| 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 | 38.5 | Very low | 44.8 | Very low | 249 Ų | 249 | 136.8 Ų | 136.8 | 100% | 1.227 | 82% | 0.822 | S | S | * | * | 0 | 136.4 | 0 | -60.3 | -163 | 178.3 | 0 | 0 | 106.9 | |||||
| 2 | A | 41.4 | Very low | 45.1 | Very low | 98 Ų | 98 | 135.3 Ų | 135.3 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | cis | -163.3 | 150.9 | -19.8 | 0 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 3 | V | 45 | Very low | 45.1 | Very low | 135 Ų | 135 | 143.5 Ų | 143.5 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -69.3 | 145.2 | 173.7 | -67.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 4 | D | 38.5 | Very low | 44.8 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 77% | 0.77 | 83% | 0.829 | S | S | * | * | trans | 178.1 | 114.8 | 134.8 | -127.1 | -102.1 | 0 | 0 | 0 | 107.3 | ||||
| 5 | A | 40.7 | Very low | 45.2 | Very low | 82 Ų | 82 | 137.3 Ų | 137.3 | 68% | 0.678 | 82% | 0.816 | S | S | * | * | 74.6 | 134.1 | 57.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 6 | A | 44.5 | Very low | 45.3 | Very low | 87 Ų | 87 | 139.4 Ų | 139.4 | 72% | 0.719 | 82% | 0.821 | S | S | * | * | trans | 64.3 | 91.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | S8 | A6-S8 PolarHBondContact O-N 2.63Å; A6-S8 VanDerWaalsContact O-N 3.1Å | ||
| 7 | S | 44.7 | Very low | 45.5 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | trans | -60.1 | 106 | 143.5 | 177.5 | 0 | 0 | 0 | 0 | 108.3 | F9 | S7-F9 PolarHBondContact O-N 3.38Š| ||
| 8 | S | 55.9 | Low | 45.7 | Very low | 103 Ų | 103 | 142.3 Ų | 142.3 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | trans | -83.4 | 100.2 | 177.6 | 46.1 | 0 | 0 | 0 | 0 | 109.9 | A6 | A6-S8 PolarHBondContact O-N 2.63Å; A6-S8 VanDerWaalsContact O-N 3.1Å | ||
| 9 | F | 39.7 | Very low | 45.9 | Very low | 185 Ų | 185 | 142.3 Ų | 142.3 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | trans | -97.5 | 88.8 | 161.3 | -145 | -93.8 | 0 | 0 | 0 | 108.3 | S7 F11 | S7-F9 PolarHBondContact O-N 3.38Å; F9-F11 VanDerWaalsContact C-N 3.32Å; F9-F11 HydrophobicContact CD1-CB 4.16Å; F9-F11 HydrophobicContact CE1-CB 4.34Å; F9-F11 PolarHBondContact O-N 3.42Å | ||
| 10 | S | 56.2 | Low | 45.7 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -77.1 | 81.2 | 173.5 | 39.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 11 | F | 47.4 | Very low | 45.7 | Very low | 178 Ų | 178 | 137.4 Ų | 137.4 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | -106.6 | 83.7 | 163.8 | -168 | -95.7 | 0 | 0 | 0 | 109.4 | F9 | F9-F11 VanDerWaalsContact C-N 3.32Å; F9-F11 HydrophobicContact CD1-CB 4.16Å; F9-F11 HydrophobicContact CE1-CB 4.34Å; F9-F11 PolarHBondContact O-N 3.42Å | ||
| 12 | C | 49.2 | Very low | 46 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 179.1 | 106.2 | 153.1 | -93.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 13 | R | 44.1 | Very low | 46.5 | Very low | 242 Ų | 242 | 133.4 Ų | 133.4 | 91% | 0.913 | 78% | 0.776 | S | S | * | * | trans | -171.2 | 83.7 | 139.6 | -120.8 | 179.6 | 172.8 | 171.1 | -2.4 | 111.2 | ||||
| 14 | A | 41.4 | Very low | 46.5 | Very low | 102 Ų | 102 | 134.5 Ų | 134.5 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | trans | -105.1 | 110.8 | 141.7 | 0 | 0 | 0 | 0 | 0 | 105.4 | L16 | A14-L16 PolarHBondContact O-N 3.39Š| ||
| 15 | S | 51.5 | Low | 46.6 | Very low | 91 Ų | 91 | 136.3 Ų | 136.3 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | trans | -59.6 | 111.9 | -177.3 | -148.1 | 0 | 0 | 0 | 0 | 109.5 | E17 | S15-E17 VanDerWaalsContact C-N 3.25Å; S15-E17 PolarHBondContact O-N 3.15Å | ||
| 16 | L | 45.8 | Very low | 46.9 | Very low | 172 Ų | 172 | 136.1 Ų | 136.1 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | trans | -90.2 | 70.6 | 165.5 | -151.1 | 92.7 | 0 | 0 | 0 | 107.9 | A14 H18 | A14-L16 PolarHBondContact O-N 3.39Å; L16-H18 PolarHBondContact O-N 3.36Å | ||
| 17 | E | 48.6 | Very low | 46.5 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 77% | 0.771 | 78% | 0.778 | S | S | * | * | trans | -84.5 | 84.1 | 163.2 | -67.1 | -144 | 124.5 | 0 | 0 | 108 | S15 | S15-E17 VanDerWaalsContact C-N 3.25Å; S15-E17 PolarHBondContact O-N 3.15Å | ||
| 18 | H | 49.8 | Very low | 46.5 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -155.4 | 88.3 | 156.3 | -92 | -74.2 | 0 | 0 | 0 | 108.7 | L16 V20 | L16-H18 PolarHBondContact O-N 3.36Å; H18-V20 VanDerWaalsContact C-N 3.34Å; H18-V20 PolarHBondContact O-N 2.94Å | ||
| 19 | T | 48.5 | Very low | 45.7 | Very low | 142 Ų | 142 | 146.7 Ų | 146.7 | 87% | 0.871 | 78% | 0.781 | S | S | * | * | trans | -63.6 | 98 | 155.5 | -48.3 | 0 | 0 | 0 | 0 | 106.9 | S21 | T19-S21 PolarHBondContact O-N 3.16Å; T19-S21 VanDerWaalsContact O-N 3.17Å | ||
| 20 | V | 42.4 | Very low | 45.5 | Very low | 123 Ų | 123 | 143.8 Ų | 143.8 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | trans | -79.4 | 98.1 | 166.9 | 173.9 | 0 | 0 | 0 | 0 | 106.5 | H18 | H18-V20 VanDerWaalsContact C-N 3.34Å; H18-V20 PolarHBondContact O-N 2.94Å | ||
| 21 | S | 45.4 | Very low | 44.9 | Very low | 58 Ų | 58 | 150 Ų | 150 | 41% | 0.406 | 79% | 0.786 | S | S | . | * | trans | -56.1 | 139.2 | 166.4 | -172.8 | 0 | 0 | 0 | 0 | 108.9 | T19 E23 | T19-S21 PolarHBondContact O-N 3.16Å; T19-S21 VanDerWaalsContact O-N 3.17Å; S21-E23 WeakPolarHBondContact CB-OE1 3.49Å; S21-E23 PolarHBondContact O-N 3.23Å; S21-E23 PolarHBondContact OG-OE1 2.98Å | ||
| 22 | A | 45.3 | Very low | 44.3 | Very low | 113 Ų | 113 | 153.1 Ų | 153.1 | 93% | 0.934 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 19.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 23 | E | 51.9 | Low | 43.7 | Very low | 150 Ų | 150 | 152.7 Ų | 152.7 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | -4.4 | -173.8 | 66.2 | -167.4 | 103 | 0 | 0 | 114.8 | S21 | S21-E23 WeakPolarHBondContact CB-OE1 3.49Å; S21-E23 PolarHBondContact O-N 3.23Å; S21-E23 PolarHBondContact OG-OE1 2.98Å |
| 24 | E | 44.6 | Very low | 43.4 | Very low | 158 Ų | 158 | 144.9 Ų | 144.9 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | trans | -113.5 | 53.9 | -173.2 | -149.8 | 162.7 | 145.2 | 0 | 0 | 114.2 | ||||
| 25 | L | 40.9 | Very low | 43.5 | Very low | 183 Ų | 183 | 144 Ų | 144 | 96% | 0.958 | 79% | 0.794 | S | S | * | * | trans | -129.3 | 57.6 | 160.4 | -83.1 | 164.7 | 0 | 0 | 0 | 109.3 | ||||
| 26 | S | 47.6 | Very low | 42.8 | Very low | 77 Ų | 77 | 145.2 Ų | 145.2 | 54% | 0.538 | 80% | 0.802 | S | S | . | * | trans | -116.9 | 54.4 | 178.7 | 54.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 27 | Y | 35.4 | Very low | 42.7 | Very low | 201 Ų | 201 | 143.5 Ų | 143.5 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -136 | 105.4 | 164.6 | -68.4 | -74.9 | 0 | 0 | 0 | 113 | ||
| 28 | Q | 44.2 | Very low | 42.6 | Very low | 175 Ų | 175 | 143.5 Ų | 143.5 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | 79.1 | 74.6 | 145.5 | -53.8 | -78.4 | 42.1 | 0 | 0 | 118.2 | ||||
| 29 | L | 39.6 | Very low | 43 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | trans | -88.9 | 124.7 | 149.6 | -97.7 | 104.2 | 0 | 0 | 0 | 110.1 | R31 | L29-R31 PolarHBondContact O-N 2.89Å; L29-R31 VanDerWaalsContact O-N 3.15Å | ||
| 30 | P | 35.4 | Very low | 42.8 | Very low | 124 Ų | 124 | 145 Ų | 145 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | trans | -62.2 | 116.1 | 169 | -19.3 | 31.3 | 0 | 0 | 0 | 110.1 | R32 | P30-R32 PolarHBondContact O-N 3.27Š| ||
| 31 | R | 43.2 | Very low | 43 | Very low | 246 Ų | 246 | 147.5 Ų | 147.5 | 93% | 0.928 | 79% | 0.794 | S | S | * | * | trans | -65.3 | 115.4 | 167.9 | -74.8 | -163.3 | 171.1 | -155.1 | -0.5 | 109.4 | L29 | L29-R31 PolarHBondContact O-N 2.89Å; L29-R31 VanDerWaalsContact O-N 3.15Å | ||
| 32 | R | 35.2 | Very low | 42.9 | Very low | 245 Ų | 245 | 151.1 Ų | 151.1 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -122.7 | 117.3 | 150.7 | -94.8 | -170.2 | 174.7 | -158.2 | -0.5 | 109.7 | P30 | P30-R32 PolarHBondContact O-N 3.27Š| ||
| 33 | A | 37.8 | Very low | 42.8 | Very low | 110 Ų | 110 | 149.5 Ų | 149.5 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -69.3 | 144.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 34 | G | 36.5 | Very low | 42.2 | Very low | 77 Ų | 77 | 152.9 Ų | 152.9 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | 166.1 | 90.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 35 | G | 43.8 | Very low | 42.3 | Very low | 85 Ų | 85 | 149 Ų | 149 | 88% | 0.876 | 81% | 0.812 | S | S | * | * | trans | -69.5 | 161.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 36 | S | 37.6 | Very low | 42 | Very low | 116 Ų | 116 | 149.2 Ų | 149.2 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | trans | -158.4 | 130.2 | 143.9 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 37 | N | 43 | Very low | 42 | Very low | 136 Ų | 136 | 155.4 Ų | 155.4 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | trans | -55.5 | 134 | -176.7 | -77 | -86.1 | 0 | 0 | 0 | 113.4 | ||||
| 38 | L | 46.4 | Very low | 42 | Very low | 165 Ų | 165 | 151.6 Ų | 151.6 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | trans | -112.2 | 78.5 | 157.9 | -65 | 173.9 | 0 | 0 | 0 | 108.1 | ||||
| 39 | T | 58.9 | Low | 41.9 | Very low | 86 Ų | 86 | 148 Ų | 148 | 53% | 0.528 | 82% | 0.824 | S | S | . | * | trans | -88.4 | 112 | 169.4 | 39.5 | 0 | 0 | 0 | 0 | 109 | H41 | T39-H41 PolarHBondContact O-CD2 3.03Å; T39-H41 PolarHBondContact O-N 3.38Å; T39-H41 VanDerWaalsContact O-N 3.15Å | ||
| 40 | W | 43.6 | Very low | 41.9 | Very low | 254 Ų | 254 | 148.5 Ų | 148.5 | 96% | 0.962 | 82% | 0.821 | S | S | * | * | trans | -60.1 | 110.9 | 167.2 | -62.7 | 96.6 | 0 | 0 | 0 | 108.6 | D42 | W40-D42 PolarHBondContact O-N 2.87Š| ||
| 41 | H | 47.4 | Very low | 42.6 | Very low | 174 Ų | 174 | 149.7 Ų | 149.7 | 81% | 0.806 | 83% | 0.826 | S | S | * | * | trans | -81.9 | 114.7 | 175.8 | -80.1 | -80.7 | 0 | 0 | 0 | 110.4 | T39 | T39-H41 PolarHBondContact O-CD2 3.03Å; T39-H41 PolarHBondContact O-N 3.38Å; T39-H41 VanDerWaalsContact O-N 3.15Å | ||
| 42 | D | 41.7 | Very low | 42.8 | Very low | 135 Ų | 135 | 149 Ų | 149 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | trans | -64.9 | 132.9 | 164.9 | -179.5 | 41.2 | 0 | 0 | 0 | 110.4 | W40 R44 | W40-D42 PolarHBondContact O-N 2.87Å; D42-R44 PolarHBondContact O-N 3.17Å | ||
| 43 | G | 43.3 | Very low | 43.2 | Very low | 78 Ų | 78 | 143.9 Ų | 143.9 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -88.7 | 96.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 44 | R | 40.6 | Very low | 43.7 | Very low | 221 Ų | 221 | 144.9 Ų | 144.9 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | trans | -128.1 | 119.2 | 164.1 | -153.2 | -177.4 | -63.3 | -106.9 | -0.1 | 109.9 | D42 | D42-R44 PolarHBondContact O-N 3.17Š| ||
