| 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 | 50.1 | Low | 54.7 | Low | 226 Ų | 226 | 154.1 Ų | 154.1 | 100% | 1.113 | 85% | 0.846 | S | S | * | * | 0 | 103.5 | 0 | -70.8 | 168.9 | 164 | 0 | 0 | 107.7 | F3 | M1-F3 HydrophobicContact CB-CE2 4.43Š| |||
| 2 | T | 45.2 | Very low | 54.6 | Low | 146 Ų | 146 | 154.1 Ų | 154.1 | 90% | 0.896 | 84% | 0.835 | S | S | * | * | trans | -89.9 | 113.2 | -178.4 | 47.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 3 | F | 49.1 | Very low | 54.8 | Low | 194 Ų | 194 | 155.7 Ų | 155.7 | 85% | 0.851 | 84% | 0.841 | S | S | * | * | trans | -87.5 | 115.7 | 175.2 | -80.7 | -89.2 | 0 | 0 | 0 | 109.7 | M1 | M1-F3 HydrophobicContact CB-CE2 4.43Š| ||
| 4 | A | 58 | Low | 54.8 | Low | 83 Ų | 83 | 154.1 Ų | 154.1 | 69% | 0.686 | 83% | 0.83 | S | S | * | * | trans | -66.7 | 127.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | L6 | A4-L6 HydrophobicContact CB-CD1 4.37Å; A4-L6 PolarHBondContact O-N 3.32Å; A4-L6 VanDerWaalsContact O-N 3.15Å | ||
| 5 | M | 58.8 | Low | 53.6 | Low | 189 Ų | 189 | 156.6 Ų | 156.6 | 93% | 0.931 | 83% | 0.825 | S | S | * | * | trans | -72.5 | 97.3 | 169.6 | -70.3 | -74.5 | -130.7 | 0 | 0 | 109.2 | R7 | M5-R7 PolarHBondContact O-N 3.04Š| ||
| 6 | L | 60.2 | Low | 53.6 | Low | 158 Ų | 158 | 153.8 Ų | 153.8 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -76 | 120.9 | 164.3 | -97.1 | 71.4 | 0 | 0 | 0 | 108.9 | A4 | A4-L6 HydrophobicContact CB-CD1 4.37Å; A4-L6 PolarHBondContact O-N 3.32Å; A4-L6 VanDerWaalsContact O-N 3.15Å |
| 7 | R | 59.8 | Low | 53.2 | Low | 230 Ų | 230 | 153.5 Ų | 153.5 | 87% | 0.868 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 138.7 | 174.3 | -79.8 | -179.7 | 145.5 | 95.2 | -1.8 | 111.2 | M5 V9 | M5-R7 PolarHBondContact O-N 3.04Å; R7-V9 PolarHBondContact O-N 3.41Å |
| 8 | P | 56.2 | Low | 52.6 | Low | 128 Ų | 128 | 155.2 Ų | 155.2 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -72 | 122.3 | 164.1 | -7.9 | 24.4 | 0 | 0 | 0 | 109.3 | ||
| 9 | V | 53.5 | Low | 52.6 | Low | 123 Ų | 123 | 153.9 Ų | 153.9 | 75% | 0.745 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 122.6 | 164.1 | 162.7 | 0 | 0 | 0 | 0 | 107.5 | R7 T11 | R7-V9 PolarHBondContact O-N 3.41Å; V9-T11 HydrophobicContact CG1-CG2 4.42Å; V9-T11 PolarHBondContact O-N 3.34Å; V9-T11 VanDerWaalsContact O-N 3.16Å |
| 10 | A | 53.7 | Low | 52.2 | Low | 105 Ų | 105 | 153.2 Ų | 153.2 | 87% | 0.868 | 82% | 0.82 | S | S | * | * | trans | -64.4 | 111.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 11 | T | 56.7 | Low | 51.6 | Low | 113 Ų | 113 | 151.4 Ų | 151.4 | 69% | 0.693 | 82% | 0.815 | S | S | * | * | trans | -109 | 139.4 | 166.5 | 51.3 | 0 | 0 | 0 | 0 | 109.1 | V9 | V9-T11 HydrophobicContact CG1-CG2 4.42Å; V9-T11 PolarHBondContact O-N 3.34Å; V9-T11 VanDerWaalsContact O-N 3.16Å | ||
| 12 | H | 53.7 | Low | 51.4 | Low | 154 Ų | 154 | 148.5 Ų | 148.5 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | trans | 94.3 | 64.3 | 169.7 | -76.6 | -90.3 | 0 | 0 | 0 | 118.6 | I14 | H12-I14 PolarHBondContact O-N 2.78Š| ||
| 13 | L | 56.9 | Low | 51.4 | Low | 175 Ų | 175 | 145.9 Ų | 145.9 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | trans | -66.8 | 69.3 | 132.5 | -77 | 167.1 | 0 | 0 | 0 | 110.7 | ||||
| 14 | I | 55.7 | Low | 51.7 | Low | 133 Ų | 133 | 145.4 Ų | 145.4 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | trans | -152.3 | 75.2 | 161.6 | -50.8 | -176 | 0 | 0 | 0 | 108.6 | H12 | H12-I14 PolarHBondContact O-N 2.78Š| ||
| 15 | Y | 36.4 | Very low | 51.2 | Low | 192 Ų | 192 | 148 Ų | 148 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -178.4 | 79 | 141 | -154.6 | -101.1 | 0 | 0 | 0 | 109 | F18 | Y15-F18 HydrophobicContact CE1-CB 4.14Š| ||
| 16 | S | 54.2 | Low | 51 | Low | 111 Ų | 111 | 146.9 Ų | 146.9 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -99.3 | 101.7 | 161.5 | -61.5 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 17 | D | 46 | Very low | 50.6 | Low | 149 Ų | 149 | 146.8 Ų | 146.8 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 165.5 | 51 | 149.5 | -88.2 | -35.3 | 0 | 0 | 0 | 115.5 | ||
| 18 | F | 43 | Very low | 50.3 | Low | 184 Ų | 184 | 142.3 Ų | 142.3 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -150.5 | 36.4 | 158.5 | -156.8 | -101.3 | 0 | 0 | 0 | 114.8 | Y15 | Y15-F18 HydrophobicContact CE1-CB 4.14Š|
| 19 | T | 52.7 | Low | 49.8 | Very low | 131 Ų | 131 | 145.7 Ų | 145.7 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -137.3 | 131.2 | 172 | 54.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 20 | V | 43.2 | Very low | 49.8 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | trans | 95 | 93.5 | -167.1 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 21 | T | 41.4 | Very low | 49.6 | Very low | 116 Ų | 116 | 146.9 Ų | 146.9 | 71% | 0.712 | 77% | 0.768 | S | S | * | * | -146.4 | 101.1 | 55.9 | 53.4 | 0 | 0 | 0 | 0 | 112 | |||||
| 22 | N | 45.1 | Very low | 49.3 | Very low | 166 Ų | 166 | 147.5 Ų | 147.5 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | trans | -92 | 89.3 | 149 | -89.2 | 2.2 | 0 | 0 | 0 | 105.3 | ||||
| 23 | S | 45.1 | Very low | 48.9 | Very low | 90 Ų | 90 | 147.1 Ų | 147.1 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | trans | -85.8 | 115.5 | 163 | 53.9 | 0 | 0 | 0 | 0 | 107.4 | D25 | S23-D25 PolarHBondContact O-N 3.17Š| ||
| 24 | E | 55.5 | Low | 48.4 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -72.6 | 110.5 | 170.9 | -57.9 | 165.6 | 125.2 | 0 | 0 | 107.1 | ||||
| 25 | D | 48.2 | Very low | 48.1 | Very low | 137 Ų | 137 | 141.3 Ų | 141.3 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | -129.4 | 95.3 | 168.2 | -70.6 | -61 | 0 | 0 | 0 | 108.8 | S23 E27 | S23-D25 PolarHBondContact O-N 3.17Å; D25-E27 PolarHBondContact O-N 2.92Å | ||
| 26 | D | 53.5 | Low | 48.7 | Very low | 167 Ų | 167 | 137 Ų | 137 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | trans | -87.3 | 79.1 | 175.9 | -134.4 | -56.1 | 0 | 0 | 0 | 108.2 | ||||
| 27 | E | 53.2 | Low | 48 | Very low | 155 Ų | 155 | 140.1 Ų | 140.1 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | trans | -100.4 | 95.5 | 177.8 | -75.3 | -80.9 | 116.5 | 0 | 0 | 110.6 | D25 R29 | D25-E27 PolarHBondContact O-N 2.92Å; E27-R29 PolarHBondContact O-N 3.26Å; E27-R29 VanDerWaalsContact O-N 3.12Å | ||
