| 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 | 41.7 | Very low | 46.9 | Very low | 241 Ų | 241 | 155.3 Ų | 155.3 | 100% | 1.187 | 86% | 0.856 | S | S | * | * | 0 | 110.2 | 0 | -78.9 | 148.6 | 79.7 | 0 | 0 | 107.3 | |||||
| 2 | N | 39.9 | Very low | 46.6 | Very low | 167 Ų | 167 | 152.4 Ų | 152.4 | 89% | 0.893 | 85% | 0.853 | S | S | * | * | trans | -69.9 | 135.8 | -176.4 | -68.8 | -9.5 | 0 | 0 | 0 | 111.3 | ||||
| 3 | S | 41 | Very low | 46.3 | Very low | 109 Ų | 109 | 153.2 Ų | 153.2 | 76% | 0.762 | 85% | 0.845 | S | S | * | * | trans | -173.4 | 86.3 | 141.5 | 56.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 4 | Y | 52.5 | Low | 46.3 | Very low | 237 Ų | 237 | 154 Ų | 154 | 93% | 0.929 | 85% | 0.846 | S | S | * | * | trans | -124.3 | 100.8 | 150.7 | -71.9 | -77.8 | 0 | 0 | 0 | 107.8 | ||||
| 5 | F | 46.9 | Very low | 45.8 | Very low | 208 Ų | 208 | 150.6 Ų | 150.6 | 91% | 0.912 | 84% | 0.838 | S | S | * | * | trans | -127.8 | 90.1 | 151.7 | -99.7 | -81 | 0 | 0 | 0 | 105.8 | N7 | F5-N7 PolarHBondContact O-N 3.35Š| ||
| 6 | A | 53.8 | Low | 45.1 | Very low | 92 Ų | 92 | 145.6 Ų | 145.6 | 76% | 0.76 | 83% | 0.831 | S | S | * | * | trans | -70.2 | 116.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | P8 | A6-P8 WeakPolarHBondContact O-CD 3.27Š| ||
| 7 | N | 44.9 | Very low | 44.7 | Very low | 153 Ų | 153 | 141.7 Ų | 141.7 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -64.3 | 120.3 | 166 | -93.3 | -59.4 | 0 | 0 | 0 | 108.2 | F5 S9 | F5-N7 PolarHBondContact O-N 3.35Å; N7-S9 PolarHBondContact O-N 3.45Å; N7-S9 VanDerWaalsContact O-N 3.16Å | ||
| 8 | P | 53.1 | Low | 44.2 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 73% | 0.727 | 83% | 0.832 | S | S | * | * | trans | -77.4 | 102.2 | 163.7 | 21.1 | -10.4 | 0 | 0 | 0 | 107.5 | A6 L10 | A6-P8 WeakPolarHBondContact O-CD 3.27Å; P8-L10 PolarHBondContact O-N 2.73Å; P8-L10 VanDerWaalsContact O-N 3.1Å | ||
| 9 | S | 50.5 | Low | 44.2 | Very low | 106 Ų | 106 | 145.6 Ų | 145.6 | 74% | 0.741 | 83% | 0.831 | S | S | * | * | trans | -56.1 | 110.1 | 159.9 | 47.6 | 0 | 0 | 0 | 0 | 108.2 | N7 S11 | N7-S9 PolarHBondContact O-N 3.45Å; N7-S9 VanDerWaalsContact O-N 3.16Å; S9-S11 PolarHBondContact O-N 3.45Å; S9-S11 VanDerWaalsContact O-N 3.15Å | ||
| 10 | L | 48.4 | Very low | 44.1 | Very low | 168 Ų | 168 | 145.5 Ų | 145.5 | 88% | 0.88 | 83% | 0.833 | S | S | * | * | trans | -60.5 | 114.1 | 174 | -66.9 | 169.1 | 0 | 0 | 0 | 109.2 | P8 C12 | P8-L10 PolarHBondContact O-N 2.73Å; P8-L10 VanDerWaalsContact O-N 3.1Å; L10-C12 PolarHBondContact O-N 3.27Å | ||
| 11 | S | 43.3 | Very low | 44.3 | Very low | 115 Ų | 115 | 146.2 Ų | 146.2 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | -72.3 | 110.6 | 167.8 | -58.9 | 0 | 0 | 0 | 0 | 109.2 | S9 H13 | S9-S11 PolarHBondContact O-N 3.45Å; S9-S11 VanDerWaalsContact O-N 3.15Å; S11-H13 PolarHBondContact O-N 2.97Å | ||
| 12 | C | 43.3 | Very low | 44.7 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -79.6 | 90.7 | 166.1 | 45.2 | 0 | 0 | 0 | 0 | 109.5 | L10 | L10-C12 PolarHBondContact O-N 3.27Š| ||
| 13 | H | 42.8 | Very low | 44.9 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | trans | -89.5 | 105.9 | 168.8 | -172.2 | -93.1 | 0 | 0 | 0 | 109.2 | S11 S15 | S11-H13 PolarHBondContact O-N 2.97Å; H13-S15 PolarHBondContact O-N 3.42Å | ||
| 14 | L | 46 | Very low | 45.1 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | trans | -71.1 | 113.7 | 161.5 | -88 | 96.6 | 0 | 0 | 0 | 108.2 | ||||
| 15 | S | 39 | Very low | 44.9 | Very low | 103 Ų | 103 | 134 Ų | 134 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | -109.5 | 121.8 | 158.6 | -174.5 | 0 | 0 | 0 | 0 | 108 | H13 | H13-S15 PolarHBondContact O-N 3.42Š| ||
| 16 | G | 34.2 | Very low | 44.6 | Very low | 71 Ų | 71 | 132 Ų | 132 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | -77.4 | 161.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 17 | G | 38.5 | Very low | 43.8 | Very low | 79 Ų | 79 | 134.8 Ų | 134.8 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | trans | 78.5 | 108.2 | 149.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 18 | Q | 35 | Very low | 43.5 | Very low | 186 Ų | 186 | 132.6 Ų | 132.6 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | 175.8 | 116.5 | 104.5 | -164.6 | 157.1 | 6.6 | 0 | 0 | 110.3 | |||||
| 19 | E | 45.1 | Very low | 42.9 | Very low | 171 Ų | 171 | 133 Ų | 133 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | 26.5 | 117.6 | 143.7 | -52.9 | -69.7 | 136.5 | 0 | 0 | 118.6 | ||||
| 20 | V | 42.6 | Very low | 42.6 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 87% | 0.873 | 80% | 0.795 | S | S | * | * | -175.9 | 110.1 | 120.9 | 173.8 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 21 | L | 47.5 | Very low | 42 | Very low | 160 Ų | 160 | 136.5 Ų | 136.5 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -77.2 | 154.6 | 165.4 | -75.6 | 169.7 | 0 | 0 | 0 | 110.4 | ||||
| 22 | P | 50.3 | Low | 41.8 | Very low | 113 Ų | 113 | 137.9 Ų | 137.9 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | -134.4 | 129 | 106.8 | 33.7 | -21.6 | 0 | 0 | 0 | 113.9 | |||||
| 23 | N | 44.8 | Very low | 42.4 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | trans | 46.7 | 93.7 | 137.5 | -131.3 | -31.9 | 0 | 0 | 0 | 118.4 | ||||
| 24 | V | 44.7 | Very low | 42.4 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -128.1 | 126.5 | 156.8 | -178.1 | 0 | 0 | 0 | 0 | 107.5 | L26 | V24-L26 PolarHBondContact O-N 3.49Š| ||
| 25 | P | 48.5 | Very low | 42.9 | Very low | 107 Ų | 107 | 138.8 Ų | 138.8 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | trans | -64.5 | 125.6 | -176.9 | 23.6 | -31.8 | 0 | 0 | 0 | 111.6 | N27 | P25-N27 PolarHBondContact O-N 2.95Š| ||
| 26 | L | 40.1 | Very low | 43.2 | Very low | 164 Ų | 164 | 142.1 Ų | 142.1 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | -65.9 | 103.8 | 170.1 | -78.3 | 154.5 | 0 | 0 | 0 | 109.4 | V24 S28 | V24-L26 PolarHBondContact O-N 3.49Å; L26-S28 PolarHBondContact O-N 3.01Å; L26-S28 VanDerWaalsContact O-N 3.13Å | ||
| 27 | N | 38.2 | Very low | 43.5 | Very low | 151 Ų | 151 | 148.1 Ų | 148.1 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | trans | -73.4 | 98.9 | 160 | -80.4 | -19.1 | 0 | 0 | 0 | 108.2 | P25 T29 | P25-N27 PolarHBondContact O-N 2.95Å; N27-T29 VanDerWaalsContact C-N 3.34Å; N27-T29 PolarHBondContact O-N 3.03Å | ||
| 28 | S | 37.5 | Very low | 43.7 | Very low | 108 Ų | 108 | 150 Ų | 150 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -65 | 89.6 | 167.3 | -62.8 | 0 | 0 | 0 | 0 | 109.9 | L26 T30 | L26-S28 PolarHBondContact O-N 3.01Å; L26-S28 VanDerWaalsContact O-N 3.13Å; S28-T30 PolarHBondContact O-N 3.25Å | ||
| 29 | T | 41.1 | Very low | 44.6 | Very low | 121 Ų | 121 | 145.9 Ų | 145.9 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | trans | -86.6 | 94.2 | 160.1 | -62.3 | 0 | 0 | 0 | 0 | 107.7 | N27 Y31 | N27-T29 VanDerWaalsContact C-N 3.34Å; N27-T29 PolarHBondContact O-N 3.03Å; T29-Y31 PolarHBondContact O-N 3.45Å | ||
| 30 | T | 44.2 | Very low | 44.4 | Very low | 124 Ų | 124 | 149 Ų | 149 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | trans | -55.3 | 121.1 | 159.8 | 44.2 | 0 | 0 | 0 | 0 | 108.2 | S28 D32 | S28-T30 PolarHBondContact O-N 3.25Å; T30-D32 PolarHBondContact O-N 2.87Å; T30-D32 VanDerWaalsContact O-N 3.11Å | ||
| 31 | Y | 35.1 | Very low | 44.3 | Very low | 223 Ų | 223 | 146 Ų | 146 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | trans | -54.5 | 113 | 171.6 | -96.5 | -105.3 | 0 | 0 | 0 | 109.6 | T29 | T29-Y31 PolarHBondContact O-N 3.45Š| ||
| 32 | D | 40.4 | Very low | 43.9 | Very low | 144 Ų | 144 | 143.4 Ų | 143.4 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | -92.9 | 105.5 | 167.7 | -168.9 | -9.9 | 0 | 0 | 0 | 108.7 | T30 V34 | T30-D32 PolarHBondContact O-N 2.87Å; T30-D32 VanDerWaalsContact O-N 3.11Å; D32-V34 PolarHBondContact O-N 3.26Å | ||
| 33 | T | 54.2 | Low | 43.6 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | trans | -84.2 | 90.1 | 171.6 | 53.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 34 | V | 44.3 | Very low | 43.5 | Very low | 109 Ų | 109 | 141.6 Ų | 141.6 | 66% | 0.661 | 80% | 0.796 | S | S | * | * | trans | 178.5 | 108.5 | 147.5 | 153.5 | 0 | 0 | 0 | 0 | 106.9 | D32 H36 | D32-V34 PolarHBondContact O-N 3.26Å; V34-H36 PolarHBondContact O-N 3.33Å | ||
| 35 | R | 54.8 | Low | 43.5 | Very low | 238 Ų | 238 | 142.3 Ų | 142.3 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | -67.5 | 106 | 170.9 | -74.7 | -148.4 | 174.9 | -148.6 | -0.1 | 108.9 | F37 | R35-F37 PolarHBondContact O-N 3.11Å; R35-F37 VanDerWaalsContact O-N 3.09Å | ||
| 36 | H | 45.8 | Very low | 43.1 | Very low | 173 Ų | 173 | 144.7 Ų | 144.7 | 80% | 0.801 | 80% | 0.803 | S | S | * | * | trans | -54 | 110 | 158.2 | -90.2 | -62.6 | 0 | 0 | 0 | 109.5 | V34 S38 | V34-H36 PolarHBondContact O-N 3.33Å; H36-S38 PolarHBondContact O-N 3.18Å | ||
| 37 | F | 41.3 | Very low | 43.3 | Very low | 196 Ų | 196 | 142.8 Ų | 142.8 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -61.4 | 112.9 | 155.2 | -88.4 | -95.7 | 0 | 0 | 0 | 107.3 | R35 S39 | R35-F37 PolarHBondContact O-N 3.11Å; R35-F37 VanDerWaalsContact O-N 3.09Å; F37-S39 VanDerWaalsContact C-N 3.28Å; F37-S39 PolarHBondContact O-N 3.42Å | ||
| 38 | S | 43 | Very low | 43.6 | Very low | 118 Ų | 118 | 147.7 Ų | 147.7 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -67.1 | 94 | 162.4 | -71.7 | 0 | 0 | 0 | 0 | 108.5 | H36 | H36-S38 PolarHBondContact O-N 3.18Š| ||
| 39 | S | 52.5 | Low | 44.2 | Very low | 100 Ų | 100 | 149.3 Ų | 149.3 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | trans | -85.2 | 101 | 157.7 | 178.5 | 0 | 0 | 0 | 0 | 107.7 | F37 | F37-S39 VanDerWaalsContact C-N 3.28Å; F37-S39 PolarHBondContact O-N 3.42Å | ||
| 40 | Y | 42 | Very low | 44.1 | Very low | 238 Ų | 238 | 154 Ų | 154 | 93% | 0.933 | 81% | 0.805 | S | S | * | * | trans | -145.8 | 107.8 | 157.4 | -82.3 | -76.8 | 0 | 0 | 0 | 109.2 | ||||
| 41 | G | 39.7 | Very low | 44.2 | Very low | 81 Ų | 81 | 152 Ų | 152 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | 159.2 | 49.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 42 | A | 40.5 | Very low | 45 | Very low | 104 Ų | 104 | 146.7 Ų | 146.7 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -93.5 | 153 | 159.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 43 | A | 42.2 | Very low | 45.4 | Very low | 90 Ų | 90 | 148.7 Ų | 148.7 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | cis | -169.2 | 148.8 | -5.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 44 | V | 43.9 | Very low | 44.7 | Very low | 136 Ų | 136 | 154 Ų | 154 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | -149.1 | 100.6 | 149.6 | -175 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 45 | T | 44.3 | Very low | 44.8 | Very low | 143 Ų | 143 | 152.8 Ų | 152.8 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -140.4 | 110.1 | 151.7 | 59.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 46 | Q | 39.7 | Very low | 44.7 | Very low | 157 Ų | 157 | 147 Ų | 147 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -79 | 134.6 | 171.9 | -76.1 | -76.7 | -12.9 | 0 | 0 | 109.9 | ||||