| 45 | G | 45.3 | Very low | 44.4 | Very low | 78 Ų | 78 | 150.9 Ų | 150.9 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -69.8 | 153.5 | -165 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 46 | Q | 35.2 | Very low | 44.9 | Very low | 186 Ų | 186 | 153.9 Ų | 153.9 | 87% | 0.869 | 81% | 0.814 | S | S | * | * | trans | -151.4 | 126 | 158.7 | -152.2 | 171 | 90 | 0 | 0 | 109.6 | ||||
| 47 | K | 48.3 | Very low | 45.5 | Very low | 208 Ų | 208 | 155.2 Ų | 155.2 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | trans | -73.4 | 122.4 | 177.5 | -68.8 | 173.3 | 172.4 | 178.2 | 0 | 109.5 | ||||
| 48 | T | 35 | Very low | 46 | Very low | 121 Ų | 121 | 156.8 Ų | 156.8 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | trans | -140.2 | 122.3 | 154 | 47.5 | 0 | 0 | 0 | 0 | 109.2 | H50 | T48-H50 PolarHBondContact O-N 3.07Š| ||
| 49 | A | 43.1 | Very low | 46.1 | Very low | 100 Ų | 100 | 155.5 Ų | 155.5 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | -78.4 | 99.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 50 | H | 39 | Very low | 45.2 | Very low | 174 Ų | 174 | 157.7 Ų | 157.7 | 81% | 0.806 | 82% | 0.819 | S | S | * | * | trans | -129.3 | 115.7 | 163.9 | -83.5 | 32.4 | 0 | 0 | 0 | 109.1 | T48 R52 | T48-H50 PolarHBondContact O-N 3.07Å; H50-R52 PolarHBondContact O-N 3.5Å | ||
| 51 | T | 49.8 | Very low | 45.7 | Very low | 148 Ų | 148 | 148.7 Ų | 148.7 | 91% | 0.908 | 81% | 0.806 | S | S | * | * | trans | -58.4 | 101 | 172.4 | 44.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 52 | R | 47.2 | Very low | 46.1 | Very low | 231 Ų | 231 | 146.3 Ų | 146.3 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | trans | -131.8 | 107.7 | 153.6 | -74.6 | -174.1 | 178.2 | 177.7 | -0 | 107.4 | H50 V54 | H50-R52 PolarHBondContact O-N 3.5Å; R52-V54 VanDerWaalsContact C-N 3.33Å; R52-V54 PolarHBondContact O-N 3.12Å | ||
| 53 | T | 44.7 | Very low | 46.3 | Very low | 138 Ų | 138 | 147.3 Ų | 147.3 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | trans | -60.5 | 97.2 | 166.4 | 42.5 | 0 | 0 | 0 | 0 | 108.2 | K55 | T53-K55 PolarHBondContact O-N 3.4Å; T53-K55 VanDerWaalsContact O-N 3.12Å | ||
| 54 | V | 46.9 | Very low | 46.4 | Very low | 131 Ų | 131 | 147.3 Ų | 147.3 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | -62.3 | 109.3 | 157.4 | -96.6 | 0 | 0 | 0 | 0 | 106.1 | R52 L56 | R52-V54 VanDerWaalsContact C-N 3.33Å; R52-V54 PolarHBondContact O-N 3.12Å; V54-L56 PolarHBondContact O-N 3.24Å | ||
| 55 | K | 51.7 | Low | 46.9 | Very low | 204 Ų | 204 | 142.5 Ų | 142.5 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | trans | -66 | 84.6 | 161.5 | -78.7 | -175.9 | 160.2 | 177.9 | 0 | 106.4 | T53 L57 | T53-K55 PolarHBondContact O-N 3.4Å; T53-K55 VanDerWaalsContact O-N 3.12Å; K55-L57 PolarHBondContact O-N 2.87Å | ||
| 56 | L | 55.3 | Low | 46.9 | Very low | 148 Ų | 148 | 147.7 Ų | 147.7 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | trans | -47.6 | 123.4 | 154.1 | -106.4 | 157.6 | 0 | 0 | 0 | 105.2 | V54 Q58 | V54-L56 PolarHBondContact O-N 3.24Å; L56-Q58 PolarHBondContact O-N 2.74Å | ||
| 57 | L | 49.3 | Very low | 47.3 | Very low | 143 Ų | 143 | 144.6 Ų | 144.6 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | trans | -58.9 | 92.6 | 164.7 | -176.1 | 76.7 | 0 | 0 | 0 | 105.4 | K55 Q59 | K55-L57 PolarHBondContact O-N 2.87Å; L57-Q59 VanDerWaalsContact C-N 3.28Å; L57-Q59 PolarHBondContact O-N 3.31Å | ||
| 58 | Q | 53.3 | Low | 47.4 | Very low | 170 Ų | 170 | 142 Ų | 142 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -64.2 | 99 | 171.3 | -169 | 85.7 | 75.9 | 0 | 0 | 104.6 | L56 P60 | L56-Q58 PolarHBondContact O-N 2.74Å; Q58-P60 VanDerWaalsContact O-CD 3.28Å; Q58-P60 WeakPolarHBondContact O-CD 3.46Å | ||
| 59 | Q | 49.1 | Very low | 47.9 | Very low | 137 Ų | 137 | 142.6 Ų | 142.6 | 64% | 0.64 | 78% | 0.782 | S | S | * | * | trans | -63.2 | 120.9 | 168.2 | -62 | -146 | -37.7 | 0 | 0 | 106.5 | L57 G61 | L57-Q59 VanDerWaalsContact C-N 3.28Å; L57-Q59 PolarHBondContact O-N 3.31Å; Q59-G61 PolarHBondContact O-N 3.19Å | ||
| 60 | P | 39.4 | Very low | 48.3 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | 121.3 | 174.1 | -12.7 | 27.7 | 0 | 0 | 0 | 107.9 | Q58 | Q58-P60 VanDerWaalsContact O-CD 3.28Å; Q58-P60 WeakPolarHBondContact O-CD 3.46Å |
| 61 | G | 54.3 | Low | 48.7 | Very low | 66 Ų | 66 | 138.4 Ų | 138.4 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 114.1 | 30.8 | 167 | 0 | 0 | 0 | 0 | 0 | 118 | Q59 | Q59-G61 PolarHBondContact O-N 3.19Š|
| 62 | T | 54.7 | Low | 48.6 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | trans | -108.8 | 79.1 | 163.5 | -48.4 | 0 | 0 | 0 | 0 | 109.6 | G64 | T62-G64 PolarHBondContact O-N 3.17Š| ||
| 63 | E | 47.2 | Very low | 48.8 | Very low | 157 Ų | 157 | 130.5 Ų | 130.5 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | trans | -61.1 | 125.8 | 155.3 | 54.8 | -151.1 | 109.1 | 0 | 0 | 108.3 | I65 | E63-I65 HydrophobicContact CG-CD1 4.22Å; E63-I65 PolarHBondContact O-N 3.44Å | ||
| 64 | G | 45.2 | Very low | 49.2 | Very low | 77 Ų | 77 | 127.7 Ų | 127.7 | 79% | 0.794 | 72% | 0.72 | S | S | * | * | trans | -69.1 | 97.8 | -179 | 0 | 0 | 0 | 0 | 0 | 110 | T62 Q66 | T62-G64 PolarHBondContact O-N 3.17Å; G64-Q66 PolarHBondContact O-N 3.03Å; G64-Q66 VanDerWaalsContact O-N 3.13Å | ||
| 65 | I | 50.7 | Low | 49.4 | Very low | 121 Ų | 121 | 127.4 Ų | 127.4 | 62% | 0.621 | 72% | 0.719 | S | S | * | * | trans | -70.6 | 108.8 | 167.7 | -72.8 | 105.3 | 0 | 0 | 0 | 108 | E63 L67 | E63-I65 HydrophobicContact CG-CD1 4.22Å; E63-I65 PolarHBondContact O-N 3.44Å; I65-L67 VanDerWaalsContact C-N 3.27Å; I65-L67 HydrophobicContact CG2-CD2 3.5Å; I65-L67 HydrophobicContact CG2-CG 3.88Å; I65-L67 PolarHBondContact O-N 3.25Å | ||
| 66 | Q | 45.4 | Very low | 49.3 | Very low | 186 Ų | 186 | 127.2 Ų | 127.2 | 87% | 0.869 | 71% | 0.714 | S | S | * | * | trans | -64.1 | 88.7 | 164.1 | -172.2 | 89.9 | 77.9 | 0 | 0 | 107.8 | G64 H68 | G64-Q66 PolarHBondContact O-N 3.03Å; G64-Q66 VanDerWaalsContact O-N 3.13Å; Q66-H68 PolarHBondContact O-N 3.44Å; Q66-H68 VanDerWaalsContact O-N 3.15Å | ||
| 67 | L | 43.8 | Very low | 49.2 | Very low | 122 Ų | 122 | 126.9 Ų | 126.9 | 64% | 0.639 | 71% | 0.708 | S | S | * | * | trans | -68 | 112.4 | -178.7 | -70.3 | 170.1 | 0 | 0 | 0 | 110.3 | I65 | I65-L67 VanDerWaalsContact C-N 3.27Å; I65-L67 HydrophobicContact CG2-CD2 3.5Å; I65-L67 HydrophobicContact CG2-CG 3.88Å; I65-L67 PolarHBondContact O-N 3.25Å | ||
| 68 | H | 50.6 | Low | 48.8 | Very low | 154 Ų | 154 | 125.6 Ų | 125.6 | 71% | 0.713 | 71% | 0.706 | S | S | * | * | trans | -72.4 | 145.8 | 166.7 | -147.8 | -104.3 | 0 | 0 | 0 | 108.9 | Q66 G70 | Q66-H68 PolarHBondContact O-N 3.44Å; Q66-H68 VanDerWaalsContact O-N 3.15Å; H68-G70 PolarHBondContact O-N 3.39Å | ||
| 69 | P | 44.5 | Very low | 48.7 | Very low | 132 Ų | 132 | 122 Ų | 122 | 86% | 0.857 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 20.5 | -172.4 | -21.8 | 33.6 | 0 | 0 | 0 | 117.6 | ||
| 70 | G | 53.3 | Low | 48.7 | Very low | 58 Ų | 58 | 119.6 Ų | 119.6 | 60% | 0.598 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.8 | -8.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | H68 | H68-G70 PolarHBondContact O-N 3.39Š|
| 71 | E | 46.8 | Very low | 49.6 | Very low | 128 Ų | 128 | 119.8 Ų | 119.8 | 60% | 0.598 | 70% | 0.695 | S | S | * | * | trans | -118.6 | 22.9 | -169.2 | -64.8 | -171.8 | 147.7 | 0 | 0 | 114.1 | F73 T74 | E71-F73 PolarHBondContact O-N 3.46Å; E71-T74 PolarHBondContact O-OG1 3.48Å | ||
| 72 | A | 47.3 | Very low | 49.2 | Very low | 90 Ų | 90 | 121.1 Ų | 121.1 | 74% | 0.744 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 19.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 73 | F | 51.4 | Low | 48.8 | Very low | 124 Ų | 124 | 120.8 Ų | 120.8 | 54% | 0.544 | 69% | 0.689 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.5 | 0.1 | 177.5 | -66.6 | -70.4 | 0 | 0 | 0 | 113.5 | E71 L91 | E71-F73 PolarHBondContact O-N 3.46Å; F73-L91 HydrophobicContact CD1-CD1 4.02Å; F73-L91 HydrophobicContact CE1-CB 4.42Å; F73-L91 HydrophobicContact CE1-CD1 4.31Å; F73-L91 HydrophobicContact CE1-CD2 4.47Å |
| 74 | T | 53.2 | Low | 49.1 | Very low | 78 Ų | 78 | 115.8 Ų | 115.8 | 48% | 0.479 | 67% | 0.67 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91 | -0.1 | -172 | 56.7 | 0 | 0 | 0 | 0 | 114.9 | E71 Y76 H77 | E71-T74 PolarHBondContact O-OG1 3.48Å; T74-Y76 PolarHBondContact O-N 3.33Å; T74-H77 PolarHBondContact O-CD2 3.22Å |
| 75 | V | 51.2 | Low | 49.6 | Very low | 126 Ų | 126 | 121.2 Ų | 121.2 | 76% | 0.764 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -0 | -179.7 | -169.6 | 0 | 0 | 0 | 0 | 113 | ||
| 76 | Y | 50.1 | Low | 50.9 | Low | 200 Ų | 200 | 118.4 Ų | 118.4 | 78% | 0.784 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -110.1 | 60.9 | 167.7 | -53.6 | -73.7 | 0 | 0 | 0 | 110.6 | T74 T78 | T74-Y76 PolarHBondContact O-N 3.33Å; Y76-T78 PolarHBondContact O-N 3.12Å |
| 77 | H | 52.4 | Low | 53 | Low | 140 Ų | 140 | 112.7 Ų | 112.7 | 65% | 0.648 | 64% | 0.644 | S | S | * | * | trans | -84 | 106.5 | 172.9 | -107.4 | -117.5 | 0 | 0 | 0 | 111.1 | T74 | T74-H77 PolarHBondContact O-CD2 3.22Š| ||
| 78 | T | 40.2 | Very low | 55.3 | Low | 116 Ų | 116 | 109.2 Ų | 109.2 | 71% | 0.712 | 63% | 0.628 | S | S | * | * | trans | -141.1 | 81 | 142.3 | 57.7 | 0 | 0 | 0 | 0 | 107.8 | Y76 | Y76-T78 PolarHBondContact O-N 3.12Š| ||
| 79 | S | 52.7 | Low | 57.5 | Low | 94 Ų | 94 | 101.9 Ų | 101.9 | 66% | 0.657 | 59% | 0.594 | S | S | * | * | trans | -73.3 | 138.2 | 176.7 | -55.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 80 | P | 47.9 | Very low | 59.9 | Low | 87 Ų | 87 | 99 Ų | 99 | 57% | 0.565 | 57% | 0.574 | S | S | * | * | -140.2 | 124.2 | 93.2 | 28.3 | -9 | 0 | 0 | 0 | 115.2 | L82 | P80-L82 PolarHBondContact O-N 3.15Š| |||
| 81 | T | 57.9 | Low | 62 | Low | 137 Ų | 137 | 98.8 Ų | 98.8 | 84% | 0.84 | 56% | 0.559 | S | S | * | * | trans | 44.8 | 18.8 | 134.5 | 57.2 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 82 | L | 46.8 | Very low | 64.4 | Low | 93 Ų | 93 | 94.2 Ų | 94.2 | 49% | 0.487 | 54% | 0.536 | S | S | . | . | trans | -126.8 | 99.2 | -177.3 | -72 | 155.7 | 0 | 0 | 0 | 113.6 | P80 C84 R169 | P80-L82 PolarHBondContact O-N 3.15Å; L82-C84 PolarHBondContact O-N 2.8Å; L82-R169 VanDerWaalsContact CD1-NH2 3.25Å | ||
| 83 | S | 45.4 | Very low | 66.8 | Low | 117 Ų | 117 | 92.9 Ų | 92.9 | 82% | 0.818 | 52% | 0.519 | S | S | * | . | S | Bend | trans | 50.4 | 46.1 | 152 | 69.5 | 0 | 0 | 0 | 0 | 119.6 | ||
| 84 | C | 53.7 | Low | 69 | Low | 51 Ų | 51 | 90.3 Ų | 90.3 | 35% | 0.345 | 51% | 0.509 | S | S | . | . | trans | -129.8 | 70.6 | 157.6 | -171.7 | 0 | 0 | 0 | 0 | 110.7 | L82 S86 R162 | L82-C84 PolarHBondContact O-N 2.8Å; C84-S86 PolarHBondContact O-N 2.84Å; C84-S86 VanDerWaalsContact O-N 3.13Å; C84-S86 PolarHBondContact SG-O 3.23Å; C84-R162 WeakPolarHBondContact SG-CD 3.3Å | ||
| 85 | L | 56.2 | Low | 71.2 | Confident | 191 Ų | 191 | 92.4 Ų | 92.4 | 100% | 1 | 51% | 0.513 | S | S | * | . | trans | -63 | -8.5 | 167.4 | -69 | 164.4 | 0 | 0 | 0 | 112.4 | ||||