| 28 | N | 52.7 | Low | 48.1 | Very low | 137 Ų | 137 | 142.4 Ų | 142.4 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | -54.9 | 103.6 | 163 | 168.1 | 56.7 | 0 | 0 | 0 | 111 | ||||
| 29 | R | 45.6 | Very low | 48.2 | Very low | 198 Ų | 198 | 138.1 Ų | 138.1 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | trans | -108 | 89.6 | 165.8 | -76.7 | -174.3 | 175.2 | -161.5 | 2.7 | 110.9 | E27 E31 | E27-R29 PolarHBondContact O-N 3.26Å; E27-R29 VanDerWaalsContact O-N 3.12Å; R29-E31 WeakPolarHBondContact CD-OE1 3.27Å; R29-E31 IonicContact NE-OE1 3.99Å | ||
| 30 | S | 53.4 | Low | 47.6 | Very low | 107 Ų | 107 | 142.9 Ų | 142.9 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -88.6 | 106.3 | 152.8 | -73.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 31 | E | 49.5 | Very low | 47.2 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | trans | -131.5 | 107.3 | 165.3 | 45.8 | -157.3 | 121.4 | 0 | 0 | 108.7 | R29 | R29-E31 WeakPolarHBondContact CD-OE1 3.27Å; R29-E31 IonicContact NE-OE1 3.99Å | ||
| 32 | S | 49.9 | Very low | 47.3 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | trans | -84.6 | 113.4 | 168.2 | 175.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 33 | D | 45.4 | Very low | 47.1 | Very low | 146 Ų | 146 | 137.8 Ų | 137.8 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | -110.3 | 113.1 | 160.9 | 178.9 | -4.7 | 0 | 0 | 0 | 107.7 | ||||
| 34 | G | 46.8 | Very low | 47.4 | Very low | 73 Ų | 73 | 140 Ų | 140 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -94.4 | 117 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 35 | S | 49.1 | Very low | 47.3 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -120.9 | 109.6 | 157.4 | -162.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 36 | S | 49.3 | Very low | 47.3 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | trans | -55.5 | 152.7 | 148.5 | -128.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 37 | E | 40.5 | Very low | 47.4 | Very low | 176 Ų | 176 | 145.1 Ų | 145.1 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | cis | -160.7 | 144.5 | 25.8 | -54.6 | -174 | 104.5 | 0 | 0 | 108 | ||||
| 38 | Q | 46.8 | Very low | 47.6 | Very low | 197 Ų | 197 | 148.7 Ų | 148.7 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -165.2 | 106.3 | 133.1 | -156 | 110.6 | 60.6 | 0 | 0 | 109.4 | ||||
| 39 | S | 44.7 | Very low | 47.7 | Very low | 94 Ų | 94 | 151.9 Ų | 151.9 | 66% | 0.657 | 80% | 0.801 | S | S | * | * | trans | -59.3 | 135.9 | 170.3 | 171.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 40 | Y | 40 | Very low | 48.4 | Very low | 232 Ų | 232 | 149.2 Ų | 149.2 | 91% | 0.91 | 80% | 0.8 | S | S | * | * | -168.6 | 101.5 | 120.6 | -93.8 | -74.4 | 0 | 0 | 0 | 108.8 | |||||
| 41 | C | 36.4 | Very low | 48.1 | Very low | 128 Ų | 128 | 149.8 Ų | 149.8 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | trans | -146.2 | 105.9 | 155.5 | 56.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 42 | G | 42.9 | Very low | 48.6 | Very low | 74 Ų | 74 | 154.3 Ų | 154.3 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | trans | -80.5 | 123.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 43 | S | 40.9 | Very low | 48.6 | Very low | 112 Ų | 112 | 157.1 Ų | 157.1 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | 177.6 | 112.8 | 137.4 | -81.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 44 | T | 51.3 | Low | 49 | Very low | 137 Ų | 137 | 157.9 Ų | 157.9 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | 43.1 | 122 | 143 | 56.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 45 | E | 52.6 | Low | 49.4 | Very low | 188 Ų | 188 | 161.9 Ų | 161.9 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | -48.2 | 134.7 | 171.3 | -58.9 | 166.9 | 118.7 | 0 | 0 | 113.9 | ||||
| 46 | K | 49.4 | Very low | 49.8 | Very low | 204 Ų | 204 | 159.1 Ų | 159.1 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | trans | -163 | 98.2 | 136.8 | -104.7 | 158.1 | -166.8 | 178.4 | 0 | 110.9 | R48 | K46-R48 PolarHBondContact O-N 3.01Š| ||
| 47 | R | 54.9 | Low | 50.4 | Low | 202 Ų | 202 | 160.4 Ų | 160.4 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | -61.8 | 102.9 | 171 | -171.6 | -178 | -166.3 | -132.9 | 11.9 | 110.4 | R49 | R47-R49 VanDerWaalsContact NH2-NH2 3.1Š| ||
| 48 | R | 57.6 | Low | 51.9 | Low | 231 Ų | 231 | 155.1 Ų | 155.1 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | -121.3 | 103.2 | 154.7 | -71.9 | -170.9 | 179.6 | 178.2 | 0.7 | 108.1 | K46 I50 | K46-R48 PolarHBondContact O-N 3.01Å; R48-I50 PolarHBondContact O-N 3.22Å; R48-I50 VanDerWaalsContact O-N 3.15Å | ||
| 49 | R | 54.5 | Low | 53.4 | Low | 203 Ų | 203 | 148.7 Ų | 148.7 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | trans | -67.8 | 105 | 175.4 | -72.3 | -176.2 | 170.7 | -176.4 | -5.3 | 108.5 | R47 | R47-R49 VanDerWaalsContact NH2-NH2 3.1Š| ||
| 50 | I | 60.6 | Low | 55.1 | Low | 143 Ų | 143 | 148.7 Ų | 148.7 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | trans | -80.6 | 130.4 | 169 | -58.3 | 169.8 | 0 | 0 | 0 | 107.4 | R48 R52 | R48-I50 PolarHBondContact O-N 3.22Å; R48-I50 VanDerWaalsContact O-N 3.15Å; I50-R52 PolarHBondContact O-N 3.18Å | ||
| 51 | P | 48 | Very low | 57.2 | Low | 119 Ų | 119 | 141.4 Ų | 141.4 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | trans | -67.2 | 106.2 | 177.1 | -10.4 | 24.9 | 0 | 0 | 0 | 109.8 | K53 | P51-K53 VanDerWaalsContact C-N 3.3Å; P51-K53 PolarHBondContact O-N 3.24Å | ||
| 52 | R | 58.1 | Low | 59.6 | Low | 241 Ų | 241 | 139.5 Ų | 139.5 | 91% | 0.909 | 72% | 0.717 | S | S | * | * | trans | -77.1 | 75.8 | 173.3 | -66.7 | -171.8 | -175.2 | -158.4 | 1.9 | 110.4 | I50 | I50-R52 PolarHBondContact O-N 3.18Š| ||
| 53 | K | 51.4 | Low | 61.7 | Low | 186 Ų | 186 | 143.6 Ų | 143.6 | 81% | 0.809 | 71% | 0.714 | S | S | * | * | trans | -146.2 | 42.7 | 175.5 | -146.2 | -173.9 | -179.8 | -163.5 | 0 | 114.5 | P51 | P51-K53 VanDerWaalsContact C-N 3.3Å; P51-K53 PolarHBondContact O-N 3.24Å | ||
| 54 | L | 53.8 | Low | 64 | Low | 162 Ų | 162 | 144.5 Ų | 144.5 | 85% | 0.848 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -155.2 | 8.7 | 164.6 | -100 | 120.2 | 0 | 0 | 0 | 114.3 | ||