| 47 | N | 44.5 | Very low | 44.5 | Very low | 124 Ų | 124 | 146.7 Ų | 146.7 | 66% | 0.663 | 79% | 0.793 | S | S | * | * | trans | 58.3 | 104.3 | 151.9 | -68 | -44.5 | 0 | 0 | 0 | 119.8 | ||||
| 48 | R | 44.4 | Very low | 44 | Very low | 255 Ų | 255 | 145.4 Ų | 145.4 | 96% | 0.962 | 79% | 0.789 | S | S | * | * | trans | -134.4 | 107.7 | 136.7 | -140.8 | -178.2 | -160.7 | 175.8 | 5.2 | 110.1 | ||||
| 49 | I | 50.5 | Low | 44.1 | Very low | 141 Ų | 141 | 146.7 Ų | 146.7 | 72% | 0.723 | 79% | 0.787 | S | S | * | * | trans | -77.6 | 120.4 | 172.2 | -60.1 | 171.2 | 0 | 0 | 0 | 107.7 | ||||
| 50 | Y | 38.2 | Very low | 43.6 | Very low | 220 Ų | 220 | 148 Ų | 148 | 86% | 0.863 | 79% | 0.791 | S | S | * | * | 172.7 | 129.9 | 128.4 | -128.2 | -100.3 | 0 | 0 | 0 | 110.7 | |||||
| 51 | A | 46.3 | Very low | 43.7 | Very low | 81 Ų | 81 | 142.9 Ų | 142.9 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | trans | -77.1 | -175.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 52 | P | 53.5 | Low | 43.9 | Very low | 112 Ų | 112 | 148.5 Ų | 148.5 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | cis | -143.8 | 162.3 | 18.1 | 38.7 | -16.2 | 0 | 0 | 0 | 118.3 | ||||
| 53 | F | 47.5 | Very low | 43.6 | Very low | 187 Ų | 187 | 146.7 Ų | 146.7 | 82% | 0.82 | 78% | 0.776 | S | S | * | * | trans | 17.1 | 113.5 | 132.8 | -156 | -99.6 | 0 | 0 | 0 | 118.1 | ||||
| 54 | Y | 40.5 | Very low | 43.4 | Very low | 231 Ų | 231 | 147.8 Ų | 147.8 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | trans | -139.4 | 136.1 | 149.4 | -111.9 | -88.7 | 0 | 0 | 0 | 110.6 | ||||
| 55 | S | 45.8 | Very low | 43.2 | Very low | 84 Ų | 84 | 145 Ų | 145 | 59% | 0.587 | 78% | 0.777 | S | S | * | * | trans | -65.3 | 155.2 | -178.7 | -180 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 56 | P | 52.3 | Low | 43 | Very low | 115 Ų | 115 | 149.3 Ų | 149.3 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | trans | -99.9 | 116.4 | 165.8 | 34.2 | -21.8 | 0 | 0 | 0 | 110.7 | ||||
| 57 | Q | 41.4 | Very low | 42.9 | Very low | 168 Ų | 168 | 146.3 Ų | 146.3 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -151.3 | 153.1 | 155.7 | -77.1 | -59.9 | 6.5 | 0 | 0 | 111.1 | ||||
| 58 | E | 31.8 | Very low | 42.3 | Very low | 168 Ų | 168 | 149.4 Ų | 149.4 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | 114.4 | 110.7 | 159.2 | -57.1 | -66.4 | 147.7 | 0 | 0 | 115.3 | ||||
| 59 | N | 44.7 | Very low | 41.9 | Very low | 145 Ų | 145 | 147 Ų | 147 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | -49.2 | 137.4 | 172.8 | -81.6 | -62 | 0 | 0 | 0 | 113.3 | ||||
| 60 | V | 41.7 | Very low | 41.1 | Very low | 129 Ų | 129 | 149.2 Ų | 149.2 | 78% | 0.782 | 79% | 0.79 | S | S | * | * | trans | -131.8 | 97.1 | 148.3 | -91.8 | 0 | 0 | 0 | 0 | 108.9 | F62 | V60-F62 PolarHBondContact O-N 3.07Š| ||
| 61 | V | 44.8 | Very low | 41.2 | Very low | 129 Ų | 129 | 148.9 Ų | 148.9 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | trans | -62.5 | 107.6 | 159.7 | 160.9 | 0 | 0 | 0 | 0 | 107.2 | G63 | V61-G63 PolarHBondContact O-N 3.44Š| ||
| 62 | F | 43.7 | Very low | 40.8 | Very low | 200 Ų | 200 | 147.7 Ų | 147.7 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | -83.1 | 107.5 | 162.2 | -107.9 | -91.6 | 0 | 0 | 0 | 108 | V60 S64 | V60-F62 PolarHBondContact O-N 3.07Å; F62-S64 PolarHBondContact O-N 2.86Å | ||
| 63 | G | 34.6 | Very low | 40.2 | Very low | 65 Ų | 65 | 147.2 Ų | 147.2 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | trans | -59.6 | 121.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | V61 G65 | V61-G63 PolarHBondContact O-N 3.44Å; G63-G65 PolarHBondContact O-N 3.28Å | ||
| 64 | S | 37 | Very low | 40 | Very low | 114 Ų | 114 | 146.1 Ų | 146.1 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -82.5 | 92.8 | 168.4 | -160.6 | 0 | 0 | 0 | 0 | 108.3 | F62 R66 | F62-S64 PolarHBondContact O-N 2.86Å; S64-R66 PolarHBondContact O-N 2.66Å | ||
| 65 | G | 39.7 | Very low | 40.2 | Very low | 77 Ų | 77 | 141 Ų | 141 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | -68.9 | 95.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | G63 A67 | G63-G65 PolarHBondContact O-N 3.28Å; G65-A67 PolarHBondContact O-N 3.01Å; G65-A67 VanDerWaalsContact O-N 3.16Å | ||
| 66 | R | 41.3 | Very low | 39.7 | Very low | 233 Ų | 233 | 145.4 Ų | 145.4 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | -71.8 | 99 | 165.1 | -75.5 | -167.9 | 178.1 | -171.7 | 1.2 | 108.5 | S64 | S64-R66 PolarHBondContact O-N 2.66Š| ||
| 67 | A | 35.9 | Very low | 39.4 | Very low | 94 Ų | 94 | 147.5 Ų | 147.5 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -77 | 117.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | G65 | G65-A67 PolarHBondContact O-N 3.01Å; G65-A67 VanDerWaalsContact O-N 3.16Å |
| 68 | Q | 32.4 | Very low | 39.5 | Very low | 190 Ų | 190 | 147.4 Ų | 147.4 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 119.9 | 164.3 | -77.8 | -121.2 | -80.8 | 0 | 0 | 108.5 | ||
| 69 | Y | 37.1 | Very low | 39.6 | Very low | 203 Ų | 203 | 146.2 Ų | 146.2 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 119.8 | 164.1 | 61.8 | -86.9 | 0 | 0 | 0 | 108.1 | ||
| 70 | E | 33.6 | Very low | 39.2 | Very low | 188 Ų | 188 | 147.5 Ų | 147.5 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | -84.3 | 108.1 | 174.1 | -157.2 | 168.3 | -160.3 | 0 | 0 | 106.6 | G72 | E70-G72 VanDerWaalsContact C-N 3.29Å; E70-G72 PolarHBondContact O-N 3.08Å | ||
| 71 | Y | 39.6 | Very low | 39 | Very low | 213 Ų | 213 | 149.5 Ų | 149.5 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | -79.8 | 86.8 | 172.5 | -165.6 | -96.8 | 0 | 0 | 0 | 108.1 | S73 | Y71-S73 PolarHBondContact O-N 3.01Š| ||
| 72 | G | 38.5 | Very low | 38.9 | Very low | 56 Ų | 56 | 148.8 Ų | 148.8 | 58% | 0.577 | 79% | 0.791 | S | S | * | * | trans | -69.1 | 116.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E70 N74 | E70-G72 VanDerWaalsContact C-N 3.29Å; E70-G72 PolarHBondContact O-N 3.08Å; G72-N74 PolarHBondContact O-N 3Å | ||
| 73 | S | 40.7 | Very low | 38.8 | Very low | 103 Ų | 103 | 146.3 Ų | 146.3 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | -47.8 | 124.5 | 165.1 | -49.9 | 0 | 0 | 0 | 0 | 112.4 | Y71 | Y71-S73 PolarHBondContact O-N 3.01Š| ||
| 74 | N | 43 | Very low | 39.6 | Very low | 163 Ų | 163 | 148.9 Ų | 148.9 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | -124.1 | 100.3 | 153.1 | -83.9 | -71.9 | 0 | 0 | 0 | 108.4 | G72 | G72-N74 PolarHBondContact O-N 3Š| ||
| 75 | V | 44.6 | Very low | 39.5 | Very low | 125 Ų | 125 | 147.6 Ų | 147.6 | 76% | 0.758 | 78% | 0.782 | S | S | * | * | trans | -78.4 | 151.4 | 157.1 | 170.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 76 | F | 35.7 | Very low | 39.5 | Very low | 175 Ų | 175 | 150 Ų | 150 | 77% | 0.768 | 79% | 0.786 | S | S | * | * | trans | 100.1 | 85.3 | 160 | -131.5 | -96.6 | 0 | 0 | 0 | 117.1 | ||||
| 77 | L | 44.9 | Very low | 39.4 | Very low | 159 Ų | 159 | 148.2 Ų | 148.2 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | -157 | 135.5 | 113.5 | -135.6 | 72.4 | 0 | 0 | 0 | 111.4 | |||||
| 78 | Q | 43.3 | Very low | 39.4 | Very low | 166 Ų | 166 | 150.2 Ų | 150.2 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | -113 | 121.2 | -173.9 | 169.8 | 178.6 | 54.9 | 0 | 0 | 106.6 | ||||
| 79 | D | 35.5 | Very low | 39.5 | Very low | 144 Ų | 144 | 148.4 Ų | 148.4 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | -161.5 | 106.4 | 155.2 | -96.9 | -42.4 | 0 | 0 | 0 | 107.2 | ||||
| 80 | K | 36.4 | Very low | 39.5 | Very low | 172 Ų | 172 | 145.2 Ų | 145.2 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | 55 | 97.7 | 98.1 | -101.5 | -163 | 173.4 | -175.4 | 0 | 112.3 | |||||
| 81 | D | 37.4 | Very low | 39.8 | Very low | 170 Ų | 170 | 145.5 Ų | 145.5 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | -155.4 | 139.2 | 119.6 | -86.8 | -36.2 | 0 | 0 | 0 | 110.7 | |||||
| 82 | V | 43 | Very low | 39.7 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 70% | 0.697 | 77% | 0.765 | S | S | * | * | trans | -114.5 | 121.6 | -160.3 | 156.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 83 | L | 40.1 | Very low | 39.7 | Very low | 147 Ų | 147 | 144.3 Ų | 144.3 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | 73.9 | 161.4 | 148.2 | -66.7 | 177.8 | 0 | 0 | 0 | 119 | ||||
| 84 | P | 50.9 | Low | 39.4 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | cis | -132.4 | 144.6 | 15.9 | 29.3 | -6.4 | 0 | 0 | 0 | 118.8 | ||||
| 85 | S | 36.1 | Very low | 39.1 | Very low | 88 Ų | 88 | 140.7 Ų | 140.7 | 62% | 0.615 | 78% | 0.784 | S | S | * | * | trans | -30.3 | 131.2 | 144.8 | 176.3 | 0 | 0 | 0 | 0 | 114.6 | R87 | S85-R87 PolarHBondContact O-N 3.35Š| ||
| 86 | C | 40.1 | Very low | 38.8 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | -65.9 | 93.3 | 158.2 | -175.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 87 | R | 38.4 | Very low | 38.9 | Very low | 194 Ų | 194 | 140 Ų | 140 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | trans | -65.5 | 152.7 | 150.9 | -87 | -173 | 173.5 | -140.6 | 6.2 | 107.4 | S85 | S85-R87 PolarHBondContact O-N 3.35Š| ||
| 88 | Q | 35.4 | Very low | 38.7 | Very low | 136 Ų | 136 | 140.6 Ų | 140.6 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | cis | 166.5 | 129.8 | 10.5 | 166.5 | 170.9 | 39.1 | 0 | 0 | 104.2 | ||||
| 89 | T | 34.2 | Very low | 38.8 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 93% | 0.933 | 79% | 0.787 | S | S | * | * | trans | -145.2 | 113.7 | 147.5 | 24.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 90 | N | 37.8 | Very low | 38.9 | Very low | 136 Ų | 136 | 138 Ų | 138 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -119.5 | 118.5 | 178.6 | -145 | 74.9 | 0 | 0 | 0 | 105.2 | ||||
| 91 | M | 40.8 | Very low | 39 | Very low | 194 Ų | 194 | 138.5 Ų | 138.5 | 96% | 0.956 | 79% | 0.794 | S | S | * | * | trans | -135.1 | 107.4 | 155.7 | -71.4 | -62.4 | 176.8 | 0 | 0 | 105.6 | ||||
| 92 | G | 36.7 | Very low | 39 | Very low | 62 Ų | 62 | 138.9 Ų | 138.9 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | trans | -83.3 | 150.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 93 | L | 38.7 | Very low | 38.6 | Very low | 182 Ų | 182 | 143.7 Ų | 143.7 | 95% | 0.953 | 80% | 0.797 | S | S | * | * | trans | -142 | 128.2 | 147.7 | -122.1 | 98.5 | 0 | 0 | 0 | 106.7 | ||||
| 94 | G | 35 | Very low | 38.9 | Very low | 80 Ų | 80 | 142.1 Ų | 142.1 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -75.8 | 150.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 95 | S | 36.6 | Very low | 38.5 | Very low | 111 Ų | 111 | 144.5 Ų | 144.5 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -142 | 117.1 | 144.5 | -170.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 96 | Q | 38.5 | Very low | 38.9 | Very low | 169 Ų | 169 | 146.2 Ų | 146.2 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -56 | 138.4 | 168.7 | -70.1 | -167.7 | 33.2 | 0 | 0 | 109.4 | ||||
| 97 | S | 37 | Very low | 39.3 | Very low | 117 Ų | 117 | 148.2 Ų | 148.2 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -134.6 | 89.4 | 159.6 | -60.7 | 0 | 0 | 0 | 0 | 106.7 | I99 | S97-I99 PolarHBondContact O-N 3.02Š| ||