| 86 | S | 78.3 | Confident | 73.4 | Confident | 63 Ų | 63 | 88.1 Ų | 88.1 | 44% | 0.441 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -85.5 | 118.8 | 175.7 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | C84 | C84-S86 PolarHBondContact O-N 2.84Å; C84-S86 VanDerWaalsContact O-N 3.13Å; C84-S86 PolarHBondContact SG-O 3.23Å |
| 87 | K | 89 | Confident | 75.7 | Confident | 65 Ų | 65 | 78.6 Ų | 78.6 | 28% | 0.283 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -49.9 | 129.4 | 167.3 | -172.6 | 177.1 | 172.7 | -164.5 | 0 | 110.5 | L91 W92 D96 | K87-L91 HydrophobicContact CD-CB 4.5Å; K87-L91 VanDerWaalsContact CE-C 3.44Å; K87-L91 WeakPolarHBondContact CE-O 3.33Å; K87-L91 HydrophobicContact CG-CB 4.02Å; K87-L91 PolarHBondContact NZ-O 3.33Å; K87-W92 PolarHBondContact O-NE1 2.72Å; K87-D96 IonicContact NZ-OD2 3.72Å; K87-D96 PolarHBondContact NZ-OD2 3.38Å |
| 88 | P | 92.8 | Very high | 77.8 | Confident | 49 Ų | 49 | 72.6 Ų | 72.6 | 32% | 0.318 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -55 | 144 | 174.6 | -26.7 | 33.1 | 0 | 0 | 0 | 112.3 | V90 L91 | P88-V90 VanDerWaalsContact C-N 3.25Å; P88-V90 HydrophobicContact CB-CG1 4.09Å; P88-V90 PolarHBondContact O-N 2.96Å; P88-L91 HydrophobicContact CG-CD1 4.3Å; P88-L91 PolarHBondContact O-N 3.19Å |
| 89 | V | 96.3 | Very high | 80.5 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -61.1 | -36.8 | -174.5 | 176.9 | 0 | 0 | 0 | 0 | 111.6 | L91 W92 G123 L127 L155 E159 | V89-L91 PolarHBondContact O-N 3.1Å; V89-W92 HydrophobicContact CB-CD2 4.29Å; V89-W92 HydrophobicContact CG1-CD2 4.14Å; V89-W92 HydrophobicContact CG1-CE3 4.02Å; V89-W92 HydrophobicContact CG1-CZ3 4.33Å; V89-W92 HydrophobicContact CG2-CD2 4.19Å; V89-W92 HydrophobicContact CG2-CE3 4.37Å; V89-W92 HydrophobicContact CG2-CH2 3.84Å; V89-W92 HydrophobicContact CG2-CZ2 3.64Å; V89-W92 HydrophobicContact CG2-CZ3 4.2Å; V89-W92 VanDerWaalsContact O-CB 3.26Å; V89-W92 WeakPolarHBondContact O-CB 3.2Å; V89-W92 PolarHBondContact O-N 3.03Å; V89-G123 VanDerWaalsContact O-CA 3.29Å; V89-G123 WeakPolarHBondContact O-CA 3.41Å; V89-L127 HydrophobicContact CB-CD1 4.18Å; V89-L127 HydrophobicContact CB-CD2 4.4Å; V89-L127 HydrophobicContact CG1-CD1 3.82Å; V89-L127 HydrophobicContact CG1-CD2 3.8Å; V89-L127 HydrophobicContact CG1-CG 3.72Å; V89-L155 HydrophobicContact CG1-CD2 3.94Å; V89-L155 HydrophobicContact CG2-CD1 3.69Å; V89-L155 HydrophobicContact CG2-CD2 3.95Å; V89-L155 HydrophobicContact CG2-CG 3.86Å; V89-E159 WeakPolarHBondContact CG2-OE2 3.32Å; V89-E159 PolarHBondContact N-OE1 2.91Å |
| 90 | V | 95.7 | Very high | 82.6 | Confident | 71 Ų | 71 | 69 Ų | 69 | 43% | 0.43 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -56.4 | -25.7 | 176.6 | 68 | 0 | 0 | 0 | 0 | 113.1 | P88 R124 | P88-V90 VanDerWaalsContact C-N 3.25Å; P88-V90 HydrophobicContact CB-CG1 4.09Å; P88-V90 PolarHBondContact O-N 2.96Å; V90-R124 HydrophobicContact CG2-CG 3.77Å; V90-R124 VanDerWaalsContact O-CG 3.23Å; V90-R124 WeakPolarHBondContact O-CG 3.22Å |
| 91 | L | 95.9 | Very high | 85 | Confident | 55 Ų | 55 | 64.8 Ų | 64.8 | 29% | 0.288 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -92.6 | -5.3 | 178.7 | -60.7 | -179.8 | 0 | 0 | 0 | 113.1 | F73 K87 P88 V89 T93 | F73-L91 HydrophobicContact CD1-CD1 4.02Å; F73-L91 HydrophobicContact CE1-CB 4.42Å; F73-L91 HydrophobicContact CE1-CD1 4.31Å; F73-L91 HydrophobicContact CE1-CD2 4.47Å; K87-L91 HydrophobicContact CD-CB 4.5Å; K87-L91 VanDerWaalsContact CE-C 3.44Å; K87-L91 WeakPolarHBondContact CE-O 3.33Å; K87-L91 HydrophobicContact CG-CB 4.02Å; K87-L91 PolarHBondContact NZ-O 3.33Å; P88-L91 HydrophobicContact CG-CD1 4.3Å; P88-L91 PolarHBondContact O-N 3.19Å; V89-L91 PolarHBondContact O-N 3.1Å; L91-T93 PolarHBondContact O-N 3.47Å |
| 92 | W | 97.7 | Very high | 86.8 | Confident | 31 Ų | 31 | 64.9 Ų | 64.9 | 12% | 0.117 | 35% | 0.346 | C | S | . | . | trans | -62.7 | 132.6 | -176.1 | -73.9 | 10.2 | 0 | 0 | 0 | 112.1 | K87 V89 D96 V97 W100 G123 L126 L155 | K87-W92 PolarHBondContact O-NE1 2.72Å; V89-W92 HydrophobicContact CB-CD2 4.29Å; V89-W92 HydrophobicContact CG1-CD2 4.14Å; V89-W92 HydrophobicContact CG1-CE3 4.02Å; V89-W92 HydrophobicContact CG1-CZ3 4.33Å; V89-W92 HydrophobicContact CG2-CD2 4.19Å; V89-W92 HydrophobicContact CG2-CE3 4.37Å; V89-W92 HydrophobicContact CG2-CH2 3.84Å; V89-W92 HydrophobicContact CG2-CZ2 3.64Å; V89-W92 HydrophobicContact CG2-CZ3 4.2Å; V89-W92 VanDerWaalsContact O-CB 3.26Å; V89-W92 WeakPolarHBondContact O-CB 3.2Å; V89-W92 PolarHBondContact O-N 3.03Å; W92-D96 HydrophobicContact CB-CB 3.72Å; W92-D96 HydrophobicContact CD2-CB 4.16Å; W92-D96 HydrophobicContact CG-CB 3.79Å; W92-V97 HydrophobicContact CB-CG2 4.39Å; W92-V97 HydrophobicContact CE3-CG2 4.35Å; W92-W100 HydrophobicContact CE3-CB 4.39Å; W92-W100 HydrophobicContact CH2-CB 4.07Å; W92-W100 AromaticContact CH2-CD1 3.48Å; W92-W100 VanDerWaalsContact CH2-CD1 3.48Å; W92-W100 AromaticContact CH2-CG 3.87Å; W92-W100 HydrophobicContact CH2-CG 3.87Å; W92-W100 HydrophobicContact CZ3-CB 3.57Å; W92-W100 AromaticContact CZ3-CD1 3.61Å; W92-W100 HydrophobicContact CZ3-CD2 4.27Å; W92-W100 AromaticContact CZ3-CG 3.52Å; W92-W100 HydrophobicContact CZ3-CG 3.52Å; W92-G123 PolarHBondContact O-N 3.07Å; W92-L126 HydrophobicContact CE3-CD2 4.39Å; W92-L126 HydrophobicContact CZ3-CD2 4.32Å; W92-L155 HydrophobicContact CH2-CD1 3.89Å; W92-L155 HydrophobicContact CH2-CD2 4.09Å; W92-L155 HydrophobicContact CZ3-CD1 4.47Å; W92-L155 HydrophobicContact CZ3-CD2 3.83Å | ||
| 93 | T | 97.9 | Very high | 89.1 | Confident | 62 Ų | 62 | 68.2 Ų | 68.2 | 38% | 0.38 | 36% | 0.357 | S | S | . | . | trans | -75.8 | 169.7 | 169 | 64.3 | 0 | 0 | 0 | 0 | 110.3 | L91 Q95 D96 V97 | L91-T93 PolarHBondContact O-N 3.47Å; T93-Q95 PolarHBondContact O-N 3.47Å; T93-Q95 PolarHBondContact OG1-N 3.21Å; T93-D96 PolarHBondContact N-OD2 3.35Å; T93-D96 WeakPolarHBondContact O-CB 3.47Å; T93-D96 PolarHBondContact O-N 3.31Å; T93-D96 VanDerWaalsContact O-N 3.14Å; T93-D96 PolarHBondContact OG1-N 3.27Å; T93-D96 PolarHBondContact OG1-OD2 3.06Å; T93-V97 WeakPolarHBondContact O-CG2 3.44Å; T93-V97 PolarHBondContact O-N 3.29Å; T93-V97 VanDerWaalsContact O-N 3.07Å | ||
| 94 | Q | 98.3 | Very high | 91.5 | Very high | 70 Ų | 70 | 64.6 Ų | 64.6 | 33% | 0.327 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -54.5 | -39.9 | 170.2 | -179.4 | -161.6 | 56.3 | 0 | 0 | 111.9 | D96 V97 C98 S117 A120 I121 | Q94-D96 VanDerWaalsContact C-N 3.32Å; Q94-D96 PolarHBondContact O-N 3.02Å; Q94-V97 WeakPolarHBondContact O-CB 3.35Å; Q94-V97 PolarHBondContact O-N 2.86Å; Q94-C98 PolarHBondContact O-N 2.64Å; Q94-C98 PolarHBondContact O-SG 3.39Å; Q94-S117 VanDerWaalsContact NE2-CA 3.29Å; Q94-S117 PolarHBondContact NE2-O 3.3Å; Q94-A120 VanDerWaalsContact NE2-CA 3.35Å; Q94-I121 WeakPolarHBondContact CA-O 3.22Å |
| 95 | Q | 98 | Very high | 93.5 | Very high | 122 Ų | 122 | 62.2 Ų | 62.2 | 57% | 0.57 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.6 | -40.9 | 178.5 | -167.6 | -170.3 | 23.2 | 0 | 0 | 112.1 | T93 V97 C98 K99 | T93-Q95 PolarHBondContact O-N 3.47Å; T93-Q95 PolarHBondContact OG1-N 3.21Å; Q95-V97 VanDerWaalsContact C-N 3.31Å; Q95-C98 PolarHBondContact O-N 3.43Å; Q95-K99 WeakPolarHBondContact O-CG 3.16Å; Q95-K99 PolarHBondContact O-N 2.99Å |
| 96 | D | 97.8 | Very high | 95.2 | Very high | 37 Ų | 37 | 56.6 Ų | 56.6 | 20% | 0.198 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 176.5 | -60.1 | -41.8 | 0 | 0 | 0 | 110.6 | K87 W92 T93 Q94 K99 W100 | K87-D96 IonicContact NZ-OD2 3.72Å; K87-D96 PolarHBondContact NZ-OD2 3.38Å; W92-D96 HydrophobicContact CB-CB 3.72Å; W92-D96 HydrophobicContact CD2-CB 4.16Å; W92-D96 HydrophobicContact CG-CB 3.79Å; T93-D96 PolarHBondContact N-OD2 3.35Å; T93-D96 WeakPolarHBondContact O-CB 3.47Å; T93-D96 PolarHBondContact O-N 3.31Å; T93-D96 VanDerWaalsContact O-N 3.14Å; T93-D96 PolarHBondContact OG1-N 3.27Å; T93-D96 PolarHBondContact OG1-OD2 3.06Å; Q94-D96 VanDerWaalsContact C-N 3.32Å; Q94-D96 PolarHBondContact O-N 3.02Å; D96-K99 PolarHBondContact O-N 3.14Å; D96-W100 WeakPolarHBondContact O-CB 3.43Å; D96-W100 PolarHBondContact O-N 2.94Å |
| 97 | V | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 174.6 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | W92 T93 Q94 Q95 K99 W100 L101 F116 I121 L126 | W92-V97 HydrophobicContact CB-CG2 4.39Å; W92-V97 HydrophobicContact CE3-CG2 4.35Å; T93-V97 WeakPolarHBondContact O-CG2 3.44Å; T93-V97 PolarHBondContact O-N 3.29Å; T93-V97 VanDerWaalsContact O-N 3.07Å; Q94-V97 WeakPolarHBondContact O-CB 3.35Å; Q94-V97 PolarHBondContact O-N 2.86Å; Q95-V97 VanDerWaalsContact C-N 3.31Å; V97-K99 VanDerWaalsContact C-N 3.33Å; V97-K99 PolarHBondContact O-N 3.3Å; V97-W100 WeakPolarHBondContact O-CB 3.44Å; V97-W100 PolarHBondContact O-N 2.89Å; V97-W100 VanDerWaalsContact O-N 3.14Å; V97-L101 HydrophobicContact CG1-CD1 4.4Å; V97-L101 PolarHBondContact O-N 3.44Å; V97-F116 HydrophobicContact CG1-CD1 3.78Å; V97-F116 HydrophobicContact CG1-CE1 4.33Å; V97-I121 HydrophobicContact CG1-CG2 4.37Å; V97-L126 HydrophobicContact CG1-CD1 4.3Å; V97-L126 HydrophobicContact CG1-CD2 4.34Å; V97-L126 HydrophobicContact CG2-CD2 4.27Å |
| 98 | C | 97.4 | Very high | 96.1 | Very high | 14 Ų | 14 | 60.9 Ų | 60.9 | 10% | 0.095 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 176.9 | -64.4 | 0 | 0 | 0 | 0 | 111.8 | Q94 Q95 W100 L101 K102 Y109 V113 | Q94-C98 PolarHBondContact O-N 2.64Å; Q94-C98 PolarHBondContact O-SG 3.39Å; Q95-C98 PolarHBondContact O-N 3.43Å; C98-W100 VanDerWaalsContact C-N 3.33Å; C98-W100 PolarHBondContact O-N 2.97Å; C98-L101 PolarHBondContact O-N 3.39Å; C98-K102 PolarHBondContact O-N 2.83Å; C98-Y109 WeakPolarHBondContact O-CE2 3.03Å; C98-V113 HydrophobicContact CB-CG2 3.79Å |
| 99 | K | 96.8 | Very high | 96.2 | Very high | 118 Ų | 118 | 61.3 Ų | 61.3 | 51% | 0.513 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 173.3 | -73.6 | 171.8 | -176.4 | 167.3 | 0 | 111.9 | Q95 D96 V97 K102 K103 | Q95-K99 WeakPolarHBondContact O-CG 3.16Å; Q95-K99 PolarHBondContact O-N 2.99Å; D96-K99 PolarHBondContact O-N 3.14Å; V97-K99 VanDerWaalsContact C-N 3.33Å; V97-K99 PolarHBondContact O-N 3.3Å; K99-K102 PolarHBondContact O-N 3.23Å; K99-K103 PolarHBondContact O-N 3.38Å |
