContact CE1-CG 4.07Å; Q50-S52 PolarHBondContact O-N 3.14Å |
| 51 | P | 38.8 | Very low | 43.6 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 118.5 | 168.9 | -14.6 | 29 | 0 | 0 | 0 | 110.4 | ||
| 52 | S | 37.2 | Very low | 43 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 127.6 | 164.4 | 53.6 | 0 | 0 | 0 | 0 | 109.5 | Q50 D54 | Q50-S52 PolarHBondContact O-N 3.14Å; S52-D54 PolarHBondContact O-N 3.45Å |
| 53 | A | 48.6 | Very low | 42.3 | Very low | 89 Ų | 89 | 146.1 Ų | 146.1 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 121 | 158.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||
| 54 | D | 36 | Very low | 41.4 | Very low | 157 Ų | 157 | 145 Ų | 145 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | 178.7 | 132.5 | 129.3 | -100.3 | -55.2 | 0 | 0 | 0 | 112.9 | S52 | S52-D54 PolarHBondContact O-N 3.45Š| |||
| 55 | A | 33.4 | Very low | 40.9 | Very low | 88 Ų | 88 | 148.1 Ų | 148.1 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | 62.1 | 113.1 | 146.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 56 | R | 37.7 | Very low | 41.1 | Very low | 243 Ų | 243 | 144.2 Ų | 144.2 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | -160.4 | 74.5 | 125.2 | -106.1 | 178.6 | 119.5 | 169.5 | 1.9 | 111.4 | |||||
| 57 | E | 42.1 | Very low | 41 | Very low | 198 Ų | 198 | 140.8 Ų | 140.8 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | trans | -116.2 | 109.5 | 151.3 | -116.5 | 178.4 | 114.7 | 0 | 0 | 107.1 | ||||
| 58 | T | 40.8 | Very low | 40.4 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -126.3 | 99.9 | 168.6 | 54 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 59 | N | 40.1 | Very low | 40.3 | Very low | 162 Ų | 162 | 142.9 Ų | 142.9 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | -138.6 | 91.5 | 149.7 | -124.7 | -24.8 | 0 | 0 | 0 | 109.4 | ||||
| 60 | A | 37.5 | Very low | 39.8 | Very low | 74 Ų | 74 | 140.9 Ų | 140.9 | 61% | 0.612 | 79% | 0.789 | S | S | * | * | 45.6 | 118.2 | 126.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 61 | L | 39.1 | Very low | 39.6 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | trans | 69.8 | 112.2 | 145.1 | -76.7 | 95.3 | 0 | 0 | 0 | 119.1 | ||||
| 62 | H | 39.8 | Very low | 39.8 | Very low | 178 Ų | 178 | 143 Ų | 143 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | -163.2 | 155.3 | 96.5 | -135 | -148.5 | 0 | 0 | 0 | 112.8 | |||||
| 63 | L | 38 | Very low | 40.3 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 73% | 0.728 | 78% | 0.782 | S | S | * | * | trans | -68.5 | 151.2 | -165.7 | -67 | 70.1 | 0 | 0 | 0 | 114.9 | ||||
| 64 | A | 35.5 | Very low | 40.4 | Very low | 102 Ų | 102 | 146.6 Ų | 146.6 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | 150.6 | 144.5 | 117.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 65 | M | 35.7 | Very low | 41.2 | Very low | 177 Ų | 177 | 144.7 Ų | 144.7 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | -63.1 | 163.3 | -169.3 | -75.3 | -118.1 | 77.9 | 0 | 0 | 116.6 | ||||
| 66 | P | 54.2 | Low | 41.5 | Very low | 99 Ų | 99 | 148.8 Ų | 148.8 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | trans | -84 | -164.8 | -178.7 | 42.3 | -37.8 | 0 | 0 | 0 | 110 | ||||
| 67 | P | 50.5 | Low | 41.8 | Very low | 102 Ų | 102 | 143.8 Ų | 143.8 | 66% | 0.662 | 78% | 0.776 | S | S | * | * | cis | -138.4 | -175.6 | 6.3 | 38.2 | -16.6 | 0 | 0 | 0 | 114.2 | ||||
| 68 | L | 34.3 | Very low | 42 | Very low | 173 Ų | 173 | 140.4 Ų | 140.4 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | -161.4 | 104.5 | 125.8 | -82.1 | -158.2 | 0 | 0 | 0 | 110.5 | |||||
| 69 | Y | 35.9 | Very low | 42.4 | Very low | 184 Ų | 184 | 141.2 Ų | 141.2 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 124.9 | 164.7 | 170.8 | -113.4 | 0 | 0 | 0 | 108.9 | K71 | Y69-K71 HydrophobicContact CD1-CD 4.39Å; Y69-K71 HydrophobicContact CD1-CG 3.64Å; Y69-K71 HydrophobicContact CE1-CB 4.34Å; Y69-K71 HydrophobicContact CE1-CD 3.88Å; Y69-K71 VanDerWaalsContact CE1-CE 3.43Å; Y69-K71 HydrophobicContact CE1-CG 3.08Å |
| 70 | S | 34.9 | Very low | 42.7 | Very low | 117 Ų | 117 | 142.1 Ų | 142.1 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 125.4 | 160.6 | 62.3 | 0 | 0 | 0 | 0 | 109.5 | ||
| 71 | K | 40.7 | Very low | 42.9 | Very low | 147 Ų | 147 | 145.5 Ų | 145.5 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 131.7 | 179.9 | -68.7 | 169.4 | 175.5 | 176.9 | 0 | 108.7 | Y69 | Y69-K71 HydrophobicContact CD1-CD 4.39Å; Y69-K71 HydrophobicContact CD1-CG 3.64Å; Y69-K71 HydrophobicContact CE1-CB 4.34Å; Y69-K71 HydrophobicContact CE1-CD 3.88Å; Y69-K71 VanDerWaalsContact CE1-CE 3.43Å; Y69-K71 HydrophobicContact CE1-CG 3.08Å |
| 72 | E | 44.8 | Very low | 42.9 | Very low | 182 Ų | 182 | 143.4 Ų | 143.4 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | trans | -126.1 | 93.8 | 151.5 | -70.5 | -71.3 | 108.9 | 0 | 0 | 107.6 | ||||
| 73 | T | 46.5 | Very low | 42.9 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 71% | 0.712 | 78% | 0.776 | S | S | * | * | trans | 49.8 | 99.3 | 135.7 | -44 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 74 | L | 50.5 | Low | 43.3 | Very low | 161 Ų | 161 | 135.7 Ų | 135.7 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | -84 | 149.2 | 147.3 | -65.5 | 173.7 | 0 | 0 | 0 | 109.9 | ||||
| 75 | P | 53.7 | Low | 43.5 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | -123.9 | 112.1 | 128.6 | 32.3 | -25.4 | 0 | 0 | 0 | 110.3 | |||||
| 76 | F | 39 | Very low | 44 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 77% | 0.768 | 77% | 0.773 | S | S | * | * | 62 | 104.1 | 98.3 | -106.1 | -94.8 | 0 | 0 | 0 | 115.6 | |||||
| 77 | L | 44.8 | Very low | 43.6 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 72% | 0.723 | 78% | 0.779 | S | S | * | * | trans | 53.5 | 109.6 | 141 | -61.7 | 178.1 | 0 | 0 | 0 | 119.6 | ||||
| 78 | T | 46.9 | Very low | 43.5 | Very low | 126 Ų | 126 | 141 Ų | 141 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | -142.4 | 106.5 | 129.8 | -63.7 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 79 | L | 48.3 | Very low | 43.8 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | -75.2 | 121.4 | 167.4 | -170.5 | 72.9 | 0 | 0 | 0 | 107.8 | L81 | L79-L81 HydrophobicContact CD2-CD1 4.16Å; L79-L81 HydrophobicContact CG-CD1 4.21Å | ||
| 80 | H | 46.1 | Very low | 44.4 | Very low | 181 Ų | 181 | 135.9 Ų | 135.9 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -124.1 | 126.3 | 159.1 | -94.4 | 116.4 | 0 | 0 | 0 | 110.1 | ||||
| 81 | L | 42.9 | Very low | 44.6 | Very low | 145 Ų | 145 | 139 Ų | 139 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | -78 | 152.6 | 179.7 | -109.3 | 63.1 | 0 | 0 | 0 | 111.7 | L79 | L79-L81 HydrophobicContact CD2-CD1 4.16Å; L79-L81 HydrophobicContact CG-CD1 4.21Å | ||
| 82 | A | 38.3 | Very low | 44.4 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | 81.1 | 118.1 | 151.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 83 | G | 39.8 | Very low | 44.6 | Very low | 76 Ų | 76 | 132.5 Ų | 132.5 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | trans | 158.9 | 88.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 84 | G | 46.8 | Very low | 44.4 | Very low | 79 Ų | 79 | 132.7 Ų | 132.7 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | trans | -64.1 | 138.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 85 | L | 39.5 | Very low | 43.9 | Very low | 173 Ų | 173 | 128.7 Ų | 128.7 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | trans | -141 | 145.1 | 163 | -85.7 | 166.6 | 0 | 0 | 0 | 109.4 | ||||