| 98 | H | 40.2 | Very low | 39.2 | Very low | 170 Ų | 170 | 142.7 Ų | 142.7 | 79% | 0.787 | 81% | 0.806 | S | S | * | * | trans | -73.9 | 103.1 | 171.3 | -143 | -89 | 0 | 0 | 0 | 106.6 | ||||
| 99 | I | 45.8 | Very low | 39.8 | Very low | 159 Ų | 159 | 148.7 Ų | 148.7 | 82% | 0.815 | 82% | 0.823 | S | S | * | * | trans | 179.1 | 93 | 152.3 | -99.5 | 155.7 | 0 | 0 | 0 | 108.6 | S97 | S97-I99 PolarHBondContact O-N 3.02Š| ||
| 100 | A | 38.7 | Very low | 40.1 | Very low | 96 Ų | 96 | 145.9 Ų | 145.9 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | trans | -137.2 | 102.1 | 145.6 | 0 | 0 | 0 | 0 | 0 | 104 | E102 | A100-E102 PolarHBondContact O-N 3.17Š| ||
| 101 | Q | 38.4 | Very low | 40.4 | Very low | 183 Ų | 183 | 143.2 Ų | 143.2 | 86% | 0.855 | 82% | 0.819 | S | S | * | * | trans | -64.3 | 120.1 | 170.8 | -75.2 | -173.1 | -23 | 0 | 0 | 107.6 | Y103 | Q101-Y103 PolarHBondContact O-N 3.31Š| ||
| 102 | E | 36 | Very low | 40.5 | Very low | 178 Ų | 178 | 139.1 Ų | 139.1 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | -55.4 | 127.6 | 166.5 | -70.8 | 177.1 | 122 | 0 | 0 | 109.7 | A100 | A100-E102 PolarHBondContact O-N 3.17Š| ||
| 103 | Y | 35.9 | Very low | 41.2 | Very low | 217 Ų | 217 | 144.5 Ų | 144.5 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | trans | -119.1 | 100.1 | 143.5 | 70.6 | -88.4 | 0 | 0 | 0 | 107 | Q101 | Q101-Y103 PolarHBondContact O-N 3.31Š| ||
| 104 | S | 45.2 | Very low | 41.9 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -82.1 | 116.6 | 159.5 | -82.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 105 | L | 43.9 | Very low | 42.7 | Very low | 169 Ų | 169 | 148.2 Ų | 148.2 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | trans | -119.8 | 122 | 154.1 | -163.6 | 78 | 0 | 0 | 0 | 107.3 | ||||
| 106 | D | 44.2 | Very low | 43.8 | Very low | 124 Ų | 124 | 150.2 Ų | 150.2 | 66% | 0.663 | 81% | 0.81 | S | S | * | * | trans | -72.1 | 151.2 | -167.7 | -169.3 | 34.2 | 0 | 0 | 0 | 114 | ||||
| 107 | Q | 48.3 | Very low | 44.8 | Very low | 171 Ų | 171 | 146.4 Ų | 146.4 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | trans | 35.1 | 109 | 155.3 | -85.8 | 160.8 | 66.5 | 0 | 0 | 121.2 | ||||
| 108 | G | 35.3 | Very low | 46.6 | Very low | 77 Ų | 77 | 148.5 Ų | 148.5 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | -144.6 | 97.4 | 151.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | A110 | G108-A110 PolarHBondContact O-N 3.1Å; G108-A110 VanDerWaalsContact O-N 3.14Å | ||
| 109 | R | 49.2 | Very low | 48.5 | Very low | 263 Ų | 263 | 146.3 Ų | 146.3 | 99% | 0.992 | 80% | 0.797 | S | S | * | * | trans | -64.4 | 103.6 | 176.1 | -158.4 | -175.4 | -164.3 | -166.4 | 5.7 | 109.5 | ||||
| 110 | A | 39.5 | Very low | 50.3 | Low | 93 Ų | 93 | 142.4 Ų | 142.4 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -153.5 | 131.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | G108 A112 | G108-A110 PolarHBondContact O-N 3.1Å; G108-A110 VanDerWaalsContact O-N 3.14Å; A110-A112 PolarHBondContact O-N 3Å | ||
| 111 | G | 44.2 | Very low | 52.6 | Low | 80 Ų | 80 | 143.2 Ų | 143.2 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | -54.5 | 124.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q113 | G111-Q113 PolarHBondContact O-N 3.14Š| ||
| 112 | A | 43.3 | Very low | 55 | Low | 107 Ų | 107 | 140.5 Ų | 140.5 | 88% | 0.884 | 76% | 0.755 | S | S | * | * | trans | -70.7 | 80.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | A110 E114 | A110-A112 PolarHBondContact O-N 3Å; A112-E114 PolarHBondContact O-N 2.94Å; A112-E114 VanDerWaalsContact O-N 3.15Å | ||
| 113 | Q | 52.1 | Low | 57.5 | Low | 175 Ų | 175 | 136.7 Ų | 136.7 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -60.2 | 111.8 | 161.3 | -167.7 | 175.9 | -11.1 | 0 | 0 | 105.7 | G111 Q115 | G111-Q113 PolarHBondContact O-N 3.14Å; Q113-Q115 PolarHBondContact O-N 3.5Å | ||
| 114 | E | 53.6 | Low | 60 | Low | 147 Ų | 147 | 136 Ų | 136 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | trans | -46.8 | 101.9 | 172.9 | -85.4 | -167.7 | 155.2 | 0 | 0 | 108.5 | A112 K116 | A112-E114 PolarHBondContact O-N 2.94Å; A112-E114 VanDerWaalsContact O-N 3.15Å; E114-K116 PolarHBondContact O-N 3.07Å; E114-K116 IonicContact OE2-NZ 3.01Å; E114-K116 PolarHBondContact OE2-NZ 3.36Å | ||
| 115 | Q | 51.9 | Low | 62 | Low | 193 Ų | 193 | 134.7 Ų | 134.7 | 90% | 0.902 | 72% | 0.724 | S | S | * | * | trans | -70.7 | 85.3 | 165.2 | -74 | -159.6 | 3.4 | 0 | 0 | 106.2 | Q113 S117 | Q113-Q115 PolarHBondContact O-N 3.5Å; Q115-S117 VanDerWaalsContact C-N 3.26Å; Q115-S117 PolarHBondContact O-N 3.35Å | ||
| 116 | K | 59.6 | Low | 63.9 | Low | 153 Ų | 153 | 132 Ų | 132 | 67% | 0.665 | 71% | 0.707 | S | S | * | * | trans | -56.8 | 99.9 | 160.4 | -117.3 | 90.5 | 170.8 | -175.4 | 0 | 105.2 | E114 N118 | E114-K116 PolarHBondContact O-N 3.07Å; E114-K116 IonicContact OE2-NZ 3.01Å; E114-K116 PolarHBondContact OE2-NZ 3.36Å; K116-N118 PolarHBondContact O-N 3.47Å | ||
| 117 | S | 59.2 | Low | 65.7 | Low | 90 Ų | 90 | 131.9 Ų | 131.9 | 63% | 0.629 | 70% | 0.697 | S | S | * | * | trans | -52.8 | 109.6 | 169.8 | 53.8 | 0 | 0 | 0 | 0 | 107.2 | Q115 I119 | Q115-S117 VanDerWaalsContact C-N 3.26Å; Q115-S117 PolarHBondContact O-N 3.35Å; S117-I119 PolarHBondContact O-N 2.88Å | ||
| 118 | N | 73.7 | Confident | 66.4 | Low | 160 Ų | 160 | 130.8 Ų | 130.8 | 86% | 0.856 | 69% | 0.694 | S | S | * | * | trans | -69 | 83.4 | 174 | -96.4 | -73.8 | 0 | 0 | 0 | 107.7 | K116 P120 | K116-N118 PolarHBondContact O-N 3.47Å; N118-P120 WeakPolarHBondContact O-CD 3.33Å | ||
| 119 | I | 80.9 | Confident | 67.6 | Low | 124 Ų | 124 | 134.5 Ų | 134.5 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | trans | -69.9 | 118.2 | 175 | -58.6 | 158.6 | 0 | 0 | 0 | 106.5 | S117 I121 | S117-I119 PolarHBondContact O-N 2.88Å; I119-I121 PolarHBondContact O-N 3.29Å | ||
| 120 | P | 84.4 | Confident | 68 | Low | 78 Ų | 78 | 125.7 Ų | 125.7 | 51% | 0.506 | 67% | 0.674 | S | S | . | * | trans | -64.9 | 123.5 | 179.5 | 26.4 | -33.2 | 0 | 0 | 0 | 109.6 | N118 Y122 | N118-P120 WeakPolarHBondContact O-CD 3.33Å; P120-Y122 HydrophobicContact CG-CE2 4.48Å; P120-Y122 PolarHBondContact O-N 3.13Å | ||
| 121 | I | 86.4 | Confident | 68.6 | Low | 113 Ų | 113 | 129.7 Ų | 129.7 | 58% | 0.579 | 68% | 0.676 | S | S | * | * | trans | -80.8 | 106.4 | 176.1 | -57.8 | 177.2 | 0 | 0 | 0 | 108.2 | I119 M125 Q126 | I119-I121 PolarHBondContact O-N 3.29Å; I121-M125 HydrophobicContact CG2-CB 3.82Å; I121-Q126 HydrophobicContact CG2-CG 3.8Å | ||
| 122 | Y | 88.9 | Confident | 68.9 | Low | 126 Ų | 126 | 130.6 Ų | 130.6 | 49% | 0.494 | 67% | 0.67 | S | S | . | * | trans | -68.4 | 152.3 | 177 | -61.3 | -76.9 | 0 | 0 | 0 | 111.7 | P120 W124 M125 Q126 | P120-Y122 HydrophobicContact CG-CE2 4.48Å; P120-Y122 PolarHBondContact O-N 3.13Å; Y122-W124 VanDerWaalsContact CB-NE1 3.27Å; Y122-W124 HydrophobicContact CD2-CZ2 4.42Å; Y122-W124 AromaticContact CG-NE1 3.82Å; Y122-W124 PolarHBondContact O-N 3.45Å; Y122-M125 HydrophobicContact CD2-SD 3.7Å; Y122-M125 HydrophobicContact CG-SD 4.46Å; Y122-M125 WeakPolarHBondContact O-CA 3.37Å; Y122-M125 VanDerWaalsContact O-CB 3.32Å; Y122-M125 WeakPolarHBondContact O-CB 3.36Å; Y122-M125 PolarHBondContact O-N 2.93Å; Y122-Q126 PolarHBondContact O-N 2.93Å | ||
| 123 | P | 87.5 | Confident | 69.3 | Low | 98 Ų | 98 | 130.5 Ų | 130.5 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | -31.1 | -178 | -30 | 36.3 | 0 | 0 | 0 | 115.4 | Q126 | P123-Q126 WeakPolarHBondContact O-CB 3.38Å; P123-Q126 PolarHBondContact O-N 3.4Å |
| 124 | W | 89 | Confident | 69.2 | Low | 203 Ų | 203 | 124.8 Ų | 124.8 | 77% | 0.769 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -22.6 | 176.5 | 64.2 | -96 | 0 | 0 | 0 | 113.8 | Y122 Q126 | Y122-W124 VanDerWaalsContact CB-NE1 3.27Å; Y122-W124 HydrophobicContact CD2-CZ2 4.42Å; Y122-W124 AromaticContact CG-NE1 3.82Å; Y122-W124 PolarHBondContact O-N 3.45Å; W124-Q126 VanDerWaalsContact C-N 3.26Å |
| 125 | M | 87.6 | Confident | 68.9 | Low | 85 Ų | 85 | 125 Ų | 125 | 42% | 0.419 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78 | -17.7 | 174.6 | -61.4 | 176.5 | 71.6 | 0 | 0 | 111.4 | I121 Y122 | I121-M125 HydrophobicContact CG2-CB 3.82Å; Y122-M125 HydrophobicContact CD2-SD 3.7Å; Y122-M125 HydrophobicContact CG-SD 4.46Å; Y122-M125 WeakPolarHBondContact O-CA 3.37Å; Y122-M125 VanDerWaalsContact O-CB 3.32Å; Y122-M125 WeakPolarHBondContact O-CB 3.36Å; Y122-M125 PolarHBondContact O-N 2.93Å |
| 126 | Q | 83.5 | Confident | 68.7 | Low | 111 Ų | 111 | 118.6 Ų | 118.6 | 52% | 0.519 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -75.4 | 127.4 | 179.5 | -60.5 | 179.2 | 0.7 | 0 | 0 | 109.8 | I121 Y122 P123 W124 M128 | I121-Q126 HydrophobicContact CG2-CG 3.8Å; Y122-Q126 PolarHBondContact O-N 2.93Å; P123-Q126 WeakPolarHBondContact O-CB 3.38Å; P123-Q126 PolarHBondContact O-N 3.4Å; W124-Q126 VanDerWaalsContact C-N 3.26Å; Q126-M128 PolarHBondContact O-N 3Å |
| 127 | R | 81.1 | Confident | 67.8 | Low | 123 Ų | 123 | 122.7 Ų | 122.7 | 46% | 0.464 | 67% | 0.668 | S | S | . | * | trans | -74.4 | 100.2 | 175 | -67.6 | -156.3 | -70.1 | 178.7 | -11.8 | 109.6 | N129 S130 D140 R142 | R127-N129 PolarHBondContact O-N 3.3Å; R127-S130 PolarHBondContact O-N 3.36Å; R127-D140 IonicContact CZ-OD1 3.34Å; R127-D140 IonicContact CZ-OD2 2.8Å; R127-D140 VanDerWaalsContact CZ-OD2 3.25Å; R127-D140 IonicContact NH1-OD1 3.88Å; R127-D140 PolarHBondContact NH1-OD1 2.79Å; R127-D140 IonicContact NH1-OD2 3.99Å; R127-D140 PolarHBondContact NH1-OD2 2.84Å; R127-D140 VanDerWaalsContact NH2-CG 3.3Å; R127-D140 IonicContact NH2-OD1 2.7Å; R127-D140 PolarHBondContact NH2-OD1 3.43Å; R127-D140 IonicContact NH2-OD2 2.78Å; R127-D140 PolarHBondContact NH2-OD2 3.41Å; R127-R142 VanDerWaalsContact NH1-NE 3.11Å; R127-R142 VanDerWaalsContact NH1-NH2 3.16Å | ||
| 128 | M | 64.3 | Low | 67.2 | Low | 148 Ų | 148 | 121.1 Ų | 121.1 | 73% | 0.729 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -11.3 | -177.4 | -59.6 | 148.4 | 78.8 | 0 | 0 | 114.4 | Q126 H131 | Q126-M128 PolarHBondContact O-N 3Å; M128-H131 PolarHBondContact O-CE1 2.84Å; M128-H131 PolarHBondContact O-ND1 2.9Å |
| 129 | N | 61 | Low | 66 | Low | 155 Ų | 155 | 119.6 Ų | 119.6 | 83% | 0.829 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 5 | 179.1 | -68.7 | 40.9 | 0 | 0 | 0 | 114.1 | R127 H131 | R127-N129 PolarHBondContact O-N 3.3Å; N129-H131 VanDerWaalsContact C-N 3.33Å; N129-H131 PolarHBondContact O-N 3.06Å |
| 130 | S | 55.9 | Low | 64.6 | Low | 77 Ų | 77 | 118 Ų | 118 | 54% | 0.538 | 66% | 0.655 | S | S | . | * | trans | -93.2 | 33.7 | 175.6 | 88 | 0 | 0 | 0 | 0 | 114 | R127 S132 | R127-S130 PolarHBondContact O-N 3.36Å; S130-S132 PolarHBondContact O-N 3.19Å | ||
| 131 | H | 51.8 | Low | 63.2 | Low | 177 Ų | 177 | 125.2 Ų | 125.2 | 82% | 0.819 | 67% | 0.672 | S | S | * | * | trans | -74.8 | 39 | 174.6 | -74.2 | 76.1 | 0 | 0 | 0 | 113.1 | M128 N129 | M128-H131 PolarHBondContact O-CE1 2.84Å; M128-H131 PolarHBondContact O-ND1 2.9Å; N129-H131 VanDerWaalsContact C-N 3.33Å; N129-H131 PolarHBondContact O-N 3.06Å | ||