| 100 | W | 96.9 | Very high | 96.2 | Very high | 15 Ų | 15 | 67.6 Ų | 67.6 | 6% | 0.057 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 176.8 | 176.4 | 85.6 | 0 | 0 | 0 | 111.8 | W92 D96 V97 C98 K102 K103 H104 L126 Q151 V152 L155 | W92-W100 HydrophobicContact CE3-CB 4.39Å; W92-W100 HydrophobicContact CH2-CB 4.07Å; W92-W100 AromaticContact CH2-CD1 3.48Å; W92-W100 VanDerWaalsContact CH2-CD1 3.48Å; W92-W100 AromaticContact CH2-CG 3.87Å; W92-W100 HydrophobicContact CH2-CG 3.87Å; W92-W100 HydrophobicContact CZ3-CB 3.57Å; W92-W100 AromaticContact CZ3-CD1 3.61Å; W92-W100 HydrophobicContact CZ3-CD2 4.27Å; W92-W100 AromaticContact CZ3-CG 3.52Å; W92-W100 HydrophobicContact CZ3-CG 3.52Å; D96-W100 WeakPolarHBondContact O-CB 3.43Å; D96-W100 PolarHBondContact O-N 2.94Å; V97-W100 WeakPolarHBondContact O-CB 3.44Å; V97-W100 PolarHBondContact O-N 2.89Å; V97-W100 VanDerWaalsContact O-N 3.14Å; C98-W100 VanDerWaalsContact C-N 3.33Å; C98-W100 PolarHBondContact O-N 2.97Å; W100-K102 VanDerWaalsContact C-N 3.3Å; W100-K102 PolarHBondContact O-N 3.14Å; W100-K103 PolarHBondContact O-N 2.89Å; W100-H104 AromaticContact CD1-CD2 3.21Å; W100-H104 AromaticContact CD1-NE2 3.68Å; W100-H104 AromaticContact CE2-CD2 3.74Å; W100-H104 AromaticContact CE2-CG 3.98Å; W100-H104 AromaticContact CG-CD2 3.85Å; W100-H104 HydrophobicContact CZ2-CB 4.17Å; W100-H104 AromaticContact NE1-CD2 3.12Å; W100-H104 PolarHBondContact NE1-CD2 3.16Å; W100-H104 AromaticContact NE1-CG 3.7Å; W100-H104 AromaticContact NE1-NE2 3.59Å; W100-H104 PolarHBondContact O-CD2 3.2Å; W100-H104 PolarHBondContact O-N 3.37Å; W100-L126 HydrophobicContact CE3-CD2 4.19Å; W100-L126 HydrophobicContact CZ3-CD1 4.11Å; W100-L126 HydrophobicContact CZ3-CD2 4.37Å; W100-Q151 HydrophobicContact CH2-CB 3.59Å; W100-Q151 HydrophobicContact CZ2-CB 3.78Å; W100-Q151 WeakPolarHBondContact CZ2-O 3.26Å; W100-V152 HydrophobicContact CH2-CG2 3.91Å; W100-V152 HydrophobicContact CZ3-CG2 4.31Å; W100-L155 HydrophobicContact CD2-CD2 4.34Å; W100-L155 HydrophobicContact CZ2-CB 4.07Å; W100-L155 HydrophobicContact CZ2-CD2 4.04Å |
| 101 | L | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.8 | -43.6 | 175.1 | -74.8 | 170.2 | 0 | 0 | 0 | 111.8 | V97 C98 K103 H104 C105 Y109 F116 | V97-L101 HydrophobicContact CG1-CD1 4.4Å; V97-L101 PolarHBondContact O-N 3.44Å; C98-L101 PolarHBondContact O-N 3.39Å; L101-K103 PolarHBondContact O-N 3.28Å; L101-H104 PolarHBondContact O-N 3.46Å; L101-C105 CarbonylContact O-C 3.5Å; L101-C105 WeakPolarHBondContact O-CA 3.26Å; L101-C105 PolarHBondContact O-N 3.07Å; L101-Y109 HydrophobicContact CB-CD2 4.19Å; L101-Y109 HydrophobicContact CB-CE2 4.11Å; L101-F116 HydrophobicContact CD1-CB 3.88Å; L101-F116 HydrophobicContact CD1-CD1 3.77Å; L101-F116 HydrophobicContact CD1-CD2 4.02Å; L101-F116 HydrophobicContact CD1-CE1 4.28Å; L101-F116 HydrophobicContact CD1-CE2 4.49Å; L101-F116 HydrophobicContact CD1-CG 3.62Å; L101-F116 HydrophobicContact CD2-CZ 4.49Å |
| 102 | K | 96.2 | Very high | 96.3 | Very high | 139 Ų | 139 | 64.5 Ų | 64.5 | 60% | 0.604 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -57.7 | -35.6 | 177.5 | -168.8 | 175.4 | 179.1 | 177.3 | 0 | 112.6 | C98 K99 W100 Y109 | C98-K102 PolarHBondContact O-N 2.83Å; K99-K102 PolarHBondContact O-N 3.23Å; W100-K102 VanDerWaalsContact C-N 3.3Å; W100-K102 PolarHBondContact O-N 3.14Å; K102-Y109 VanDerWaalsContact CA-CE2 3.46Å; K102-Y109 HydrophobicContact CB-CD2 3.86Å; K102-Y109 HydrophobicContact CB-CE1 4.45Å; K102-Y109 HydrophobicContact CB-CE2 3.46Å; K102-Y109 VanDerWaalsContact CB-CE2 3.46Å; K102-Y109 HydrophobicContact CB-CG 4.49Å; K102-Y109 HydrophobicContact CD-CE1 4.42Å; K102-Y109 HydrophobicContact CG-CD1 4.48Å; K102-Y109 HydrophobicContact CG-CD2 4.34Å; K102-Y109 HydrophobicContact CG-CE1 4.29Å; K102-Y109 HydrophobicContact CG-CE2 4.14Å; K102-Y109 HydrophobicContact CG-CG 4.5Å; K102-Y109 VanDerWaalsContact N-CE2 3.35Å |
| 103 | K | 96.1 | Very high | 96.2 | Very high | 163 Ų | 163 | 64.3 Ų | 64.3 | 71% | 0.709 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -81.9 | -37.6 | -178 | -176.7 | 174.6 | -179.7 | 175.4 | 0 | 112.7 | K99 W100 L101 | K99-K103 PolarHBondContact O-N 3.38Å; W100-K103 PolarHBondContact O-N 2.89Å; L101-K103 PolarHBondContact O-N 3.28Å |
| 104 | H | 95.4 | Very high | 96.2 | Very high | 41 Ų | 41 | 68.2 Ų | 68.2 | 19% | 0.19 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -106 | -18.3 | -167.8 | -70 | -78.3 | 0 | 0 | 0 | 114.3 | W100 L101 Q151 | W100-H104 AromaticContact CD1-CD2 3.21Å; W100-H104 AromaticContact CD1-NE2 3.68Å; W100-H104 AromaticContact CE2-CD2 3.74Å; W100-H104 AromaticContact CE2-CG 3.98Å; W100-H104 AromaticContact CG-CD2 3.85Å; W100-H104 HydrophobicContact CZ2-CB 4.17Å; W100-H104 AromaticContact NE1-CD2 3.12Å; W100-H104 PolarHBondContact NE1-CD2 3.16Å; W100-H104 AromaticContact NE1-CG 3.7Å; W100-H104 AromaticContact NE1-NE2 3.59Å; W100-H104 PolarHBondContact O-CD2 3.2Å; W100-H104 PolarHBondContact O-N 3.37Å; L101-H104 PolarHBondContact O-N 3.46Å; H104-Q151 HydrophobicContact CB-CB 4.48Å; H104-Q151 HydrophobicContact CB-CG 4.41Å; H104-Q151 PolarHBondContact O-NE2 2.9Å |
| 105 | C | 94.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | trans | -132.9 | 62.6 | -179.9 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | L101 H107 Y112 | L101-C105 CarbonylContact O-C 3.5Å; L101-C105 WeakPolarHBondContact O-CA 3.26Å; L101-C105 PolarHBondContact O-N 3.07Å; C105-H107 PolarHBondContact O-N 3.15Å; C105-Y112 HydrophobicContact CB-CD2 3.61Å; C105-Y112 HydrophobicContact CB-CE2 3.59Å | ||
| 106 | P | 93.3 | Very high | 96.2 | Very high | 74 Ų | 74 | 59.5 Ų | 59.5 | 48% | 0.481 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -73.2 | -27.4 | -169.6 | 29.4 | -35.7 | 0 | 0 | 0 | 113.9 | N108 | P106-N108 VanDerWaalsContact C-N 3.31Å; P106-N108 PolarHBondContact O-N 3.37Å |
| 107 | H | 91.3 | Very high | 96.2 | Very high | 156 Ų | 156 | 60 Ų | 60 | 72% | 0.722 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -70.3 | -24.3 | -168.2 | -65.5 | -55.3 | 0 | 0 | 0 | 114.1 | C105 | C105-H107 PolarHBondContact O-N 3.15Š|
| 108 | N | 93.6 | Very high | 96.2 | Very high | 61 Ų | 61 | 67.3 Ų | 67.3 | 33% | 0.326 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -136.9 | 34.8 | 177.3 | -67.2 | -77.7 | 0 | 0 | 0 | 111.6 | P106 L110 T111 Y112 L144 | P106-N108 VanDerWaalsContact C-N 3.31Å; P106-N108 PolarHBondContact O-N 3.37Å; N108-L110 VanDerWaalsContact C-N 3.25Å; N108-L110 PolarHBondContact O-N 3.47Å; N108-L110 VanDerWaalsContact O-N 3.14Å; N108-T111 PolarHBondContact O-N 3.44Å; N108-T111 VanDerWaalsContact O-N 3.14Å; N108-Y112 HydrophobicContact CB-CD2 4.36Å; N108-Y112 HydrophobicContact CB-CE2 3.74Å; N108-Y112 VanDerWaalsContact O-CD2 3.25Å; N108-Y112 WeakPolarHBondContact O-CD2 3.48Å; N108-Y112 PolarHBondContact O-N 2.84Å; N108-L144 HydrophobicContact CB-CD2 4.05Å; N108-L144 VanDerWaalsContact ND2-CD2 3.27Å; N108-L144 WeakPolarHBondContact ND2-CD2 3.36Å |
| 109 | Y | 95.1 | Very high | 96.2 | Very high | 59 Ų | 59 | 70.5 Ų | 70.5 | 23% | 0.231 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -53.4 | -39 | -172.3 | 171.6 | -111.5 | 0 | 0 | 0 | 113.8 | C98 L101 K102 Y112 V113 | C98-Y109 WeakPolarHBondContact O-CE2 3.03Å; L101-Y109 HydrophobicContact CB-CD2 4.19Å; L101-Y109 HydrophobicContact CB-CE2 4.11Å; K102-Y109 VanDerWaalsContact CA-CE2 3.46Å; K102-Y109 HydrophobicContact CB-CD2 3.86Å; K102-Y109 HydrophobicContact CB-CE1 4.45Å; K102-Y109 HydrophobicContact CB-CE2 3.46Å; K102-Y109 VanDerWaalsContact CB-CE2 3.46Å; K102-Y109 HydrophobicContact CB-CG 4.49Å; K102-Y109 HydrophobicContact CD-CE1 4.42Å; K102-Y109 HydrophobicContact CG-CD1 4.48Å; K102-Y109 HydrophobicContact CG-CD2 4.34Å; K102-Y109 HydrophobicContact CG-CE1 4.29Å; K102-Y109 HydrophobicContact CG-CE2 4.14Å; K102-Y109 HydrophobicContact CG-CG 4.5Å; K102-Y109 VanDerWaalsContact N-CE2 3.35Å; Y109-Y112 PolarHBondContact O-N 3.17Å; Y109-V113 HydrophobicContact CD2-CB 4.42Å; Y109-V113 HydrophobicContact CE1-CB 4.36Å; Y109-V113 HydrophobicContact CE1-CG1 4.22Å; Y109-V113 HydrophobicContact CE2-CB 3.88Å; Y109-V113 HydrophobicContact CE2-CG2 4.11Å; Y109-V113 WeakPolarHBondContact O-CB 3.45Å; Y109-V113 PolarHBondContact O-N 3.02Å |
| 110 | L | 96.4 | Very high | 96.3 | Very high | 132 Ų | 132 | 67.8 Ų | 67.8 | 69% | 0.691 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.3 | -46.4 | -179.5 | -67 | 179.8 | 0 | 0 | 0 | 112 | N108 Y112 V113 E114 | N108-L110 VanDerWaalsContact C-N 3.25Å; N108-L110 PolarHBondContact O-N 3.47Å; N108-L110 VanDerWaalsContact O-N 3.14Å; L110-Y112 VanDerWaalsContact C-N 3.3Å; L110-Y112 PolarHBondContact O-N 2.78Å; L110-V113 WeakPolarHBondContact O-CG1 3.11Å; L110-V113 PolarHBondContact O-N 3.06Å; L110-E114 WeakPolarHBondContact O-CB 3.46Å; L110-E114 PolarHBondContact O-N 3.43Å |
| 111 | T | 96.8 | Very high | 96.4 | Very high | 60 Ų | 60 | 67.7 Ų | 67.7 | 37% | 0.368 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 176 | -50.6 | 0 | 0 | 0 | 0 | 111.3 | N108 A115 | N108-T111 PolarHBondContact O-N 3.44Å; N108-T111 VanDerWaalsContact O-N 3.14Å; T111-A115 PolarHBondContact O-N 2.81Å |
| 112 | Y | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.9 | -46.3 | -180 | -56.4 | -40.5 | 0 | 0 | 0 | 112.1 | C105 N108 Y109 L110 E114 A115 F116 I139 L144 E147 V148 | C105-Y112 HydrophobicContact CB-CD2 3.61Å; C105-Y112 HydrophobicContact CB-CE2 3.59Å; N108-Y112 HydrophobicContact CB-CD2 4.36Å; N108-Y112 HydrophobicContact CB-CE2 3.74Å; N108-Y112 VanDerWaalsContact O-CD2 3.25Å; N108-Y112 WeakPolarHBondContact O-CD2 3.48Å; N108-Y112 PolarHBondContact O-N 2.84Å; Y109-Y112 PolarHBondContact O-N 3.17Å; L110-Y112 VanDerWaalsContact C-N 3.3Å; L110-Y112 PolarHBondContact O-N 2.78Å; Y112-E114 VanDerWaalsContact C-N 3.31Å; Y112-E114 PolarHBondContact O-N 3.1Å; Y112-A115 PolarHBondContact O-N 3.24Å; Y112-F116 VanDerWaalsContact O-CB 3.3Å; Y112-F116 WeakPolarHBondContact O-CB 3.43Å; Y112-F116 WeakPolarHBondContact O-CD2 3.47Å; Y112-F116 PolarHBondContact O-N 3.07Å; Y112-I139 HydrophobicContact CD1-CD1 3.91Å; Y112-I139 HydrophobicContact CE1-CD1 4.37Å; Y112-I139 HydrophobicContact CE1-CG2 4.44Å; Y112-L144 HydrophobicContact CE1-CB 4.08Å; Y112-L144 WeakPolarHBondContact OH-CA 3.44Å; Y112-L144 WeakPolarHBondContact OH-CD2 3.3Å; Y112-L144 PolarHBondContact OH-O 3.32Å; Y112-E147 PolarHBondContact OH-OE2 3.3Å; Y112-V148 HydrophobicContact CD1-CG2 3.71Å; Y112-V148 HydrophobicContact CD2-CG2 4.37Å; Y112-V148 HydrophobicContact CE1-CG2 3.42Å; Y112-V148 VanDerWaalsContact CE1-CG2 3.42Å; Y112-V148 HydrophobicContact CE2-CG2 4.14Å; Y112-V148 HydrophobicContact CG-CG2 4.18Å |
| 113 | V | 96.9 | Very high | 96.5 | Very high | 27 Ų | 27 | 63.7 Ų | 63.7 | 16% | 0.164 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.8 | -34.7 | -177.6 | 82.3 | 0 | 0 | 0 | 0 | 111.4 | C98 Y109 L110 S117 | C98-V113 HydrophobicContact CB-CG2 3.79Å; Y109-V113 HydrophobicContact CD2-CB 4.42Å; Y109-V113 HydrophobicContact CE1-CB 4.36Å; Y109-V113 HydrophobicContact CE1-CG1 4.22Å; Y109-V113 HydrophobicContact CE2-CB 3.88Å; Y109-V113 HydrophobicContact CE2-CG2 4.11Å; Y109-V113 WeakPolarHBondContact O-CB 3.45Å; Y109-V113 PolarHBondContact O-N 3.02Å; L110-V113 WeakPolarHBondContact O-CG1 3.11Å; L110-V113 PolarHBondContact O-N 3.06Å; V113-S117 WeakPolarHBondContact O-CA 3.47Å; V113-S117 WeakPolarHBondContact O-CB 3.5Å; V113-S117 PolarHBondContact O-N 3.14Å; V113-S117 PolarHBondContact O-OG 3.4Å |