| 55 | E | 55 | Low | 66.1 | Low | 156 Ų | 156 | 145 Ų | 145 | 73% | 0.729 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -92 | -18.3 | -174.8 | -67.7 | -80 | 131.7 | 0 | 0 | 113.7 | A59 | E55-A59 WeakPolarHBondContact O-CB 3.25Å; E55-A59 PolarHBondContact O-N 3.22Å |
| 56 | G | 57.8 | Low | 68.2 | Low | 54 Ų | 54 | 139 Ų | 139 | 56% | 0.557 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -71.1 | -38.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V60 | G56-V60 VanDerWaalsContact O-CG2 3.31Å; G56-V60 WeakPolarHBondContact O-CG2 3.27Å; G56-V60 PolarHBondContact O-N 3.05Å |
| 57 | D | 62.1 | Low | 70.3 | Confident | 130 Ų | 130 | 131 Ų | 131 | 70% | 0.695 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -72.7 | -41 | -177.9 | -156.9 | 34.3 | 0 | 0 | 0 | 111.2 | A59 V60 V61 | D57-A59 PolarHBondContact O-N 3.16Å; D57-V60 PolarHBondContact O-N 2.97Å; D57-V61 VanDerWaalsContact O-CG2 3.24Å; D57-V61 WeakPolarHBondContact O-CG2 3.49Å; D57-V61 PolarHBondContact O-N 3.18Å |
| 58 | S | 72.1 | Confident | 72.3 | Confident | 65 Ų | 65 | 123.2 Ų | 123.2 | 46% | 0.455 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.2 | -42.2 | 174.7 | -170.7 | 0 | 0 | 0 | 0 | 112.1 | V60 V61 M62 | S58-V60 PolarHBondContact O-N 3.44Å; S58-V61 PolarHBondContact O-N 3.34Å; S58-M62 WeakPolarHBondContact O-CB 3.45Å; S58-M62 WeakPolarHBondContact O-CG 3.45Å; S58-M62 PolarHBondContact O-N 3.15Å |
| 59 | A | 77.6 | Confident | 74.2 | Confident | 62 Ų | 62 | 116 Ų | 116 | 51% | 0.512 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.2 | -39.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E55 D57 M62 K63 | E55-A59 WeakPolarHBondContact O-CB 3.25Å; E55-A59 PolarHBondContact O-N 3.22Å; D57-A59 PolarHBondContact O-N 3.16Å; A59-M62 PolarHBondContact O-N 3.38Å; A59-K63 PolarHBondContact O-N 3.47Å |
| 60 | V | 80 | Confident | 76.3 | Confident | 94 Ų | 94 | 108.6 Ų | 108.6 | 57% | 0.57 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.7 | -45.7 | 175.5 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | G56 D57 S58 M62 K63 Q64 | G56-V60 VanDerWaalsContact O-CG2 3.31Å; G56-V60 WeakPolarHBondContact O-CG2 3.27Å; G56-V60 PolarHBondContact O-N 3.05Å; D57-V60 PolarHBondContact O-N 2.97Å; S58-V60 PolarHBondContact O-N 3.44Å; V60-M62 VanDerWaalsContact C-N 3.32Å; V60-M62 PolarHBondContact O-N 3.35Å; V60-K63 PolarHBondContact O-N 3.26Å; V60-Q64 PolarHBondContact O-N 2.97Å |
| 61 | V | 84.5 | Confident | 78 | Confident | 78 Ų | 78 | 109.5 Ų | 109.5 | 47% | 0.473 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.5 | -40.6 | 175.4 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | D57 S58 Q64 R65 | D57-V61 VanDerWaalsContact O-CG2 3.24Å; D57-V61 WeakPolarHBondContact O-CG2 3.49Å; D57-V61 PolarHBondContact O-N 3.18Å; S58-V61 PolarHBondContact O-N 3.34Å; V61-Q64 PolarHBondContact O-N 3.1Å; V61-R65 WeakPolarHBondContact O-CB 3.42Å; V61-R65 PolarHBondContact O-N 3.4Å |
| 62 | M | 86.6 | Confident | 80.4 | Confident | 88 Ų | 88 | 108 Ų | 108 | 43% | 0.433 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.3 | -40.7 | 176.1 | -70.1 | -67.2 | 175.7 | 0 | 0 | 112.6 | S58 A59 V60 R65 S66 | S58-M62 WeakPolarHBondContact O-CB 3.45Å; S58-M62 WeakPolarHBondContact O-CG 3.45Å; S58-M62 PolarHBondContact O-N 3.15Å; A59-M62 PolarHBondContact O-N 3.38Å; V60-M62 VanDerWaalsContact C-N 3.32Å; V60-M62 PolarHBondContact O-N 3.35Å; M62-R65 PolarHBondContact O-N 3.16Å; M62-R65 PolarHBondContact SD-NH2 3.43Å; M62-S66 WeakPolarHBondContact O-CB 3.28Å; M62-S66 PolarHBondContact O-N 3.47Å; M62-S66 PolarHBondContact O-OG 3.44Å |
| 63 | K | 86.9 | Confident | 82.4 | Confident | 161 Ų | 161 | 104.1 Ų | 104.1 | 70% | 0.7 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.9 | -39.4 | 175.9 | -172.4 | 178.4 | 179.9 | -177.8 | 0 | 111.9 | A59 V60 S66 A67 | A59-K63 PolarHBondContact O-N 3.47Å; V60-K63 PolarHBondContact O-N 3.26Å; K63-S66 PolarHBondContact O-N 2.81Å; K63-S66 PolarHBondContact O-OG 3.14Å; K63-A67 WeakPolarHBondContact O-CB 3.27Å; K63-A67 PolarHBondContact O-N 2.94Å |
| 64 | Q | 90.3 | Very high | 84.6 | Confident | 131 Ų | 131 | 97.3 Ų | 97.3 | 61% | 0.612 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.1 | -41.9 | 175 | -171.4 | 178.3 | 6.4 | 0 | 0 | 111.3 | V60 V61 A67 A68 | V60-Q64 PolarHBondContact O-N 2.97Å; V61-Q64 PolarHBondContact O-N 3.1Å; Q64-A67 PolarHBondContact O-N 3.33Å; Q64-A68 WeakPolarHBondContact O-CB 3.42Å; Q64-A68 PolarHBondContact O-N 3.34Å |
| 65 | R | 95.3 | Very high | 86.7 | Confident | 146 Ų | 146 | 96.3 Ų | 96.3 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.4 | -43.3 | 174.9 | -172.2 | 178.1 | 70.3 | 172.6 | 5.9 | 111.9 | V61 M62 A68 N69 | V61-R65 WeakPolarHBondContact O-CB 3.42Å; V61-R65 PolarHBondContact O-N 3.4Å; M62-R65 PolarHBondContact O-N 3.16Å; M62-R65 PolarHBondContact SD-NH2 3.43Å; R65-A68 PolarHBondContact O-N 2.98Å; R65-N69 WeakPolarHBondContact O-CB 3.44Å; R65-N69 PolarHBondContact O-N 3.29Å; R65-N69 PolarHBondContact O-OD1 3.19Å |
| 66 | S | 95 | Very high | 88.8 | Confident | 62 Ų | 62 | 91.3 Ų | 91.3 | 43% | 0.434 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 177.9 | 71.2 | 0 | 0 | 0 | 0 | 111.8 | M62 K63 N69 A70 | M62-S66 WeakPolarHBondContact O-CB 3.28Å; M62-S66 PolarHBondContact O-N 3.47Å; M62-S66 PolarHBondContact O-OG 3.44Å; K63-S66 PolarHBondContact O-N 2.81Å; K63-S66 PolarHBondContact O-OG 3.14Å; S66-N69 PolarHBondContact O-N 3.04Å; S66-A70 WeakPolarHBondContact O-CB 3.47Å; S66-A70 PolarHBondContact O-N 3.12Å |
| 67 | A | 94.6 | Very high | 90.7 | Very high | 38 Ų | 38 | 94.4 Ų | 94.4 | 31% | 0.314 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.3 | -43 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | K63 Q64 A70 R71 | K63-A67 WeakPolarHBondContact O-CB 3.27Å; K63-A67 PolarHBondContact O-N 2.94Å; Q64-A67 PolarHBondContact O-N 3.33Å; A67-A70 PolarHBondContact O-N 3.35Å; A67-R71 WeakPolarHBondContact O-CG 3.48Å; A67-R71 PolarHBondContact O-N 3.28Å |
| 68 | A | 96.3 | Very high | 92.5 | Very high | 37 Ų | 37 | 92.1 Ų | 92.1 | 31% | 0.306 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | Q64 R65 A70 R71 E72 | Q64-A68 WeakPolarHBondContact O-CB 3.42Å; Q64-A68 PolarHBondContact O-N 3.34Å; R65-A68 PolarHBondContact O-N 2.98Å; A68-A70 VanDerWaalsContact C-N 3.3Å; A68-A70 PolarHBondContact O-N 2.93Å; A68-R71 PolarHBondContact O-N 3.49Å; A68-E72 PolarHBondContact O-N 3.27Å |