| 86 | Q | 45.3 | Very low | 43.5 | Very low | 142 Ų | 142 | 129.4 Ų | 129.4 | 66% | 0.664 | 79% | 0.785 | S | S | * | * | trans | -56.7 | 155 | -160.7 | -63.3 | 168.4 | -1.7 | 0 | 0 | 116.3 | Q88 | Q86-Q88 PolarHBondContact O-N 3.18Š| ||
| 87 | P | 46 | Very low | 43.5 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | trans | -78.7 | 104.5 | 163.2 | 30.6 | -27 | 0 | 0 | 0 | 109.5 | ||||
| 88 | Q | 48.6 | Very low | 43.6 | Very low | 158 Ų | 158 | 126.2 Ų | 126.2 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | -94.7 | 112.1 | 169 | -65.6 | -73.7 | 29.9 | 0 | 0 | 109.5 | Q86 | Q86-Q88 PolarHBondContact O-N 3.18Š| ||
| 89 | M | 41.3 | Very low | 44 | Very low | 177 Ų | 177 | 124.7 Ų | 124.7 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -70.7 | 139.6 | 167.9 | -51.9 | -82.6 | -85.9 | 0 | 0 | 108.6 | ||||
| 90 | G | 47.7 | Very low | 43.9 | Very low | 73 Ų | 73 | 122.2 Ų | 122.2 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | 100.9 | 84.8 | 155.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 91 | L | 39.4 | Very low | 43.8 | Very low | 181 Ų | 181 | 122.9 Ų | 122.9 | 95% | 0.948 | 79% | 0.789 | S | S | * | * | trans | -112 | 83.3 | 147.8 | -75.2 | 167.8 | 0 | 0 | 0 | 107.4 | A93 | L91-A93 PolarHBondContact O-N 3.24Š| ||
| 92 | S | 36.9 | Very low | 44 | Very low | 112 Ų | 112 | 121.1 Ų | 121.1 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 126.7 | 157.5 | 178.1 | 0 | 0 | 0 | 0 | 107.6 | ||
| 93 | A | 48.9 | Very low | 45 | Very low | 81 Ų | 81 | 126.4 Ų | 126.4 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 134.9 | 167 | 0 | 0 | 0 | 0 | 0 | 109.4 | L91 A95 | L91-A93 PolarHBondContact O-N 3.24Å; A93-A95 PolarHBondContact O-N 2.8Å; A93-A95 VanDerWaalsContact O-N 3.15Å |
| 94 | P | 42.5 | Very low | 45.3 | Very low | 121 Ų | 121 | 126.5 Ų | 126.5 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 117.6 | 169 | 26.5 | -30.7 | 0 | 0 | 0 | 107.8 | ||
| 95 | A | 40.2 | Very low | 46.1 | Very low | 76 Ų | 76 | 128.6 Ų | 128.6 | 63% | 0.628 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 147.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | A93 T97 | A93-A95 PolarHBondContact O-N 2.8Å; A93-A95 VanDerWaalsContact O-N 3.15Å; A95-T97 VanDerWaalsContact C-N 3.35Å; A95-T97 PolarHBondContact O-N 2.77Å |
| 96 | P | 43.8 | Very low | 47.3 | Very low | 132 Ų | 132 | 122 Ų | 122 | 86% | 0.857 | 76% | 0.762 | S | S | * | * | trans | -59 | 101 | 175.9 | 25.1 | -33.2 | 0 | 0 | 0 | 108.4 | ||||
| 97 | T | 38.8 | Very low | 48.6 | Very low | 117 Ų | 117 | 122.7 Ų | 122.7 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | trans | -61.7 | 130.7 | 176.2 | 49.3 | 0 | 0 | 0 | 0 | 107.5 | A95 A99 | A95-T97 VanDerWaalsContact C-N 3.35Å; A95-T97 PolarHBondContact O-N 2.77Å; T97-A99 PolarHBondContact O-N 2.71Å | ||
| 98 | P | 48.7 | Very low | 50.4 | Low | 128 Ų | 128 | 119.6 Ų | 119.6 | 83% | 0.831 | 74% | 0.738 | S | S | * | * | trans | -60.6 | 107.2 | 169.9 | 24.3 | -30.8 | 0 | 0 | 0 | 107.4 | A100 | P98-A100 PolarHBondContact O-N 2.8Å; P98-A100 VanDerWaalsContact O-N 3.07Å | ||
| 99 | A | 53.6 | Low | 52.1 | Low | 94 Ų | 94 | 115.6 Ų | 115.6 | 78% | 0.777 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 118.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | T97 K101 | T97-A99 PolarHBondContact O-N 2.71Å; A99-K101 PolarHBondContact O-N 3.18Å |
| 100 | A | 47 | Very low | 54.2 | Low | 95 Ų | 95 | 107.2 Ų | 107.2 | 79% | 0.785 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 128.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | P98 P102 | P98-A100 PolarHBondContact O-N 2.8Å; P98-A100 VanDerWaalsContact O-N 3.07Å; A100-P102 VanDerWaalsContact O-CD 3.28Å; A100-P102 WeakPolarHBondContact O-CD 3.42Å |
| 101 | K | 43.4 | Very low | 56 | Low | 194 Ų | 194 | 108.6 Ų | 108.6 | 84% | 0.843 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 119.2 | 179.7 | -70.8 | 171.1 | 179.8 | 175.6 | 0 | 110.2 | A99 K103 | A99-K101 PolarHBondContact O-N 3.18Å; K101-K103 PolarHBondContact O-N 3.5Å |
| 102 | P | 48 | Very low | 58 | Low | 108 Ų | 108 | 106 Ų | 106 | 70% | 0.701 | 66% | 0.661 | S | S | * | * | trans | -70.3 | 114.3 | 164.4 | 27.1 | -29.8 | 0 | 0 | 0 | 109 | A100 S104 | A100-P102 VanDerWaalsContact O-CD 3.28Å; A100-P102 WeakPolarHBondContact O-CD 3.42Å; P102-S104 VanDerWaalsContact C-N 3.3Å; P102-S104 PolarHBondContact O-N 3.25Å; P102-S104 VanDerWaalsContact O-N 3.14Å | ||
| 103 | K | 58.5 | Low | 60.3 | Low | 219 Ų | 219 | 103.1 Ų | 103.1 | 95% | 0.952 | 64% | 0.641 | S | S | * | * | trans | -77.1 | 85.1 | 163.1 | -75.6 | 178.9 | 178.7 | 175.5 | 0 | 108 | K101 | K101-K103 PolarHBondContact O-N 3.5Š| ||
| 104 | S | 45.8 | Very low | 61.8 | Low | 78 Ų | 78 | 101.7 Ų | 101.7 | 55% | 0.545 | 63% | 0.634 | S | S | . | * | trans | -130 | 124.2 | 161 | 57.3 | 0 | 0 | 0 | 0 | 107.4 | P102 G106 | P102-S104 VanDerWaalsContact C-N 3.3Å; P102-S104 PolarHBondContact O-N 3.25Å; P102-S104 VanDerWaalsContact O-N 3.14Å; S104-G106 PolarHBondContact O-N 3.1Å | ||
| 105 | A | 64 | Low | 63.7 | Low | 124 Ų | 124 | 101.8 Ų | 101.8 | 100% | 1.025 | 62% | 0.619 | S | S | * | * | trans | -67.7 | 74.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 106 | G | 64.3 | Low | 65.6 | Low | 35 Ų | 35 | 101.6 Ų | 101.6 | 36% | 0.361 | 61% | 0.607 | S | S | . | * | trans | -129.3 | 140.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | S104 H108 | S104-G106 PolarHBondContact O-N 3.1Å; G106-H108 PolarHBondContact O-CE1 3.45Å; G106-H108 PolarHBondContact O-N 2.99Å; G106-H108 PolarHBondContact O-ND1 3.44Å | ||
| 107 | K | 72.8 | Confident | 67.4 | Low | 155 Ų | 155 | 95.5 Ų | 95.5 | 67% | 0.674 | 57% | 0.568 | S | S | * | * | trans | -53.6 | 137.2 | 176.7 | -65.9 | -174.7 | 169.8 | -142.8 | 0 | 109.9 | V109 D116 | K107-V109 HydrophobicContact CB-CG2 4.33Å; K107-V109 PolarHBondContact O-N 3.32Å; K107-D116 HydrophobicContact CD-CB 4.25Å; K107-D116 IonicContact NZ-OD2 3.09Å; K107-D116 PolarHBondContact NZ-OD2 3.49Å; K107-D116 VanDerWaalsContact NZ-OD2 3.09Å | ||
| 108 | H | 83.8 | Confident | 69.3 | Low | 53 Ų | 53 | 98.3 Ų | 98.3 | 25% | 0.245 | 58% | 0.575 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -94 | 95.2 | 179.2 | -66.4 | 77.2 | 0 | 0 | 0 | 108.2 | G106 C117 L123 | G106-H108 PolarHBondContact O-CE1 3.45Å; G106-H108 PolarHBondContact O-N 2.99Å; G106-H108 PolarHBondContact O-ND1 3.44Å; H108-C117 HydrophobicContact CB-CB 4.26Å; H108-C117 WeakPolarHBondContact CB-O 3.17Å; H108-C117 PolarHBondContact N-O 3.42Å; H108-C117 VanDerWaalsContact O-CA 3.31Å; H108-C117 WeakPolarHBondContact O-CA 3.29Å; H108-C117 WeakPolarHBondContact O-CB 3.12Å; H108-C117 PolarHBondContact O-N 3.5Å; H108-L123 HydrophobicContact CB-CB 4.09Å; H108-L123 HydrophobicContact CB-CD2 3.84Å |
| 109 | V | 85.2 | Confident | 71 | Confident | 74 Ų | 74 | 98.1 Ų | 98.1 | 45% | 0.448 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.3 | 139.7 | -173 | -176.7 | 0 | 0 | 0 | 0 | 110.9 | K107 G114 R115 | K107-V109 HydrophobicContact CB-CG2 4.33Å; K107-V109 PolarHBondContact O-N 3.32Å; V109-G114 VanDerWaalsContact CG1-O 3.29Å; V109-G114 WeakPolarHBondContact CG1-O 3.42Å; V109-R115 CarbonylContact C-O 3.57Å; V109-R115 WeakPolarHBondContact CA-O 3.48Å |