| 132 | S | 52.3 | Low | 62.1 | Low | 100 Ų | 100 | 128.4 Ų | 128.4 | 70% | 0.699 | 68% | 0.677 | S | S | * | * | trans | -138.2 | 56 | 165.6 | 62.8 | 0 | 0 | 0 | 0 | 108.3 | S130 G134 | S130-S132 PolarHBondContact O-N 3.19Å; S132-G134 VanDerWaalsContact C-N 3.32Å; S132-G134 PolarHBondContact O-N 3.11Å | ||
| 133 | A | 51.6 | Low | 61.4 | Low | 104 Ų | 104 | 133.7 Ų | 133.7 | 86% | 0.86 | 70% | 0.696 | S | S | * | * | trans | -86.9 | 81 | 162.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 134 | G | 48.6 | Very low | 61.1 | Low | 56 Ų | 56 | 132.4 Ų | 132.4 | 58% | 0.577 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 169.1 | 111.3 | 179 | 0 | 0 | 0 | 0 | 0 | 108.4 | S132 | S132-G134 VanDerWaalsContact C-N 3.32Å; S132-G134 PolarHBondContact O-N 3.11Å |
| 135 | V | 47.8 | Very low | 61.1 | Low | 151 Ų | 151 | 133 Ų | 133 | 92% | 0.915 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 85.1 | 110.7 | -172.1 | -162.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 136 | G | 47.4 | Very low | 61.3 | Low | 59 Ų | 59 | 135.6 Ų | 135.6 | 61% | 0.608 | 71% | 0.714 | S | S | * | * | trans | -70.2 | -178.6 | -167.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 137 | Y | 40.8 | Very low | 61.9 | Low | 239 Ų | 239 | 136.8 Ų | 136.8 | 94% | 0.937 | 72% | 0.723 | S | S | * | * | trans | 81.8 | 102.6 | 179 | -54 | -79.2 | 0 | 0 | 0 | 116.1 | ||||
| 138 | G | 46 | Very low | 62.7 | Low | 57 Ų | 57 | 133.6 Ų | 133.6 | 59% | 0.588 | 71% | 0.711 | S | S | * | * | 98.7 | 99.6 | 126.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 139 | T | 48.6 | Very low | 64.4 | Low | 127 Ų | 127 | 129.2 Ų | 129.2 | 78% | 0.779 | 70% | 0.695 | S | S | * | * | trans | 72.7 | 125 | 153.8 | 83 | 0 | 0 | 0 | 0 | 115.9 | R141 | T139-R141 PolarHBondContact O-N 3.38Š| ||
| 140 | D | 52.4 | Low | 66.2 | Low | 92 Ų | 92 | 131.5 Ų | 131.5 | 49% | 0.492 | 69% | 0.692 | S | S | . | * | trans | -30.8 | 90.8 | 157.8 | -152.4 | -24.8 | 0 | 0 | 0 | 112.6 | R127 R142 | R127-D140 IonicContact CZ-OD1 3.34Å; R127-D140 IonicContact CZ-OD2 2.8Å; R127-D140 VanDerWaalsContact CZ-OD2 3.25Å; R127-D140 IonicContact NH1-OD1 3.88Å; R127-D140 PolarHBondContact NH1-OD1 2.79Å; R127-D140 IonicContact NH1-OD2 3.99Å; R127-D140 PolarHBondContact NH1-OD2 2.84Å; R127-D140 VanDerWaalsContact NH2-CG 3.3Å; R127-D140 IonicContact NH2-OD1 2.7Å; R127-D140 PolarHBondContact NH2-OD1 3.43Å; R127-D140 IonicContact NH2-OD2 2.78Å; R127-D140 PolarHBondContact NH2-OD2 3.41Å; D140-R142 PolarHBondContact O-N 2.85Å; D140-R142 WeakPolarHBondContact OD1-CG 3.43Å; D140-R142 IonicContact OD1-NE 2.7Å; D140-R142 IonicContact OD2-NE 3.37Å | ||
| 141 | R | 55.9 | Low | 68.2 | Low | 229 Ų | 229 | 134.5 Ų | 134.5 | 86% | 0.864 | 69% | 0.692 | S | S | * | * | trans | -71.9 | 51.8 | 173 | -66.1 | -161.9 | -177.1 | -144 | 4.8 | 110.8 | T139 R143 | T139-R141 PolarHBondContact O-N 3.38Å; R141-R143 VanDerWaalsContact C-N 3.27Å; R141-R143 PolarHBondContact O-N 3.45Å | ||
| 142 | R | 61.7 | Low | 70.4 | Confident | 179 Ų | 179 | 127.5 Ų | 127.5 | 68% | 0.675 | 66% | 0.66 | S | S | * | * | trans | -58.8 | 101.7 | 154.6 | -60.5 | -148 | -179.3 | -147 | 0.2 | 105.2 | R127 D140 G144 | R127-R142 VanDerWaalsContact NH1-NE 3.11Å; R127-R142 VanDerWaalsContact NH1-NH2 3.16Å; D140-R142 PolarHBondContact O-N 2.85Å; D140-R142 WeakPolarHBondContact OD1-CG 3.43Å; D140-R142 IonicContact OD1-NE 2.7Å; D140-R142 IonicContact OD2-NE 3.37Å; R142-G144 PolarHBondContact O-N 3.26Å | ||
| 143 | R | 74.1 | Confident | 72.6 | Confident | 237 Ų | 237 | 125 Ų | 125 | 89% | 0.894 | 64% | 0.64 | S | S | * | * | trans | -50.5 | 109.1 | 171.2 | -68.4 | -179.7 | -178.5 | -170.8 | -0.3 | 106.4 | R141 R145 | R141-R143 VanDerWaalsContact C-N 3.27Å; R141-R143 PolarHBondContact O-N 3.45Å; R143-R145 PolarHBondContact O-N 3.46Å | ||
| 144 | G | 80.8 | Confident | 74.8 | Confident | 72 Ų | 72 | 123.8 Ų | 123.8 | 74% | 0.742 | 62% | 0.619 | S | S | * | * | trans | -53.6 | 131.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | R142 Q146 | R142-G144 PolarHBondContact O-N 3.26Å; G144-Q146 PolarHBondContact O-N 3.39Å; G144-Q146 VanDerWaalsContact O-N 3.14Å | ||
| 145 | R | 89.9 | Confident | 77.2 | Confident | 214 Ų | 214 | 123.4 Ų | 123.4 | 81% | 0.808 | 60% | 0.602 | S | S | * | * | trans | -72.7 | 111.4 | 178.7 | -168.8 | 179.6 | -146.9 | -95.9 | 4.3 | 107.9 | R143 I147 | R143-R145 PolarHBondContact O-N 3.46Å; R145-I147 PolarHBondContact O-N 3.47Å | ||
| 146 | Q | 92.8 | Very high | 79.6 | Confident | 141 Ų | 141 | 116.2 Ų | 116.2 | 66% | 0.659 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 133.4 | 169.9 | -174 | 59.7 | 37.8 | 0 | 0 | 109.8 | G144 | G144-Q146 PolarHBondContact O-N 3.39Å; G144-Q146 VanDerWaalsContact O-N 3.14Å |
| 147 | I | 95.8 | Very high | 82.1 | Confident | 136 Ų | 136 | 116.8 Ų | 116.8 | 70% | 0.697 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -95.9 | 137 | 172.8 | -57.3 | 176.5 | 0 | 0 | 0 | 108.1 | R145 | R145-I147 PolarHBondContact O-N 3.47Š|
| 148 | Y | 98.1 | Very high | 84.8 | Confident | 55 Ų | 55 | 111 Ų | 111 | 22% | 0.216 | 53% | 0.525 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 144.6 | 174.4 | -59.4 | -46 | 0 | 0 | 0 | 110.4 | L180 W188 | Y148-L180 HydrophobicContact CD1-CD1 4.13Å; Y148-L180 HydrophobicContact CD1-CD2 3.88Å; Y148-L180 HydrophobicContact CE1-CD1 4.02Å; Y148-L180 HydrophobicContact CE1-CD2 3.65Å; Y148-W188 AromaticContact CD2-CD1 3.87Å; Y148-W188 AromaticContact CE2-CD1 3.65Å |
| 149 | S | 98.5 | Very high | 87.3 | Confident | 56 Ų | 56 | 109 Ų | 109 | 39% | 0.392 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 164.1 | 175.1 | 78.8 | 0 | 0 | 0 | 0 | 111.2 | Y151 Q152 T153 | S149-Y151 VanDerWaalsContact C-N 3.3Å; S149-Y151 PolarHBondContact O-N 2.75Å; S149-Q152 PolarHBondContact O-N 3.04Å; S149-Q152 WeakPolarHBondContact OG-CG 3.14Å; S149-Q152 PolarHBondContact OG-N 3.25Å; S149-Q152 VanDerWaalsContact OG-N 3.17Å; S149-T153 PolarHBondContact O-N 3.36Å; S149-T153 PolarHBondContact O-OG1 3.13Å |
| 150 | R | 98.4 | Very high | 89.7 | Confident | 204 Ų | 204 | 103 Ų | 103 | 77% | 0.77 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -58 | -45 | 174.8 | -173.9 | 172.2 | -176.9 | -100.9 | 0.3 | 111.2 | T153 L154 | R150-T153 PolarHBondContact O-N 3.17Å; R150-L154 HydrophobicContact CG-CD1 4.06Å; R150-L154 HydrophobicContact CG-CG 4.46Å; R150-L154 WeakPolarHBondContact O-CG 3.34Å; R150-L154 PolarHBondContact O-N 2.87Å |
| 151 | Y | 98.5 | Very high | 91.9 | Very high | 139 Ų | 139 | 103.8 Ų | 103.8 | 55% | 0.545 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.4 | -48.7 | 176.8 | 173.2 | -105.9 | 0 | 0 | 0 | 112.2 | S149 T153 L154 E155 L178 | S149-Y151 VanDerWaalsContact C-N 3.3Å; S149-Y151 PolarHBondContact O-N 2.75Å; Y151-T153 VanDerWaalsContact C-N 3.3Å; Y151-T153 PolarHBondContact O-N 3.03Å; Y151-L154 PolarHBondContact O-N 3.38Å; Y151-E155 HydrophobicContact CD2-CG 4.31Å; Y151-E155 HydrophobicContact CE1-CG 4.42Å; Y151-E155 HydrophobicContact CE2-CG 3.76Å; Y151-E155 PolarHBondContact O-N 3.39Å; Y151-L178 HydrophobicContact CD1-CD2 4.18Å; Y151-L178 HydrophobicContact CE1-CD2 3.61Å |
| 152 | Q | 98.6 | Very high | 93.9 | Very high | 31 Ų | 31 | 100.8 Ų | 100.8 | 15% | 0.145 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 177.7 | -72.5 | 173.6 | -31.1 | 0 | 0 | 111.8 | S149 L156 L178 | S149-Q152 PolarHBondContact O-N 3.04Å; S149-Q152 WeakPolarHBondContact OG-CG 3.14Å; S149-Q152 PolarHBondContact OG-N 3.25Å; S149-Q152 VanDerWaalsContact OG-N 3.17Å; Q152-L156 WeakPolarHBondContact O-CB 3.48Å; Q152-L156 WeakPolarHBondContact O-CD1 3.42Å; Q152-L156 WeakPolarHBondContact O-CG 3.46Å; Q152-L156 PolarHBondContact O-N 3.32Å; Q152-L156 VanDerWaalsContact O-N 3.07Å; Q152-L178 HydrophobicContact CG-CB 4.32Å; Q152-L178 PolarHBondContact NE2-O 2.93Å |
| 153 | T | 98.4 | Very high | 95.6 | Very high | 46 Ų | 46 | 95.6 Ų | 95.6 | 28% | 0.282 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 179.9 | -54.6 | 0 | 0 | 0 | 0 | 111.5 | S149 R150 Y151 L156 E157 | S149-T153 PolarHBondContact O-N 3.36Å; S149-T153 PolarHBondContact O-OG1 3.13Å; R150-T153 PolarHBondContact O-N 3.17Å; Y151-T153 VanDerWaalsContact C-N 3.3Å; Y151-T153 PolarHBondContact O-N 3.03Å; T153-L156 PolarHBondContact O-N 2.99Å; T153-E157 WeakPolarHBondContact O-CG 2.77Å; T153-E157 PolarHBondContact O-N 3.1Å |
| 154 | L | 98.5 | Very high | 96.7 | Very high | 79 Ų | 79 | 88.3 Ų | 88.3 | 41% | 0.414 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.6 | -45.9 | 179.5 | -72 | 172.5 | 0 | 0 | 0 | 112.3 | R150 Y151 L156 E157 K158 | R150-L154 HydrophobicContact CG-CD1 4.06Å; R150-L154 HydrophobicContact CG-CG 4.46Å; R150-L154 WeakPolarHBondContact O-CG 3.34Å; R150-L154 PolarHBondContact O-N 2.87Å; Y151-L154 PolarHBondContact O-N 3.38Å; L154-L156 VanDerWaalsContact C-N 3.33Å; L154-L156 PolarHBondContact O-N 3.49Å; L154-E157 PolarHBondContact O-N 2.94Å; L154-K158 WeakPolarHBondContact O-CB 3.4Å; L154-K158 PolarHBondContact O-N 3.34Å |
| 155 | E | 98.6 | Very high | 97.6 | Very high | 48 Ų | 48 | 91.7 Ų | 91.7 | 22% | 0.224 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.4 | -37.4 | 177.7 | -74.1 | -59.7 | 120.6 | 0 | 0 | 111.7 | Y151 E157 K158 E159 L178 | Y151-E155 HydrophobicContact CD2-CG 4.31Å; Y151-E155 HydrophobicContact CE1-CG 4.42Å; Y151-E155 HydrophobicContact CE2-CG 3.76Å; Y151-E155 PolarHBondContact O-N 3.39Å; E155-E157 PolarHBondContact O-N 3.42Å; E155-K158 PolarHBondContact O-N 3.05Å; E155-K158 IonicContact OE1-NZ 3.88Å; E155-K158 PolarHBondContact OE1-NZ 2.87Å; E155-K158 IonicContact OE2-NZ 3.77Å; E155-K158 PolarHBondContact OE2-NZ 2.95Å; E155-E159 WeakPolarHBondContact O-CB 3.43Å; E155-E159 VanDerWaalsContact O-CG 3.29Å; E155-E159 WeakPolarHBondContact O-CG 3.34Å; E155-E159 PolarHBondContact O-N 3.11Å; E155-L178 HydrophobicContact CB-CD1 4.07Å; E155-L178 HydrophobicContact CB-CD2 3.74Å; E155-L178 HydrophobicContact CB-CG 4.47Å; E155-L178 HydrophobicContact CG-CD2 4.01Å |
| 156 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.3 | -39.4 | 174.2 | -71.4 | 167.1 | 0 | 0 | 0 | 112.4 | Q152 T153 L154 F160 I174 L178 L180 I185 W188 F189 | Q152-L156 WeakPolarHBondContact O-CB 3.48Å; Q152-L156 WeakPolarHBondContact O-CD1 3.42Å; Q152-L156 WeakPolarHBondContact O-CG 3.46Å; Q152-L156 PolarHBondContact O-N 3.32Å; Q152-L156 VanDerWaalsContact O-N 3.07Å; T153-L156 PolarHBondContact O-N 2.99Å; L154-L156 VanDerWaalsContact C-N 3.33Å; L154-L156 PolarHBondContact O-N 3.49Å; L156-F160 WeakPolarHBondContact O-CB 3.29Å; L156-F160 PolarHBondContact O-N 3.39Å; L156-I174 HydrophobicContact CD2-CG2 4.21Å; L156-L178 HydrophobicContact CD1-CD1 4.47Å; L156-L178 HydrophobicContact CD2-CD1 3.97Å; L156-L178 HydrophobicContact CG-CD1 3.77Å; L156-L180 HydrophobicContact CD1-CD1 4.29Å; L156-I185 HydrophobicContact CD2-CD1 3.76Å; L156-W188 VanDerWaalsContact C-CH2 3.47Å; L156-W188 HydrophobicContact CB-CD2 3.89Å; L156-W188 HydrophobicContact CB-CE3 3.91Å; L156-W188 HydrophobicContact CB-CH2 3.61Å; L156-W188 HydrophobicContact CB-CZ2 3.56Å; L156-W188 HydrophobicContact CB-CZ3 3.77Å; L156-W188 HydrophobicContact CD1-CD2 3.85Å; L156-W188 HydrophobicContact CD1-CG 3.81Å; L156-W188 HydrophobicContact CD1-CZ2 4.5Å; L156-W188 HydrophobicContact CD2-CD2 4.33Å; L156-W188 HydrophobicContact CD2-CE3 4.26Å; L156-W188 HydrophobicContact CG-CD2 4.25Å; L156-W188 HydrophobicContact CG-CE3 4.47Å; L156-W188 WeakPolarHBondContact O-CH2 3.48Å; L156-W188 WeakPolarHBondContact O-CZ3 3.47Å; L156-F189 HydrophobicContact CD2-CE2 4.07Å |