| 69 | N | 98.1 | Very high | 93.7 | Very high | 79 Ų | 79 | 91.9 Ų | 91.9 | 42% | 0.422 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.2 | -36.1 | 176.4 | -70.2 | -10.1 | 0 | 0 | 0 | 112.2 | R65 S66 E72 R73 | R65-N69 WeakPolarHBondContact O-CB 3.44Å; R65-N69 PolarHBondContact O-N 3.29Å; R65-N69 PolarHBondContact O-OD1 3.19Å; S66-N69 PolarHBondContact O-N 3.04Å; N69-E72 PolarHBondContact O-N 3.35Å; N69-R73 WeakPolarHBondContact O-CG 3.44Å; N69-R73 PolarHBondContact O-N 3.18Å |
| 70 | A | 97.6 | Very high | 94.7 | Very high | 49 Ų | 49 | 91.2 Ų | 91.2 | 41% | 0.405 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.5 | -44 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S66 A67 A68 E72 R73 G74 | S66-A70 WeakPolarHBondContact O-CB 3.47Å; S66-A70 PolarHBondContact O-N 3.12Å; A67-A70 PolarHBondContact O-N 3.35Å; A68-A70 VanDerWaalsContact C-N 3.3Å; A68-A70 PolarHBondContact O-N 2.93Å; A70-E72 PolarHBondContact O-N 3.17Å; A70-R73 PolarHBondContact O-N 3.43Å; A70-G74 PolarHBondContact O-N 3.26Å |
| 71 | R | 98.1 | Very high | 95.5 | Very high | 162 Ų | 162 | 90.6 Ų | 90.6 | 61% | 0.611 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -60.7 | -44.2 | 174.6 | -68.8 | -173.3 | -63.7 | -99.3 | 4.7 | 112 | A67 A68 R73 G74 R75 | A67-R71 WeakPolarHBondContact O-CG 3.48Å; A67-R71 PolarHBondContact O-N 3.28Å; A68-R71 PolarHBondContact O-N 3.49Å; R71-R73 VanDerWaalsContact C-N 3.33Å; R71-R73 PolarHBondContact O-N 2.97Å; R71-G74 WeakPolarHBondContact O-CA 3.4Å; R71-G74 PolarHBondContact O-N 3.1Å; R71-G74 VanDerWaalsContact O-N 3.11Å; R71-R75 PolarHBondContact O-N 3.05Å |
| 72 | E | 98.3 | Very high | 96.2 | Very high | 86 Ų | 86 | 89.9 Ų | 89.9 | 40% | 0.402 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.5 | -36.3 | 179.6 | 178.4 | 53 | -157.8 | 0 | 0 | 112.7 | A68 N69 A70 R75 T76 | A68-E72 PolarHBondContact O-N 3.27Å; N69-E72 PolarHBondContact O-N 3.35Å; A70-E72 PolarHBondContact O-N 3.17Å; E72-R75 PolarHBondContact O-N 3.1Å; E72-R75 IonicContact OE1-CZ 3.39Å; E72-R75 IonicContact OE1-NE 3.32Å; E72-R75 PolarHBondContact OE1-NE 3.48Å; E72-R75 IonicContact OE1-NH2 2.66Å; E72-R75 PolarHBondContact OE1-NH2 3.01Å; E72-R75 IonicContact OE2-CZ 3.64Å; E72-R75 IonicContact OE2-NE 2.78Å; E72-R75 PolarHBondContact OE2-NE 3.39Å; E72-R75 IonicContact OE2-NH2 3.64Å; E72-T76 WeakPolarHBondContact O-CB 3.17Å; E72-T76 PolarHBondContact O-N 3.24Å; E72-T76 PolarHBondContact O-OG1 3.36Å; E72-T76 PolarHBondContact OE1-OG1 3.42Å |
| 73 | R | 98.4 | Very high | 96.7 | Very high | 160 Ų | 160 | 87.3 Ų | 87.3 | 60% | 0.604 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61.3 | -43.9 | 169.9 | -76.5 | -171.9 | -68.3 | -98 | 3 | 111.7 | N69 A70 R71 T76 Q77 | N69-R73 WeakPolarHBondContact O-CG 3.44Å; N69-R73 PolarHBondContact O-N 3.18Å; A70-R73 PolarHBondContact O-N 3.43Å; R71-R73 VanDerWaalsContact C-N 3.33Å; R71-R73 PolarHBondContact O-N 2.97Å; R73-T76 PolarHBondContact O-N 3.49Å; R73-Q77 WeakPolarHBondContact O-CB 3.26Å; R73-Q77 PolarHBondContact O-N 3.3Å |
| 74 | G | 98.4 | Very high | 97.2 | Very high | 44 Ų | 44 | 83.4 Ų | 83.4 | 45% | 0.454 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60 | -45.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A70 R71 T76 Q77 S78 | A70-G74 PolarHBondContact O-N 3.26Å; R71-G74 WeakPolarHBondContact O-CA 3.4Å; R71-G74 PolarHBondContact O-N 3.1Å; R71-G74 VanDerWaalsContact O-N 3.11Å; G74-T76 PolarHBondContact O-N 3.03Å; G74-Q77 PolarHBondContact O-N 2.97Å; G74-S78 PolarHBondContact O-N 3.42Å |
| 75 | R | 98.5 | Very high | 97.5 | Very high | 140 Ų | 140 | 79.8 Ų | 79.8 | 53% | 0.528 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.2 | -46.8 | 174.9 | -166.9 | -166.8 | 69.6 | 76.4 | 1.3 | 111.6 | R71 E72 Q77 S78 V79 | R71-R75 PolarHBondContact O-N 3.05Å; E72-R75 PolarHBondContact O-N 3.1Å; E72-R75 IonicContact OE1-CZ 3.39Å; E72-R75 IonicContact OE1-NE 3.32Å; E72-R75 PolarHBondContact OE1-NE 3.48Å; E72-R75 IonicContact OE1-NH2 2.66Å; E72-R75 PolarHBondContact OE1-NH2 3.01Å; E72-R75 IonicContact OE2-CZ 3.64Å; E72-R75 IonicContact OE2-NE 2.78Å; E72-R75 PolarHBondContact OE2-NE 3.39Å; E72-R75 IonicContact OE2-NH2 3.64Å; R75-Q77 VanDerWaalsContact C-N 3.34Å; R75-Q77 PolarHBondContact O-N 3.47Å; R75-S78 WeakPolarHBondContact O-CB 3.49Å; R75-S78 PolarHBondContact O-N 3.48Å; R75-V79 WeakPolarHBondContact O-CG2 2.96Å; R75-V79 PolarHBondContact O-N 3.31Å; R75-V79 VanDerWaalsContact O-N 3.16Å |
| 76 | T | 98.4 | Very high | 97.5 | Very high | 52 Ų | 52 | 75.4 Ų | 75.4 | 32% | 0.319 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 178.3 | -62.9 | 0 | 0 | 0 | 0 | 111.9 | E72 R73 G74 V79 N80 | E72-T76 WeakPolarHBondContact O-CB 3.17Å; E72-T76 PolarHBondContact O-N 3.24Å; E72-T76 PolarHBondContact O-OG1 3.36Å; E72-T76 PolarHBondContact OE1-OG1 3.42Å; R73-T76 PolarHBondContact O-N 3.49Å; G74-T76 PolarHBondContact O-N 3.03Å; T76-V79 PolarHBondContact O-N 3.47Å; T76-N80 VanDerWaalsContact O-CG 3.28Å; T76-N80 PolarHBondContact O-N 3.37Å; T76-N80 PolarHBondContact O-ND2 3.15Å |
| 77 | Q | 98.4 | Very high | 97.5 | Very high | 119 Ų | 119 | 75.7 Ų | 75.7 | 56% | 0.556 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -62.8 | -44.6 | 175.7 | -175.6 | 61.3 | 20.5 | 0 | 0 | 111.3 | R73 G74 R75 V79 N80 T81 | R73-Q77 WeakPolarHBondContact O-CB 3.26Å; R73-Q77 PolarHBondContact O-N 3.3Å; G74-Q77 PolarHBondContact O-N 2.97Å; R75-Q77 VanDerWaalsContact C-N 3.34Å; R75-Q77 PolarHBondContact O-N 3.47Å; Q77-V79 VanDerWaalsContact C-N 3.34Å; Q77-V79 PolarHBondContact O-N 3.11Å; Q77-N80 PolarHBondContact O-N 3.42Å; Q77-N80 VanDerWaalsContact O-N 3.14Å; Q77-T81 PolarHBondContact O-N 3.39Å; Q77-T81 PolarHBondContact O-OG1 3.47Å; Q77-T81 VanDerWaalsContact O-OG1 3.07Å |
| 78 | S | 98.4 | Very high | 97.4 | Very high | 82 Ų | 82 | 79.3 Ų | 79.3 | 57% | 0.573 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -56.3 | -46.8 | 174.9 | 176.9 | 0 | 0 | 0 | 0 | 112 | G74 R75 N80 T81 A82 | G74-S78 PolarHBondContact O-N 3.42Å; R75-S78 WeakPolarHBondContact O-CB 3.49Å; R75-S78 PolarHBondContact O-N 3.48Å; S78-N80 VanDerWaalsContact C-N 3.35Å; S78-N80 PolarHBondContact O-N 3.14Å; S78-T81 PolarHBondContact O-N 3.2Å; S78-A82 PolarHBondContact O-N 3.03Å |