| 110 | C | 85.5 | Confident | 72.5 | Confident | 2 Ų | 2 | 97.2 Ų | 97.2 | 1% | 0.014 | 55% | 0.547 | C | S | . | . | trans | -71.3 | 127.4 | 173.7 | -177 | 0 | 0 | 0 | 0 | 111.3 | H112 C113 G114 R115 L123 H126 H130 | C110-H112 VanDerWaalsContact C-N 3.26Å; C110-H112 PolarHBondContact O-N 3.18Å; C110-H112 PolarHBondContact SG-N 3.27Å; C110-H112 VanDerWaalsContact SG-N 3.44Å; C110-C113 VanDerWaalsContact CB-SG 3.54Å; C110-G114 WeakPolarHBondContact O-CA 3.43Å; C110-G114 PolarHBondContact O-N 2.89Å; C110-R115 HydrophobicContact CB-CB 4.31Å; C110-R115 PolarHBondContact N-O 3.31Å; C110-L123 HydrophobicContact CB-CD1 3.91Å; C110-H126 WeakPolarHBondContact CB-NE2 3.43Å; C110-H126 PolarHBondContact SG-CD2 3.08Å; C110-H126 PolarHBondContact SG-NE2 3.03Å; C110-H130 PolarHBondContact SG-NE2 3.02Å | ||
| 111 | P | 84 | Confident | 74.2 | Confident | 101 Ų | 101 | 95.4 Ų | 95.4 | 66% | 0.656 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -19.5 | 178.3 | 29.5 | -35.7 | 0 | 0 | 0 | 113.7 | L127 | P111-L127 HydrophobicContact CG-CD2 4.14Š|
| 112 | H | 82.8 | Confident | 76.1 | Confident | 126 Ų | 126 | 89.6 Ų | 89.6 | 58% | 0.583 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -32.5 | -176.3 | -64.3 | -65.3 | 0 | 0 | 0 | 113.4 | C110 H130 | C110-H112 VanDerWaalsContact C-N 3.26Å; C110-H112 PolarHBondContact O-N 3.18Å; C110-H112 PolarHBondContact SG-N 3.27Å; C110-H112 VanDerWaalsContact SG-N 3.44Å; H112-H130 VanDerWaalsContact CB-CE1 3.43Å; H112-H130 WeakPolarHBondContact CB-CE1 3.41Å; H112-H130 WeakPolarHBondContact CB-NE2 3.46Å; H112-H130 AromaticContact CD2-CD2 3.82Å; H112-H130 AromaticContact CD2-CG 3.77Å; H112-H130 AromaticContact CG-CG 3.88Å |
| 113 | C | 84.9 | Confident | 77.9 | Confident | 52 Ų | 52 | 85.7 Ų | 85.7 | 35% | 0.351 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.8 | 0.4 | -177 | 66.3 | 0 | 0 | 0 | 0 | 114.3 | C110 R115 H126 C195 | C110-C113 VanDerWaalsContact CB-SG 3.54Å; C113-R115 PolarHBondContact O-N 3.25Å; C113-R115 VanDerWaalsContact O-N 3.13Å; C113-H126 PolarHBondContact SG-NE2 3.35Å; C113-C195 HydrophobicContact CB-CB 4.09Å |
| 114 | G | 81.1 | Confident | 79.2 | Confident | 52 Ų | 52 | 80.4 Ų | 80.4 | 54% | 0.536 | 46% | 0.461 | S | S | . | . | trans | 70.4 | 4.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | V109 C110 D116 | V109-G114 VanDerWaalsContact CG1-O 3.29Å; V109-G114 WeakPolarHBondContact CG1-O 3.42Å; C110-G114 WeakPolarHBondContact O-CA 3.43Å; C110-G114 PolarHBondContact O-N 2.89Å; G114-D116 PolarHBondContact O-N 3.48Å | ||
| 115 | R | 81.1 | Confident | 80.8 | Confident | 122 Ų | 122 | 81.6 Ų | 81.6 | 46% | 0.46 | 46% | 0.457 | S | S | . | . | trans | -63 | 130 | -179.7 | -173.9 | 174.1 | -170.2 | 170.6 | 6.7 | 111.8 | V109 C110 C113 C117 | V109-R115 CarbonylContact C-O 3.57Å; V109-R115 WeakPolarHBondContact CA-O 3.48Å; C110-R115 HydrophobicContact CB-CB 4.31Å; C110-R115 PolarHBondContact N-O 3.31Å; C113-R115 PolarHBondContact O-N 3.25Å; C113-R115 VanDerWaalsContact O-N 3.13Å; R115-C117 PolarHBondContact O-N 3.33Å | ||
| 116 | D | 81.5 | Confident | 81.8 | Confident | 72 Ų | 72 | 76.5 Ų | 76.5 | 39% | 0.385 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 115.4 | 173.6 | 75.2 | -57.8 | 0 | 0 | 0 | 111.2 | K107 G114 | K107-D116 HydrophobicContact CD-CB 4.25Å; K107-D116 IonicContact NZ-OD2 3.09Å; K107-D116 PolarHBondContact NZ-OD2 3.49Å; K107-D116 VanDerWaalsContact NZ-OD2 3.09Å; G114-D116 PolarHBondContact O-N 3.48Å |
| 117 | C | 81 | Confident | 82.7 | Confident | 5 Ų | 5 | 77.3 Ų | 77.3 | 3% | 0.034 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 129.7 | 171.5 | -57.6 | 0 | 0 | 0 | 0 | 108.9 | H108 R115 K119 V122 L123 | H108-C117 HydrophobicContact CB-CB 4.26Å; H108-C117 WeakPolarHBondContact CB-O 3.17Å; H108-C117 PolarHBondContact N-O 3.42Å; H108-C117 VanDerWaalsContact O-CA 3.31Å; H108-C117 WeakPolarHBondContact O-CA 3.29Å; H108-C117 WeakPolarHBondContact O-CB 3.12Å; H108-C117 PolarHBondContact O-N 3.5Å; R115-C117 PolarHBondContact O-N 3.33Å; C117-K119 PolarHBondContact O-N 3.15Å; C117-V122 HydrophobicContact CB-CB 4.28Å; C117-V122 HydrophobicContact CB-CG1 4.14Å; C117-L123 HydrophobicContact CB-CB 3.81Å |
| 118 | M | 79.4 | Confident | 83.2 | Confident | 176 Ų | 176 | 71.4 Ų | 71.4 | 87% | 0.867 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -69.2 | -20.3 | -179 | -153.4 | -179.1 | 178.9 | 0 | 0 | 112.7 | ||
| 119 | K | 84 | Confident | 83.1 | Confident | 123 Ų | 123 | 70.1 Ų | 70.1 | 54% | 0.535 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -140.6 | 147.3 | -176.8 | -64.4 | 174.3 | -174.1 | 165.6 | 0 | 110.5 | C117 S121 V122 L123 | C117-K119 PolarHBondContact O-N 3.15Å; K119-S121 VanDerWaalsContact C-N 3.28Å; K119-S121 PolarHBondContact O-N 3.13Å; K119-V122 HydrophobicContact CB-CB 4.45Å; K119-V122 HydrophobicContact CB-CG2 4.05Å; K119-V122 WeakPolarHBondContact O-CB 3.49Å; K119-V122 PolarHBondContact O-N 3.44Å; K119-L123 PolarHBondContact O-N 3.45Å; K119-L123 VanDerWaalsContact O-N 3.12Å |
| 120 | P | 84 | Confident | 82.9 | Confident | 75 Ų | 75 | 69.9 Ų | 69.9 | 49% | 0.487 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.7 | -36.1 | 177.6 | 22.2 | -30.7 | 0 | 0 | 0 | 112.3 | V122 L123 E124 | P120-V122 PolarHBondContact O-N 3.16Å; P120-L123 WeakPolarHBondContact O-CB 3.49Å; P120-L123 PolarHBondContact O-N 3.09Å; P120-E124 PolarHBondContact O-N 3.09Å |
| 121 | S | 83.7 | Confident | 82.8 | Confident | 58 Ų | 58 | 73.8 Ų | 73.8 | 41% | 0.406 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.6 | -22.6 | 177.4 | 56.9 | 0 | 0 | 0 | 0 | 113.7 | K119 K125 | K119-S121 VanDerWaalsContact C-N 3.28Å; K119-S121 PolarHBondContact O-N 3.13Å; S121-K125 WeakPolarHBondContact O-CD 3.41Å; S121-K125 VanDerWaalsContact O-CG 3.29Å; S121-K125 WeakPolarHBondContact O-CG 3.46Å; S121-K125 PolarHBondContact O-N 3.15Å |
| 122 | V | 83.9 | Confident | 82.7 | Confident | 71 Ų | 71 | 71 Ų | 71 | 43% | 0.43 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -78.4 | -43.7 | 172.2 | 175.4 | 0 | 0 | 0 | 0 | 109.2 | C117 K119 P120 E124 K125 H126 | C117-V122 HydrophobicContact CB-CB 4.28Å; C117-V122 HydrophobicContact CB-CG1 4.14Å; K119-V122 HydrophobicContact CB-CB 4.45Å; K119-V122 HydrophobicContact CB-CG2 4.05Å; K119-V122 WeakPolarHBondContact O-CB 3.49Å; K119-V122 PolarHBondContact O-N 3.44Å; P120-V122 PolarHBondContact O-N 3.16Å; V122-E124 PolarHBondContact O-N 3.26Å; V122-K125 PolarHBondContact O-N 2.8Å; V122-H126 VanDerWaalsContact O-CB 3.26Å; V122-H126 WeakPolarHBondContact O-CB 3.48Å; V122-H126 PolarHBondContact O-N 3.42Å |
| 123 | L | 85.3 | Confident | 82.6 | Confident | 27 Ų | 27 | 70.9 Ų | 70.9 | 14% | 0.141 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -57.5 | -47.6 | 174 | 177.3 | 59.7 | 0 | 0 | 0 | 111.4 | H108 C110 C117 K119 P120 K125 H126 L127 | H108-L123 HydrophobicContact CB-CB 4.09Å; H108-L123 HydrophobicContact CB-CD2 3.84Å; C110-L123 HydrophobicContact CB-CD1 3.91Å; C117-L123 HydrophobicContact CB-CB 3.81Å; K119-L123 PolarHBondContact O-N 3.45Å; K119-L123 VanDerWaalsContact O-N 3.12Å; P120-L123 WeakPolarHBondContact O-CB 3.49Å; P120-L123 PolarHBondContact O-N 3.09Å; L123-K125 PolarHBondContact O-N 2.94Å; L123-H126 CarbonylContact O-C 3.55Å; L123-H126 WeakPolarHBondContact O-CA 3.44Å; L123-H126 WeakPolarHBondContact O-CB 3.4Å; L123-H126 PolarHBondContact O-N 2.75Å; L123-H126 VanDerWaalsContact O-N 3.11Å; L123-L127 HydrophobicContact CD1-CD2 4.4Å; L123-L127 HydrophobicContact CD1-CG 4.22Å; L123-L127 HydrophobicContact CG-CD1 4.43Å; L123-L127 HydrophobicContact CG-CG 4.44Å; L123-L127 WeakPolarHBondContact O-CG 3.45Å; L123-L127 PolarHBondContact O-N 3.36Å |