| 114 | E | 97.3 | Very high | 96.6 | Very high | 144 Ų | 144 | 64 Ų | 64 | 67% | 0.673 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60.5 | -56.5 | 174.3 | -178.5 | 176.5 | -162.3 | 0 | 0 | 110.6 | L110 Y112 F116 S117 H118 | L110-E114 WeakPolarHBondContact O-CB 3.46Å; L110-E114 PolarHBondContact O-N 3.43Å; Y112-E114 VanDerWaalsContact C-N 3.31Å; Y112-E114 PolarHBondContact O-N 3.1Å; E114-F116 PolarHBondContact O-N 3.06Å; E114-S117 PolarHBondContact O-N 2.92Å; E114-H118 VanDerWaalsContact O-CB 3.22Å; E114-H118 WeakPolarHBondContact O-CB 3.25Å; E114-H118 PolarHBondContact O-N 2.95Å |
| 115 | A | 97.8 | Very high | 96.7 | Very high | 10 Ų | 10 | 63.8 Ų | 63.8 | 8% | 0.083 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.1 | -48.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T111 Y112 S117 H118 H119 M137 I139 | T111-A115 PolarHBondContact O-N 2.81Å; Y112-A115 PolarHBondContact O-N 3.24Å; A115-S117 VanDerWaalsContact C-N 3.35Å; A115-S117 PolarHBondContact O-N 3.41Å; A115-H118 PolarHBondContact O-N 3.27Å; A115-H119 PolarHBondContact O-CD2 3.36Å; A115-H119 PolarHBondContact O-N 3.17Å; A115-M137 HydrophobicContact CB-CE 4.39Å; A115-M137 WeakPolarHBondContact CB-O 3.29Å; A115-I139 HydrophobicContact CB-CD1 4.37Å; A115-I139 HydrophobicContact CB-CG1 4.3Å |
| 116 | F | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -69.8 | -32.8 | -177 | -80.4 | -117.7 | 0 | 0 | 0 | 112.7 | V97 L101 Y112 E114 A120 I121 L126 L129 L134 M137 I139 V148 | V97-F116 HydrophobicContact CG1-CD1 3.78Å; V97-F116 HydrophobicContact CG1-CE1 4.33Å; L101-F116 HydrophobicContact CD1-CB 3.88Å; L101-F116 HydrophobicContact CD1-CD1 3.77Å; L101-F116 HydrophobicContact CD1-CD2 4.02Å; L101-F116 HydrophobicContact CD1-CE1 4.28Å; L101-F116 HydrophobicContact CD1-CE2 4.49Å; L101-F116 HydrophobicContact CD1-CG 3.62Å; L101-F116 HydrophobicContact CD2-CZ 4.49Å; Y112-F116 VanDerWaalsContact O-CB 3.3Å; Y112-F116 WeakPolarHBondContact O-CB 3.43Å; Y112-F116 WeakPolarHBondContact O-CD2 3.47Å; Y112-F116 PolarHBondContact O-N 3.07Å; E114-F116 PolarHBondContact O-N 3.06Å; F116-A120 PolarHBondContact O-N 2.96Å; F116-I121 HydrophobicContact CB-CB 4.26Å; F116-I121 HydrophobicContact CB-CG1 4.21Å; F116-I121 HydrophobicContact CD1-CB 3.67Å; F116-I121 HydrophobicContact CD1-CG1 3.86Å; F116-I121 HydrophobicContact CD1-CG2 3.61Å; F116-I121 HydrophobicContact CE1-CB 4.41Å; F116-I121 HydrophobicContact CE1-CG2 3.91Å; F116-I121 HydrophobicContact CG-CB 4.26Å; F116-I121 HydrophobicContact CG-CG1 4.11Å; F116-I121 PolarHBondContact O-N 3.36Å; F116-L126 HydrophobicContact CE1-CD1 3.71Å; F116-L129 HydrophobicContact CE1-CD1 3.5Å; F116-L129 HydrophobicContact CZ-CD1 3.57Å; F116-L134 HydrophobicContact CE2-CD2 3.86Å; F116-L134 HydrophobicContact CZ-CD2 3.75Å; F116-M137 HydrophobicContact CD2-CE 3.68Å; F116-M137 HydrophobicContact CE2-CE 3.9Å; F116-M137 HydrophobicContact CG-CE 4.03Å; F116-M137 HydrophobicContact CZ-CE 4.4Å; F116-I139 HydrophobicContact CD2-CD1 4.49Å; F116-I139 HydrophobicContact CE2-CD1 3.89Å; F116-V148 HydrophobicContact CE2-CG1 4.5Å; F116-V148 HydrophobicContact CZ-CG1 3.94Å |
| 117 | S | 97.7 | Very high | 97.1 | Very high | 46 Ų | 46 | 62.2 Ų | 62.2 | 32% | 0.322 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -71.9 | -45 | 174.9 | -58.2 | 0 | 0 | 0 | 0 | 110.8 | Q94 V113 E114 A115 H119 A120 | Q94-S117 VanDerWaalsContact NE2-CA 3.29Å; Q94-S117 PolarHBondContact NE2-O 3.3Å; V113-S117 WeakPolarHBondContact O-CA 3.47Å; V113-S117 WeakPolarHBondContact O-CB 3.5Å; V113-S117 PolarHBondContact O-N 3.14Å; V113-S117 PolarHBondContact O-OG 3.4Å; E114-S117 PolarHBondContact O-N 2.92Å; A115-S117 VanDerWaalsContact C-N 3.35Å; A115-S117 PolarHBondContact O-N 3.41Å; S117-H119 VanDerWaalsContact C-N 3.26Å; S117-H119 PolarHBondContact O-N 2.89Å; S117-A120 PolarHBondContact O-N 2.88Å; S117-A120 VanDerWaalsContact O-N 3.12Å |
| 118 | H | 98.1 | Very high | 97.4 | Very high | 155 Ų | 155 | 63.3 Ų | 63.3 | 72% | 0.718 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -58 | -40.7 | 177.7 | -177 | -138.6 | 0 | 0 | 0 | 112.1 | E114 A115 A120 | E114-H118 VanDerWaalsContact O-CB 3.22Å; E114-H118 WeakPolarHBondContact O-CB 3.25Å; E114-H118 PolarHBondContact O-N 2.95Å; A115-H118 PolarHBondContact O-N 3.27Å; H118-A120 PolarHBondContact O-N 3.25Å |
| 119 | H | 98.4 | Very high | 97.5 | Very high | 80 Ų | 80 | 61.5 Ų | 61.5 | 37% | 0.37 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 8.5 | 179.8 | -70.6 | -77.7 | 0 | 0 | 0 | 115 | A115 S117 I121 M137 | A115-H119 PolarHBondContact O-CD2 3.36Å; A115-H119 PolarHBondContact O-N 3.17Å; S117-H119 VanDerWaalsContact C-N 3.26Å; S117-H119 PolarHBondContact O-N 2.89Å; H119-I121 VanDerWaalsContact C-N 3.25Å; H119-I121 HydrophobicContact CB-CD1 3.78Å; H119-I121 HydrophobicContact CB-CG1 3.99Å; H119-I121 PolarHBondContact O-N 3.41Å; H119-M137 HydrophobicContact CB-CE 4.17Å; H119-M137 HydrophobicContact CB-CG 4.37Å; H119-M137 WeakPolarHBondContact NE2-CA 3.44Å |
| 120 | A | 97.8 | Very high | 97.6 | Very high | 61 Ų | 61 | 61.6 Ų | 61.6 | 50% | 0.504 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 40 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q94 F116 S117 H118 T122 | Q94-A120 VanDerWaalsContact NE2-CA 3.35Å; F116-A120 PolarHBondContact O-N 2.96Å; S117-A120 PolarHBondContact O-N 2.88Å; S117-A120 VanDerWaalsContact O-N 3.12Å; H118-A120 PolarHBondContact O-N 3.25Å; A120-T122 PolarHBondContact O-N 3.08Å |
| 121 | I | 98.5 | Very high | 97.7 | Very high | 13 Ų | 13 | 56.3 Ų | 56.3 | 7% | 0.067 | 29% | 0.29 | C | S | . | . | trans | -68 | 111 | -174.3 | -56.6 | -58.8 | 0 | 0 | 0 | 110.6 | Q94 V97 F116 H119 A125 L126 L129 M137 | Q94-I121 WeakPolarHBondContact CA-O 3.22Å; V97-I121 HydrophobicContact CG1-CG2 4.37Å; F116-I121 HydrophobicContact CB-CB 4.26Å; F116-I121 HydrophobicContact CB-CG1 4.21Å; F116-I121 HydrophobicContact CD1-CB 3.67Å; F116-I121 HydrophobicContact CD1-CG1 3.86Å; F116-I121 HydrophobicContact CD1-CG2 3.61Å; F116-I121 HydrophobicContact CE1-CB 4.41Å; F116-I121 HydrophobicContact CE1-CG2 3.91Å; F116-I121 HydrophobicContact CG-CB 4.26Å; F116-I121 HydrophobicContact CG-CG1 4.11Å; F116-I121 PolarHBondContact O-N 3.36Å; H119-I121 VanDerWaalsContact C-N 3.25Å; H119-I121 HydrophobicContact CB-CD1 3.78Å; H119-I121 HydrophobicContact CB-CG1 3.99Å; H119-I121 PolarHBondContact O-N 3.41Å; I121-A125 HydrophobicContact CD1-CB 4.42Å; I121-A125 HydrophobicContact CG2-CB 4.03Å; I121-L126 HydrophobicContact CG2-CB 4.27Å; I121-L129 HydrophobicContact CG2-CD1 4.4Å; I121-M137 HydrophobicContact CD1-CE 3.89Å; I121-M137 HydrophobicContact CD1-SD 3.91Å; I121-M137 HydrophobicContact CG1-CE 3.59Å; I121-M137 HydrophobicContact CG1-SD 4.29Å | ||
| 122 | T | 98.4 | Very high | 97.7 | Very high | 56 Ų | 56 | 58.8 Ų | 58.8 | 34% | 0.344 | 30% | 0.298 | S | S | . | . | trans | -90.2 | 170.1 | 171.2 | 58.8 | 0 | 0 | 0 | 0 | 111.1 | A120 R124 A125 L126 | A120-T122 PolarHBondContact O-N 3.08Å; T122-R124 VanDerWaalsContact C-N 3.26Å; T122-R124 PolarHBondContact O-N 3.06Å; T122-A125 WeakPolarHBondContact O-CB 3.47Å; T122-A125 PolarHBondContact O-N 3.38Å; T122-L126 PolarHBondContact O-N 2.88Å | ||
| 123 | G | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.9 | -34.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | V89 W92 A125 L126 L127 | V89-G123 VanDerWaalsContact O-CA 3.29Å; V89-G123 WeakPolarHBondContact O-CA 3.41Å; W92-G123 PolarHBondContact O-N 3.07Å; G123-A125 VanDerWaalsContact C-N 3.31Å; G123-A125 PolarHBondContact O-N 3.47Å; G123-L126 WeakPolarHBondContact O-CB 3.24Å; G123-L126 PolarHBondContact O-N 3.14Å; G123-L127 VanDerWaalsContact O-CG 3.3Å; G123-L127 WeakPolarHBondContact O-CG 3.47Å; G123-L127 PolarHBondContact O-N 2.9Å; G123-L127 VanDerWaalsContact O-N 3.08Å |
| 124 | R | 97.9 | Very high | 97.8 | Very high | 170 Ų | 170 | 61.3 Ų | 61.3 | 64% | 0.642 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.7 | -39.4 | 172.9 | -63.6 | -176.2 | 65.8 | -156.4 | 2.7 | 112.6 | V90 T122 R128 | V90-R124 HydrophobicContact CG2-CG 3.77Å; V90-R124 VanDerWaalsContact O-CG 3.23Å; V90-R124 WeakPolarHBondContact O-CG 3.22Å; T122-R124 VanDerWaalsContact C-N 3.26Å; T122-R124 PolarHBondContact O-N 3.06Å; R124-R128 WeakPolarHBondContact O-CG 3.48Å |
| 125 | A | 98.2 | Very high | 97.9 | Very high | 36 Ų | 36 | 59 Ų | 59 | 30% | 0.298 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -72.4 | -43.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | I121 T122 G123 L127 R128 L129 | I121-A125 HydrophobicContact CD1-CB 4.42Å; I121-A125 HydrophobicContact CG2-CB 4.03Å; T122-A125 WeakPolarHBondContact O-CB 3.47Å; T122-A125 PolarHBondContact O-N 3.38Å; G123-A125 VanDerWaalsContact C-N 3.31Å; G123-A125 PolarHBondContact O-N 3.47Å; A125-L127 VanDerWaalsContact C-N 3.34Å; A125-L127 PolarHBondContact O-N 3.05Å; A125-R128 CarbonylContact O-C 3.6Å; A125-R128 WeakPolarHBondContact O-CA 3.27Å; A125-R128 PolarHBondContact O-N 3.32Å; A125-L129 PolarHBondContact O-N 3.48Å |
| 126 | L | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -51.7 | -49.8 | 176.8 | -178 | 70.4 | 0 | 0 | 0 | 111.8 | W92 V97 W100 F116 I121 T122 G123 R128 L129 V152 L155 | W92-L126 HydrophobicContact CE3-CD2 4.39Å; W92-L126 HydrophobicContact CZ3-CD2 4.32Å; V97-L126 HydrophobicContact CG1-CD1 4.3Å; V97-L126 HydrophobicContact CG1-CD2 4.34Å; V97-L126 HydrophobicContact CG2-CD2 4.27Å; W100-L126 HydrophobicContact CE3-CD2 4.19Å; W100-L126 HydrophobicContact CZ3-CD1 4.11Å; W100-L126 HydrophobicContact CZ3-CD2 4.37Å; F116-L126 HydrophobicContact CE1-CD1 3.71Å; I121-L126 HydrophobicContact CG2-CB 4.27Å; T122-L126 PolarHBondContact O-N 2.88Å; G123-L126 WeakPolarHBondContact O-CB 3.24Å; G123-L126 PolarHBondContact O-N 3.14Å; L126-R128 PolarHBondContact O-N 2.85Å; L126-L129 HydrophobicContact CD1-CD1 3.97Å; L126-L129 WeakPolarHBondContact O-CB 3.35Å; L126-L129 PolarHBondContact O-N 3.27Å; L126-L129 VanDerWaalsContact O-N 3.16Å; L126-V152 HydrophobicContact CD1-CG2 3.69Å; L126-V152 HydrophobicContact CG-CG2 4.2Å; L126-V152 WeakPolarHBondContact O-CG1 3.33Å; L126-L155 HydrophobicContact CD2-CD2 3.64Å |
| 127 | L | 97 | Very high | 97.8 | Very high | 40 Ų | 40 | 67.6 Ų | 67.6 | 21% | 0.209 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -8.7 | 179.1 | -65.9 | 171.7 | 0 | 0 | 0 | 114.1 | V89 G123 A125 Q156 | V89-L127 HydrophobicContact CB-CD1 4.18Å; V89-L127 HydrophobicContact CB-CD2 4.4Å; V89-L127 HydrophobicContact CG1-CD1 3.82Å; V89-L127 HydrophobicContact CG1-CD2 3.8Å; V89-L127 HydrophobicContact CG1-CG 3.72Å; G123-L127 VanDerWaalsContact O-CG 3.3Å; G123-L127 WeakPolarHBondContact O-CG 3.47Å; G123-L127 PolarHBondContact O-N 2.9Å; G123-L127 VanDerWaalsContact O-N 3.08Å; A125-L127 VanDerWaalsContact C-N 3.34Å; A125-L127 PolarHBondContact O-N 3.05Å; L127-Q156 HydrophobicContact CD2-CG 3.6Å; L127-Q156 PolarHBondContact O-NE2 3.02Å |
| 128 | R | 97 | Very high | 97.8 | Very high | 179 Ų | 179 | 67.9 Ų | 67.9 | 68% | 0.675 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.5 | 7.4 | -179.5 | -61.9 | 177.5 | 69.4 | -173 | 2.6 | 112.6 | R124 A125 L126 K133 | R124-R128 WeakPolarHBondContact O-CG 3.48Å; A125-R128 CarbonylContact O-C 3.6Å; A125-R128 WeakPolarHBondContact O-CA 3.27Å; A125-R128 PolarHBondContact O-N 3.32Å; L126-R128 PolarHBondContact O-N 2.85Å; R128-K133 PolarHBondContact O-NZ 3.24Å |