| 79 | V | 98.3 | Very high | 97.3 | Very high | 59 Ų | 59 | 83.3 Ų | 83.3 | 36% | 0.358 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 175.8 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | R75 T76 Q77 A82 F83 | R75-V79 WeakPolarHBondContact O-CG2 2.96Å; R75-V79 PolarHBondContact O-N 3.31Å; R75-V79 VanDerWaalsContact O-N 3.16Å; T76-V79 PolarHBondContact O-N 3.47Å; Q77-V79 VanDerWaalsContact C-N 3.34Å; Q77-V79 PolarHBondContact O-N 3.11Å; V79-A82 PolarHBondContact O-N 2.91Å; V79-F83 HydrophobicContact CG1-CD2 3.97Å; V79-F83 HydrophobicContact CG1-CE2 4.22Å; V79-F83 PolarHBondContact O-N 3.42Å |
| 80 | N | 98 | Very high | 97.1 | Very high | 49 Ų | 49 | 80 Ų | 80 | 26% | 0.262 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67 | -37.1 | 179.3 | -70.5 | -27.8 | 0 | 0 | 0 | 112 | T76 Q77 S78 F83 T84 K101 | T76-N80 VanDerWaalsContact O-CG 3.28Å; T76-N80 PolarHBondContact O-N 3.37Å; T76-N80 PolarHBondContact O-ND2 3.15Å; Q77-N80 PolarHBondContact O-N 3.42Å; Q77-N80 VanDerWaalsContact O-N 3.14Å; S78-N80 VanDerWaalsContact C-N 3.35Å; S78-N80 PolarHBondContact O-N 3.14Å; N80-F83 WeakPolarHBondContact O-CB 3.42Å; N80-F83 PolarHBondContact O-N 2.85Å; N80-T84 PolarHBondContact O-N 2.99Å; N80-T84 PolarHBondContact O-OG1 3.36Å; N80-T84 VanDerWaalsContact O-OG1 3.11Å; N80-K101 PolarHBondContact OD1-NZ 2.83Å; N80-K101 VanDerWaalsContact OD1-NZ 3.11Å |
| 81 | T | 98.1 | Very high | 96.6 | Very high | 81 Ų | 81 | 79.6 Ų | 79.6 | 50% | 0.497 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 173.2 | -59.1 | 0 | 0 | 0 | 0 | 111 | Q77 S78 F83 T84 A85 | Q77-T81 PolarHBondContact O-N 3.39Å; Q77-T81 PolarHBondContact O-OG1 3.47Å; Q77-T81 VanDerWaalsContact O-OG1 3.07Å; S78-T81 PolarHBondContact O-N 3.2Å; T81-F83 VanDerWaalsContact C-N 3.33Å; T81-F83 PolarHBondContact O-N 3.13Å; T81-T84 PolarHBondContact O-N 3.15Å; T81-T84 VanDerWaalsContact O-N 3.12Å; T81-A85 PolarHBondContact O-N 3.21Å |
| 82 | A | 98.1 | Very high | 96.1 | Very high | 62 Ų | 62 | 72.4 Ų | 72.4 | 51% | 0.512 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S78 V79 T84 A85 L86 | S78-A82 PolarHBondContact O-N 3.03Å; V79-A82 PolarHBondContact O-N 2.91Å; A82-T84 VanDerWaalsContact C-N 3.32Å; A82-T84 PolarHBondContact O-N 3.21Å; A82-A85 PolarHBondContact O-N 3.28Å; A82-L86 WeakPolarHBondContact O-CB 3.33Å; A82-L86 PolarHBondContact O-N 3.34Å |
| 83 | F | 97.9 | Very high | 95.4 | Very high | 34 Ų | 34 | 72.8 Ų | 72.8 | 15% | 0.149 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62 | -37.5 | 173.8 | -103.7 | -81.8 | 0 | 0 | 0 | 112.6 | V79 N80 T81 L86 R87 K101 T104 L105 | V79-F83 HydrophobicContact CG1-CD2 3.97Å; V79-F83 HydrophobicContact CG1-CE2 4.22Å; V79-F83 PolarHBondContact O-N 3.42Å; N80-F83 WeakPolarHBondContact O-CB 3.42Å; N80-F83 PolarHBondContact O-N 2.85Å; T81-F83 VanDerWaalsContact C-N 3.33Å; T81-F83 PolarHBondContact O-N 3.13Å; F83-L86 PolarHBondContact O-N 3.02Å; F83-R87 WeakPolarHBondContact O-CG 3.35Å; F83-R87 PolarHBondContact O-N 3.22Å; F83-R87 VanDerWaalsContact O-N 3.13Å; F83-R87 PolarHBondContact O-NH1 3.29Å; F83-K101 HydrophobicContact CD1-CB 4.49Å; F83-K101 HydrophobicContact CD1-CG 4.2Å; F83-K101 HydrophobicContact CE1-CB 3.88Å; F83-K101 HydrophobicContact CE1-CG 4.02Å; F83-K101 HydrophobicContact CZ-CB 4.18Å; F83-K101 HydrophobicContact CZ-CG 4.3Å; F83-T104 HydrophobicContact CD1-CG2 4.16Å; F83-T104 HydrophobicContact CE1-CG2 4.39Å; F83-L105 HydrophobicContact CE1-CD2 4.12Å; F83-L105 HydrophobicContact CE1-CG 4.09Å; F83-L105 HydrophobicContact CZ-CD1 4.22Å; F83-L105 HydrophobicContact CZ-CD2 3.98Å; F83-L105 HydrophobicContact CZ-CG 4.08Å |
| 84 | T | 96.1 | Very high | 94.6 | Very high | 80 Ų | 80 | 68.4 Ų | 68.4 | 49% | 0.491 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68 | -44.3 | 176.6 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | N80 T81 A82 L86 R87 T88 | N80-T84 PolarHBondContact O-N 2.99Å; N80-T84 PolarHBondContact O-OG1 3.36Å; N80-T84 VanDerWaalsContact O-OG1 3.11Å; T81-T84 PolarHBondContact O-N 3.15Å; T81-T84 VanDerWaalsContact O-N 3.12Å; A82-T84 VanDerWaalsContact C-N 3.32Å; A82-T84 PolarHBondContact O-N 3.21Å; T84-L86 VanDerWaalsContact C-N 3.31Å; T84-L86 PolarHBondContact O-N 2.04Å; T84-R87 WeakPolarHBondContact O-CB 3.38Å; T84-R87 PolarHBondContact O-N 3.18Å; T84-R87 VanDerWaalsContact O-N 3.15Å; T84-T88 PolarHBondContact O-N 3.44Å |
| 85 | A | 96.4 | Very high | 93.6 | Very high | 54 Ų | 54 | 72.6 Ų | 72.6 | 45% | 0.446 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.2 | -40.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | T81 A82 R87 T88 | T81-A85 PolarHBondContact O-N 3.21Å; A82-A85 PolarHBondContact O-N 3.28Å; A85-R87 VanDerWaalsContact C-N 3.31Å; A85-R87 PolarHBondContact O-N 2.83Å; A85-T88 PolarHBondContact O-N 3.39Å; A85-T88 PolarHBondContact O-OG1 3.22Å |
| 86 | L | 96.3 | Very high | 92.7 | Very high | 54 Ų | 54 | 71.8 Ų | 71.8 | 28% | 0.283 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.4 | -39.4 | 175.6 | -178.4 | 58.5 | 0 | 0 | 0 | 112 | A82 F83 T84 T88 L89 I90 T104 L105 A108 | A82-L86 WeakPolarHBondContact O-CB 3.33Å; A82-L86 PolarHBondContact O-N 3.34Å; F83-L86 PolarHBondContact O-N 3.02Å; T84-L86 VanDerWaalsContact C-N 3.31Å; T84-L86 PolarHBondContact O-N 2.04Å; L86-T88 VanDerWaalsContact C-N 3.31Å; L86-T88 PolarHBondContact O-N 3.21Å; L86-L89 PolarHBondContact O-N 3.42Å; L86-I90 HydrophobicContact CG-CD1 4.39Å; L86-I90 WeakPolarHBondContact O-CG1 3.46Å; L86-T104 HydrophobicContact CB-CG2 4.29Å; L86-T104 HydrophobicContact CD2-CG2 3.7Å; L86-T104 HydrophobicContact CG-CG2 3.78Å; L86-L105 HydrophobicContact CD2-CD2 4.5Å; L86-A108 HydrophobicContact CD1-CB 4.03Å; L86-A108 HydrophobicContact CD2-CB 4.24Å; L86-A108 HydrophobicContact CG-CB 4.42Å |
| 87 | R | 95 | Very high | 92.2 | Very high | 69 Ų | 69 | 71.9 Ų | 71.9 | 26% | 0.26 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.3 | -36.6 | 178.6 | -72.2 | -178.8 | -166 | 94.4 | -2.6 | 112.9 | F83 T84 A85 L89 I90 L99 T104 | F83-R87 WeakPolarHBondContact O-CG 3.35Å; F83-R87 PolarHBondContact O-N 3.22Å; F83-R87 VanDerWaalsContact O-N 3.13Å; F83-R87 PolarHBondContact O-NH1 3.29Å; T84-R87 WeakPolarHBondContact O-CB 3.38Å; T84-R87 PolarHBondContact O-N 3.18Å; T84-R87 VanDerWaalsContact O-N 3.15Å; A85-R87 VanDerWaalsContact C-N 3.31Å; A85-R87 PolarHBondContact O-N 2.83Å; R87-L89 PolarHBondContact O-N 3.05Å; R87-I90 PolarHBondContact O-N 3.27Å; R87-L99 HydrophobicContact CG-CB 4.37Å; R87-L99 PolarHBondContact NE-O 3.13Å; R87-T104 HydrophobicContact CG-CG2 3.84Å |