| 124 | E | 84.4 | Confident | 82.6 | Confident | 108 Ų | 108 | 72.9 Ų | 72.9 | 51% | 0.505 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.3 | -43 | -179.9 | -168.3 | -159.2 | 136 | 0 | 0 | 112.4 | P120 V122 H126 L127 R128 | P120-E124 PolarHBondContact O-N 3.09Å; V122-E124 PolarHBondContact O-N 3.26Å; E124-H126 VanDerWaalsContact C-N 3.34Å; E124-L127 PolarHBondContact O-N 3.45Å; E124-R128 IonicContact OE1-CZ 3.95Å; E124-R128 IonicContact OE1-NH2 2.87Å; E124-R128 PolarHBondContact OE1-NH2 3.06Å |
| 125 | K | 81.2 | Confident | 82.7 | Confident | 103 Ų | 103 | 73.6 Ų | 73.6 | 45% | 0.448 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.9 | -38.6 | 175.2 | -70.6 | 173.1 | -171.7 | 178.2 | 0 | 111.6 | S121 V122 L123 R128 T147 | S121-K125 WeakPolarHBondContact O-CD 3.41Å; S121-K125 VanDerWaalsContact O-CG 3.29Å; S121-K125 WeakPolarHBondContact O-CG 3.46Å; S121-K125 PolarHBondContact O-N 3.15Å; V122-K125 PolarHBondContact O-N 2.8Å; L123-K125 PolarHBondContact O-N 2.94Å; K125-R128 WeakPolarHBondContact O-CB 3.48Å; K125-R128 PolarHBondContact O-N 3.37Å; K125-T147 HydrophobicContact CD-CG2 4.29Å; K125-T147 HydrophobicContact CG-CG2 4.49Å |
| 126 | H | 83.9 | Confident | 83.1 | Confident | 16 Ų | 16 | 71.1 Ų | 71.1 | 7% | 0.074 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64 | -41.3 | 176.7 | 171.3 | 72.3 | 0 | 0 | 0 | 111.2 | C110 C113 V122 L123 E124 R128 C129 H130 | C110-H126 WeakPolarHBondContact CB-NE2 3.43Å; C110-H126 PolarHBondContact SG-CD2 3.08Å; C110-H126 PolarHBondContact SG-NE2 3.03Å; C113-H126 PolarHBondContact SG-NE2 3.35Å; V122-H126 VanDerWaalsContact O-CB 3.26Å; V122-H126 WeakPolarHBondContact O-CB 3.48Å; V122-H126 PolarHBondContact O-N 3.42Å; L123-H126 CarbonylContact O-C 3.55Å; L123-H126 WeakPolarHBondContact O-CA 3.44Å; L123-H126 WeakPolarHBondContact O-CB 3.4Å; L123-H126 PolarHBondContact O-N 2.75Å; L123-H126 VanDerWaalsContact O-N 3.11Å; E124-H126 VanDerWaalsContact C-N 3.34Å; H126-R128 PolarHBondContact O-N 3.34Å; H126-C129 WeakPolarHBondContact O-CB 3.45Å; H126-C129 PolarHBondContact O-N 2.99Å; H126-C129 PolarHBondContact O-SG 3.15Å; H126-H130 AromaticContact CE1-NE2 3.88Å; H126-H130 AromaticContact NE2-CD2 3.93Å; H126-H130 AromaticContact NE2-NE2 3.44Å; H126-H130 PolarHBondContact NE2-NE2 3Å |
| 127 | L | 84 | Confident | 83.3 | Confident | 53 Ų | 53 | 71.2 Ų | 71.2 | 28% | 0.277 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -56.5 | -27.9 | 176.5 | -71 | 175.8 | 0 | 0 | 0 | 113.4 | P111 L123 E124 C129 H130 T131 | P111-L127 HydrophobicContact CG-CD2 4.14Å; L123-L127 HydrophobicContact CD1-CD2 4.4Å; L123-L127 HydrophobicContact CD1-CG 4.22Å; L123-L127 HydrophobicContact CG-CD1 4.43Å; L123-L127 HydrophobicContact CG-CG 4.44Å; L123-L127 WeakPolarHBondContact O-CG 3.45Å; L123-L127 PolarHBondContact O-N 3.36Å; E124-L127 PolarHBondContact O-N 3.45Å; L127-C129 PolarHBondContact O-N 2.99Å; L127-H130 PolarHBondContact O-N 3.34Å; L127-T131 PolarHBondContact O-N 3.18Å; L127-T131 PolarHBondContact O-OG1 3.17Å |
| 128 | R | 83.7 | Confident | 83.5 | Confident | 31 Ų | 31 | 71.2 Ų | 71.2 | 12% | 0.117 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.2 | -14.5 | 174.4 | -55.4 | 175.7 | -166.8 | -175.6 | -2.4 | 113.3 | E124 K125 H126 T131 G132 Y136 K146 | E124-R128 IonicContact OE1-CZ 3.95Å; E124-R128 IonicContact OE1-NH2 2.87Å; E124-R128 PolarHBondContact OE1-NH2 3.06Å; K125-R128 WeakPolarHBondContact O-CB 3.48Å; K125-R128 PolarHBondContact O-N 3.37Å; H126-R128 PolarHBondContact O-N 3.34Å; R128-T131 WeakPolarHBondContact CA-OG1 3.36Å; R128-G132 WeakPolarHBondContact O-CA 3.43Å; R128-G132 PolarHBondContact O-N 3.12Å; R128-G132 VanDerWaalsContact O-N 3.13Å; R128-Y136 VanDerWaalsContact NH1-CE2 3.32Å; R128-Y136 PolarHBondContact NH1-OH 3.36Å; R128-K146 PolarHBondContact NH1-O 3.47Å; R128-K146 WeakPolarHBondContact O-CE 3.47Å |
| 129 | C | 81.4 | Confident | 83.9 | Confident | 25 Ų | 25 | 69.7 Ų | 69.7 | 17% | 0.169 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -74.6 | -34.2 | 170 | 80.7 | 0 | 0 | 0 | 0 | 112.3 | H126 L127 | H126-C129 WeakPolarHBondContact O-CB 3.45Å; H126-C129 PolarHBondContact O-N 2.99Å; H126-C129 PolarHBondContact O-SG 3.15Å; L127-C129 PolarHBondContact O-N 2.99Å |
| 130 | H | 80.5 | Confident | 83.8 | Confident | 70 Ų | 70 | 67.1 Ų | 67.1 | 32% | 0.324 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -79.4 | -41.1 | 177.2 | -66.8 | -68.3 | 0 | 0 | 0 | 112.2 | C110 H112 H126 L127 G132 C195 | C110-H130 PolarHBondContact SG-NE2 3.02Å; H112-H130 VanDerWaalsContact CB-CE1 3.43Å; H112-H130 WeakPolarHBondContact CB-CE1 3.41Å; H112-H130 WeakPolarHBondContact CB-NE2 3.46Å; H112-H130 AromaticContact CD2-CD2 3.82Å; H112-H130 AromaticContact CD2-CG 3.77Å; H112-H130 AromaticContact CG-CG 3.88Å; H126-H130 AromaticContact CE1-NE2 3.88Å; H126-H130 AromaticContact NE2-CD2 3.93Å; H126-H130 AromaticContact NE2-NE2 3.44Å; H126-H130 PolarHBondContact NE2-NE2 3Å; L127-H130 PolarHBondContact O-N 3.34Å; H130-G132 VanDerWaalsContact C-N 3.34Å; H130-C195 PolarHBondContact CE1-SG 3.36Å; H130-C195 PolarHBondContact NE2-SG 3.48Å |
| 131 | T | 83 | Confident | 83.8 | Confident | 84 Ų | 84 | 65.8 Ų | 65.8 | 52% | 0.515 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -80.8 | -17.1 | 179.7 | 63.3 | 0 | 0 | 0 | 0 | 113.2 | L127 R128 E133 | L127-T131 PolarHBondContact O-N 3.18Å; L127-T131 PolarHBondContact O-OG1 3.17Å; R128-T131 WeakPolarHBondContact CA-OG1 3.36Å; T131-E133 PolarHBondContact O-N 3.02Å; T131-E133 WeakPolarHBondContact OG1-CG 3.35Å; T131-E133 PolarHBondContact OG1-N 2.76Å |
| 132 | G | 81.1 | Confident | 83.7 | Confident | 43 Ų | 43 | 65.5 Ų | 65.5 | 44% | 0.443 | 37% | 0.369 | S | S | . | . | trans | 70.3 | 8.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R128 H130 R134 | R128-G132 WeakPolarHBondContact O-CA 3.43Å; R128-G132 PolarHBondContact O-N 3.12Å; R128-G132 VanDerWaalsContact O-N 3.13Å; H130-G132 VanDerWaalsContact C-N 3.34Å; G132-R134 PolarHBondContact O-N 2.95Å | ||
| 133 | E | 81.4 | Confident | 83.7 | Confident | 122 Ų | 122 | 64 Ų | 64 | 57% | 0.57 | 36% | 0.36 | S | S | * | . | trans | -64.8 | 130.6 | 180 | -73.9 | -173.9 | 167.8 | 0 | 0 | 112.3 | T131 P135 | T131-E133 PolarHBondContact O-N 3.02Å; T131-E133 WeakPolarHBondContact OG1-CG 3.35Å; T131-E133 PolarHBondContact OG1-N 2.76Å; E133-P135 WeakPolarHBondContact O-CD 3.49Å | ||
| 134 | R | 84.2 | Confident | 83.6 | Confident | 95 Ų | 95 | 64.6 Ų | 64.6 | 36% | 0.358 | 37% | 0.367 | S | S | . | . | trans | -127.3 | 77.1 | -179.2 | -61.9 | 175.7 | 81.2 | 118.1 | -2.7 | 110.2 | G132 Y136 S144 F145 K146 | G132-R134 PolarHBondContact O-N 2.95Å; R134-Y136 PolarHBondContact O-N 2.88Å; R134-S144 PolarHBondContact NE-O 3.27Å; R134-S144 PolarHBondContact NH2-O 3.44Å; R134-S144 WeakPolarHBondContact O-CB 3.49Å; R134-F145 CarbonylContact C-O 3.38Å; R134-F145 WeakPolarHBondContact CA-O 3.26Å; R134-K146 HydrophobicContact CG-CG 4.03Å | ||
| 135 | P | 84.8 | Confident | 83.5 | Confident | 66 Ų | 66 | 59.9 Ų | 59.9 | 43% | 0.429 | 34% | 0.344 | S | S | . | . | trans | -74.1 | -5.7 | -170.8 | 27.8 | -34.2 | 0 | 0 | 0 | 114.7 | E133 P137 | E133-P135 WeakPolarHBondContact O-CD 3.49Å; P135-P137 WeakPolarHBondContact O-CD 3.36Å | ||