| 157 | E | 98.6 | Very high | 98.2 | Very high | 71 Ų | 71 | 80.4 Ų | 80.4 | 33% | 0.332 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67.2 | -45.4 | 175.4 | -75.2 | -172.1 | 175.9 | 0 | 0 | 111.9 | T153 L154 E155 E159 F160 H161 W188 | T153-E157 WeakPolarHBondContact O-CG 2.77Å; T153-E157 PolarHBondContact O-N 3.1Å; L154-E157 PolarHBondContact O-N 2.94Å; E155-E157 PolarHBondContact O-N 3.42Å; E157-E159 PolarHBondContact O-N 3.1Å; E157-F160 CarbonylContact O-C 3.44Å; E157-F160 WeakPolarHBondContact O-CB 3.45Å; E157-F160 PolarHBondContact O-N 3.47Å; E157-F160 VanDerWaalsContact O-N 3.13Å; E157-H161 PolarHBondContact O-CD2 3.16Å; E157-H161 PolarHBondContact O-N 3.47Å; E157-W188 HydrophobicContact CG-CH2 3.93Å; E157-W188 HydrophobicContact CG-CZ2 3.99Å |
| 158 | K | 98.5 | Very high | 98.4 | Very high | 119 Ų | 119 | 80.3 Ų | 80.3 | 52% | 0.517 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -55 | -50.2 | 174.2 | 172.1 | -178.1 | 154.4 | -154.7 | 0 | 111.5 | L154 E155 F160 H161 F162 | L154-K158 WeakPolarHBondContact O-CB 3.4Å; L154-K158 PolarHBondContact O-N 3.34Å; E155-K158 PolarHBondContact O-N 3.05Å; E155-K158 IonicContact OE1-NZ 3.88Å; E155-K158 PolarHBondContact OE1-NZ 2.87Å; E155-K158 IonicContact OE2-NZ 3.77Å; E155-K158 PolarHBondContact OE2-NZ 2.95Å; K158-F160 VanDerWaalsContact C-N 3.31Å; K158-F160 PolarHBondContact O-N 3.22Å; K158-H161 PolarHBondContact O-N 2.98Å; K158-F162 PolarHBondContact O-N 3.5Å |
| 159 | E | 98.4 | Very high | 98.4 | Very high | 14 Ų | 14 | 86.5 Ų | 86.5 | 7% | 0.065 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.8 | -38.3 | 176.5 | -72 | -63.3 | 135.6 | 0 | 0 | 112.2 | E155 E157 H161 F162 N163 R170 I174 F189 | E155-E159 WeakPolarHBondContact O-CB 3.43Å; E155-E159 VanDerWaalsContact O-CG 3.29Å; E155-E159 WeakPolarHBondContact O-CG 3.34Å; E155-E159 PolarHBondContact O-N 3.11Å; E157-E159 PolarHBondContact O-N 3.1Å; E159-H161 VanDerWaalsContact C-N 3.32Å; E159-H161 PolarHBondContact O-N 3.22Å; E159-F162 PolarHBondContact O-N 3.29Å; E159-N163 PolarHBondContact O-N 3.25Å; E159-R170 IonicContact OE1-CZ 3.95Å; E159-R170 IonicContact OE1-NE 2.84Å; E159-R170 IonicContact OE1-NH2 3.34Å; E159-R170 PolarHBondContact OE1-NH2 3.08Å; E159-R170 IonicContact OE2-CZ 3.43Å; E159-R170 IonicContact OE2-NE 3.33Å; E159-R170 PolarHBondContact OE2-NE 3.12Å; E159-R170 IonicContact OE2-NH2 2.73Å; E159-R170 PolarHBondContact OE2-NH2 3.42Å; E159-I174 HydrophobicContact CB-CD1 4.01Å; E159-I174 HydrophobicContact CG-CD1 3.64Å; E159-I174 HydrophobicContact CG-CG1 4.05Å; E159-F189 HydrophobicContact CB-CZ 4.06Å |
| 160 | F | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 88 Ų | 88 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 175.4 | -176.1 | -103 | 0 | 0 | 0 | 111.9 | L156 E157 K158 N163 R164 W188 F189 R192 R193 W196 | L156-F160 WeakPolarHBondContact O-CB 3.29Å; L156-F160 PolarHBondContact O-N 3.39Å; E157-F160 CarbonylContact O-C 3.44Å; E157-F160 WeakPolarHBondContact O-CB 3.45Å; E157-F160 PolarHBondContact O-N 3.47Å; E157-F160 VanDerWaalsContact O-N 3.13Å; K158-F160 VanDerWaalsContact C-N 3.31Å; K158-F160 PolarHBondContact O-N 3.22Å; F160-N163 CarbonylContact O-C 3.34Å; F160-R164 VanDerWaalsContact CE1-NH1 3.31Å; F160-R164 HydrophobicContact CE2-CB 3.93Å; F160-R164 HydrophobicContact CZ-CB 4.2Å; F160-R164 HydrophobicContact CZ-CG 4.41Å; F160-R164 WeakPolarHBondContact O-CD 3.43Å; F160-R164 PolarHBondContact O-NE 3Å; F160-W188 HydrophobicContact CB-CH2 4.35Å; F160-W188 HydrophobicContact CB-CZ3 4.06Å; F160-F189 HydrophobicContact CB-CE1 4.23Å; F160-F189 HydrophobicContact CB-CZ 4.35Å; F160-F189 AromaticContact CD2-CD1 3.99Å; F160-F189 HydrophobicContact CD2-CD1 3.99Å; F160-F189 AromaticContact CD2-CE1 3.92Å; F160-F189 HydrophobicContact CD2-CE1 3.92Å; F160-R192 HydrophobicContact CB-CG 4.38Å; F160-R192 HydrophobicContact CD1-CG 3.65Å; F160-R192 HydrophobicContact CD2-CB 4.3Å; F160-R192 HydrophobicContact CD2-CG 3.66Å; F160-R192 HydrophobicContact CE1-CG 3.73Å; F160-R192 HydrophobicContact CE2-CB 4.32Å; F160-R192 HydrophobicContact CE2-CG 3.76Å; F160-R192 HydrophobicContact CG-CG 3.61Å; F160-R192 HydrophobicContact CZ-CG 3.79Å; F160-R193 HydrophobicContact CE2-CG 3.74Å; F160-R193 HydrophobicContact CZ-CG 4.24Å; F160-W196 HydrophobicContact CE1-CB 4.3Å; F160-W196 HydrophobicContact CE1-CG 4.37Å; F160-W196 HydrophobicContact CZ-CB 4.12Å; F160-W196 HydrophobicContact CZ-CG 4.32Å |
| 161 | H | 98.1 | Very high | 98.4 | Very high | 109 Ų | 109 | 80.7 Ų | 80.7 | 51% | 0.505 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.6 | -39 | 175.5 | -78.6 | -71.8 | 0 | 0 | 0 | 112.1 | E157 K158 E159 | E157-H161 PolarHBondContact O-CD2 3.16Å; E157-H161 PolarHBondContact O-N 3.47Å; K158-H161 PolarHBondContact O-N 2.98Å; E159-H161 VanDerWaalsContact C-N 3.32Å; E159-H161 PolarHBondContact O-N 3.22Å |
| 162 | F | 98.2 | Very high | 98.4 | Very high | 167 Ų | 167 | 77 Ų | 77 | 73% | 0.732 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63 | -49.1 | 175.2 | 179.7 | -103.5 | 0 | 0 | 0 | 112.2 | K158 E159 | K158-F162 PolarHBondContact O-N 3.5Å; E159-F162 PolarHBondContact O-N 3.29Å |
| 163 | N | 97.4 | Very high | 98.4 | Very high | 70 Ų | 70 | 78.6 Ų | 78.6 | 37% | 0.374 | 35% | 0.35 | S | S | . | . | trans | -147.7 | 128.4 | 175.2 | -168.9 | -14.9 | 0 | 0 | 0 | 111.5 | E159 F160 Y165 | E159-N163 PolarHBondContact O-N 3.25Å; F160-N163 CarbonylContact O-C 3.34Å; N163-Y165 PolarHBondContact ND2-O 3.02Å; N163-Y165 VanDerWaalsContact ND2-O 3.11Å; N163-Y165 PolarHBondContact O-N 3.33Å; N163-Y165 PolarHBondContact OD1-N 3.5Å; N163-Y165 VanDerWaalsContact OD1-N 3.08Å; N163-Y165 PolarHBondContact OD1-O 3.16Å | ||
| 164 | R | 97.9 | Very high | 98.4 | Very high | 84 Ų | 84 | 76.8 Ų | 76.8 | 32% | 0.317 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -74.9 | -12.6 | -174 | -46.2 | -33.3 | 178.3 | 104.8 | -6.2 | 111.5 | F160 R193 | F160-R164 VanDerWaalsContact CE1-NH1 3.31Å; F160-R164 HydrophobicContact CE2-CB 3.93Å; F160-R164 HydrophobicContact CZ-CB 4.2Å; F160-R164 HydrophobicContact CZ-CG 4.41Å; F160-R164 WeakPolarHBondContact O-CD 3.43Å; F160-R164 PolarHBondContact O-NE 3Å; R164-R193 WeakPolarHBondContact O-CD 3.45Å |
| 165 | Y | 98.3 | Very high | 98.4 | Very high | 143 Ų | 143 | 73.2 Ų | 73.2 | 56% | 0.561 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -133.5 | 136.6 | -178.6 | -63.3 | -108.1 | 0 | 0 | 0 | 109.5 | N163 R193 | N163-Y165 PolarHBondContact ND2-O 3.02Å; N163-Y165 VanDerWaalsContact ND2-O 3.11Å; N163-Y165 PolarHBondContact O-N 3.33Å; N163-Y165 PolarHBondContact OD1-N 3.5Å; N163-Y165 VanDerWaalsContact OD1-N 3.08Å; N163-Y165 PolarHBondContact OD1-O 3.16Å; Y165-R193 VanDerWaalsContact CD1-NH1 3.32Å |
| 166 | L | 98.3 | Very high | 98.4 | Very high | 31 Ų | 31 | 76.6 Ų | 76.6 | 16% | 0.162 | 34% | 0.341 | C | S | . | . | trans | -99.3 | 139.2 | 178.7 | -63.4 | 179.8 | 0 | 0 | 0 | 111.9 | R170 I174 I185 F189 | L166-R170 HydrophobicContact CD2-CG 3.91Å; L166-I174 HydrophobicContact CD1-CD1 3.92Å; L166-I174 HydrophobicContact CD2-CD1 3.85Å; L166-I185 HydrophobicContact CD1-CG2 3.52Å; L166-F189 HydrophobicContact CD1-CD1 4.13Å; L166-F189 HydrophobicContact CD1-CD2 3.63Å; L166-F189 HydrophobicContact CD1-CE1 3.94Å; L166-F189 HydrophobicContact CD1-CE2 3.44Å; L166-F189 VanDerWaalsContact CD1-CE2 3.44Å; L166-F189 HydrophobicContact CD1-CG 3.99Å; L166-F189 HydrophobicContact CD1-CZ 3.6Å; L166-F189 HydrophobicContact CD2-CD1 4.5Å; L166-F189 HydrophobicContact CD2-CE1 3.74Å; L166-F189 HydrophobicContact CD2-CE2 4.41Å; L166-F189 HydrophobicContact CD2-CZ 3.7Å; L166-F189 HydrophobicContact CG-CD1 3.8Å; L166-F189 HydrophobicContact CG-CD2 4.23Å; L166-F189 HydrophobicContact CG-CE1 3.52Å; L166-F189 HydrophobicContact CG-CE2 4.01Å; L166-F189 HydrophobicContact CG-CG 4.15Å; L166-F189 HydrophobicContact CG-CZ 3.65Å | ||
| 167 | T | 98.6 | Very high | 98.4 | Very high | 86 Ų | 86 | 79.9 Ų | 79.9 | 53% | 0.528 | 37% | 0.368 | S | S | . | . | trans | -72.6 | 166.4 | 163.5 | 66.7 | 0 | 0 | 0 | 0 | 110.8 | R169 R170 R171 | T167-R169 PolarHBondContact O-N 3.14Å; T167-R170 WeakPolarHBondContact OG1-CB 3.39Å; T167-R170 PolarHBondContact OG1-N 3.38Å; T167-R171 WeakPolarHBondContact O-CB 3.46Å; T167-R171 PolarHBondContact O-N 2.79Å; T167-R171 VanDerWaalsContact O-N 3.16Å | ||
| 168 | R | 98.4 | Very high | 98.4 | Very high | 135 Ų | 135 | 76.9 Ų | 76.9 | 51% | 0.509 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.1 | -47.1 | 177.3 | 179.7 | 65.9 | 179.7 | 89 | -10.7 | 112.1 | R171 I172 E182 | R168-R171 WeakPolarHBondContact O-CB 3.35Å; R168-R171 PolarHBondContact O-N 3.22Å; R168-I172 PolarHBondContact O-N 3.36Å; R168-E182 IonicContact CZ-OE1 3.25Å; R168-E182 VanDerWaalsContact CZ-OE1 3.23Å; R168-E182 IonicContact CZ-OE2 3.28Å; R168-E182 IonicContact NE-OE2 2.92Å; R168-E182 IonicContact NH1-OE1 2.66Å; R168-E182 PolarHBondContact NH1-OE1 2.97Å; R168-E182 IonicContact NH1-OE2 3.78Å; R168-E182 PolarHBondContact NH1-OE2 2.77Å; R168-E182 IonicContact NH2-OE1 3.23Å; R168-E182 PolarHBondContact NH2-OE1 2.92Å; R168-E182 IonicContact NH2-OE2 2.77Å; R168-E182 PolarHBondContact NH2-OE2 3.15Å |
| 169 | R | 98.4 | Very high | 98.3 | Very high | 185 Ų | 185 | 76.7 Ų | 76.7 | 70% | 0.698 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.1 | -51.4 | -179.8 | 177 | -179.8 | 150.7 | 167.2 | -6.3 | 111.4 | T167 R171 I172 E173 | T167-R169 PolarHBondContact O-N 3.14Å; R169-R171 PolarHBondContact O-N 2.9Å; R169-I172 WeakPolarHBondContact O-CB 3.42Å; R169-I172 PolarHBondContact O-N 3.24Å; R169-E173 WeakPolarHBondContact CG-OE1 3.39Å; R169-E173 IonicContact CZ-OE1 2.84Å; R169-E173 IonicContact NE-OE1 3.86Å; R169-E173 PolarHBondContact NE-OE1 3.28Å; R169-E173 IonicContact NH2-OE1 3.88Å; R169-E173 PolarHBondContact NH2-OE1 3.43Å; R169-E173 PolarHBondContact O-N 3.29Å |
| 170 | R | 98.6 | Very high | 98.3 | Very high | 86 Ų | 86 | 76.9 Ų | 76.9 | 33% | 0.325 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.3 | -35.3 | -178.5 | -172.6 | 56.2 | 175.6 | 179.2 | -2.3 | 112.6 | E159 L166 T167 I172 E173 I174 | E159-R170 IonicContact OE1-CZ 3.95Å; E159-R170 IonicContact OE1-NE 2.84Å; E159-R170 IonicContact OE1-NH2 3.34Å; E159-R170 PolarHBondContact OE1-NH2 3.08Å; E159-R170 IonicContact OE2-CZ 3.43Å; E159-R170 IonicContact OE2-NE 3.33Å; E159-R170 PolarHBondContact OE2-NE 3.12Å; E159-R170 IonicContact OE2-NH2 2.73Å; E159-R170 PolarHBondContact OE2-NH2 3.42Å; L166-R170 HydrophobicContact CD2-CG 3.91Å; T167-R170 WeakPolarHBondContact OG1-CB 3.39Å; T167-R170 PolarHBondContact OG1-N 3.38Å; R170-I172 VanDerWaalsContact C-N 3.3Å; R170-I172 PolarHBondContact O-N 2.85Å; R170-E173 VanDerWaalsContact CD-OE2 3.24Å; R170-E173 WeakPolarHBondContact CD-OE2 3.24Å; R170-E173 IonicContact CZ-OE2 3.96Å; R170-E173 IonicContact NE-OE2 2.86Å; R170-E173 IonicContact NH1-OE2 3.68Å; R170-E173 PolarHBondContact NH1-OE2 3.36Å; R170-E173 PolarHBondContact O-N 3.26Å; R170-I174 HydrophobicContact CG-CD1 3.88Å; R170-I174 HydrophobicContact CG-CG1 4.45Å; R170-I174 WeakPolarHBondContact O-CG1 2.73Å; R170-I174 PolarHBondContact O-N 2.82Å; R170-I174 VanDerWaalsContact O-N 3.11Å |