| 129 | L | 97.1 | Very high | 97.7 | Very high | 23 Ų | 23 | 60.6 Ų | 60.6 | 12% | 0.12 | 30% | 0.303 | C | S | . | . | trans | -68.5 | 151.5 | 177.4 | -71.1 | 178.1 | 0 | 0 | 0 | 110.9 | F116 I121 A125 L126 K133 L134 M137 | F116-L129 HydrophobicContact CE1-CD1 3.5Å; F116-L129 HydrophobicContact CZ-CD1 3.57Å; I121-L129 HydrophobicContact CG2-CD1 4.4Å; A125-L129 PolarHBondContact O-N 3.48Å; L126-L129 HydrophobicContact CD1-CD1 3.97Å; L126-L129 WeakPolarHBondContact O-CB 3.35Å; L126-L129 PolarHBondContact O-N 3.27Å; L126-L129 VanDerWaalsContact O-N 3.16Å; L129-K133 HydrophobicContact CD2-CB 4.14Å; L129-K133 HydrophobicContact CD2-CD 4.44Å; L129-L134 HydrophobicContact CD1-CD2 3.98Å; L129-M137 HydrophobicContact CD2-SD 4.03Å | ||
| 130 | N | 97.3 | Very high | 97.6 | Very high | 61 Ų | 61 | 61.3 Ų | 61.3 | 33% | 0.326 | 31% | 0.313 | S | S | . | . | trans | -143.9 | 173.6 | 172.6 | 64.8 | 18.5 | 0 | 0 | 0 | 108.3 | E132 K133 L134 | N130-E132 VanDerWaalsContact C-N 3.34Å; N130-E132 PolarHBondContact O-N 3.44Å; N130-E132 PolarHBondContact OD1-N 2.89Å; N130-K133 PolarHBondContact O-N 3.39Å; N130-K133 WeakPolarHBondContact OD1-CB 3.47Å; N130-K133 WeakPolarHBondContact OD1-CG 3.35Å; N130-K133 PolarHBondContact OD1-N 2.92Å; N130-L134 WeakPolarHBondContact O-CG 3.44Å; N130-L134 PolarHBondContact O-N 3.46Å; N130-L134 VanDerWaalsContact O-N 3.1Å | ||
| 131 | G | 97.6 | Very high | 97.6 | Very high | 21 Ų | 21 | 64.3 Ų | 64.3 | 22% | 0.216 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -55.6 | -47.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K133 L134 E135 R145 | G131-K133 VanDerWaalsContact C-N 3.32Å; G131-K133 PolarHBondContact O-N 3.18Å; G131-L134 PolarHBondContact O-N 2.89Å; G131-E135 PolarHBondContact O-N 2.81Å; G131-R145 VanDerWaalsContact O-CD 3.26Å; G131-R145 WeakPolarHBondContact O-CD 3.23Å |
| 132 | E | 98 | Very high | 97.5 | Very high | 112 Ų | 112 | 67.9 Ų | 67.9 | 52% | 0.523 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.2 | -35.9 | -179.2 | -55.9 | -178.1 | -172.1 | 0 | 0 | 113.4 | N130 R136 | N130-E132 VanDerWaalsContact C-N 3.34Å; N130-E132 PolarHBondContact O-N 3.44Å; N130-E132 PolarHBondContact OD1-N 2.89Å; E132-R136 VanDerWaalsContact CB-NH1 3.27Å; E132-R136 WeakPolarHBondContact O-CG 3.3Å; E132-R136 PolarHBondContact O-N 2.92Å; E132-R136 PolarHBondContact O-NH1 3.15Å; E132-R136 IonicContact OE2-CZ 3.61Å; E132-R136 IonicContact OE2-NH1 3.38Å; E132-R136 PolarHBondContact OE2-NH1 3.18Å; E132-R136 IonicContact OE2-NH2 2.89Å; E132-R136 PolarHBondContact OE2-NH2 2.74Å |
| 133 | K | 97.8 | Very high | 97.5 | Very high | 81 Ų | 81 | 68.8 Ų | 68.8 | 35% | 0.352 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.6 | -42.1 | 176.7 | -74.5 | 172.2 | -172 | 177.1 | 0 | 110.6 | R128 L129 N130 G131 E135 R136 M137 | R128-K133 PolarHBondContact O-NZ 3.24Å; L129-K133 HydrophobicContact CD2-CB 4.14Å; L129-K133 HydrophobicContact CD2-CD 4.44Å; N130-K133 PolarHBondContact O-N 3.39Å; N130-K133 WeakPolarHBondContact OD1-CB 3.47Å; N130-K133 WeakPolarHBondContact OD1-CG 3.35Å; N130-K133 PolarHBondContact OD1-N 2.92Å; G131-K133 VanDerWaalsContact C-N 3.32Å; G131-K133 PolarHBondContact O-N 3.18Å; K133-E135 VanDerWaalsContact C-N 3.3Å; K133-E135 PolarHBondContact O-N 3.41Å; K133-R136 PolarHBondContact O-N 3.46Å; K133-M137 WeakPolarHBondContact O-CG 3.46Å; K133-M137 PolarHBondContact O-N 2.9Å |
| 134 | L | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 175.8 | -67.7 | 171.3 | 0 | 0 | 0 | 111.5 | F116 L129 N130 G131 M137 G138 I139 R145 V148 L149 | F116-L134 HydrophobicContact CE2-CD2 3.86Å; F116-L134 HydrophobicContact CZ-CD2 3.75Å; L129-L134 HydrophobicContact CD1-CD2 3.98Å; N130-L134 WeakPolarHBondContact O-CG 3.44Å; N130-L134 PolarHBondContact O-N 3.46Å; N130-L134 VanDerWaalsContact O-N 3.1Å; G131-L134 PolarHBondContact O-N 2.89Å; L134-M137 CarbonylContact O-C 3.48Å; L134-M137 WeakPolarHBondContact O-CB 3.48Å; L134-M137 PolarHBondContact O-N 2.85Å; L134-M137 VanDerWaalsContact O-N 3.16Å; L134-G138 PolarHBondContact O-N 3.05Å; L134-I139 HydrophobicContact CB-CB 4.37Å; L134-I139 HydrophobicContact CB-CD1 4.5Å; L134-I139 HydrophobicContact CD2-CD1 3.96Å; L134-I139 WeakPolarHBondContact O-CB 3.45Å; L134-I139 PolarHBondContact O-N 3.12Å; L134-R145 HydrophobicContact CB-CG 3.92Å; L134-R145 HydrophobicContact CD1-CB 4.29Å; L134-R145 HydrophobicContact CD1-CG 4.4Å; L134-V148 HydrophobicContact CD1-CB 4.26Å; L134-V148 HydrophobicContact CD1-CG1 4.15Å; L134-V148 HydrophobicContact CD2-CG1 4.16Å; L134-L149 HydrophobicContact CD1-CD1 4.3Å; L134-L149 HydrophobicContact CD1-CD2 3.72Å; L134-L149 HydrophobicContact CD1-CG 3.66Å |
| 135 | E | 98 | Very high | 97.4 | Very high | 94 Ų | 94 | 62.8 Ų | 62.8 | 44% | 0.439 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 175 | -173.6 | 173.2 | -172.6 | 0 | 0 | 111.9 | G131 K133 M137 G138 I139 R145 | G131-E135 PolarHBondContact O-N 2.81Å; K133-E135 VanDerWaalsContact C-N 3.3Å; K133-E135 PolarHBondContact O-N 3.41Å; E135-M137 PolarHBondContact O-N 2.92Å; E135-G138 PolarHBondContact O-N 2.97Å; E135-I139 WeakPolarHBondContact CA-O 3.39Å; E135-R145 IonicContact OE2-NH1 3.89Å |
| 136 | R | 97.8 | Very high | 97.4 | Very high | 172 Ų | 172 | 65.8 Ų | 65.8 | 65% | 0.649 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.8 | -24 | 174.2 | -69.2 | -178.5 | -161.9 | 97.8 | -2.6 | 113.2 | E132 K133 | E132-R136 VanDerWaalsContact CB-NH1 3.27Å; E132-R136 WeakPolarHBondContact O-CG 3.3Å; E132-R136 PolarHBondContact O-N 2.92Å; E132-R136 PolarHBondContact O-NH1 3.15Å; E132-R136 IonicContact OE2-CZ 3.61Å; E132-R136 IonicContact OE2-NH1 3.38Å; E132-R136 PolarHBondContact OE2-NH1 3.18Å; E132-R136 IonicContact OE2-NH2 2.89Å; E132-R136 PolarHBondContact OE2-NH2 2.74Å; K133-R136 PolarHBondContact O-N 3.46Å |
| 137 | M | 97.6 | Very high | 97.3 | Very high | 20 Ų | 20 | 67.8 Ų | 67.8 | 10% | 0.099 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 0 | 173.5 | -68.8 | 169.9 | 54.1 | 0 | 0 | 113.6 | A115 F116 H119 I121 L129 K133 L134 E135 | A115-M137 HydrophobicContact CB-CE 4.39Å; A115-M137 WeakPolarHBondContact CB-O 3.29Å; F116-M137 HydrophobicContact CD2-CE 3.68Å; F116-M137 HydrophobicContact CE2-CE 3.9Å; F116-M137 HydrophobicContact CG-CE 4.03Å; F116-M137 HydrophobicContact CZ-CE 4.4Å; H119-M137 HydrophobicContact CB-CE 4.17Å; H119-M137 HydrophobicContact CB-CG 4.37Å; H119-M137 WeakPolarHBondContact NE2-CA 3.44Å; I121-M137 HydrophobicContact CD1-CE 3.89Å; I121-M137 HydrophobicContact CD1-SD 3.91Å; I121-M137 HydrophobicContact CG1-CE 3.59Å; I121-M137 HydrophobicContact CG1-SD 4.29Å; L129-M137 HydrophobicContact CD2-SD 4.03Å; K133-M137 WeakPolarHBondContact O-CG 3.46Å; K133-M137 PolarHBondContact O-N 2.9Å; L134-M137 CarbonylContact O-C 3.48Å; L134-M137 WeakPolarHBondContact O-CB 3.48Å; L134-M137 PolarHBondContact O-N 2.85Å; L134-M137 VanDerWaalsContact O-N 3.16Å; E135-M137 PolarHBondContact O-N 2.92Å |
| 138 | G | 96.1 | Very high | 97.3 | Very high | 51 Ų | 51 | 65.9 Ų | 65.9 | 53% | 0.526 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99 | 1.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | L134 E135 V140 | L134-G138 PolarHBondContact O-N 3.05Å; E135-G138 PolarHBondContact O-N 2.97Å; G138-V140 VanDerWaalsContact C-N 3.34Å; G138-V140 PolarHBondContact O-N 3.38Å; G138-V140 VanDerWaalsContact O-N 3.12Å |
| 139 | I | 96.8 | Very high | 97.3 | Very high | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | trans | -88 | 78.1 | 174.5 | -53.5 | 170.1 | 0 | 0 | 0 | 108.3 | Y112 A115 F116 L134 E135 L144 R145 | Y112-I139 HydrophobicContact CD1-CD1 3.91Å; Y112-I139 HydrophobicContact CE1-CD1 4.37Å; Y112-I139 HydrophobicContact CE1-CG2 4.44Å; A115-I139 HydrophobicContact CB-CD1 4.37Å; A115-I139 HydrophobicContact CB-CG1 4.3Å; F116-I139 HydrophobicContact CD2-CD1 4.49Å; F116-I139 HydrophobicContact CE2-CD1 3.89Å; L134-I139 HydrophobicContact CB-CB 4.37Å; L134-I139 HydrophobicContact CB-CD1 4.5Å; L134-I139 HydrophobicContact CD2-CD1 3.96Å; L134-I139 WeakPolarHBondContact O-CB 3.45Å; L134-I139 PolarHBondContact O-N 3.12Å; E135-I139 WeakPolarHBondContact CA-O 3.39Å; I139-L144 HydrophobicContact CG2-CB 3.73Å; I139-R145 HydrophobicContact CB-CG 4.23Å; I139-R145 HydrophobicContact CG2-CG 3.72Å; I139-R145 VanDerWaalsContact O-CD 3.26Å; I139-R145 WeakPolarHBondContact O-CD 3.44Å; I139-R145 WeakPolarHBondContact O-CG 2.85Å; I139-R145 PolarHBondContact O-NH1 3.42Å | ||
| 140 | V | 96.3 | Very high | 97.4 | Very high | 96 Ų | 96 | 63.8 Ų | 63.8 | 58% | 0.582 | 33% | 0.329 | S | S | * | . | trans | -80.5 | -26.5 | -172.1 | -174.2 | 0 | 0 | 0 | 0 | 113 | G138 D142 R145 | G138-V140 VanDerWaalsContact C-N 3.34Å; G138-V140 PolarHBondContact O-N 3.38Å; G138-V140 VanDerWaalsContact O-N 3.12Å; V140-D142 PolarHBondContact O-N 2.83Å; V140-R145 PolarHBondContact O-NH1 3.32Å | ||
| 141 | Q | 97.6 | Very high | 97.4 | Very high | 124 Ų | 124 | 62.6 Ų | 62.6 | 58% | 0.579 | 32% | 0.321 | S | S | * | . | trans | -73.6 | 128.7 | 177.5 | -66.7 | -171.8 | 21.3 | 0 | 0 | 111.2 | S143 L144 R145 | Q141-S143 PolarHBondContact O-N 3.25Å; Q141-L144 HydrophobicContact CB-CB 4.31Å; Q141-L144 HydrophobicContact CB-CD1 4Å; Q141-L144 HydrophobicContact CB-CG 3.95Å; Q141-L144 HydrophobicContact CG-CD1 4.43Å; Q141-L144 PolarHBondContact O-N 3.23Å; Q141-R145 PolarHBondContact O-N 3.41Å; Q141-R145 VanDerWaalsContact O-N 3.15Å | ||
| 142 | D | 97.8 | Very high | 97.4 | Very high | 87 Ų | 87 | 61.8 Ų | 61.8 | 47% | 0.465 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | -177.6 | -166.1 | -104.4 | 0 | 0 | 0 | 112.6 | V140 L144 R145 Q146 | V140-D142 PolarHBondContact O-N 2.83Å; D142-L144 VanDerWaalsContact C-N 3.31Å; D142-L144 PolarHBondContact O-N 3.05Å; D142-R145 WeakPolarHBondContact O-CB 3.47Å; D142-R145 PolarHBondContact O-N 3.36Å; D142-R145 VanDerWaalsContact O-N 3.07Å; D142-R145 IonicContact OD2-CZ 3.89Å; D142-R145 IonicContact OD2-NE 3.07Å; D142-R145 IonicContact OD2-NH2 3.83Å; D142-R145 PolarHBondContact OD2-NH2 3.23Å; D142-Q146 WeakPolarHBondContact O-CG 3.12Å; D142-Q146 PolarHBondContact O-N 2.91Å; D142-Q146 WeakPolarHBondContact OD1-CG 3.48Å |
| 143 | S | 96.6 | Very high | 97.4 | Very high | 75 Ų | 75 | 61.5 Ų | 61.5 | 52% | 0.524 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -54.1 | -45.6 | 176.7 | 51.4 | 0 | 0 | 0 | 0 | 112.7 | Q141 Q146 E147 | Q141-S143 PolarHBondContact O-N 3.25Å; S143-Q146 PolarHBondContact O-N 3.38Å; S143-E147 PolarHBondContact O-N 2.95Å |