| 136 | Y | 87.8 | Confident | 83.6 | Confident | 70 Ų | 70 | 57.1 Ų | 57.1 | 28% | 0.275 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 86.2 | -174.7 | -54.4 | -71.5 | 0 | 0 | 0 | 112.1 | R128 R134 S144 F145 K146 Q148 | R128-Y136 VanDerWaalsContact NH1-CE2 3.32Å; R128-Y136 PolarHBondContact NH1-OH 3.36Å; R134-Y136 PolarHBondContact O-N 2.88Å; Y136-S144 CarbonylContact O-C 3.51Å; Y136-S144 WeakPolarHBondContact O-CA 3.33Å; Y136-F145 WeakPolarHBondContact CD2-O 3.48Å; Y136-F145 PolarHBondContact N-O 3.47Å; Y136-F145 VanDerWaalsContact N-O 3.15Å; Y136-F145 WeakPolarHBondContact O-CD2 3.42Å; Y136-F145 PolarHBondContact O-N 2.87Å; Y136-K146 WeakPolarHBondContact CE2-O 3.29Å; Y136-Q148 HydrophobicContact CD1-CB 4.34Å; Y136-Q148 HydrophobicContact CE1-CB 4.25Å |
| 137 | P | 85.9 | Confident | 83.6 | Confident | 74 Ų | 74 | 57.7 Ų | 57.7 | 48% | 0.481 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 140.5 | 174 | 30.3 | -34.1 | 0 | 0 | 0 | 112.3 | P135 | P135-P137 WeakPolarHBondContact O-CD 3.36Å |
| 138 | C | 86.6 | Confident | 83.7 | Confident | 5 Ų | 5 | 61.7 Ų | 61.7 | 3% | 0.034 | 35% | 0.354 | C | S | . | . | trans | -78.5 | 122 | 163.5 | -177.3 | 0 | 0 | 0 | 0 | 109 | T140 C141 G142 V143 F145 L151 H154 | C138-T140 PolarHBondContact O-N 3.2Å; C138-C141 VanDerWaalsContact CB-SG 3.51Å; C138-G142 WeakPolarHBondContact O-CA 3.48Å; C138-G142 PolarHBondContact O-N 2.82Å; C138-V143 WeakPolarHBondContact CB-O 3.22Å; C138-V143 PolarHBondContact N-O 3.03Å; C138-F145 HydrophobicContact CB-CE2 4.24Å; C138-L151 HydrophobicContact CB-CD1 3.56Å; C138-H154 PolarHBondContact SG-NE2 3.44Å | ||
| 139 | T | 86.8 | Confident | 83.7 | Confident | 144 Ų | 144 | 63.8 Ų | 63.8 | 88% | 0.883 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -20.3 | 179.8 | 53.7 | 0 | 0 | 0 | 0 | 113.2 | ||
| 140 | T | 82.4 | Confident | 83.8 | Confident | 69 Ų | 69 | 66 Ų | 66 | 42% | 0.423 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -39.7 | -175.2 | -51.2 | 0 | 0 | 0 | 0 | 112.6 | C138 | C138-T140 PolarHBondContact O-N 3.2Š|
| 141 | C | 84.1 | Confident | 84.2 | Confident | 48 Ų | 48 | 64.1 Ų | 64.1 | 32% | 0.324 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120 | -4 | -176.5 | 63.6 | 0 | 0 | 0 | 0 | 113.8 | C138 V143 H154 | C138-C141 VanDerWaalsContact CB-SG 3.51Å; C141-V143 HydrophobicContact CB-CG2 4.37Å; C141-V143 PolarHBondContact O-N 3.3Å; C141-H154 PolarHBondContact SG-NE2 3.04Å |
| 142 | G | 80.9 | Confident | 84.4 | Confident | 52 Ų | 52 | 66 Ų | 66 | 54% | 0.536 | 38% | 0.375 | S | S | . | . | trans | 75.3 | -7.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | C138 S144 | C138-G142 WeakPolarHBondContact O-CA 3.48Å; C138-G142 PolarHBondContact O-N 2.82Å; G142-S144 PolarHBondContact O-N 3.17Å | ||
| 143 | V | 83.6 | Confident | 84.6 | Confident | 39 Ų | 39 | 70.6 Ų | 70.6 | 24% | 0.236 | 38% | 0.382 | C | S | . | . | trans | -66.5 | 126.9 | -178.9 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | C138 C141 F145 | C138-V143 WeakPolarHBondContact CB-O 3.22Å; C138-V143 PolarHBondContact N-O 3.03Å; C141-V143 HydrophobicContact CB-CG2 4.37Å; C141-V143 PolarHBondContact O-N 3.3Å; V143-F145 HydrophobicContact CB-CE2 4.16Å; V143-F145 HydrophobicContact CB-CZ 4.31Å; V143-F145 HydrophobicContact CG1-CE1 4.37Å; V143-F145 HydrophobicContact CG1-CE2 3.87Å; V143-F145 HydrophobicContact CG1-CZ 3.72Å; V143-F145 WeakPolarHBondContact O-CD2 3.36Å; V143-F145 VanDerWaalsContact O-CE2 3.29Å; V143-F145 WeakPolarHBondContact O-CE2 3.4Å | ||
| 144 | S | 83.4 | Confident | 84.8 | Confident | 40 Ų | 40 | 65.4 Ų | 65.4 | 28% | 0.28 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 148.9 | 179.8 | -62.3 | 0 | 0 | 0 | 0 | 112.3 | R134 Y136 G142 | R134-S144 PolarHBondContact NE-O 3.27Å; R134-S144 PolarHBondContact NH2-O 3.44Å; R134-S144 WeakPolarHBondContact O-CB 3.49Å; Y136-S144 CarbonylContact O-C 3.51Å; Y136-S144 WeakPolarHBondContact O-CA 3.33Å; G142-S144 PolarHBondContact O-N 3.17Å |
| 145 | F | 83.9 | Confident | 84.9 | Confident | 8 Ų | 8 | 67.6 Ų | 67.6 | 4% | 0.035 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 150.8 | -176.8 | -61.9 | -91 | 0 | 0 | 0 | 111.4 | R134 Y136 C138 V143 T147 N150 L151 H154 S188 | R134-F145 CarbonylContact C-O 3.38Å; R134-F145 WeakPolarHBondContact CA-O 3.26Å; Y136-F145 WeakPolarHBondContact CD2-O 3.48Å; Y136-F145 PolarHBondContact N-O 3.47Å; Y136-F145 VanDerWaalsContact N-O 3.15Å; Y136-F145 WeakPolarHBondContact O-CD2 3.42Å; Y136-F145 PolarHBondContact O-N 2.87Å; C138-F145 HydrophobicContact CB-CE2 4.24Å; V143-F145 HydrophobicContact CB-CE2 4.16Å; V143-F145 HydrophobicContact CB-CZ 4.31Å; V143-F145 HydrophobicContact CG1-CE1 4.37Å; V143-F145 HydrophobicContact CG1-CE2 3.87Å; V143-F145 HydrophobicContact CG1-CZ 3.72Å; V143-F145 WeakPolarHBondContact O-CD2 3.36Å; V143-F145 VanDerWaalsContact O-CE2 3.29Å; V143-F145 WeakPolarHBondContact O-CE2 3.4Å; F145-T147 VanDerWaalsContact C-N 3.34Å; F145-N150 HydrophobicContact CB-CB 4.43Å; F145-N150 HydrophobicContact CD1-CB 3.93Å; F145-N150 HydrophobicContact CG-CB 4.47Å; F145-L151 HydrophobicContact CB-CB 4.36Å; F145-L151 HydrophobicContact CD2-CB 3.87Å; F145-L151 HydrophobicContact CD2-CD1 3.7Å; F145-L151 HydrophobicContact CD2-CG 4.38Å; F145-L151 HydrophobicContact CE2-CD1 3.78Å; F145-L151 HydrophobicContact CG-CB 4.21Å; F145-H154 HydrophobicContact CE1-CB 4.08Å; F145-H154 HydrophobicContact CE2-CB 4.21Å; F145-H154 AromaticContact CE2-CD2 3.83Å; F145-H154 AromaticContact CE2-CG 3.9Å; F145-H154 HydrophobicContact CZ-CB 3.62Å; F145-H154 AromaticContact CZ-CD2 3.78Å; F145-H154 AromaticContact CZ-CE1 3.99Å; F145-H154 AromaticContact CZ-CG 3.38Å; F145-H154 AromaticContact CZ-ND1 3.56Å; F145-S188 WeakPolarHBondContact CE1-OG 3.43Å |
| 146 | K | 82.4 | Confident | 84.9 | Confident | 46 Ų | 46 | 71.7 Ų | 71.7 | 20% | 0.2 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -72.2 | -26.8 | 175.5 | -64.6 | 177.4 | 177.3 | 168.4 | 0 | 112.6 | R128 R134 Y136 | R128-K146 PolarHBondContact NH1-O 3.47Å; R128-K146 WeakPolarHBondContact O-CE 3.47Å; R134-K146 HydrophobicContact CG-CG 4.03Å; Y136-K146 WeakPolarHBondContact CE2-O 3.29Å |
| 147 | T | 82.9 | Confident | 84.5 | Confident | 28 Ų | 28 | 72.7 Ų | 72.7 | 17% | 0.172 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -135 | 148.8 | -178.2 | 70.5 | 0 | 0 | 0 | 0 | 112.9 | K125 F145 S149 N150 L151 | K125-T147 HydrophobicContact CD-CG2 4.29Å; K125-T147 HydrophobicContact CG-CG2 4.49Å; F145-T147 VanDerWaalsContact C-N 3.34Å; T147-S149 VanDerWaalsContact C-N 3.33Å; T147-S149 PolarHBondContact O-N 3.36Å; T147-N150 PolarHBondContact O-N 3.3Å; T147-N150 PolarHBondContact OG1-N 3.47Å; T147-N150 PolarHBondContact OG1-ND2 2.93Å; T147-N150 PolarHBondContact OG1-OD1 2.82Å; T147-L151 PolarHBondContact O-N 3.45Å |
| 148 | Q | 86.8 | Confident | 84 | Confident | 136 Ų | 136 | 70.6 Ų | 70.6 | 64% | 0.636 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64.7 | -34.4 | 177.2 | -175.1 | -179.3 | -6.4 | 0 | 0 | 112.8 | Y136 N150 L151 Y152 | Y136-Q148 HydrophobicContact CD1-CB 4.34Å; Y136-Q148 HydrophobicContact CE1-CB 4.25Å; Q148-N150 VanDerWaalsContact C-N 3.29Å; Q148-N150 PolarHBondContact O-N 3.36Å; Q148-L151 PolarHBondContact O-N 3.45Å; Q148-Y152 PolarHBondContact O-N 3.07Å |
| 149 | S | 84.9 | Confident | 83.1 | Confident | 75 Ų | 75 | 73 Ų | 73 | 52% | 0.524 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.9 | -38.1 | 178.1 | -53.8 | 0 | 0 | 0 | 0 | 111.9 | T147 Y152 K153 | T147-S149 VanDerWaalsContact C-N 3.33Å; T147-S149 PolarHBondContact O-N 3.36Å; S149-Y152 PolarHBondContact O-N 3.41Å; S149-K153 WeakPolarHBondContact O-CG 3.28Å; S149-K153 PolarHBondContact O-N 3.34Å |