| 171 | R | 98.6 | Very high | 98.3 | Very high | 51 Ų | 51 | 80.6 Ų | 80.6 | 19% | 0.192 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.1 | -38.9 | 174.7 | -162.1 | -163.1 | -32 | -96.9 | -9.3 | 112.9 | T167 R168 R169 A175 E182 I185 | T167-R171 WeakPolarHBondContact O-CB 3.46Å; T167-R171 PolarHBondContact O-N 2.79Å; T167-R171 VanDerWaalsContact O-N 3.16Å; R168-R171 WeakPolarHBondContact O-CB 3.35Å; R168-R171 PolarHBondContact O-N 3.22Å; R169-R171 PolarHBondContact O-N 2.9Å; R171-A175 WeakPolarHBondContact O-CB 3.2Å; R171-A175 PolarHBondContact O-N 2.99Å; R171-E182 WeakPolarHBondContact CD-OE2 3.34Å; R171-E182 HydrophobicContact CG-CB 4.5Å; R171-E182 IonicContact NE-OE2 3.03Å; R171-I185 HydrophobicContact CG-CB 4.16Å; R171-I185 HydrophobicContact CG-CG2 3.92Å |
| 172 | I | 98.7 | Very high | 98.3 | Very high | 62 Ų | 62 | 78.3 Ų | 78.3 | 32% | 0.318 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.4 | -48.3 | 177.3 | -56.5 | 169.5 | 0 | 0 | 0 | 109.7 | R168 R169 R170 I174 A175 N176 | R168-I172 PolarHBondContact O-N 3.36Å; R169-I172 WeakPolarHBondContact O-CB 3.42Å; R169-I172 PolarHBondContact O-N 3.24Å; R170-I172 VanDerWaalsContact C-N 3.3Å; R170-I172 PolarHBondContact O-N 2.85Å; I172-I174 VanDerWaalsContact C-N 3.34Å; I172-I174 PolarHBondContact O-N 3.22Å; I172-A175 WeakPolarHBondContact O-CB 3.3Å; I172-A175 PolarHBondContact O-N 3.45Å; I172-N176 PolarHBondContact O-N 2.91Å |
| 173 | E | 98.6 | Very high | 98.3 | Very high | 64 Ų | 64 | 79 Ų | 79 | 30% | 0.299 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -56.4 | -48.7 | -177.6 | -65.2 | 170.5 | -175.1 | 0 | 0 | 110.9 | R169 R170 N176 A177 | R169-E173 WeakPolarHBondContact CG-OE1 3.39Å; R169-E173 IonicContact CZ-OE1 2.84Å; R169-E173 IonicContact NE-OE1 3.86Å; R169-E173 PolarHBondContact NE-OE1 3.28Å; R169-E173 IonicContact NH2-OE1 3.88Å; R169-E173 PolarHBondContact NH2-OE1 3.43Å; R169-E173 PolarHBondContact O-N 3.29Å; R170-E173 VanDerWaalsContact CD-OE2 3.24Å; R170-E173 WeakPolarHBondContact CD-OE2 3.24Å; R170-E173 IonicContact CZ-OE2 3.96Å; R170-E173 IonicContact NE-OE2 2.86Å; R170-E173 IonicContact NH1-OE2 3.68Å; R170-E173 PolarHBondContact NH1-OE2 3.36Å; R170-E173 PolarHBondContact O-N 3.26Å; E173-N176 PolarHBondContact O-N 3.32Å; E173-A177 WeakPolarHBondContact O-CB 3.45Å; E173-A177 PolarHBondContact O-N 2.91Å |
| 174 | I | 98.5 | Very high | 98.4 | Very high | 9 Ų | 9 | 78.3 Ų | 78.3 | 5% | 0.046 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.9 | -41.6 | 178.8 | -60.2 | 164.7 | 0 | 0 | 0 | 111.5 | L156 E159 L166 R170 I172 N176 A177 L178 I185 | L156-I174 HydrophobicContact CD2-CG2 4.21Å; E159-I174 HydrophobicContact CB-CD1 4.01Å; E159-I174 HydrophobicContact CG-CD1 3.64Å; E159-I174 HydrophobicContact CG-CG1 4.05Å; L166-I174 HydrophobicContact CD1-CD1 3.92Å; L166-I174 HydrophobicContact CD2-CD1 3.85Å; R170-I174 HydrophobicContact CG-CD1 3.88Å; R170-I174 HydrophobicContact CG-CG1 4.45Å; R170-I174 WeakPolarHBondContact O-CG1 2.73Å; R170-I174 PolarHBondContact O-N 2.82Å; R170-I174 VanDerWaalsContact O-N 3.11Å; I172-I174 VanDerWaalsContact C-N 3.34Å; I172-I174 PolarHBondContact O-N 3.22Å; I174-N176 VanDerWaalsContact C-N 3.3Å; I174-N176 PolarHBondContact O-N 2.9Å; I174-A177 PolarHBondContact O-N 3.35Å; I174-L178 HydrophobicContact CG2-CD1 3.7Å; I174-L178 HydrophobicContact CG2-CG 4.18Å; I174-L178 WeakPolarHBondContact O-CB 3.43Å; I174-L178 WeakPolarHBondContact O-CG 3.36Å; I174-L178 PolarHBondContact O-N 3.03Å; I174-I185 HydrophobicContact CG2-CD1 3.93Å |
| 175 | A | 98.6 | Very high | 98.4 | Very high | 4 Ų | 4 | 74.3 Ų | 74.3 | 3% | 0.033 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.1 | -46.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | R171 I172 C179 L180 E182 I185 | R171-A175 WeakPolarHBondContact O-CB 3.2Å; R171-A175 PolarHBondContact O-N 2.99Å; I172-A175 WeakPolarHBondContact O-CB 3.3Å; I172-A175 PolarHBondContact O-N 3.45Å; A175-C179 PolarHBondContact O-N 3.07Å; A175-C179 VanDerWaalsContact O-N 3.1Å; A175-L180 CarbonylContact C-O 3.59Å; A175-L180 WeakPolarHBondContact CA-O 3.4Å; A175-L180 WeakPolarHBondContact CB-O 3.39Å; A175-L180 PolarHBondContact O-N 3.28Å; A175-L180 VanDerWaalsContact O-O 3.09Å; A175-E182 HydrophobicContact CB-CG 4.2Å; A175-I185 HydrophobicContact CB-CG1 4.03Å |
| 176 | N | 98.5 | Very high | 98.4 | Very high | 119 Ų | 119 | 73.5 Ų | 73.5 | 64% | 0.636 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -66.7 | -44.9 | 178.5 | -67.5 | -14.5 | 0 | 0 | 0 | 111.7 | I172 E173 I174 L178 C179 | I172-N176 PolarHBondContact O-N 2.91Å; E173-N176 PolarHBondContact O-N 3.32Å; I174-N176 VanDerWaalsContact C-N 3.3Å; I174-N176 PolarHBondContact O-N 2.9Å; N176-L178 VanDerWaalsContact C-N 3.31Å; N176-L178 PolarHBondContact O-N 3.45Å; N176-C179 PolarHBondContact O-N 2.67Å |
| 177 | A | 98.3 | Very high | 98.4 | Very high | 69 Ų | 69 | 74.6 Ų | 74.6 | 57% | 0.57 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.5 | -31.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E173 I174 | E173-A177 WeakPolarHBondContact O-CB 3.45Å; E173-A177 PolarHBondContact O-N 2.91Å; I174-A177 PolarHBondContact O-N 3.35Å |
| 178 | L | 98.3 | Very high | 98.4 | Very high | 7 Ų | 7 | 72 Ų | 72 | 4% | 0.037 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -101.6 | 1 | -176.9 | -60.3 | -174.2 | 0 | 0 | 0 | 113.9 | Y151 Q152 E155 L156 I174 N176 L180 | Y151-L178 HydrophobicContact CD1-CD2 4.18Å; Y151-L178 HydrophobicContact CE1-CD2 3.61Å; Q152-L178 HydrophobicContact CG-CB 4.32Å; Q152-L178 PolarHBondContact NE2-O 2.93Å; E155-L178 HydrophobicContact CB-CD1 4.07Å; E155-L178 HydrophobicContact CB-CD2 3.74Å; E155-L178 HydrophobicContact CB-CG 4.47Å; E155-L178 HydrophobicContact CG-CD2 4.01Å; L156-L178 HydrophobicContact CD1-CD1 4.47Å; L156-L178 HydrophobicContact CD2-CD1 3.97Å; L156-L178 HydrophobicContact CG-CD1 3.77Å; I174-L178 HydrophobicContact CG2-CD1 3.7Å; I174-L178 HydrophobicContact CG2-CG 4.18Å; I174-L178 WeakPolarHBondContact O-CB 3.43Å; I174-L178 WeakPolarHBondContact O-CG 3.36Å; I174-L178 PolarHBondContact O-N 3.03Å; N176-L178 VanDerWaalsContact C-N 3.31Å; N176-L178 PolarHBondContact O-N 3.45Å; L178-L180 VanDerWaalsContact C-N 3.26Å; L178-L180 HydrophobicContact CB-CD1 4.24Å; L178-L180 HydrophobicContact CB-CG 4.21Å; L178-L180 PolarHBondContact O-N 3.07Å |
| 179 | C | 98.3 | Very high | 98.4 | Very high | 116 Ų | 116 | 66 Ų | 66 | 78% | 0.784 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 43.5 | -172.7 | -53.6 | 0 | 0 | 0 | 0 | 112.5 | A175 N176 | A175-C179 PolarHBondContact O-N 3.07Å; A175-C179 VanDerWaalsContact O-N 3.1Å; N176-C179 PolarHBondContact O-N 2.67Å |
| 180 | L | 97.9 | Very high | 98.4 | Very high | 17 Ų | 17 | 62 Ų | 62 | 9% | 0.089 | 31% | 0.309 | C | S | . | . | trans | -118 | 151.3 | 176.6 | -66.6 | 179.1 | 0 | 0 | 0 | 109.9 | Y148 L156 A175 L178 Q184 I185 | Y148-L180 HydrophobicContact CD1-CD1 4.13Å; Y148-L180 HydrophobicContact CD1-CD2 3.88Å; Y148-L180 HydrophobicContact CE1-CD1 4.02Å; Y148-L180 HydrophobicContact CE1-CD2 3.65Å; L156-L180 HydrophobicContact CD1-CD1 4.29Å; A175-L180 CarbonylContact C-O 3.59Å; A175-L180 WeakPolarHBondContact CA-O 3.4Å; A175-L180 WeakPolarHBondContact CB-O 3.39Å; A175-L180 PolarHBondContact O-N 3.28Å; A175-L180 VanDerWaalsContact O-O 3.09Å; L178-L180 VanDerWaalsContact C-N 3.26Å; L178-L180 HydrophobicContact CB-CD1 4.24Å; L178-L180 HydrophobicContact CB-CG 4.21Å; L178-L180 PolarHBondContact O-N 3.07Å; L180-Q184 HydrophobicContact CB-CB 4.4Å; L180-I185 HydrophobicContact CB-CD1 3.91Å; L180-I185 HydrophobicContact CB-CG1 4.42Å; L180-I185 HydrophobicContact CD1-CD1 3.93Å | ||
| 181 | T | 98.5 | Very high | 98.4 | Very high | 78 Ų | 78 | 62.1 Ų | 62.1 | 48% | 0.479 | 32% | 0.316 | S | S | . | . | trans | -70.5 | 149 | 173.4 | 62.9 | 0 | 0 | 0 | 0 | 111.1 | R183 Q184 I185 | T181-R183 PolarHBondContact O-N 3.1Å; T181-Q184 WeakPolarHBondContact O-CA 3.44Å; T181-Q184 WeakPolarHBondContact O-CB 3.21Å; T181-Q184 PolarHBondContact O-N 3.32Å; T181-Q184 VanDerWaalsContact OG1-CG 3.26Å; T181-Q184 WeakPolarHBondContact OG1-CG 3.34Å; T181-Q184 PolarHBondContact OG1-N 3.37Å; T181-Q184 PolarHBondContact OG1-OE1 2.8Å; T181-I185 PolarHBondContact O-N 2.78Å | ||
| 182 | E | 98.5 | Very high | 98.4 | Very high | 61 Ų | 61 | 61.4 Ų | 61.4 | 29% | 0.285 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -51 | -35.2 | 172.6 | -71.4 | -160.9 | -132 | 0 | 0 | 113.5 | R168 R171 A175 I185 K186 | R168-E182 IonicContact CZ-OE1 3.25Å; R168-E182 VanDerWaalsContact CZ-OE1 3.23Å; R168-E182 IonicContact CZ-OE2 3.28Å; R168-E182 IonicContact NE-OE2 2.92Å; R168-E182 IonicContact NH1-OE1 2.66Å; R168-E182 PolarHBondContact NH1-OE1 2.97Å; R168-E182 IonicContact NH1-OE2 3.78Å; R168-E182 PolarHBondContact NH1-OE2 2.77Å; R168-E182 IonicContact NH2-OE1 3.23Å; R168-E182 PolarHBondContact NH2-OE1 2.92Å; R168-E182 IonicContact NH2-OE2 2.77Å; R168-E182 PolarHBondContact NH2-OE2 3.15Å; R171-E182 WeakPolarHBondContact CD-OE2 3.34Å; R171-E182 HydrophobicContact CG-CB 4.5Å; R171-E182 IonicContact NE-OE2 3.03Å; A175-E182 HydrophobicContact CB-CG 4.2Å; E182-I185 PolarHBondContact O-N 3.34Å; E182-K186 WeakPolarHBondContact O-CB 3.47Å; E182-K186 PolarHBondContact O-N 2.7Å |
| 183 | R | 98.1 | Very high | 98.4 | Very high | 183 Ų | 183 | 62.3 Ų | 62.3 | 69% | 0.691 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64.6 | -43.8 | 175.9 | -176 | 179.3 | -175.1 | -88.6 | -1.3 | 111.4 | T181 K186 I187 | T181-R183 PolarHBondContact O-N 3.1Å; R183-K186 PolarHBondContact O-N 2.84Å; R183-I187 HydrophobicContact CG-CD1 3.92Å; R183-I187 VanDerWaalsContact O-CG1 3.3Å; R183-I187 WeakPolarHBondContact O-CG1 3.16Å; R183-I187 PolarHBondContact O-N 2.75Å |
| 184 | Q | 98.3 | Very high | 98.4 | Very high | 54 Ų | 54 | 64.6 Ų | 64.6 | 25% | 0.252 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 176 | -76.2 | 163.9 | -50.7 | 0 | 0 | 111 | L180 T181 K186 I187 W188 | L180-Q184 HydrophobicContact CB-CB 4.4Å; T181-Q184 WeakPolarHBondContact O-CA 3.44Å; T181-Q184 WeakPolarHBondContact O-CB 3.21Å; T181-Q184 PolarHBondContact O-N 3.32Å; T181-Q184 VanDerWaalsContact OG1-CG 3.26Å; T181-Q184 WeakPolarHBondContact OG1-CG 3.34Å; T181-Q184 PolarHBondContact OG1-N 3.37Å; T181-Q184 PolarHBondContact OG1-OE1 2.8Å; Q184-K186 VanDerWaalsContact C-N 3.34Å; Q184-K186 PolarHBondContact O-N 3.22Å; Q184-I187 PolarHBondContact O-N 3.36Å; Q184-W188 WeakPolarHBondContact O-CB 3.39Å; Q184-W188 PolarHBondContact O-N 3.4Å |