| 88 | T | 93 | Very high | 91.7 | Very high | 113 Ų | 113 | 75.7 Ų | 75.7 | 69% | 0.693 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -69.5 | -18.5 | -179.2 | 63 | 0 | 0 | 0 | 0 | 112.8 | T84 A85 L86 | T84-T88 PolarHBondContact O-N 3.44Å; A85-T88 PolarHBondContact O-N 3.39Å; A85-T88 PolarHBondContact O-OG1 3.22Å; L86-T88 VanDerWaalsContact C-N 3.31Å; L86-T88 PolarHBondContact O-N 3.21Å |
| 89 | L | 93.7 | Very high | 91.3 | Very high | 121 Ų | 121 | 72.3 Ų | 72.3 | 63% | 0.634 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -11.5 | 177.2 | -60.1 | 175.8 | 0 | 0 | 0 | 113 | L86 R87 P91 | L86-L89 PolarHBondContact O-N 3.42Å; R87-L89 PolarHBondContact O-N 3.05Å; L89-P91 WeakPolarHBondContact O-CD 3.12Å |
| 90 | I | 92.5 | Very high | 91.1 | Very high | 10 Ų | 10 | 71.8 Ų | 71.8 | 5% | 0.051 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -88.9 | 119 | -178.1 | -64.8 | 170.1 | 0 | 0 | 0 | 109.3 | L86 R87 T92 L99 T104 L107 A108 | L86-I90 HydrophobicContact CG-CD1 4.39Å; L86-I90 WeakPolarHBondContact O-CG1 3.46Å; R87-I90 PolarHBondContact O-N 3.27Å; I90-T92 HydrophobicContact CG2-CG2 4.09Å; I90-T92 PolarHBondContact O-N 3.04Å; I90-L99 HydrophobicContact CB-CD1 4.24Å; I90-L99 HydrophobicContact CD1-CD1 4.04Å; I90-L99 HydrophobicContact CG2-CD1 3.99Å; I90-T104 HydrophobicContact CD1-CG2 3.59Å; I90-T104 WeakPolarHBondContact CD1-O 3.39Å; I90-L107 HydrophobicContact CD1-CB 4.25Å; I90-L107 HydrophobicContact CG2-CB 3.78Å; I90-L107 HydrophobicContact CG2-CD1 4.04Å; I90-A108 HydrophobicContact CD1-CB 4.2Å |
| 91 | P | 89 | Confident | 90.9 | Very high | 40 Ų | 40 | 74.4 Ų | 74.4 | 26% | 0.26 | 41% | 0.409 | S | S | . | . | trans | -70.3 | 117.2 | 178.5 | -20.8 | 35 | 0 | 0 | 0 | 112.5 | L89 Y111 C150 T151 | L89-P91 WeakPolarHBondContact O-CD 3.12Å; P91-Y111 HydrophobicContact CG-CD2 4.38Å; P91-Y111 HydrophobicContact CG-CE1 4.14Å; P91-Y111 HydrophobicContact CG-CE2 3.91Å; P91-C150 WeakPolarHBondContact O-CA 3.47Å; P91-C150 PolarHBondContact O-SG 3.25Å; P91-T151 WeakPolarHBondContact CB-OG1 3.41Å; P91-T151 PolarHBondContact O-N 3.34Å | ||
| 92 | T | 87.6 | Confident | 90.8 | Very high | 12 Ų | 12 | 75 Ų | 75 | 7% | 0.074 | 41% | 0.408 | C | S | . | . | B | Isolated β-bridge | trans | -131.1 | 154.9 | 177.1 | 61.4 | 0 | 0 | 0 | 0 | 112.9 | I90 P94 V95 L99 | I90-T92 HydrophobicContact CG2-CG2 4.09Å; I90-T92 PolarHBondContact O-N 3.04Å; T92-P94 CarbonylContact C-O 3.35Å; T92-P94 CarbonylContact O-C 3.31Å; T92-P94 VanDerWaalsContact O-C 3.31Å; T92-P94 PolarHBondContact OG1-O 3.1Å; T92-V95 WeakPolarHBondContact O-CA 3.34Å; T92-V95 PolarHBondContact O-N 3.3Å; T92-L99 HydrophobicContact CG2-CD1 4.1Å; T92-L99 HydrophobicContact CG2-CD2 4.33Å |
| 93 | E | 81.8 | Confident | 90.4 | Very high | 94 Ų | 94 | 75.1 Ų | 75.1 | 44% | 0.439 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -119.7 | 114.9 | 170.4 | -163.9 | 130.9 | -144 | 0 | 0 | 108.8 | T151 L154 | E93-T151 HydrophobicContact CB-CG2 3.78Å; E93-L154 HydrophobicContact CB-CD2 4.31Å; E93-L154 HydrophobicContact CG-CD2 4.45Å |
| 94 | P | 82.3 | Confident | 90.2 | Very high | 67 Ų | 67 | 73.5 Ų | 73.5 | 44% | 0.435 | 39% | 0.392 | S | S | . | . | S | Bend | cis | -70.8 | 162.5 | -4.6 | 34.4 | -38.3 | 0 | 0 | 0 | 113 | T92 D96 R97 | T92-P94 CarbonylContact C-O 3.35Å; T92-P94 CarbonylContact O-C 3.31Å; T92-P94 VanDerWaalsContact O-C 3.31Å; T92-P94 PolarHBondContact OG1-O 3.1Å; P94-D96 VanDerWaalsContact C-N 3.25Å; P94-D96 WeakPolarHBondContact CB-OD1 3.38Å; P94-D96 PolarHBondContact O-N 3.36Å; P94-R97 WeakPolarHBondContact O-CB 3.37Å; P94-R97 PolarHBondContact O-N 3.42Å |
| 95 | V | 77.1 | Confident | 90.2 | Very high | 132 Ų | 132 | 73.8 Ų | 73.8 | 80% | 0.8 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -27.3 | -173.9 | 66 | 0 | 0 | 0 | 0 | 113.2 | T92 R97 | T92-V95 WeakPolarHBondContact O-CA 3.34Å; T92-V95 PolarHBondContact O-N 3.3Å; V95-R97 VanDerWaalsContact C-N 3.3Å; V95-R97 PolarHBondContact O-N 3.07Å |
| 96 | D | 81.1 | Confident | 89.9 | Confident | 123 Ų | 123 | 77.9 Ų | 77.9 | 66% | 0.658 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 15.3 | -179.5 | 63.4 | -41.8 | 0 | 0 | 0 | 113 | P94 K98 | P94-D96 VanDerWaalsContact C-N 3.25Å; P94-D96 WeakPolarHBondContact CB-OD1 3.38Å; P94-D96 PolarHBondContact O-N 3.36Å; D96-K98 PolarHBondContact O-N 3.12Å |
| 97 | R | 86.2 | Confident | 89.6 | Confident | 55 Ų | 55 | 76.5 Ų | 76.5 | 21% | 0.208 | 39% | 0.386 | C | S | . | . | trans | -58 | 123.5 | 176.5 | 178.6 | -175.3 | 165.1 | -178.1 | -0.5 | 110.7 | P94 V95 L99 E103 T148 | P94-R97 WeakPolarHBondContact O-CB 3.37Å; P94-R97 PolarHBondContact O-N 3.42Å; V95-R97 VanDerWaalsContact C-N 3.3Å; V95-R97 PolarHBondContact O-N 3.07Å; R97-L99 HydrophobicContact CG-CD2 4.2Å; R97-L99 PolarHBondContact O-N 2.88Å; R97-E103 IonicContact CZ-OE1 3.98Å; R97-E103 IonicContact NH2-OE1 2.81Å; R97-E103 PolarHBondContact NH2-OE1 2.95Å; R97-T148 PolarHBondContact NH1-O 3.11Å | ||
| 98 | K | 88.1 | Confident | 89.5 | Confident | 199 Ų | 199 | 73.9 Ų | 73.9 | 87% | 0.865 | 38% | 0.379 | S | S | * | . | trans | -73.5 | 109.6 | 172.4 | -63.2 | -177.4 | -178.7 | 176.5 | 0 | 110.4 | D96 | D96-K98 PolarHBondContact O-N 3.12Š| ||
| 99 | L | 90.1 | Very high | 89.5 | Confident | 10 Ų | 10 | 72.2 Ų | 72.2 | 5% | 0.052 | 37% | 0.372 | C | S | . | . | trans | -92.5 | 132.2 | 175.7 | -61.5 | 173.9 | 0 | 0 | 0 | 111.4 | R87 I90 T92 R97 E103 T104 L107 | R87-L99 HydrophobicContact CG-CB 4.37Å; R87-L99 PolarHBondContact NE-O 3.13Å; I90-L99 HydrophobicContact CB-CD1 4.24Å; I90-L99 HydrophobicContact CD1-CD1 4.04Å; I90-L99 HydrophobicContact CG2-CD1 3.99Å; T92-L99 HydrophobicContact CG2-CD1 4.1Å; T92-L99 HydrophobicContact CG2-CD2 4.33Å; R97-L99 HydrophobicContact CG-CD2 4.2Å; R97-L99 PolarHBondContact O-N 2.88Å; L99-E103 HydrophobicContact CD2-CB 4.39Å; L99-T104 WeakPolarHBondContact CB-OG1 3.39Å; L99-L107 HydrophobicContact CD1-CD1 3.9Å; L99-L107 HydrophobicContact CD2-CD1 3.65Å; L99-L107 HydrophobicContact CG-CD1 4.43Å | ||