| 150 | N | 83.4 | Confident | 81.8 | Confident | 72 Ų | 72 | 71.3 Ų | 71.3 | 39% | 0.385 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.7 | -42.3 | 177.5 | -68.8 | 2.2 | 0 | 0 | 0 | 111.1 | F145 T147 Q148 Y152 K153 H154 | F145-N150 HydrophobicContact CB-CB 4.43Å; F145-N150 HydrophobicContact CD1-CB 3.93Å; F145-N150 HydrophobicContact CG-CB 4.47Å; T147-N150 PolarHBondContact O-N 3.3Å; T147-N150 PolarHBondContact OG1-N 3.47Å; T147-N150 PolarHBondContact OG1-ND2 2.93Å; T147-N150 PolarHBondContact OG1-OD1 2.82Å; Q148-N150 VanDerWaalsContact C-N 3.29Å; Q148-N150 PolarHBondContact O-N 3.36Å; N150-Y152 VanDerWaalsContact C-N 3.31Å; N150-Y152 PolarHBondContact O-N 3.4Å; N150-K153 PolarHBondContact O-N 3.49Å; N150-H154 WeakPolarHBondContact O-CB 3.47Å; N150-H154 PolarHBondContact O-N 3.4Å |
| 151 | L | 87.1 | Confident | 80.7 | Confident | 30 Ų | 30 | 70.2 Ų | 70.2 | 16% | 0.157 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.3 | -42.5 | 172.3 | 174.8 | 64.5 | 0 | 0 | 0 | 111.9 | C138 F145 T147 Q148 H154 R155 | C138-L151 HydrophobicContact CB-CD1 3.56Å; F145-L151 HydrophobicContact CB-CB 4.36Å; F145-L151 HydrophobicContact CD2-CB 3.87Å; F145-L151 HydrophobicContact CD2-CD1 3.7Å; F145-L151 HydrophobicContact CD2-CG 4.38Å; F145-L151 HydrophobicContact CE2-CD1 3.78Å; F145-L151 HydrophobicContact CG-CB 4.21Å; T147-L151 PolarHBondContact O-N 3.45Å; Q148-L151 PolarHBondContact O-N 3.45Å; L151-H154 WeakPolarHBondContact O-CB 3.29Å; L151-H154 PolarHBondContact O-N 3.44Å; L151-R155 PolarHBondContact O-N 3.35Å |
| 152 | Y | 87.9 | Confident | 79.3 | Confident | 125 Ų | 125 | 74.7 Ų | 74.7 | 49% | 0.49 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 178.7 | 178.2 | -94.2 | 0 | 0 | 0 | 112.1 | Q148 S149 N150 H154 R155 R156 | Q148-Y152 PolarHBondContact O-N 3.07Å; S149-Y152 PolarHBondContact O-N 3.41Å; N150-Y152 VanDerWaalsContact C-N 3.31Å; N150-Y152 PolarHBondContact O-N 3.4Å; Y152-H154 VanDerWaalsContact C-N 3.34Å; Y152-H154 PolarHBondContact O-N 2.92Å; Y152-R155 PolarHBondContact O-N 2.95Å; Y152-R156 PolarHBondContact O-N 3.03Å |
| 153 | K | 85.5 | Confident | 77.7 | Confident | 138 Ų | 138 | 79.4 Ų | 79.4 | 60% | 0.6 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -58.3 | -47.7 | 175.6 | -73.1 | 178 | 179.7 | -177.3 | 0 | 111.1 | S149 N150 R155 R156 T157 | S149-K153 WeakPolarHBondContact O-CG 3.28Å; S149-K153 PolarHBondContact O-N 3.34Å; N150-K153 PolarHBondContact O-N 3.49Å; K153-R155 PolarHBondContact O-N 3.07Å; K153-R156 WeakPolarHBondContact O-CB 3.38Å; K153-R156 PolarHBondContact O-N 3.36Å; K153-T157 PolarHBondContact O-N 3.11Å; K153-T157 PolarHBondContact O-OG1 3.34Å |
| 154 | H | 85.6 | Confident | 76 | Confident | 13 Ų | 13 | 81.4 Ų | 81.4 | 6% | 0.06 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -56 | -48.5 | 176.8 | 166.6 | 85.4 | 0 | 0 | 0 | 112.4 | C138 C141 F145 N150 L151 Y152 R156 T157 Q158 | C138-H154 PolarHBondContact SG-NE2 3.44Å; C141-H154 PolarHBondContact SG-NE2 3.04Å; F145-H154 HydrophobicContact CE1-CB 4.08Å; F145-H154 HydrophobicContact CE2-CB 4.21Å; F145-H154 AromaticContact CE2-CD2 3.83Å; F145-H154 AromaticContact CE2-CG 3.9Å; F145-H154 HydrophobicContact CZ-CB 3.62Å; F145-H154 AromaticContact CZ-CD2 3.78Å; F145-H154 AromaticContact CZ-CE1 3.99Å; F145-H154 AromaticContact CZ-CG 3.38Å; F145-H154 AromaticContact CZ-ND1 3.56Å; N150-H154 WeakPolarHBondContact O-CB 3.47Å; N150-H154 PolarHBondContact O-N 3.4Å; L151-H154 WeakPolarHBondContact O-CB 3.29Å; L151-H154 PolarHBondContact O-N 3.44Å; Y152-H154 VanDerWaalsContact C-N 3.34Å; Y152-H154 PolarHBondContact O-N 2.92Å; H154-R156 VanDerWaalsContact C-N 3.28Å; H154-R156 PolarHBondContact O-N 2.66Å; H154-T157 PolarHBondContact O-N 2.72Å; H154-T157 PolarHBondContact O-OG1 3.43Å; H154-Q158 VanDerWaalsContact CE1-CD 3.46Å; H154-Q158 PolarHBondContact CE1-NE2 3.2Å; H154-Q158 VanDerWaalsContact NE2-CD 3.28Å; H154-Q158 PolarHBondContact NE2-NE2 3.45Å; H154-Q158 VanDerWaalsContact NE2-NE2 3.1Å; H154-Q158 PolarHBondContact NE2-OE1 2.91Å; H154-Q158 WeakPolarHBondContact O-CG 3.31Å; H154-Q158 PolarHBondContact O-N 3.34Å |
| 155 | R | 85.6 | Confident | 74.4 | Confident | 142 Ų | 142 | 83 Ų | 83 | 54% | 0.536 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 178.9 | -173.1 | 176.7 | 65.4 | -162.9 | 1.9 | 112 | L151 Y152 K153 A159 | L151-R155 PolarHBondContact O-N 3.35Å; Y152-R155 PolarHBondContact O-N 2.95Å; K153-R155 PolarHBondContact O-N 3.07Å; R155-A159 PolarHBondContact O-N 3.28Å; R155-A159 VanDerWaalsContact O-N 3.15Å |
| 156 | R | 85.8 | Confident | 72.8 | Confident | 151 Ų | 151 | 89.9 Ų | 89.9 | 57% | 0.57 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64.8 | -45.9 | 178.2 | -172.5 | 178.8 | 167.4 | 137 | -2.4 | 111 | Y152 K153 H154 A159 H160 | Y152-R156 PolarHBondContact O-N 3.03Å; K153-R156 WeakPolarHBondContact O-CB 3.38Å; K153-R156 PolarHBondContact O-N 3.36Å; H154-R156 VanDerWaalsContact C-N 3.28Å; H154-R156 PolarHBondContact O-N 2.66Å; R156-A159 PolarHBondContact O-N 2.83Å; R156-H160 PolarHBondContact O-CD2 2.86Å; R156-H160 PolarHBondContact O-N 3.44Å |
| 157 | T | 79.4 | Confident | 71 | Confident | 91 Ų | 91 | 92 Ų | 92 | 56% | 0.558 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -69 | -37.7 | 179.1 | 55 | 0 | 0 | 0 | 0 | 112.5 | K153 H154 A159 H160 A161 | K153-T157 PolarHBondContact O-N 3.11Å; K153-T157 PolarHBondContact O-OG1 3.34Å; H154-T157 PolarHBondContact O-N 2.72Å; H154-T157 PolarHBondContact O-OG1 3.43Å; T157-A159 VanDerWaalsContact C-N 3.28Å; T157-A159 PolarHBondContact O-N 3.29Å; T157-H160 PolarHBondContact O-N 2.88Å; T157-A161 PolarHBondContact O-N 3.39Å |
| 158 | Q | 74 | Confident | 69.6 | Low | 31 Ų | 31 | 98.3 Ų | 98.3 | 15% | 0.145 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -60.8 | -35.4 | 173.4 | -76.4 | -165.4 | -16.2 | 0 | 0 | 113.2 | H154 H160 A161 R162 | H154-Q158 VanDerWaalsContact CE1-CD 3.46Å; H154-Q158 PolarHBondContact CE1-NE2 3.2Å; H154-Q158 VanDerWaalsContact NE2-CD 3.28Å; H154-Q158 PolarHBondContact NE2-NE2 3.45Å; H154-Q158 VanDerWaalsContact NE2-NE2 3.1Å; H154-Q158 PolarHBondContact NE2-OE1 2.91Å; H154-Q158 WeakPolarHBondContact O-CG 3.31Å; H154-Q158 PolarHBondContact O-N 3.34Å; Q158-H160 VanDerWaalsContact C-N 3.29Å; Q158-H160 PolarHBondContact O-N 3.46Å; Q158-A161 PolarHBondContact O-N 3.12Å; Q158-R162 WeakPolarHBondContact O-CG 3.12Å; Q158-R162 PolarHBondContact O-N 3.13Å |
| 159 | A | 68.3 | Low | 68 | Low | 54 Ų | 54 | 100.5 Ų | 100.5 | 45% | 0.446 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.6 | -34.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R155 R156 T157 | R155-A159 PolarHBondContact O-N 3.28Å; R155-A159 VanDerWaalsContact O-N 3.15Å; R156-A159 PolarHBondContact O-N 2.83Å; T157-A159 VanDerWaalsContact C-N 3.28Å; T157-A159 PolarHBondContact O-N 3.29Å |
| 160 | H | 60.8 | Low | 66.3 | Low | 109 Ų | 109 | 101.9 Ų | 101.9 | 51% | 0.505 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -78.7 | -34 | 177.5 | -65.9 | -68 | 0 | 0 | 0 | 112.7 | R156 T157 Q158 R162 Q163 | R156-H160 PolarHBondContact O-CD2 2.86Å; R156-H160 PolarHBondContact O-N 3.44Å; T157-H160 PolarHBondContact O-N 2.88Å; Q158-H160 VanDerWaalsContact C-N 3.29Å; Q158-H160 PolarHBondContact O-N 3.46Å; H160-R162 VanDerWaalsContact C-N 3.31Å; H160-R162 PolarHBondContact O-N 3.15Å; H160-Q163 PolarHBondContact O-N 3.14Å |
| 161 | A | 59.2 | Low | 64.5 | Low | 47 Ų | 47 | 106.1 Ų | 106.1 | 39% | 0.388 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.7 | -27.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | T157 Q158 Q163 S164 | T157-A161 PolarHBondContact O-N 3.39Å; Q158-A161 PolarHBondContact O-N 3.12Å; A161-Q163 VanDerWaalsContact C-N 3.34Å; A161-Q163 PolarHBondContact O-N 3.14Å; A161-S164 PolarHBondContact O-N 3.1Å |