| 144 | L | 96.3 | Very high | 97.4 | Very high | 20 Ų | 20 | 62 Ų | 62 | 11% | 0.105 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 177.5 | -60.9 | -176.5 | 0 | 0 | 0 | 111.7 | N108 Y112 I139 Q141 D142 E147 V148 | N108-L144 HydrophobicContact CB-CD2 4.05Å; N108-L144 VanDerWaalsContact ND2-CD2 3.27Å; N108-L144 WeakPolarHBondContact ND2-CD2 3.36Å; Y112-L144 HydrophobicContact CE1-CB 4.08Å; Y112-L144 WeakPolarHBondContact OH-CA 3.44Å; Y112-L144 WeakPolarHBondContact OH-CD2 3.3Å; Y112-L144 PolarHBondContact OH-O 3.32Å; I139-L144 HydrophobicContact CG2-CB 3.73Å; Q141-L144 HydrophobicContact CB-CB 4.31Å; Q141-L144 HydrophobicContact CB-CD1 4Å; Q141-L144 HydrophobicContact CB-CG 3.95Å; Q141-L144 HydrophobicContact CG-CD1 4.43Å; Q141-L144 PolarHBondContact O-N 3.23Å; D142-L144 VanDerWaalsContact C-N 3.31Å; D142-L144 PolarHBondContact O-N 3.05Å; L144-E147 PolarHBondContact O-N 3.22Å; L144-V148 WeakPolarHBondContact O-CG2 3.48Å; L144-V148 PolarHBondContact O-N 3.35Å |
| 145 | R | 97.8 | Very high | 97.3 | Very high | 25 Ų | 25 | 62.4 Ų | 62.4 | 9% | 0.094 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 175.2 | -70.3 | -167.5 | -64.9 | -100.6 | 0.5 | 111.7 | G131 L134 E135 I139 V140 Q141 D142 E147 V148 L149 | G131-R145 VanDerWaalsContact O-CD 3.26Å; G131-R145 WeakPolarHBondContact O-CD 3.23Å; L134-R145 HydrophobicContact CB-CG 3.92Å; L134-R145 HydrophobicContact CD1-CB 4.29Å; L134-R145 HydrophobicContact CD1-CG 4.4Å; E135-R145 IonicContact OE2-NH1 3.89Å; I139-R145 HydrophobicContact CB-CG 4.23Å; I139-R145 HydrophobicContact CG2-CG 3.72Å; I139-R145 VanDerWaalsContact O-CD 3.26Å; I139-R145 WeakPolarHBondContact O-CD 3.44Å; I139-R145 WeakPolarHBondContact O-CG 2.85Å; I139-R145 PolarHBondContact O-NH1 3.42Å; V140-R145 PolarHBondContact O-NH1 3.32Å; Q141-R145 PolarHBondContact O-N 3.41Å; Q141-R145 VanDerWaalsContact O-N 3.15Å; D142-R145 WeakPolarHBondContact O-CB 3.47Å; D142-R145 PolarHBondContact O-N 3.36Å; D142-R145 VanDerWaalsContact O-N 3.07Å; D142-R145 IonicContact OD2-CZ 3.89Å; D142-R145 IonicContact OD2-NE 3.07Å; D142-R145 IonicContact OD2-NH2 3.83Å; D142-R145 PolarHBondContact OD2-NH2 3.23Å; R145-E147 VanDerWaalsContact C-N 3.32Å; R145-E147 PolarHBondContact O-N 2.95Å; R145-V148 PolarHBondContact O-N 3.12Å; R145-L149 WeakPolarHBondContact O-CB 3.39Å; R145-L149 VanDerWaalsContact O-CG 3.24Å; R145-L149 WeakPolarHBondContact O-CG 3.27Å; R145-L149 PolarHBondContact O-N 2.83Å |
| 146 | Q | 98.1 | Very high | 97.2 | Very high | 98 Ų | 98 | 60.9 Ų | 60.9 | 46% | 0.458 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 179.4 | -65.6 | -53.2 | -38.6 | 0 | 0 | 111.3 | D142 S143 V148 L149 Q150 | D142-Q146 WeakPolarHBondContact O-CG 3.12Å; D142-Q146 PolarHBondContact O-N 2.91Å; D142-Q146 WeakPolarHBondContact OD1-CG 3.48Å; S143-Q146 PolarHBondContact O-N 3.38Å; Q146-V148 PolarHBondContact O-N 3.41Å; Q146-L149 PolarHBondContact O-N 2.79Å; Q146-Q150 VanDerWaalsContact O-CB 3.27Å; Q146-Q150 WeakPolarHBondContact O-CB 3.26Å; Q146-Q150 PolarHBondContact O-N 3.13Å |
| 147 | E | 96.6 | Very high | 97.2 | Very high | 43 Ų | 43 | 56.7 Ų | 56.7 | 20% | 0.201 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -54.9 | -52.5 | 174.5 | -173.7 | -168.1 | 157.6 | 0 | 0 | 111.1 | Y112 S143 L144 R145 Q150 Q151 | Y112-E147 PolarHBondContact OH-OE2 3.3Å; S143-E147 PolarHBondContact O-N 2.95Å; L144-E147 PolarHBondContact O-N 3.22Å; R145-E147 VanDerWaalsContact C-N 3.32Å; R145-E147 PolarHBondContact O-N 2.95Å; E147-Q150 PolarHBondContact O-N 3.18Å; E147-Q151 WeakPolarHBondContact O-CG 3.38Å; E147-Q151 PolarHBondContact O-N 2.94Å |
| 148 | V | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.5 | -45.9 | -179.3 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | Y112 F116 L134 L144 R145 Q146 Q150 Q151 V152 | Y112-V148 HydrophobicContact CD1-CG2 3.71Å; Y112-V148 HydrophobicContact CD2-CG2 4.37Å; Y112-V148 HydrophobicContact CE1-CG2 3.42Å; Y112-V148 VanDerWaalsContact CE1-CG2 3.42Å; Y112-V148 HydrophobicContact CE2-CG2 4.14Å; Y112-V148 HydrophobicContact CG-CG2 4.18Å; F116-V148 HydrophobicContact CE2-CG1 4.5Å; F116-V148 HydrophobicContact CZ-CG1 3.94Å; L134-V148 HydrophobicContact CD1-CB 4.26Å; L134-V148 HydrophobicContact CD1-CG1 4.15Å; L134-V148 HydrophobicContact CD2-CG1 4.16Å; L144-V148 WeakPolarHBondContact O-CG2 3.48Å; L144-V148 PolarHBondContact O-N 3.35Å; R145-V148 PolarHBondContact O-N 3.12Å; Q146-V148 PolarHBondContact O-N 3.41Å; V148-Q150 VanDerWaalsContact C-N 3.31Å; V148-Q150 PolarHBondContact O-N 3.07Å; V148-Q151 PolarHBondContact O-N 2.97Å; V148-V152 HydrophobicContact CG1-CG2 4.3Å; V148-V152 WeakPolarHBondContact O-CG2 3.44Å; V148-V152 PolarHBondContact O-N 3.38Å |
| 149 | L | 97.8 | Very high | 96.9 | Very high | 37 Ų | 37 | 60.6 Ų | 60.6 | 19% | 0.194 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.4 | -39.7 | -179 | -71.5 | 171.9 | 0 | 0 | 0 | 112 | L134 R145 Q146 Q151 V152 L153 | L134-L149 HydrophobicContact CD1-CD1 4.3Å; L134-L149 HydrophobicContact CD1-CD2 3.72Å; L134-L149 HydrophobicContact CD1-CG 3.66Å; R145-L149 WeakPolarHBondContact O-CB 3.39Å; R145-L149 VanDerWaalsContact O-CG 3.24Å; R145-L149 WeakPolarHBondContact O-CG 3.27Å; R145-L149 PolarHBondContact O-N 2.83Å; Q146-L149 PolarHBondContact O-N 2.79Å; L149-Q151 VanDerWaalsContact C-N 3.31Å; L149-Q151 PolarHBondContact O-N 2.73Å; L149-V152 PolarHBondContact O-N 3.42Å; L149-L153 WeakPolarHBondContact O-CB 3.44Å; L149-L153 PolarHBondContact O-N 2.98Å |
| 150 | Q | 98.1 | Very high | 96.7 | Very high | 121 Ų | 121 | 65.8 Ų | 65.8 | 57% | 0.565 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60.3 | -43.5 | 176 | -172.9 | -178.4 | 18 | 0 | 0 | 111 | Q146 E147 V148 L153 Q154 | Q146-Q150 VanDerWaalsContact O-CB 3.27Å; Q146-Q150 WeakPolarHBondContact O-CB 3.26Å; Q146-Q150 PolarHBondContact O-N 3.13Å; E147-Q150 PolarHBondContact O-N 3.18Å; V148-Q150 VanDerWaalsContact C-N 3.31Å; V148-Q150 PolarHBondContact O-N 3.07Å; Q150-L153 PolarHBondContact O-N 3.41Å; Q150-Q154 WeakPolarHBondContact O-CG 3.44Å; Q150-Q154 PolarHBondContact O-N 3.25Å |
| 151 | Q | 97.8 | Very high | 96.6 | Very high | 35 Ų | 35 | 64.7 Ų | 64.7 | 16% | 0.164 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.4 | -36.6 | 178 | -60.2 | -62.2 | 49.6 | 0 | 0 | 112.5 | W100 H104 E147 V148 L149 L153 Q154 L155 | W100-Q151 HydrophobicContact CH2-CB 3.59Å; W100-Q151 HydrophobicContact CZ2-CB 3.78Å; W100-Q151 WeakPolarHBondContact CZ2-O 3.26Å; H104-Q151 HydrophobicContact CB-CB 4.48Å; H104-Q151 HydrophobicContact CB-CG 4.41Å; H104-Q151 PolarHBondContact O-NE2 2.9Å; E147-Q151 WeakPolarHBondContact O-CG 3.38Å; E147-Q151 PolarHBondContact O-N 2.94Å; V148-Q151 PolarHBondContact O-N 2.97Å; L149-Q151 VanDerWaalsContact C-N 3.31Å; L149-Q151 PolarHBondContact O-N 2.73Å; Q151-L153 VanDerWaalsContact C-N 3.35Å; Q151-Q154 PolarHBondContact O-N 3.22Å; Q151-Q154 VanDerWaalsContact OE1-CD 3.3Å; Q151-Q154 VanDerWaalsContact OE1-NE2 3.15Å; Q151-L155 WeakPolarHBondContact O-CB 3.5Å; Q151-L155 PolarHBondContact O-N 2.83Å |
| 152 | V | 97.8 | Very high | 96.2 | Very high | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.024 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 174 | 172.3 | 0 | 0 | 0 | 0 | 111 | W100 L126 V148 L149 L155 Q156 | W100-V152 HydrophobicContact CH2-CG2 3.91Å; W100-V152 HydrophobicContact CZ3-CG2 4.31Å; L126-V152 HydrophobicContact CD1-CG2 3.69Å; L126-V152 HydrophobicContact CG-CG2 4.2Å; L126-V152 WeakPolarHBondContact O-CG1 3.33Å; V148-V152 HydrophobicContact CG1-CG2 4.3Å; V148-V152 WeakPolarHBondContact O-CG2 3.44Å; V148-V152 PolarHBondContact O-N 3.38Å; L149-V152 PolarHBondContact O-N 3.42Å; V152-L155 WeakPolarHBondContact O-CB 3.4Å; V152-L155 PolarHBondContact O-N 2.78Å; V152-Q156 WeakPolarHBondContact O-CG 3.46Å; V152-Q156 PolarHBondContact O-N 3.23Å |
| 153 | L | 97.9 | Very high | 95.8 | Very high | 106 Ų | 106 | 59.3 Ų | 59.3 | 56% | 0.555 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.3 | -44.5 | 177.2 | -176.6 | 63.5 | 0 | 0 | 0 | 111.5 | L149 Q150 Q151 L155 Q156 V157 | L149-L153 WeakPolarHBondContact O-CB 3.44Å; L149-L153 PolarHBondContact O-N 2.98Å; Q150-L153 PolarHBondContact O-N 3.41Å; Q151-L153 VanDerWaalsContact C-N 3.35Å; L153-L155 VanDerWaalsContact C-N 3.27Å; L153-L155 PolarHBondContact O-N 3.43Å; L153-Q156 WeakPolarHBondContact O-CB 3.42Å; L153-Q156 PolarHBondContact O-N 2.88Å; L153-V157 WeakPolarHBondContact O-CG2 3.41Å; L153-V157 PolarHBondContact O-N 2.91Å |
| 154 | Q | 97.4 | Very high | 95.6 | Very high | 93 Ų | 93 | 61.2 Ų | 61.2 | 44% | 0.435 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.5 | -39.2 | 174.1 | -70.6 | 178 | 34 | 0 | 0 | 111.9 | Q150 Q151 R158 | Q150-Q154 WeakPolarHBondContact O-CG 3.44Å; Q150-Q154 PolarHBondContact O-N 3.25Å; Q151-Q154 PolarHBondContact O-N 3.22Å; Q151-Q154 VanDerWaalsContact OE1-CD 3.3Å; Q151-Q154 VanDerWaalsContact OE1-NE2 3.15Å; Q154-R158 WeakPolarHBondContact O-CB 3.47Å; Q154-R158 VanDerWaalsContact O-CG 3.24Å; Q154-R158 WeakPolarHBondContact O-CG 3.45Å; Q154-R158 PolarHBondContact O-N 3.34Å |
| 155 | L | 96.8 | Very high | 95.2 | Very high | 7 Ų | 7 | 65.6 Ų | 65.6 | 4% | 0.037 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 176 | -177.6 | 64 | 0 | 0 | 0 | 111.5 | V89 W92 W100 L126 Q151 V152 L153 R158 E159 | V89-L155 HydrophobicContact CG1-CD2 3.94Å; V89-L155 HydrophobicContact CG2-CD1 3.69Å; V89-L155 HydrophobicContact CG2-CD2 3.95Å; V89-L155 HydrophobicContact CG2-CG 3.86Å; W92-L155 HydrophobicContact CH2-CD1 3.89Å; W92-L155 HydrophobicContact CH2-CD2 4.09Å; W92-L155 HydrophobicContact CZ3-CD1 4.47Å; W92-L155 HydrophobicContact CZ3-CD2 3.83Å; W100-L155 HydrophobicContact CD2-CD2 4.34Å; W100-L155 HydrophobicContact CZ2-CB 4.07Å; W100-L155 HydrophobicContact CZ2-CD2 4.04Å; L126-L155 HydrophobicContact CD2-CD2 3.64Å; Q151-L155 WeakPolarHBondContact O-CB 3.5Å; Q151-L155 PolarHBondContact O-N 2.83Å; V152-L155 WeakPolarHBondContact O-CB 3.4Å; V152-L155 PolarHBondContact O-N 2.78Å; L153-L155 VanDerWaalsContact C-N 3.27Å; L153-L155 PolarHBondContact O-N 3.43Å; L155-R158 PolarHBondContact O-N 2.67Å; L155-E159 PolarHBondContact O-N 3.39Å |
| 156 | Q | 96.4 | Very high | 94.6 | Very high | 62 Ų | 62 | 68.1 Ų | 68.1 | 29% | 0.29 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.1 | -50.3 | 176.5 | -73.8 | 171.1 | -40 | 0 | 0 | 111.6 | L127 V152 L153 R158 E159 E160 | L127-Q156 HydrophobicContact CD2-CG 3.6Å; L127-Q156 PolarHBondContact O-NE2 3.02Å; V152-Q156 WeakPolarHBondContact O-CG 3.46Å; V152-Q156 PolarHBondContact O-N 3.23Å; L153-Q156 WeakPolarHBondContact O-CB 3.42Å; L153-Q156 PolarHBondContact O-N 2.88Å; Q156-R158 VanDerWaalsContact C-N 3.26Å; Q156-R158 PolarHBondContact O-N 3.48Å; Q156-E159 WeakPolarHBondContact O-CA 3.28Å; Q156-E159 WeakPolarHBondContact O-CB 3.24Å; Q156-E159 PolarHBondContact O-N 2.91Å; Q156-E160 WeakPolarHBondContact O-CG 3.28Å; Q156-E160 PolarHBondContact O-N 3.45Å |
| 157 | V | 96.7 | Very high | 94 | Very high | 84 Ų | 84 | 68.5 Ų | 68.5 | 51% | 0.509 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.8 | -42.6 | 178.5 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | L153 E159 E160 V161 | L153-V157 WeakPolarHBondContact O-CG2 3.41Å; L153-V157 PolarHBondContact O-N 2.91Å; V157-E159 VanDerWaalsContact C-N 3.34Å; V157-E159 PolarHBondContact O-N 2.96Å; V157-E160 PolarHBondContact O-N 3.06Å; V157-V161 HydrophobicContact CG1-CG2 4.44Å; V157-V161 VanDerWaalsContact O-CG2 3.28Å; V157-V161 WeakPolarHBondContact O-CG2 3.33Å; V157-V161 PolarHBondContact O-N 2.92Å |