| 100 | S | 94.5 | Very high | 89.2 | Confident | 48 Ų | 48 | 67 Ų | 67 | 34% | 0.336 | 35% | 0.346 | S | S | . | . | trans | -65.3 | 164.8 | 168.2 | 68.5 | 0 | 0 | 0 | 0 | 111.5 | I102 E103 T104 | S100-I102 VanDerWaalsContact C-N 3.31Å; S100-I102 PolarHBondContact O-N 3.41Å; S100-I102 WeakPolarHBondContact OG-CG2 3.17Å; S100-E103 VanDerWaalsContact CB-OE2 3.22Å; S100-E103 WeakPolarHBondContact CB-OE2 3.37Å; S100-E103 PolarHBondContact N-OE2 3.29Å; S100-E103 PolarHBondContact O-N 3.43Å; S100-E103 WeakPolarHBondContact OG-CB 3.46Å; S100-E103 WeakPolarHBondContact OG-CG 3.34Å; S100-E103 PolarHBondContact OG-N 3.28Å; S100-E103 PolarHBondContact OG-OE2 2.96Å; S100-T104 WeakPolarHBondContact O-CB 3.42Å; S100-T104 PolarHBondContact O-N 3.27Å; S100-T104 PolarHBondContact O-OG1 3.42Å | ||
| 101 | K | 95 | Very high | 89.1 | Confident | 104 Ų | 104 | 70 Ų | 70 | 45% | 0.452 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.2 | -45.1 | 179 | -71 | -173.8 | 175.7 | -174.1 | 0 | 111.6 | N80 F83 T104 L105 | N80-K101 PolarHBondContact OD1-NZ 2.83Å; N80-K101 VanDerWaalsContact OD1-NZ 3.11Å; F83-K101 HydrophobicContact CD1-CB 4.49Å; F83-K101 HydrophobicContact CD1-CG 4.2Å; F83-K101 HydrophobicContact CE1-CB 3.88Å; F83-K101 HydrophobicContact CE1-CG 4.02Å; F83-K101 HydrophobicContact CZ-CB 4.18Å; F83-K101 HydrophobicContact CZ-CG 4.3Å; K101-T104 PolarHBondContact O-N 2.92Å; K101-L105 WeakPolarHBondContact O-CG 3.16Å; K101-L105 PolarHBondContact O-N 2.9Å |
| 102 | I | 95.1 | Very high | 89.2 | Confident | 93 Ų | 93 | 73.6 Ų | 73.6 | 48% | 0.477 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.9 | -41.1 | -179.4 | -173 | 60 | 0 | 0 | 0 | 112.4 | S100 T104 L105 R106 | S100-I102 VanDerWaalsContact C-N 3.31Å; S100-I102 PolarHBondContact O-N 3.41Å; S100-I102 WeakPolarHBondContact OG-CG2 3.17Å; I102-T104 VanDerWaalsContact C-N 3.35Å; I102-L105 PolarHBondContact O-N 2.71Å; I102-R106 HydrophobicContact CD1-CG 4.49Å; I102-R106 WeakPolarHBondContact O-CG 3.37Å; I102-R106 PolarHBondContact O-N 2.91Å |
| 103 | E | 90.4 | Very high | 89.2 | Confident | 66 Ų | 66 | 75.8 Ų | 75.8 | 31% | 0.308 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 176 | -72.1 | 169.2 | 116.7 | 0 | 0 | 111.5 | R97 L99 S100 L105 R106 L107 | R97-E103 IonicContact CZ-OE1 3.98Å; R97-E103 IonicContact NH2-OE1 2.81Å; R97-E103 PolarHBondContact NH2-OE1 2.95Å; L99-E103 HydrophobicContact CD2-CB 4.39Å; S100-E103 VanDerWaalsContact CB-OE2 3.22Å; S100-E103 WeakPolarHBondContact CB-OE2 3.37Å; S100-E103 PolarHBondContact N-OE2 3.29Å; S100-E103 PolarHBondContact O-N 3.43Å; S100-E103 WeakPolarHBondContact OG-CB 3.46Å; S100-E103 WeakPolarHBondContact OG-CG 3.34Å; S100-E103 PolarHBondContact OG-N 3.28Å; S100-E103 PolarHBondContact OG-OE2 2.96Å; E103-L105 VanDerWaalsContact C-N 3.31Å; E103-L105 PolarHBondContact O-N 3.48Å; E103-R106 PolarHBondContact O-N 2.86Å; E103-L107 WeakPolarHBondContact O-CB 3.23Å; E103-L107 WeakPolarHBondContact O-CG 3.48Å; E103-L107 PolarHBondContact O-N 2.81Å |
| 104 | T | 93.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -55.8 | -48.1 | 177.1 | -55.1 | 0 | 0 | 0 | 0 | 110.3 | F83 L86 R87 I90 L99 S100 K101 I102 A108 | F83-T104 HydrophobicContact CD1-CG2 4.16Å; F83-T104 HydrophobicContact CE1-CG2 4.39Å; L86-T104 HydrophobicContact CB-CG2 4.29Å; L86-T104 HydrophobicContact CD2-CG2 3.7Å; L86-T104 HydrophobicContact CG-CG2 3.78Å; R87-T104 HydrophobicContact CG-CG2 3.84Å; I90-T104 HydrophobicContact CD1-CG2 3.59Å; I90-T104 WeakPolarHBondContact CD1-O 3.39Å; L99-T104 WeakPolarHBondContact CB-OG1 3.39Å; S100-T104 WeakPolarHBondContact O-CB 3.42Å; S100-T104 PolarHBondContact O-N 3.27Å; S100-T104 PolarHBondContact O-OG1 3.42Å; K101-T104 PolarHBondContact O-N 2.92Å; I102-T104 VanDerWaalsContact C-N 3.35Å; T104-A108 VanDerWaalsContact O-CB 3.23Å; T104-A108 WeakPolarHBondContact O-CB 3.23Å; T104-A108 PolarHBondContact O-N 3.4Å |
| 105 | L | 95.4 | Very high | 89.5 | Confident | 85 Ų | 85 | 73.6 Ų | 73.6 | 45% | 0.445 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.1 | -46.1 | 179 | -66 | 177.3 | 0 | 0 | 0 | 112.2 | F83 L86 K101 I102 E103 L107 A108 S109 | F83-L105 HydrophobicContact CE1-CD2 4.12Å; F83-L105 HydrophobicContact CE1-CG 4.09Å; F83-L105 HydrophobicContact CZ-CD1 4.22Å; F83-L105 HydrophobicContact CZ-CD2 3.98Å; F83-L105 HydrophobicContact CZ-CG 4.08Å; L86-L105 HydrophobicContact CD2-CD2 4.5Å; K101-L105 WeakPolarHBondContact O-CG 3.16Å; K101-L105 PolarHBondContact O-N 2.9Å; I102-L105 PolarHBondContact O-N 2.71Å; E103-L105 VanDerWaalsContact C-N 3.31Å; E103-L105 PolarHBondContact O-N 3.48Å; L105-L107 PolarHBondContact O-N 2.68Å; L105-A108 PolarHBondContact O-N 3.08Å; L105-S109 PolarHBondContact O-N 3.39Å; L105-S109 PolarHBondContact O-OG 3.33Å |
| 106 | R | 89.3 | Confident | 89.9 | Confident | 141 Ų | 141 | 69.2 Ų | 69.2 | 53% | 0.532 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 179.5 | -72.2 | 177.4 | 177.1 | -173.6 | -1 | 112.2 | I102 E103 S110 | I102-R106 HydrophobicContact CD1-CG 4.49Å; I102-R106 WeakPolarHBondContact O-CG 3.37Å; I102-R106 PolarHBondContact O-N 2.91Å; E103-R106 PolarHBondContact O-N 2.86Å; R106-S110 PolarHBondContact O-N 3.48Å; R106-S110 VanDerWaalsContact O-N 3.1Å |
| 107 | L | 90.5 | Very high | 89.9 | Confident | 24 Ų | 24 | 66 Ų | 66 | 13% | 0.126 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.9 | -40.5 | 179.3 | -71.4 | 176.9 | 0 | 0 | 0 | 111.7 | I90 L99 E103 L105 S110 Y111 C150 | I90-L107 HydrophobicContact CD1-CB 4.25Å; I90-L107 HydrophobicContact CG2-CB 3.78Å; I90-L107 HydrophobicContact CG2-CD1 4.04Å; L99-L107 HydrophobicContact CD1-CD1 3.9Å; L99-L107 HydrophobicContact CD2-CD1 3.65Å; L99-L107 HydrophobicContact CG-CD1 4.43Å; E103-L107 WeakPolarHBondContact O-CB 3.23Å; E103-L107 WeakPolarHBondContact O-CG 3.48Å; E103-L107 PolarHBondContact O-N 2.81Å; L105-L107 PolarHBondContact O-N 2.68Å; L107-S110 PolarHBondContact O-N 3.16Å; L107-Y111 WeakPolarHBondContact O-CB 3.46Å; L107-Y111 PolarHBondContact O-N 3.36Å; L107-C150 HydrophobicContact CD2-CB 3.93Å |
| 108 | A | 94.1 | Very high | 89.8 | Confident | 14 Ų | 14 | 65.9 Ų | 65.9 | 12% | 0.116 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.2 | -48.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L86 I90 T104 L105 S110 Y111 I112 | L86-A108 HydrophobicContact CD1-CB 4.03Å; L86-A108 HydrophobicContact CD2-CB 4.24Å; L86-A108 HydrophobicContact CG-CB 4.42Å; I90-A108 HydrophobicContact CD1-CB 4.2Å; T104-A108 VanDerWaalsContact O-CB 3.23Å; T104-A108 WeakPolarHBondContact O-CB 3.23Å; T104-A108 PolarHBondContact O-N 3.4Å; L105-A108 PolarHBondContact O-N 3.08Å; A108-S110 VanDerWaalsContact C-N 3.34Å; A108-S110 PolarHBondContact O-N 3.12Å; A108-Y111 PolarHBondContact O-N 2.83Å; A108-Y111 VanDerWaalsContact O-N 3.14Å; A108-I112 WeakPolarHBondContact O-CG1 3.5Å; A108-I112 PolarHBondContact O-N 2.99Å |