| 162 | R | 54.9 | Low | 63.1 | Low | 141 Ų | 141 | 113.4 Ų | 113.4 | 53% | 0.532 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.6 | -32.9 | 178.6 | -76.9 | 176.9 | 167.7 | -177 | -7.9 | 113.6 | Q158 H160 S164 S165 | Q158-R162 WeakPolarHBondContact O-CG 3.12Å; Q158-R162 PolarHBondContact O-N 3.13Å; H160-R162 VanDerWaalsContact C-N 3.31Å; H160-R162 PolarHBondContact O-N 3.15Å; R162-S164 PolarHBondContact O-N 3.32Å; R162-S165 PolarHBondContact O-N 3.45Å; R162-S165 PolarHBondContact O-OG 3.34Å; R162-S165 VanDerWaalsContact O-OG 3.05Å |
| 163 | Q | 46.7 | Very low | 61 | Low | 152 Ų | 152 | 111 Ų | 111 | 71% | 0.71 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.8 | -14.5 | 179.9 | -64.3 | 178.8 | 2.8 | 0 | 0 | 113.1 | H160 A161 | H160-Q163 PolarHBondContact O-N 3.14Å; A161-Q163 VanDerWaalsContact C-N 3.34Å; A161-Q163 PolarHBondContact O-N 3.14Å |
| 164 | S | 47.6 | Very low | 59 | Low | 81 Ų | 81 | 110.2 Ų | 110.2 | 57% | 0.566 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -92.2 | -19.9 | 178.3 | -51.6 | 0 | 0 | 0 | 0 | 113.3 | A161 R162 S167 | A161-S164 PolarHBondContact O-N 3.1Å; R162-S164 PolarHBondContact O-N 3.32Å; S164-S167 PolarHBondContact O-OG 3.21Å |
| 165 | S | 49.6 | Very low | 57.7 | Low | 72 Ų | 72 | 117 Ų | 117 | 50% | 0.503 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -91.5 | -9.4 | -177.1 | 54.1 | 0 | 0 | 0 | 0 | 114.7 | R162 | R162-S165 PolarHBondContact O-N 3.45Å; R162-S165 PolarHBondContact O-OG 3.34Å; R162-S165 VanDerWaalsContact O-OG 3.05Å |
| 166 | E | 49.9 | Very low | 55.4 | Low | 153 Ų | 153 | 118 Ų | 118 | 72% | 0.715 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -90.5 | -1.8 | -179.6 | -79.3 | 167.1 | 95 | 0 | 0 | 113.6 | ||
| 167 | S | 45.8 | Very low | 53.7 | Low | 90 Ų | 90 | 115.5 Ų | 115.5 | 63% | 0.629 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -98.8 | -1.3 | 178.1 | 53.3 | 0 | 0 | 0 | 0 | 115.5 | S164 | S164-S167 PolarHBondContact O-OG 3.21Š|
| 168 | E | 53.8 | Low | 52.2 | Low | 162 Ų | 162 | 119 Ų | 119 | 76% | 0.757 | 67% | 0.671 | S | S | * | * | trans | -113 | 23.9 | -173.8 | -62.3 | -173 | 117.5 | 0 | 0 | 113.9 | S170 | E168-S170 VanDerWaalsContact C-N 3.32Å; E168-S170 PolarHBondContact O-N 2.86Å | ||
| 169 | Q | 52.4 | Low | 50.7 | Low | 182 Ų | 182 | 122.1 Ų | 122.1 | 85% | 0.85 | 70% | 0.696 | S | S | * | * | trans | -93.1 | 28.4 | 175.3 | -69.9 | -172.8 | 4.7 | 0 | 0 | 114.1 | ||||
| 170 | S | 48.3 | Very low | 49.5 | Very low | 103 Ų | 103 | 124.9 Ų | 124.9 | 72% | 0.72 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -138.2 | 58.3 | 173.2 | 70.3 | 0 | 0 | 0 | 0 | 112.7 | E168 | E168-S170 VanDerWaalsContact C-N 3.32Å; E168-S170 PolarHBondContact O-N 2.86Å |
| 171 | N | 46.4 | Very low | 48.8 | Very low | 162 Ų | 162 | 125.2 Ų | 125.2 | 87% | 0.866 | 73% | 0.727 | S | S | * | * | trans | -158.7 | 115.4 | 147.6 | -119.1 | -37.5 | 0 | 0 | 0 | 111.2 | ||||
| 172 | L | 57.7 | Low | 48.1 | Very low | 182 Ų | 182 | 131.9 Ų | 131.9 | 95% | 0.953 | 74% | 0.742 | S | S | * | * | trans | -77.2 | 117.3 | 172.2 | -72.9 | 162 | 0 | 0 | 0 | 108.3 | ||||
| 173 | G | 44.5 | Very low | 47.6 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 74% | 0.744 | S | S | * | * | trans | 171.8 | 112.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 174 | S | 42 | Very low | 47.4 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | trans | 93.7 | 119.7 | 159.8 | -141.6 | 0 | 0 | 0 | 0 | 117.9 | D176 | S174-D176 PolarHBondContact O-N 3.26Š| ||
| 175 | L | 58.3 | Low | 46.8 | Very low | 155 Ų | 155 | 126.8 Ų | 126.8 | 81% | 0.812 | 73% | 0.726 | S | S | * | * | trans | -75.2 | 100.7 | 176.8 | -62.6 | 152.5 | 0 | 0 | 0 | 108.6 | ||||
| 176 | D | 38.3 | Very low | 46.5 | Very low | 163 Ų | 163 | 125.2 Ų | 125.2 | 87% | 0.872 | 72% | 0.715 | S | S | * | * | trans | -135.2 | 89.6 | 146.2 | -96.3 | -63.2 | 0 | 0 | 0 | 106.7 | S174 | S174-D176 PolarHBondContact O-N 3.26Š| ||
| 177 | S | 49.1 | Very low | 46.1 | Very low | 98 Ų | 98 | 123.4 Ų | 123.4 | 69% | 0.685 | 72% | 0.72 | S | S | * | * | trans | -76 | 134.6 | -174.4 | -65.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 178 | M | 49 | Very low | 46.1 | Very low | 164 Ų | 164 | 120.8 Ų | 120.8 | 81% | 0.808 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 77.2 | 78.5 | 158.7 | -48.4 | -159.5 | 165.8 | 0 | 0 | 117.3 | ||
| 179 | S | 42.9 | Very low | 45.8 | Very low | 97 Ų | 97 | 118.8 Ų | 118.8 | 68% | 0.678 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -156.2 | -19.3 | 147 | -79.1 | 0 | 0 | 0 | 0 | 115.6 | S181 | S179-S181 PolarHBondContact O-N 2.87Š|
| 180 | S | 42.9 | Very low | 45.5 | Very low | 112 Ų | 112 | 113.7 Ų | 113.7 | 78% | 0.783 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -10.8 | -161 | -127 | 0 | 0 | 0 | 0 | 118.4 | ||
| 181 | S | 44.8 | Very low | 45.4 | Very low | 116 Ų | 116 | 116.8 Ų | 116.8 | 81% | 0.811 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 2.5 | -177.4 | -57.1 | 0 | 0 | 0 | 0 | 115 | S179 | S179-S181 PolarHBondContact O-N 2.87Š|
| 182 | R | 45.4 | Very low | 45.4 | Very low | 187 Ų | 187 | 113.5 Ų | 113.5 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -97.8 | -17.3 | -179.6 | -53.5 | -177.1 | -175 | -135.4 | 1.7 | 112.6 | T184 C185 S186 | R182-T184 VanDerWaalsContact C-N 3.32Å; R182-T184 PolarHBondContact O-N 3.44Å; R182-C185 PolarHBondContact O-N 2.76Å; R182-S186 PolarHBondContact O-OG 3.12Å |
| 183 | E | 43.3 | Very low | 45 | Very low | 124 Ų | 124 | 111 Ų | 111 | 58% | 0.579 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -13.4 | -168.6 | -59.8 | -61.5 | 103.1 | 0 | 0 | 114.6 | ||
| 184 | T | 42.7 | Very low | 45.4 | Very low | 103 Ų | 103 | 113 Ų | 113 | 63% | 0.632 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -6.4 | 176.8 | 56.3 | 0 | 0 | 0 | 0 | 113.9 | R182 | R182-T184 VanDerWaalsContact C-N 3.32Å; R182-T184 PolarHBondContact O-N 3.44Å |
| 185 | C | 36.1 | Very low | 45.9 | Very low | 40 Ų | 40 | 110.1 Ų | 110.1 | 27% | 0.27 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96 | -11.3 | 165.7 | -80.8 | 0 | 0 | 0 | 0 | 112.8 | R182 S187 S188 | R182-C185 PolarHBondContact O-N 2.76Å; C185-S187 PolarHBondContact O-N 3.06Å; C185-S188 PolarHBondContact O-N 3.43Å |
| 186 | S | 41.8 | Very low | 45.5 | Very low | 39 Ų | 39 | 110 Ų | 110 | 27% | 0.273 | 62% | 0.617 | S | S | . | * | G | 310 helix | trans | -67.4 | -19.9 | -177.3 | -61.4 | 0 | 0 | 0 | 0 | 113.8 | R182 S188 L189 | R182-S186 PolarHBondContact O-OG 3.12Å; S186-S188 PolarHBondContact O-N 3.37Å; S186-L189 WeakPolarHBondContact O-CB 3.45Å; S186-L189 PolarHBondContact O-N 3.21Å; S186-L189 VanDerWaalsContact O-N 3.08Å |
| 187 | S | 42.2 | Very low | 45.7 | Very low | 116 Ų | 116 | 109.5 Ų | 109.5 | 81% | 0.811 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -71 | 1.9 | 173.9 | -39.1 | 0 | 0 | 0 | 0 | 113.9 | C185 | C185-S187 PolarHBondContact O-N 3.06Š|
| 188 | S | 46.3 | Very low | 45.4 | Very low | 34 Ų | 34 | 111.4 Ų | 111.4 | 24% | 0.238 | 62% | 0.616 | C | S | . | * | G | 310 helix | trans | -120.6 | -1 | 170.6 | -58.9 | 0 | 0 | 0 | 0 | 113.5 | F145 C185 S186 S190 | F145-S188 WeakPolarHBondContact CE1-OG 3.43Å; C185-S188 PolarHBondContact O-N 3.43Å; S186-S188 PolarHBondContact O-N 3.37Å; S188-S190 PolarHBondContact O-N 3.21Å |