| 185 | I | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.9 | -47.2 | 174.3 | -56.1 | -59 | 0 | 0 | 0 | 110.6 | L156 L166 R171 I174 A175 L180 T181 E182 I187 W188 F189 | L156-I185 HydrophobicContact CD2-CD1 3.76Å; L166-I185 HydrophobicContact CD1-CG2 3.52Å; R171-I185 HydrophobicContact CG-CB 4.16Å; R171-I185 HydrophobicContact CG-CG2 3.92Å; I174-I185 HydrophobicContact CG2-CD1 3.93Å; A175-I185 HydrophobicContact CB-CG1 4.03Å; L180-I185 HydrophobicContact CB-CD1 3.91Å; L180-I185 HydrophobicContact CB-CG1 4.42Å; L180-I185 HydrophobicContact CD1-CD1 3.93Å; T181-I185 PolarHBondContact O-N 2.78Å; E182-I185 PolarHBondContact O-N 3.34Å; I185-I187 PolarHBondContact O-N 2.89Å; I185-W188 PolarHBondContact O-N 2.81Å; I185-F189 HydrophobicContact CG2-CD2 4.07Å; I185-F189 HydrophobicContact CG2-CE2 4.26Å; I185-F189 WeakPolarHBondContact O-CD2 3.37Å; I185-F189 PolarHBondContact O-N 3.45Å |
| 186 | K | 98.4 | Very high | 98.2 | Very high | 126 Ų | 126 | 75.4 Ų | 75.4 | 55% | 0.548 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.2 | -47.6 | 177.5 | -178.8 | -178.8 | 175.1 | -179.3 | 0 | 112.1 | E182 R183 Q184 Q190 | E182-K186 WeakPolarHBondContact O-CB 3.47Å; E182-K186 PolarHBondContact O-N 2.7Å; R183-K186 PolarHBondContact O-N 2.84Å; Q184-K186 VanDerWaalsContact C-N 3.34Å; Q184-K186 PolarHBondContact O-N 3.22Å; K186-Q190 WeakPolarHBondContact O-CB 3.26Å; K186-Q190 PolarHBondContact O-N 2.86Å |
| 187 | I | 98.4 | Very high | 98.1 | Very high | 54 Ų | 54 | 75 Ų | 75 | 28% | 0.277 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 179.4 | -70.8 | 168.3 | 0 | 0 | 0 | 110.4 | R183 Q184 I185 Q190 N191 | R183-I187 HydrophobicContact CG-CD1 3.92Å; R183-I187 VanDerWaalsContact O-CG1 3.3Å; R183-I187 WeakPolarHBondContact O-CG1 3.16Å; R183-I187 PolarHBondContact O-N 2.75Å; Q184-I187 PolarHBondContact O-N 3.36Å; I185-I187 PolarHBondContact O-N 2.89Å; I187-Q190 PolarHBondContact O-N 3.25Å; I187-N191 VanDerWaalsContact O-CG 3.26Å; I187-N191 PolarHBondContact O-N 3.03Å; I187-N191 PolarHBondContact O-ND2 2.9Å |
| 188 | W | 98.5 | Very high | 97.9 | Very high | 32 Ų | 32 | 78.9 Ų | 78.9 | 12% | 0.121 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.1 | -47.7 | 178.8 | -169.1 | 101 | 0 | 0 | 0 | 111.3 | Y148 L156 E157 F160 Q184 I185 Q190 N191 R192 | Y148-W188 AromaticContact CD2-CD1 3.87Å; Y148-W188 AromaticContact CE2-CD1 3.65Å; L156-W188 VanDerWaalsContact C-CH2 3.47Å; L156-W188 HydrophobicContact CB-CD2 3.89Å; L156-W188 HydrophobicContact CB-CE3 3.91Å; L156-W188 HydrophobicContact CB-CH2 3.61Å; L156-W188 HydrophobicContact CB-CZ2 3.56Å; L156-W188 HydrophobicContact CB-CZ3 3.77Å; L156-W188 HydrophobicContact CD1-CD2 3.85Å; L156-W188 HydrophobicContact CD1-CG 3.81Å; L156-W188 HydrophobicContact CD1-CZ2 4.5Å; L156-W188 HydrophobicContact CD2-CD2 4.33Å; L156-W188 HydrophobicContact CD2-CE3 4.26Å; L156-W188 HydrophobicContact CG-CD2 4.25Å; L156-W188 HydrophobicContact CG-CE3 4.47Å; L156-W188 WeakPolarHBondContact O-CH2 3.48Å; L156-W188 WeakPolarHBondContact O-CZ3 3.47Å; E157-W188 HydrophobicContact CG-CH2 3.93Å; E157-W188 HydrophobicContact CG-CZ2 3.99Å; F160-W188 HydrophobicContact CB-CH2 4.35Å; F160-W188 HydrophobicContact CB-CZ3 4.06Å; Q184-W188 WeakPolarHBondContact O-CB 3.39Å; Q184-W188 PolarHBondContact O-N 3.4Å; I185-W188 PolarHBondContact O-N 2.81Å; W188-Q190 VanDerWaalsContact C-N 3.3Å; W188-Q190 PolarHBondContact O-N 3.46Å; W188-N191 PolarHBondContact O-N 3.36Å; W188-R192 HydrophobicContact CE3-CB 3.93Å; W188-R192 HydrophobicContact CH2-CB 4.02Å; W188-R192 HydrophobicContact CH2-CG 3.79Å; W188-R192 HydrophobicContact CZ3-CB 3.66Å; W188-R192 HydrophobicContact CZ3-CG 3.74Å; W188-R192 WeakPolarHBondContact O-CB 3.38Å; W188-R192 PolarHBondContact O-N 3.06Å |
| 189 | F | 98.8 | Very high | 97.6 | Very high | 8 Ų | 8 | 82.2 Ų | 82.2 | 4% | 0.035 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.5 | -32.4 | 176.9 | -91 | -103.7 | 0 | 0 | 0 | 113 | L156 E159 F160 L166 I185 R193 | L156-F189 HydrophobicContact CD2-CE2 4.07Å; E159-F189 HydrophobicContact CB-CZ 4.06Å; F160-F189 HydrophobicContact CB-CE1 4.23Å; F160-F189 HydrophobicContact CB-CZ 4.35Å; F160-F189 AromaticContact CD2-CD1 3.99Å; F160-F189 HydrophobicContact CD2-CD1 3.99Å; F160-F189 AromaticContact CD2-CE1 3.92Å; F160-F189 HydrophobicContact CD2-CE1 3.92Å; L166-F189 HydrophobicContact CD1-CD1 4.13Å; L166-F189 HydrophobicContact CD1-CD2 3.63Å; L166-F189 HydrophobicContact CD1-CE1 3.94Å; L166-F189 HydrophobicContact CD1-CE2 3.44Å; L166-F189 VanDerWaalsContact CD1-CE2 3.44Å; L166-F189 HydrophobicContact CD1-CG 3.99Å; L166-F189 HydrophobicContact CD1-CZ 3.6Å; L166-F189 HydrophobicContact CD2-CD1 4.5Å; L166-F189 HydrophobicContact CD2-CE1 3.74Å; L166-F189 HydrophobicContact CD2-CE2 4.41Å; L166-F189 HydrophobicContact CD2-CZ 3.7Å; L166-F189 HydrophobicContact CG-CD1 3.8Å; L166-F189 HydrophobicContact CG-CD2 4.23Å; L166-F189 HydrophobicContact CG-CE1 3.52Å; L166-F189 HydrophobicContact CG-CE2 4.01Å; L166-F189 HydrophobicContact CG-CG 4.15Å; L166-F189 HydrophobicContact CG-CZ 3.65Å; I185-F189 HydrophobicContact CG2-CD2 4.07Å; I185-F189 HydrophobicContact CG2-CE2 4.26Å; I185-F189 WeakPolarHBondContact O-CD2 3.37Å; I185-F189 PolarHBondContact O-N 3.45Å; F189-R193 WeakPolarHBondContact O-CG 3.47Å; F189-R193 PolarHBondContact O-N 3.38Å; F189-R193 VanDerWaalsContact O-N 3.1Å; F189-R193 PolarHBondContact O-NE 3.39Å |
| 190 | Q | 98.6 | Very high | 97 | Very high | 102 Ų | 102 | 78.4 Ų | 78.4 | 48% | 0.477 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66 | -49.9 | 172.6 | -172.9 | 169.9 | 16.3 | 0 | 0 | 111.1 | K186 I187 W188 R192 R193 M194 | K186-Q190 WeakPolarHBondContact O-CB 3.26Å; K186-Q190 PolarHBondContact O-N 2.86Å; I187-Q190 PolarHBondContact O-N 3.25Å; W188-Q190 VanDerWaalsContact C-N 3.3Å; W188-Q190 PolarHBondContact O-N 3.46Å; Q190-R192 VanDerWaalsContact C-N 3.32Å; Q190-R192 PolarHBondContact O-N 3.04Å; Q190-R193 PolarHBondContact O-N 3.45Å; Q190-M194 WeakPolarHBondContact O-CG 3.45Å; Q190-M194 PolarHBondContact O-N 2.88Å; Q190-M194 VanDerWaalsContact O-N 3.12Å |
| 191 | N | 98.3 | Very high | 95.8 | Very high | 89 Ų | 89 | 82.7 Ų | 82.7 | 48% | 0.476 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 177.4 | -68.1 | -20.9 | 0 | 0 | 0 | 111.6 | I187 W188 M194 K195 | I187-N191 VanDerWaalsContact O-CG 3.26Å; I187-N191 PolarHBondContact O-N 3.03Å; I187-N191 PolarHBondContact O-ND2 2.9Å; W188-N191 PolarHBondContact O-N 3.36Å; N191-M194 PolarHBondContact O-N 2.85Å; N191-K195 PolarHBondContact O-N 2.7Å |
| 192 | R | 98.4 | Very high | 94.5 | Very high | 35 Ų | 35 | 83.9 Ų | 83.9 | 13% | 0.132 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.9 | -42.1 | -179.8 | -177.1 | 61.3 | -171.3 | 116.8 | -11.6 | 112.1 | F160 W188 Q190 K195 W196 E199 | F160-R192 HydrophobicContact CB-CG 4.38Å; F160-R192 HydrophobicContact CD1-CG 3.65Å; F160-R192 HydrophobicContact CD2-CB 4.3Å; F160-R192 HydrophobicContact CD2-CG 3.66Å; F160-R192 HydrophobicContact CE1-CG 3.73Å; F160-R192 HydrophobicContact CE2-CB 4.32Å; F160-R192 HydrophobicContact CE2-CG 3.76Å; F160-R192 HydrophobicContact CG-CG 3.61Å; F160-R192 HydrophobicContact CZ-CG 3.79Å; W188-R192 HydrophobicContact CE3-CB 3.93Å; W188-R192 HydrophobicContact CH2-CB 4.02Å; W188-R192 HydrophobicContact CH2-CG 3.79Å; W188-R192 HydrophobicContact CZ3-CB 3.66Å; W188-R192 HydrophobicContact CZ3-CG 3.74Å; W188-R192 WeakPolarHBondContact O-CB 3.38Å; W188-R192 PolarHBondContact O-N 3.06Å; Q190-R192 VanDerWaalsContact C-N 3.32Å; Q190-R192 PolarHBondContact O-N 3.04Å; R192-K195 PolarHBondContact O-N 2.86Å; R192-W196 WeakPolarHBondContact O-CB 3.49Å; R192-W196 PolarHBondContact O-N 2.83Å; R192-E199 IonicContact CZ-OE2 2.79Å; R192-E199 IonicContact NH1-OE2 3.76Å; R192-E199 PolarHBondContact NH1-OE2 2.97Å; R192-E199 IonicContact NH2-OE2 3.58Å |
| 193 | R | 98.2 | Very high | 92.8 | Very high | 81 Ų | 81 | 84.4 Ų | 84.4 | 31% | 0.306 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 173.9 | -75.3 | -176.3 | -66.6 | 158.3 | 1 | 112.4 | F160 R164 Y165 F189 Q190 K195 W196 K197 | F160-R193 HydrophobicContact CE2-CG 3.74Å; F160-R193 HydrophobicContact CZ-CG 4.24Å; R164-R193 WeakPolarHBondContact O-CD 3.45Å; Y165-R193 VanDerWaalsContact CD1-NH1 3.32Å; F189-R193 WeakPolarHBondContact O-CG 3.47Å; F189-R193 PolarHBondContact O-N 3.38Å; F189-R193 VanDerWaalsContact O-N 3.1Å; F189-R193 PolarHBondContact O-NE 3.39Å; Q190-R193 PolarHBondContact O-N 3.45Å; R193-K195 VanDerWaalsContact C-N 3.35Å; R193-W196 PolarHBondContact O-N 3.23Å; R193-K197 WeakPolarHBondContact O-CB 3.47Å; R193-K197 PolarHBondContact O-N 3.48Å |
| 194 | M | 98.1 | Very high | 90.9 | Very high | 112 Ų | 112 | 79.9 Ų | 79.9 | 55% | 0.552 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63 | -42.6 | 176 | -65.5 | -59.9 | -80.5 | 0 | 0 | 111.7 | Q190 N191 K197 K198 | Q190-M194 WeakPolarHBondContact O-CG 3.45Å; Q190-M194 PolarHBondContact O-N 2.88Å; Q190-M194 VanDerWaalsContact O-N 3.12Å; N191-M194 PolarHBondContact O-N 2.85Å; M194-K197 PolarHBondContact O-N 3.28Å; M194-K198 PolarHBondContact O-N 2.82Å; M194-K198 VanDerWaalsContact O-N 3.13Å |
| 195 | K | 96.8 | Very high | 88.9 | Confident | 120 Ų | 120 | 82.8 Ų | 82.8 | 52% | 0.522 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63 | -47.7 | 175 | 179.8 | 172.2 | 171.8 | -179.4 | 0 | 111.6 | N191 R192 R193 K197 K198 E199 | N191-K195 PolarHBondContact O-N 2.7Å; R192-K195 PolarHBondContact O-N 2.86Å; R193-K195 VanDerWaalsContact C-N 3.35Å; K195-K197 VanDerWaalsContact C-N 3.34Å; K195-K197 PolarHBondContact O-N 3.4Å; K195-K198 WeakPolarHBondContact O-CB 3.43Å; K195-K198 PolarHBondContact O-N 2.92Å; K195-E199 WeakPolarHBondContact CE-OE1 3.15Å; K195-E199 HydrophobicContact CG-CG 4.36Å; K195-E199 WeakPolarHBondContact CG-OE1 3.3Å; K195-E199 IonicContact NZ-OE1 2.67Å; K195-E199 VanDerWaalsContact O-CG 3.3Å; K195-E199 WeakPolarHBondContact O-CG 3.47Å; K195-E199 PolarHBondContact O-N 3.13Å |
| 196 | W | 96.3 | Very high | 87 | Confident | 121 Ų | 121 | 88.4 Ų | 88.4 | 46% | 0.458 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -57.8 | -44.5 | 177.2 | 176.4 | 75.3 | 0 | 0 | 0 | 112.2 | F160 R192 R193 K198 E199 S200 | F160-W196 HydrophobicContact CE1-CB 4.3Å; F160-W196 HydrophobicContact CE1-CG 4.37Å; F160-W196 HydrophobicContact CZ-CB 4.12Å; F160-W196 HydrophobicContact CZ-CG 4.32Å; R192-W196 WeakPolarHBondContact O-CB 3.49Å; R192-W196 PolarHBondContact O-N 2.83Å; R193-W196 PolarHBondContact O-N 3.23Å; W196-K198 VanDerWaalsContact C-N 3.28Å; W196-K198 PolarHBondContact O-N 3.32Å; W196-E199 PolarHBondContact O-N 3.18Å; W196-S200 WeakPolarHBondContact O-CB 3.41Å; W196-S200 PolarHBondContact O-N 3.14Å; W196-S200 PolarHBondContact O-OG 3.29Å |
| 197 | K | 95.8 | Very high | 84.9 | Confident | 111 Ų | 111 | 86.8 Ų | 86.8 | 48% | 0.483 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.8 | -36.6 | 175.1 | -174 | -177.3 | 69.3 | 168.8 | 0 | 112.3 | R193 M194 K195 S200 N201 | R193-K197 WeakPolarHBondContact O-CB 3.47Å; R193-K197 PolarHBondContact O-N 3.48Å; M194-K197 PolarHBondContact O-N 3.28Å; K195-K197 VanDerWaalsContact C-N 3.34Å; K195-K197 PolarHBondContact O-N 3.4Å; K197-S200 PolarHBondContact O-OG 3.15Å; K197-N201 PolarHBondContact O-ND2 2.77Å |