| 158 | R | 94 | Very high | 93.4 | Very high | 144 Ų | 144 | 69 Ų | 69 | 54% | 0.543 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.5 | -35.3 | 176.2 | -72.1 | 175.9 | 66.6 | -153.2 | -3.2 | 113 | Q154 L155 Q156 R162 | Q154-R158 WeakPolarHBondContact O-CB 3.47Å; Q154-R158 VanDerWaalsContact O-CG 3.24Å; Q154-R158 WeakPolarHBondContact O-CG 3.45Å; Q154-R158 PolarHBondContact O-N 3.34Å; L155-R158 PolarHBondContact O-N 2.67Å; Q156-R158 VanDerWaalsContact C-N 3.26Å; Q156-R158 PolarHBondContact O-N 3.48Å; R158-R162 WeakPolarHBondContact O-CB 3.35Å; R158-R162 PolarHBondContact O-N 3.13Å |
| 159 | E | 92.8 | Very high | 92.4 | Very high | 10 Ų | 10 | 74.7 Ų | 74.7 | 5% | 0.047 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.3 | -48.6 | 174.3 | -163.9 | 70.6 | -158.2 | 0 | 0 | 110.9 | V89 L155 Q156 V157 R162 N163 | V89-E159 WeakPolarHBondContact CG2-OE2 3.32Å; V89-E159 PolarHBondContact N-OE1 2.91Å; L155-E159 PolarHBondContact O-N 3.39Å; Q156-E159 WeakPolarHBondContact O-CA 3.28Å; Q156-E159 WeakPolarHBondContact O-CB 3.24Å; Q156-E159 PolarHBondContact O-N 2.91Å; V157-E159 VanDerWaalsContact C-N 3.34Å; V157-E159 PolarHBondContact O-N 2.96Å; E159-R162 WeakPolarHBondContact O-CB 3.44Å; E159-R162 PolarHBondContact O-N 3.29Å; E159-R162 IonicContact OE1-CZ 3.15Å; E159-R162 IonicContact OE1-NH1 2.9Å; E159-R162 PolarHBondContact OE1-NH1 2.88Å; E159-R162 IonicContact OE2-CZ 2.78Å; E159-R162 IonicContact OE2-NH1 2.83Å; E159-R162 PolarHBondContact OE2-NH1 3.48Å; E159-R162 IonicContact OE2-NH2 2.67Å; E159-R162 PolarHBondContact OE2-NH2 3.24Å; E159-N163 VanDerWaalsContact O-CG 3.25Å; E159-N163 PolarHBondContact O-N 3.05Å; E159-N163 PolarHBondContact O-ND2 2.98Å |
| 160 | E | 93.8 | Very high | 90.9 | Very high | 111 Ų | 111 | 75.5 Ų | 75.5 | 52% | 0.519 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.5 | -44.9 | -179.7 | -65.6 | -51.7 | 140.1 | 0 | 0 | 112.2 | Q156 V157 R162 N163 L164 | Q156-E160 WeakPolarHBondContact O-CG 3.28Å; Q156-E160 PolarHBondContact O-N 3.45Å; V157-E160 PolarHBondContact O-N 3.06Å; E160-R162 VanDerWaalsContact C-N 3.26Å; E160-R162 PolarHBondContact O-N 3.42Å; E160-N163 PolarHBondContact O-N 3.17Å; E160-N163 VanDerWaalsContact O-N 3.16Å; E160-L164 WeakPolarHBondContact O-CG 3.5Å; E160-L164 PolarHBondContact O-N 3.23Å |
| 161 | V | 93.1 | Very high | 89.2 | Confident | 73 Ų | 73 | 73.1 Ų | 73.1 | 44% | 0.442 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57.2 | -43.3 | 175.1 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | V157 L164 Q165 | V157-V161 HydrophobicContact CG1-CG2 4.44Å; V157-V161 VanDerWaalsContact O-CG2 3.28Å; V157-V161 WeakPolarHBondContact O-CG2 3.33Å; V157-V161 PolarHBondContact O-N 2.92Å; V161-L164 PolarHBondContact O-N 3.2Å; V161-Q165 VanDerWaalsContact O-CG 3.28Å; V161-Q165 WeakPolarHBondContact O-CG 3.38Å; V161-Q165 PolarHBondContact O-N 3.29Å |
| 162 | R | 90 | Very high | 87.2 | Confident | 43 Ų | 43 | 79.4 Ų | 79.4 | 16% | 0.162 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.8 | -43 | 177.5 | -168.8 | -177.1 | -19.8 | 93.1 | -0.2 | 111.9 | C84 R158 E159 E160 L164 Q165 L166 | C84-R162 WeakPolarHBondContact SG-CD 3.3Å; R158-R162 WeakPolarHBondContact O-CB 3.35Å; R158-R162 PolarHBondContact O-N 3.13Å; E159-R162 WeakPolarHBondContact O-CB 3.44Å; E159-R162 PolarHBondContact O-N 3.29Å; E159-R162 IonicContact OE1-CZ 3.15Å; E159-R162 IonicContact OE1-NH1 2.9Å; E159-R162 PolarHBondContact OE1-NH1 2.88Å; E159-R162 IonicContact OE2-CZ 2.78Å; E159-R162 IonicContact OE2-NH1 2.83Å; E159-R162 PolarHBondContact OE2-NH1 3.48Å; E159-R162 IonicContact OE2-NH2 2.67Å; E159-R162 PolarHBondContact OE2-NH2 3.24Å; E160-R162 VanDerWaalsContact C-N 3.26Å; E160-R162 PolarHBondContact O-N 3.42Å; R162-L164 VanDerWaalsContact C-N 3.35Å; R162-L164 PolarHBondContact O-N 3.32Å; R162-Q165 WeakPolarHBondContact O-CB 3.38Å; R162-Q165 PolarHBondContact O-N 2.93Å; R162-L166 HydrophobicContact CG-CD1 4.39Å; R162-L166 WeakPolarHBondContact O-CG 3.43Å; R162-L166 PolarHBondContact O-N 3.49Å |
| 163 | N | 89.3 | Confident | 85.2 | Confident | 55 Ų | 55 | 81.9 Ų | 81.9 | 29% | 0.294 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 177.6 | -71.5 | -19.7 | 0 | 0 | 0 | 111.1 | E159 E160 Q165 L166 L167 | E159-N163 VanDerWaalsContact O-CG 3.25Å; E159-N163 PolarHBondContact O-N 3.05Å; E159-N163 PolarHBondContact O-ND2 2.98Å; E160-N163 PolarHBondContact O-N 3.17Å; E160-N163 VanDerWaalsContact O-N 3.16Å; N163-Q165 VanDerWaalsContact C-N 3.32Å; N163-Q165 PolarHBondContact O-N 3.41Å; N163-L166 PolarHBondContact O-N 3.16Å; N163-L167 VanDerWaalsContact O-CG 3.3Å; N163-L167 WeakPolarHBondContact O-CG 3.47Å; N163-L167 PolarHBondContact O-N 2.95Å |
| 164 | L | 91.9 | Very high | 82.9 | Confident | 115 Ų | 115 | 83.5 Ų | 83.5 | 60% | 0.602 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -60.7 | -40.1 | 175.7 | -68.8 | 175.1 | 0 | 0 | 0 | 112.4 | E160 V161 R162 L167 S168 | E160-L164 WeakPolarHBondContact O-CG 3.5Å; E160-L164 PolarHBondContact O-N 3.23Å; V161-L164 PolarHBondContact O-N 3.2Å; R162-L164 VanDerWaalsContact C-N 3.35Å; R162-L164 PolarHBondContact O-N 3.32Å; L164-L167 PolarHBondContact O-N 3.04Å; L164-S168 PolarHBondContact O-N 3.46Å; L164-S168 PolarHBondContact O-OG 2.76Å |
| 165 | Q | 88.5 | Confident | 80.5 | Confident | 112 Ų | 112 | 87.5 Ų | 87.5 | 52% | 0.523 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.3 | -36.4 | 175.3 | -73.2 | 173.1 | -8.3 | 0 | 0 | 112.9 | V161 R162 N163 S168 R169 | V161-Q165 VanDerWaalsContact O-CG 3.28Å; V161-Q165 WeakPolarHBondContact O-CG 3.38Å; V161-Q165 PolarHBondContact O-N 3.29Å; R162-Q165 WeakPolarHBondContact O-CB 3.38Å; R162-Q165 PolarHBondContact O-N 2.93Å; N163-Q165 VanDerWaalsContact C-N 3.32Å; N163-Q165 PolarHBondContact O-N 3.41Å; Q165-S168 PolarHBondContact O-OG 3.2Å; Q165-S168 VanDerWaalsContact O-OG 3.04Å; Q165-R169 WeakPolarHBondContact O-CB 3.07Å; Q165-R169 VanDerWaalsContact O-CD 3.28Å; Q165-R169 WeakPolarHBondContact O-CD 3.34Å; Q165-R169 VanDerWaalsContact O-CG 3.3Å; Q165-R169 WeakPolarHBondContact O-CG 3.4Å; Q165-R169 PolarHBondContact O-N 3.06Å |
| 166 | L | 85.1 | Confident | 77.7 | Confident | 77 Ų | 77 | 96.1 Ų | 96.1 | 40% | 0.403 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.1 | -41 | 175.8 | -68.6 | 171 | 0 | 0 | 0 | 111.4 | R162 N163 R169 T170 | R162-L166 HydrophobicContact CG-CD1 4.39Å; R162-L166 WeakPolarHBondContact O-CG 3.43Å; R162-L166 PolarHBondContact O-N 3.49Å; N163-L166 PolarHBondContact O-N 3.16Å; L166-R169 PolarHBondContact O-N 2.92Å; L166-T170 WeakPolarHBondContact O-CG2 3.28Å; L166-T170 PolarHBondContact O-N 3.24Å; L166-T170 PolarHBondContact O-OG1 2.96Å |
| 167 | L | 85.1 | Confident | 76.8 | Confident | 107 Ų | 107 | 97.8 Ų | 97.8 | 56% | 0.56 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.9 | -40.7 | 177.5 | -70.2 | 172.1 | 0 | 0 | 0 | 112.4 | N163 L164 T170 S171 | N163-L167 VanDerWaalsContact O-CG 3.3Å; N163-L167 WeakPolarHBondContact O-CG 3.47Å; N163-L167 PolarHBondContact O-N 2.95Å; L164-L167 PolarHBondContact O-N 3.04Å; L167-T170 WeakPolarHBondContact CA-OG1 3.3Å; L167-T170 PolarHBondContact O-OG1 3.04Å; L167-S171 WeakPolarHBondContact O-CB 3.28Å; L167-S171 PolarHBondContact O-N 3.33Å; L167-S171 PolarHBondContact O-OG 2.87Å |
| 168 | S | 83.3 | Confident | 75.7 | Confident | 52 Ų | 52 | 98.5 Ų | 98.5 | 36% | 0.364 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 176.6 | 65 | 0 | 0 | 0 | 0 | 111.3 | L164 Q165 T170 S171 F172 | L164-S168 PolarHBondContact O-N 3.46Å; L164-S168 PolarHBondContact O-OG 2.76Å; Q165-S168 PolarHBondContact O-OG 3.2Å; Q165-S168 VanDerWaalsContact O-OG 3.04Å; S168-T170 PolarHBondContact O-N 3.11Å; S168-S171 PolarHBondContact O-N 3.05Å; S168-F172 WeakPolarHBondContact O-CD2 3.41Å; S168-F172 PolarHBondContact O-N 3.45Å; S168-F172 VanDerWaalsContact O-N 3.11Å |
| 169 | R | 77.9 | Confident | 74.7 | Confident | 121 Ų | 121 | 96 Ų | 96 | 46% | 0.457 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 178.4 | -76.6 | 164.3 | 132.1 | -91.1 | 3.2 | 113.6 | L82 Q165 L166 S171 G173 | L82-R169 VanDerWaalsContact CD1-NH2 3.25Å; Q165-R169 WeakPolarHBondContact O-CB 3.07Å; Q165-R169 VanDerWaalsContact O-CD 3.28Å; Q165-R169 WeakPolarHBondContact O-CD 3.34Å; Q165-R169 VanDerWaalsContact O-CG 3.3Å; Q165-R169 WeakPolarHBondContact O-CG 3.4Å; Q165-R169 PolarHBondContact O-N 3.06Å; L166-R169 PolarHBondContact O-N 2.92Å; R169-S171 VanDerWaalsContact C-N 3.33Å; R169-G173 PolarHBondContact O-N 3.49Å |
| 170 | T | 66.1 | Low | 73.7 | Confident | 53 Ų | 53 | 101.1 Ų | 101.1 | 33% | 0.325 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.8 | -31.7 | 175.1 | 46.6 | 0 | 0 | 0 | 0 | 112.1 | L166 L167 S168 | L166-T170 WeakPolarHBondContact O-CG2 3.28Å; L166-T170 PolarHBondContact O-N 3.24Å; L166-T170 PolarHBondContact O-OG1 2.96Å; L167-T170 WeakPolarHBondContact CA-OG1 3.3Å; L167-T170 PolarHBondContact O-OG1 3.04Å; S168-T170 PolarHBondContact O-N 3.11Å |
| 171 | S | 60.9 | Low | 72.4 | Confident | 72 Ų | 72 | 100.4 Ų | 100.4 | 50% | 0.503 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -72.3 | -33.2 | 177.5 | -57.7 | 0 | 0 | 0 | 0 | 113.4 | L167 S168 R169 | L167-S171 WeakPolarHBondContact O-CB 3.28Å; L167-S171 PolarHBondContact O-N 3.33Å; L167-S171 PolarHBondContact O-OG 2.87Å; S168-S171 PolarHBondContact O-N 3.05Å; R169-S171 VanDerWaalsContact C-N 3.33Å |
| 172 | F | 56.3 | Low | 71 | Confident | 166 Ų | 166 | 102.3 Ų | 102.3 | 73% | 0.728 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -91.2 | -15.2 | -179.7 | -70.2 | -68.1 | 0 | 0 | 0 | 114.6 | S168 N174 | S168-F172 WeakPolarHBondContact O-CD2 3.41Å; S168-F172 PolarHBondContact O-N 3.45Å; S168-F172 VanDerWaalsContact O-N 3.11Å; F172-N174 VanDerWaalsContact C-N 3.34Å; F172-N174 PolarHBondContact O-N 3.19Å |
| 173 | G | 55 | Low | 69.7 | Low | 56 Ų | 56 | 106.5 Ų | 106.5 | 58% | 0.577 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -6.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | R169 | R169-G173 PolarHBondContact O-N 3.49Š|
| 174 | N | 50.7 | Low | 68.2 | Low | 140 Ų | 140 | 110.5 Ų | 110.5 | 75% | 0.749 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 9.7 | -173.8 | -78.7 | 6.8 | 0 | 0 | 0 | 114.7 | F172 | F172-N174 VanDerWaalsContact C-N 3.34Å; F172-N174 PolarHBondContact O-N 3.19Å |
| 175 | F | 46.2 | Very low | 66.2 | Low | 177 Ų | 177 | 110.1 Ų | 110.1 | 78% | 0.776 | 61% | 0.607 | S | S | * | * | trans | -114.4 | 34.3 | -178.7 | -69 | -76.4 | 0 | 0 | 0 | 113.8 | ||||
| 176 | S | 38.8 | Very low | 64.1 | Low | 188 Ų | 188 | 109.9 Ų | 109.9 | 100% | 1.315 | 61% | 0.614 | S | S | * | * | trans | -135.9 | 0 | 173.8 | -69.2 | 0 | 0 | 0 | 0 | 111.9 |
Retrieved 176 of 176 residues in 86.2 ms
(Link to these results)