| 189 | L | 47 | Very low | 44.9 | Very low | 121 Ų | 121 | 105.9 Ų | 105.9 | 63% | 0.634 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -66.6 | 117 | 164.4 | -68.2 | 173.6 | 0 | 0 | 0 | 106.3 | S186 L191 | S186-L189 WeakPolarHBondContact O-CB 3.45Å; S186-L189 PolarHBondContact O-N 3.21Å; S186-L189 VanDerWaalsContact O-N 3.08Å; L189-L191 PolarHBondContact O-N 3.14Å |
| 190 | S | 45.8 | Very low | 44.8 | Very low | 74 Ų | 74 | 105.7 Ų | 105.7 | 52% | 0.517 | 60% | 0.6 | S | S | . | * | trans | 9.9 | 79.3 | 159.4 | -61.2 | 0 | 0 | 0 | 0 | 115.5 | S188 D192 | S188-S190 PolarHBondContact O-N 3.21Å; S190-D192 PolarHBondContact O-N 3.39Å | ||
| 191 | L | 47.1 | Very low | 44.4 | Very low | 169 Ų | 169 | 109.4 Ų | 109.4 | 89% | 0.885 | 61% | 0.605 | S | S | * | * | -76.2 | 95.7 | 123.4 | -67.1 | -177.8 | 0 | 0 | 0 | 102 | L189 E193 | L189-L191 PolarHBondContact O-N 3.14Å; L191-E193 PolarHBondContact O-N 3.25Å | |||
| 192 | D | 45.4 | Very low | 44.1 | Very low | 92 Ų | 92 | 112.3 Ų | 112.3 | 49% | 0.492 | 61% | 0.605 | S | S | . | * | trans | -40.8 | 101.4 | 157.2 | -53.6 | -68.2 | 0 | 0 | 0 | 105.4 | S190 Q194 | S190-D192 PolarHBondContact O-N 3.39Å; D192-Q194 HydrophobicContact CB-CB 4.5Å; D192-Q194 HydrophobicContact CB-CG 3.79Å; D192-Q194 PolarHBondContact O-N 3.46Å | ||
| 193 | E | 49.9 | Very low | 43.8 | Very low | 129 Ų | 129 | 112.6 Ų | 112.6 | 60% | 0.603 | 61% | 0.612 | S | S | * | * | trans | -70.1 | 61.8 | 158.3 | -155.3 | 179.9 | 111.1 | 0 | 0 | 104.2 | L191 | L191-E193 PolarHBondContact O-N 3.25Š| ||
| 194 | Q | 53.7 | Low | 43.4 | Very low | 118 Ų | 118 | 113.8 Ų | 113.8 | 55% | 0.551 | 62% | 0.617 | S | S | * | * | trans | -49 | 143.3 | 155 | -83.6 | 133.9 | 5.8 | 0 | 0 | 104.7 | D192 E196 | D192-Q194 HydrophobicContact CB-CB 4.5Å; D192-Q194 HydrophobicContact CB-CG 3.79Å; D192-Q194 PolarHBondContact O-N 3.46Å; Q194-E196 HydrophobicContact CB-CG 4.48Å; Q194-E196 PolarHBondContact O-N 2.76Å | ||
| 195 | C | 52.5 | Low | 43.4 | Very low | 61 Ų | 61 | 114.2 Ų | 114.2 | 41% | 0.412 | 62% | 0.62 | S | S | . | * | trans | -66.8 | 71.3 | 174.5 | -70.7 | 0 | 0 | 0 | 0 | 108.6 | C113 H130 D197 | C113-C195 HydrophobicContact CB-CB 4.09Å; H130-C195 PolarHBondContact CE1-SG 3.36Å; H130-C195 PolarHBondContact NE2-SG 3.48Å; C195-D197 PolarHBondContact O-N 3.02Å | ||
| 196 | E | 49.1 | Very low | 43.6 | Very low | 154 Ų | 154 | 117.2 Ų | 117.2 | 72% | 0.72 | 64% | 0.637 | S | S | * | * | trans | -69.2 | 117.6 | 167.5 | -67.3 | -93.9 | 112.4 | 0 | 0 | 105.3 | Q194 L198 | Q194-E196 HydrophobicContact CB-CG 4.48Å; Q194-E196 PolarHBondContact O-N 2.76Å; E196-L198 VanDerWaalsContact C-N 3.3Å; E196-L198 PolarHBondContact O-N 3.27Å | ||
| 197 | D | 42.3 | Very low | 43.6 | Very low | 152 Ų | 152 | 122.8 Ų | 122.8 | 81% | 0.813 | 66% | 0.663 | S | S | * | * | trans | -55.6 | 81.5 | -177.4 | -177.9 | 47.1 | 0 | 0 | 0 | 111.4 | C195 G199 | C195-D197 PolarHBondContact O-N 3.02Å; D197-G199 PolarHBondContact O-N 3.09Å | ||
| 198 | L | 43.3 | Very low | 43.4 | Very low | 138 Ų | 138 | 123.1 Ų | 123.1 | 72% | 0.723 | 67% | 0.665 | S | S | * | * | trans | -88.6 | 75.4 | 161.4 | -62.7 | -176.5 | 0 | 0 | 0 | 107.7 | E196 | E196-L198 VanDerWaalsContact C-N 3.3Å; E196-L198 PolarHBondContact O-N 3.27Å | ||
| 199 | G | 37.6 | Very low | 43.2 | Very low | 48 Ų | 48 | 126.2 Ų | 126.2 | 50% | 0.495 | 69% | 0.693 | S | S | . | * | trans | -44.7 | 144.2 | 156.8 | 0 | 0 | 0 | 0 | 0 | 110 | D197 E201 | D197-G199 PolarHBondContact O-N 3.09Å; G199-E201 PolarHBondContact O-N 3.01Å | ||
| 200 | S | 41 | Very low | 43.2 | Very low | 93 Ų | 93 | 124.9 Ų | 124.9 | 65% | 0.65 | 70% | 0.699 | S | S | * | * | trans | -41.5 | 107 | 178.3 | -74.2 | 0 | 0 | 0 | 0 | 111.6 | E202 | S200-E202 PolarHBondContact O-N 2.95Š| ||
| 201 | E | 35.5 | Very low | 43 | Very low | 189 Ų | 189 | 130.7 Ų | 130.7 | 88% | 0.883 | 72% | 0.718 | S | S | * | * | trans | -64.5 | 111.3 | 161.8 | -71 | -173.5 | 105.2 | 0 | 0 | 107.2 | G199 K203 | G199-E201 PolarHBondContact O-N 3.01Å; E201-K203 PolarHBondContact O-N 2.89Å | ||
| 202 | E | 37 | Very low | 42.8 | Very low | 177 Ų | 177 | 128.2 Ų | 128.2 | 83% | 0.827 | 72% | 0.715 | S | S | * | * | trans | -57.9 | 129.2 | -172.8 | -64.4 | 174.3 | 95.3 | 0 | 0 | 110.5 | S200 H204 | S200-E202 PolarHBondContact O-N 2.95Å; E202-H204 PolarHBondContact O-N 3.46Å | ||
| 203 | K | 39.2 | Very low | 43.5 | Very low | 193 Ų | 193 | 129.9 Ų | 129.9 | 84% | 0.839 | 73% | 0.731 | S | S | * | * | trans | -68.3 | 87.3 | 163.8 | -60.7 | 175.7 | -176.3 | -179.5 | 0 | 107.6 | E201 T205 | E201-K203 PolarHBondContact O-N 2.89Å; K203-T205 PolarHBondContact O-N 2.85Å | ||
| 204 | H | 36.4 | Very low | 43.6 | Very low | 150 Ų | 150 | 134 Ų | 134 | 69% | 0.694 | 77% | 0.765 | S | S | * | * | trans | -74.5 | 77.5 | 166.5 | -151.3 | -97.4 | 0 | 0 | 0 | 108.9 | E202 T206 | E202-H204 PolarHBondContact O-N 3.46Å; H204-T206 WeakPolarHBondContact CE1-CG2 3.15Å; H204-T206 PolarHBondContact CE1-OG1 3.44Å; H204-T206 PolarHBondContact ND1-OG1 3.07Å; H204-T206 PolarHBondContact O-N 3.15Å | ||
| 205 | T | 41.1 | Very low | 43.1 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 68% | 0.681 | 78% | 0.775 | S | S | * | * | trans | -85.1 | 88.2 | 159.4 | -53.1 | 0 | 0 | 0 | 0 | 106.9 | K203 L207 | K203-T205 PolarHBondContact O-N 2.85Å; T205-L207 HydrophobicContact CG2-CD1 4.45Å; T205-L207 HydrophobicContact CG2-CG 4.45Å | ||
| 206 | T | 40.8 | Very low | 42.6 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 64% | 0.638 | 79% | 0.794 | S | S | * | * | trans | -102.7 | 96.1 | 161.3 | 44.1 | 0 | 0 | 0 | 0 | 108.6 | H204 | H204-T206 WeakPolarHBondContact CE1-CG2 3.15Å; H204-T206 PolarHBondContact CE1-OG1 3.44Å; H204-T206 PolarHBondContact ND1-OG1 3.07Å; H204-T206 PolarHBondContact O-N 3.15Å | ||
| 207 | L | 43.1 | Very low | 42.2 | Very low | 156 Ų | 156 | 137.8 Ų | 137.8 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | trans | -81.3 | 138.3 | 159 | -78.3 | 164.2 | 0 | 0 | 0 | 109 | T205 | T205-L207 HydrophobicContact CG2-CD1 4.45Å; T205-L207 HydrophobicContact CG2-CG 4.45Å | ||
| 208 | S | 36.9 | Very low | 42.2 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | 80.6 | 113.9 | 157.1 | -127.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 209 | A | 41.4 | Very low | 42.1 | Very low | 98 Ų | 98 | 136.9 Ų | 136.9 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | -164.4 | 138 | 104.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 210 | A | 48 | Very low | 42.4 | Very low | 93 Ų | 93 | 142.8 Ų | 142.8 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | trans | -68.2 | 148.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 211 | E | 41.6 | Very low | 42.5 | Very low | 197 Ų | 197 | 146.4 Ų | 146.4 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | trans | -161.1 | 120 | 144.3 | -106.7 | 165.4 | 167.3 | 0 | 0 | 109.6 | ||||
| 212 | S | 43.3 | Very low | 43.1 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | -81 | 146.3 | 176.8 | -48.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 213 | P | 58.9 | Low | 43.6 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | trans | -96.5 | 125.6 | 161.7 | 30.9 | -22.7 | 0 | 0 | 0 | 111.1 | ||||
| 214 | T | 52.4 | Low | 44 | Very low | 214 Ų | 214 | 135.5 Ų | 135.5 | 100% | 1.313 | 83% | 0.831 | S | S | * | * | trans | -67.8 | 0 | 156 | 39.3 | 0 | 0 | 0 | 0 | 111.8 |
Retrieved 214 of 214 residues in 190.9 ms
(Link to these results)