| 198 | K | 94.9 | Very high | 82.4 | Confident | 149 Ų | 149 | 87.4 Ų | 87.4 | 65% | 0.648 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -70.3 | -43.3 | 177.3 | -171.7 | 177.9 | -180 | -178.5 | 0 | 111 | M194 K195 W196 N201 L202 | M194-K198 PolarHBondContact O-N 2.82Å; M194-K198 VanDerWaalsContact O-N 3.13Å; K195-K198 WeakPolarHBondContact O-CB 3.43Å; K195-K198 PolarHBondContact O-N 2.92Å; W196-K198 VanDerWaalsContact C-N 3.28Å; W196-K198 PolarHBondContact O-N 3.32Å; K198-N201 PolarHBondContact O-N 3.04Å; K198-L202 HydrophobicContact CG-CD1 4.17Å; K198-L202 WeakPolarHBondContact O-CD1 3.48Å; K198-L202 WeakPolarHBondContact O-CG 3.32Å; K198-L202 PolarHBondContact O-N 3.27Å |
| 199 | E | 91.9 | Very high | 79.8 | Confident | 78 Ų | 78 | 90.9 Ų | 90.9 | 36% | 0.364 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.6 | -39.7 | 179.6 | -68.3 | 166.2 | 166.8 | 0 | 0 | 112.2 | R192 K195 W196 N201 L202 T203 | R192-E199 IonicContact CZ-OE2 2.79Å; R192-E199 IonicContact NH1-OE2 3.76Å; R192-E199 PolarHBondContact NH1-OE2 2.97Å; R192-E199 IonicContact NH2-OE2 3.58Å; K195-E199 WeakPolarHBondContact CE-OE1 3.15Å; K195-E199 HydrophobicContact CG-CG 4.36Å; K195-E199 WeakPolarHBondContact CG-OE1 3.3Å; K195-E199 IonicContact NZ-OE1 2.67Å; K195-E199 VanDerWaalsContact O-CG 3.3Å; K195-E199 WeakPolarHBondContact O-CG 3.47Å; K195-E199 PolarHBondContact O-N 3.13Å; W196-E199 PolarHBondContact O-N 3.18Å; E199-N201 VanDerWaalsContact C-N 3.31Å; E199-N201 PolarHBondContact O-N 3.39Å; E199-L202 PolarHBondContact O-N 3.11Å; E199-T203 PolarHBondContact O-N 3.09Å; E199-T203 VanDerWaalsContact O-N 3.14Å |
| 200 | S | 85.6 | Confident | 77.1 | Confident | 36 Ų | 36 | 98.6 Ų | 98.6 | 25% | 0.252 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.2 | -32.2 | 179.3 | 66.3 | 0 | 0 | 0 | 0 | 113.2 | W196 K197 T203 S204 | W196-S200 WeakPolarHBondContact O-CB 3.41Å; W196-S200 PolarHBondContact O-N 3.14Å; W196-S200 PolarHBondContact O-OG 3.29Å; K197-S200 PolarHBondContact O-OG 3.15Å; S200-T203 WeakPolarHBondContact O-CG2 3.46Å; S200-S204 PolarHBondContact O-OG 2.83Å |
| 201 | N | 73.2 | Confident | 74.4 | Confident | 106 Ų | 106 | 102.2 Ų | 102.2 | 57% | 0.567 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -77.1 | -26.4 | 178.2 | -71.8 | -50 | 0 | 0 | 0 | 112.8 | K197 K198 E199 | K197-N201 PolarHBondContact O-ND2 2.77Å; K198-N201 PolarHBondContact O-N 3.04Å; E199-N201 VanDerWaalsContact C-N 3.31Å; E199-N201 PolarHBondContact O-N 3.39Å |
| 202 | L | 71.9 | Confident | 71.6 | Confident | 104 Ų | 104 | 104.8 Ų | 104.8 | 55% | 0.545 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -83.3 | -30.7 | -179.7 | -67.5 | 163.4 | 0 | 0 | 0 | 112.1 | K198 E199 T205 | K198-L202 HydrophobicContact CG-CD1 4.17Å; K198-L202 WeakPolarHBondContact O-CD1 3.48Å; K198-L202 WeakPolarHBondContact O-CG 3.32Å; K198-L202 PolarHBondContact O-N 3.27Å; E199-L202 PolarHBondContact O-N 3.11Å; L202-T205 PolarHBondContact O-OG1 3.33Å |
| 203 | T | 61.1 | Low | 68.6 | Low | 71 Ų | 71 | 107 Ų | 107 | 44% | 0.436 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -72.5 | -34.1 | 176.4 | -166.6 | 0 | 0 | 0 | 0 | 112.3 | E199 S200 T205 V206 T207 | E199-T203 PolarHBondContact O-N 3.09Å; E199-T203 VanDerWaalsContact O-N 3.14Å; S200-T203 WeakPolarHBondContact O-CG2 3.46Å; T203-T205 PolarHBondContact O-N 3.22Å; T203-T205 VanDerWaalsContact O-N 3.1Å; T203-V206 PolarHBondContact O-N 2.92Å; T203-V206 VanDerWaalsContact O-N 3.08Å; T203-T207 PolarHBondContact O-N 3.16Å; T203-T207 PolarHBondContact O-OG1 3.02Å |
| 204 | S | 58 | Low | 65.6 | Low | 89 Ų | 89 | 108.1 Ų | 108.1 | 62% | 0.622 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -20.9 | 178.6 | -59.3 | 0 | 0 | 0 | 0 | 113.9 | S200 | S200-S204 PolarHBondContact O-OG 2.83Š|
| 205 | T | 57.6 | Low | 62.8 | Low | 114 Ų | 114 | 107.5 Ų | 107.5 | 70% | 0.699 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -11.4 | 178 | 56.8 | 0 | 0 | 0 | 0 | 113.9 | L202 T203 | L202-T205 PolarHBondContact O-OG1 3.33Å; T203-T205 PolarHBondContact O-N 3.22Å; T203-T205 VanDerWaalsContact O-N 3.1Å |
| 206 | V | 58.3 | Low | 60 | Low | 118 Ų | 118 | 111 Ų | 111 | 72% | 0.715 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | -26.6 | -176.5 | 176.1 | 0 | 0 | 0 | 0 | 112.2 | T203 | T203-V206 PolarHBondContact O-N 2.92Å; T203-V206 VanDerWaalsContact O-N 3.08Å |
| 207 | T | 53.9 | Low | 57.4 | Low | 92 Ų | 92 | 114.5 Ų | 114.5 | 56% | 0.564 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -104.9 | 34 | -178.4 | 63.3 | 0 | 0 | 0 | 0 | 112.9 | T203 S209 | T203-T207 PolarHBondContact O-N 3.16Å; T203-T207 PolarHBondContact O-OG1 3.02Å; T207-S209 VanDerWaalsContact C-N 3.27Å; T207-S209 PolarHBondContact O-N 3.06Å |
| 208 | G | 45.8 | Very low | 54.8 | Low | 68 Ų | 68 | 117.5 Ų | 117.5 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -84.1 | 10.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 209 | S | 44.1 | Very low | 52.3 | Low | 104 Ų | 104 | 117.4 Ų | 117.4 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -144.7 | 31.7 | -171.1 | -47.9 | 0 | 0 | 0 | 0 | 115 | T207 | T207-S209 VanDerWaalsContact C-N 3.27Å; T207-S209 PolarHBondContact O-N 3.06Å |
| 210 | E | 43.3 | Very low | 50 | Low | 171 Ų | 171 | 123.9 Ų | 123.9 | 80% | 0.799 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -167.7 | 125.6 | 157.3 | -109.3 | 153.2 | -165.2 | 0 | 0 | 112.6 | ||
| 211 | Q | 42 | Very low | 47.8 | Very low | 177 Ų | 177 | 127.6 Ų | 127.6 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | trans | 90.2 | 87.3 | 156.9 | -60.7 | 175.5 | 35.4 | 0 | 0 | 119 | ||||
| 212 | T | 38.3 | Very low | 46 | Very low | 143 Ų | 143 | 125.8 Ų | 125.8 | 88% | 0.877 | 75% | 0.746 | S | S | * | * | trans | -45.8 | 135.8 | 136.8 | 47.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 213 | G | 35.9 | Very low | 44.4 | Very low | 82 Ų | 82 | 125.7 Ų | 125.7 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | trans | 82.4 | 96.6 | 136.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 214 | A | 35.9 | Very low | 43.7 | Very low | 104 Ų | 104 | 127.1 Ų | 127.1 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -142.4 | 116.5 | 142.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 215 | A | 38.1 | Very low | 43 | Very low | 100 Ų | 100 | 128.6 Ų | 128.6 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -66.5 | 141.7 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 216 | Q | 38.9 | Very low | 42.3 | Very low | 194 Ų | 194 | 131 Ų | 131 | 91% | 0.907 | 78% | 0.781 | S | S | * | * | trans | -90.9 | 118.6 | 149.1 | -73.2 | -178.6 | -50.6 | 0 | 0 | 106.9 | ||||
| 217 | E | 41.7 | Very low | 41.7 | Very low | 193 Ų | 193 | 132.9 Ų | 132.9 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | -162.2 | 103.8 | 154.3 | -111.8 | 170.8 | -153.2 | 0 | 0 | 108 | ||||
| 218 | E | 41.1 | Very low | 41 | Very low | 174 Ų | 174 | 131.5 Ų | 131.5 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -145 | 134.5 | 153.3 | -126.5 | -162.5 | -156.8 | 0 | 0 | 109.9 | ||||
| 219 | E | 41.1 | Very low | 41 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | 75.1 | 124.1 | 159.5 | -64.4 | -65.6 | 145.3 | 0 | 0 | 116.8 | ||||
| 220 | R | 43.3 | Very low | 41.3 | Very low | 213 Ų | 213 | 138.9 Ų | 138.9 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | cis | -173.4 | 129.4 | 30.7 | -171.8 | 163.6 | 173.4 | -123.1 | 0.3 | 110.7 | ||||
| 221 | S | 40.2 | Very low | 42.3 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -93.4 | 136.8 | 162.5 | 71.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 222 | G | 35.7 | Very low | 42.9 | Very low | 67 Ų | 67 | 140.2 Ų | 140.2 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | trans | 78.8 | 113.6 | 147.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 223 | S | 38.7 | Very low | 43.4 | Very low | 103 Ų | 103 | 141.9 Ų | 141.9 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | -180 | 108.5 | 121.1 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 224 | A | 44.9 | Very low | 44.1 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -87.3 | 117.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 225 | V | 43.8 | Very low | 45 | Very low | 120 Ų | 120 | 148.4 Ų | 148.4 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -153.9 | 118.7 | 160.8 | 175.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 226 | E | 44.3 | Very low | 45.5 | Very low | 165 Ų | 165 | 155.7 Ų | 155.7 | 77% | 0.771 | 80% | 0.797 | S | S | * | * | trans | 48.2 | 114.4 | 146.5 | -76.5 | -78.6 | 164.6 | 0 | 0 | 121 | G228 | E226-G228 PolarHBondContact OE2-N 3.26Š| ||
| 227 | E | 44 | Very low | 45.8 | Very low | 157 Ų | 157 | 153.8 Ų | 153.8 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -136.6 | 82.6 | 141 | -152.4 | -172.7 | 178.4 | 0 | 0 | 109.4 | K229 | E227-K229 PolarHBondContact O-N 3.45Å; E227-K229 VanDerWaalsContact OE1-CE 3.27Å; E227-K229 WeakPolarHBondContact OE1-CE 3.34Å; E227-K229 IonicContact OE1-NZ 3.91Å; E227-K229 PolarHBondContact OE1-NZ 3.31Å; E227-K229 IonicContact OE2-NZ 3Å | ||
| 228 | G | 40.2 | Very low | 46 | Very low | 63 Ų | 63 | 151.7 Ų | 151.7 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | trans | -65.7 | 117.9 | 159.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | E226 | E226-G228 PolarHBondContact OE2-N 3.26Š| ||
| 229 | K | 46.3 | Very low | 46.3 | Very low | 165 Ų | 165 | 150.4 Ų | 150.4 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | trans | -116.3 | 97.2 | 159.2 | -80.4 | 178.1 | 179.3 | 132.9 | 0 | 107.6 | E227 | E227-K229 PolarHBondContact O-N 3.45Å; E227-K229 VanDerWaalsContact OE1-CE 3.27Å; E227-K229 WeakPolarHBondContact OE1-CE 3.34Å; E227-K229 IonicContact OE1-NZ 3.91Å; E227-K229 PolarHBondContact OE1-NZ 3.31Å; E227-K229 IonicContact OE2-NZ 3Å | ||
| 230 | D | 50.6 | Low | 46.6 | Very low | 162 Ų | 162 | 150.6 Ų | 150.6 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | -135 | 114.4 | 152.3 | -147 | -17.4 | 0 | 0 | 0 | 108.3 | H232 | D230-H232 PolarHBondContact O-N 3.2Š| ||
| 231 | E | 63.4 | Low | 46.8 | Very low | 192 Ų | 192 | 146.7 Ų | 146.7 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | trans | -74.2 | 118.3 | -174.3 | -69.1 | -178.6 | 146.9 | 0 | 0 | 109.1 | ||||
| 232 | H | 53.9 | Low | 47.3 | Very low | 184 Ų | 184 | 148.8 Ų | 148.8 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | trans | -108.4 | 132.7 | 164.9 | -153.9 | 5 | 0 | 0 | 0 | 109.6 | D230 | D230-H232 PolarHBondContact O-N 3.2Š| ||
| 233 | K | 49.5 | Very low | 48.1 | Very low | 178 Ų | 178 | 154.6 Ų | 154.6 | 77% | 0.774 | 80% | 0.795 | S | S | * | * | trans | 122.1 | 133.2 | 139.2 | -161.6 | 176.2 | -168.7 | 171.2 | 0 | 111.7 | ||||
| 234 | K | 51.4 | Low | 48.8 | Very low | 156 Ų | 156 | 158.6 Ų | 158.6 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | cis | 166.5 | 167.2 | -1.4 | -176 | -176.3 | 176.1 | 170.3 | 0 | 104.2 | ||||
| 235 | K | 54.8 | Low | 49.1 | Very low | 167 Ų | 167 | 163.4 Ų | 163.4 | 73% | 0.726 | 80% | 0.798 | S | S | * | * | trans | 85.4 | 133.4 | 158.3 | -60.4 | -168.3 | 175.5 | -171.7 | 0 | 113 | ||||
| 236 | E | 47.6 | Very low | 49.6 | Very low | 252 Ų | 252 | 167.4 Ų | 167.4 | 100% | 1.178 | 80% | 0.804 | S | S | * | * | cis | -165 | 0 | 13.3 | 174.6 | 168.7 | 163 | 0 | 0 | 107.1 |
Retrieved 236 of 236 residues in 234.2 ms
(Link to these results)