| 109 | S | 91.8 | Very high | 89.6 | Confident | 78 Ų | 78 | 63.7 Ų | 63.7 | 55% | 0.545 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58 | -46.5 | 175.8 | -64 | 0 | 0 | 0 | 0 | 111.8 | L105 Y111 I112 S113 | L105-S109 PolarHBondContact O-N 3.39Å; L105-S109 PolarHBondContact O-OG 3.33Å; S109-Y111 VanDerWaalsContact C-N 3.28Å; S109-Y111 PolarHBondContact O-N 3.42Å; S109-I112 PolarHBondContact O-N 3.14Å; S109-S113 PolarHBondContact O-N 3.47Å; S109-S113 VanDerWaalsContact O-N 3.11Å; S109-S113 PolarHBondContact O-OG 2.95Å |
| 110 | S | 86.9 | Confident | 89.1 | Confident | 11 Ų | 11 | 70 Ų | 70 | 8% | 0.077 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.4 | -34.3 | 177.7 | -173.5 | 0 | 0 | 0 | 0 | 112.6 | R106 L107 A108 H114 P130 | R106-S110 PolarHBondContact O-N 3.48Å; R106-S110 VanDerWaalsContact O-N 3.1Å; L107-S110 PolarHBondContact O-N 3.16Å; A108-S110 VanDerWaalsContact C-N 3.34Å; A108-S110 PolarHBondContact O-N 3.12Å; S110-H114 WeakPolarHBondContact O-CB 3.47Å; S110-H114 PolarHBondContact O-N 3.32Å; S110-P130 WeakPolarHBondContact OG-CB 3.42Å; S110-P130 WeakPolarHBondContact OG-CG 3.22Å |
| 111 | Y | 91.4 | Very high | 88.2 | Confident | 75 Ų | 75 | 72.6 Ų | 72.6 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -71.9 | -42.7 | 179.9 | -175.3 | -137.1 | 0 | 0 | 0 | 111.5 | P91 L107 A108 S109 S113 H114 L115 | P91-Y111 HydrophobicContact CG-CD2 4.38Å; P91-Y111 HydrophobicContact CG-CE1 4.14Å; P91-Y111 HydrophobicContact CG-CE2 3.91Å; L107-Y111 WeakPolarHBondContact O-CB 3.46Å; L107-Y111 PolarHBondContact O-N 3.36Å; A108-Y111 PolarHBondContact O-N 2.83Å; A108-Y111 VanDerWaalsContact O-N 3.14Å; S109-Y111 VanDerWaalsContact C-N 3.28Å; S109-Y111 PolarHBondContact O-N 3.42Å; Y111-S113 PolarHBondContact O-N 3.11Å; Y111-H114 WeakPolarHBondContact O-CB 3.49Å; Y111-H114 PolarHBondContact O-N 3.18Å; Y111-L115 HydrophobicContact CD1-CD1 4.26Å; Y111-L115 HydrophobicContact CD2-CD1 4.39Å; Y111-L115 HydrophobicContact CD2-CG 4.11Å; Y111-L115 HydrophobicContact CE1-CD1 3.85Å; Y111-L115 HydrophobicContact CE2-CD1 3.97Å; Y111-L115 HydrophobicContact CE2-CD2 3.76Å; Y111-L115 HydrophobicContact CE2-CG 3.76Å; Y111-L115 WeakPolarHBondContact O-CG 3.4Å; Y111-L115 PolarHBondContact O-N 3.38Å |
| 112 | I | 91.7 | Very high | 86.7 | Confident | 114 Ų | 114 | 69.4 Ų | 69.4 | 59% | 0.585 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -57.6 | -49.5 | 173.5 | -66.1 | 165.5 | 0 | 0 | 0 | 110.4 | A108 S109 H114 L115 A116 | A108-I112 WeakPolarHBondContact O-CG1 3.5Å; A108-I112 PolarHBondContact O-N 2.99Å; S109-I112 PolarHBondContact O-N 3.14Å; I112-H114 VanDerWaalsContact C-N 3.28Å; I112-H114 PolarHBondContact O-N 3.27Å; I112-L115 PolarHBondContact O-N 2.83Å; I112-A116 WeakPolarHBondContact O-CB 3.34Å; I112-A116 PolarHBondContact O-N 3.03Å |
| 113 | S | 86.9 | Confident | 85 | Confident | 58 Ų | 58 | 71.8 Ų | 71.8 | 41% | 0.406 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.6 | -38.5 | 177.9 | -60.2 | 0 | 0 | 0 | 0 | 112.4 | S109 Y111 A116 N117 | S109-S113 PolarHBondContact O-N 3.47Å; S109-S113 VanDerWaalsContact O-N 3.11Å; S109-S113 PolarHBondContact O-OG 2.95Å; Y111-S113 PolarHBondContact O-N 3.11Å; S113-A116 PolarHBondContact O-N 3.16Å; S113-N117 PolarHBondContact O-N 2.66Å |
| 114 | H | 82.5 | Confident | 83.3 | Confident | 42 Ų | 42 | 72.9 Ų | 72.9 | 19% | 0.194 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.7 | -49.9 | 176.2 | 171.6 | 50.9 | 0 | 0 | 0 | 112 | S110 Y111 I112 A116 N117 V118 F152 | S110-H114 WeakPolarHBondContact O-CB 3.47Å; S110-H114 PolarHBondContact O-N 3.32Å; Y111-H114 WeakPolarHBondContact O-CB 3.49Å; Y111-H114 PolarHBondContact O-N 3.18Å; I112-H114 VanDerWaalsContact C-N 3.28Å; I112-H114 PolarHBondContact O-N 3.27Å; H114-A116 VanDerWaalsContact C-N 3.26Å; H114-A116 PolarHBondContact O-N 3.38Å; H114-N117 PolarHBondContact O-N 3.29Å; H114-N117 VanDerWaalsContact O-N 3.12Å; H114-V118 WeakPolarHBondContact CE1-CG2 3.5Å; H114-V118 WeakPolarHBondContact O-CG2 3.49Å; H114-V118 PolarHBondContact O-N 2.88Å; H114-F152 HydrophobicContact CB-CD1 4.49Å; H114-F152 HydrophobicContact CB-CE1 4.25Å; H114-F152 AromaticContact CD2-CD2 3.71Å; H114-F152 AromaticContact CD2-CE2 3.9Å; H114-F152 AromaticContact CD2-CG 3.96Å; H114-F152 AromaticContact CE1-CD2 3.48Å; H114-F152 VanDerWaalsContact CE1-CD2 3.48Å; H114-F152 WeakPolarHBondContact CE1-CD2 3.39Å; H114-F152 AromaticContact CE1-CE2 2.96Å; H114-F152 WeakPolarHBondContact CE1-CE2 3.36Å; H114-F152 AromaticContact CE1-CZ 3.44Å; H114-F152 VanDerWaalsContact CE1-CZ 3.44Å; H114-F152 WeakPolarHBondContact CE1-CZ 3.35Å; H114-F152 AromaticContact CG-CE1 3.87Å; H114-F152 AromaticContact CG-CE2 3.83Å; H114-F152 AromaticContact CG-CZ 3.73Å; H114-F152 AromaticContact ND1-CD2 3.89Å; H114-F152 AromaticContact ND1-CE1 3.76Å; H114-F152 AromaticContact ND1-CE2 3.26Å; H114-F152 VanDerWaalsContact ND1-CE2 3.26Å; H114-F152 WeakPolarHBondContact ND1-CE2 3.4Å; H114-F152 AromaticContact ND1-CZ 3.17Å; H114-F152 WeakPolarHBondContact ND1-CZ 3.33Å; H114-F152 AromaticContact NE2-CD2 3.33Å; H114-F152 VanDerWaalsContact NE2-CD2 3.33Å; H114-F152 WeakPolarHBondContact NE2-CD2 3.36Å; H114-F152 AromaticContact NE2-CE2 3.38Å; H114-F152 WeakPolarHBondContact NE2-CE2 2.99Å |
| 115 | L | 87 | Confident | 81.3 | Confident | 73 Ų | 73 | 73.9 Ų | 73.9 | 38% | 0.382 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.2 | -40 | 177.5 | -67.6 | 177.6 | 0 | 0 | 0 | 111.2 | Y111 I112 N117 V118 L119 | Y111-L115 HydrophobicContact CD1-CD1 4.26Å; Y111-L115 HydrophobicContact CD2-CD1 4.39Å; Y111-L115 HydrophobicContact CD2-CG 4.11Å; Y111-L115 HydrophobicContact CE1-CD1 3.85Å; Y111-L115 HydrophobicContact CE2-CD1 3.97Å; Y111-L115 HydrophobicContact CE2-CD2 3.76Å; Y111-L115 HydrophobicContact CE2-CG 3.76Å; Y111-L115 WeakPolarHBondContact O-CG 3.4Å; Y111-L115 PolarHBondContact O-N 3.38Å; I112-L115 PolarHBondContact O-N 2.83Å; L115-N117 PolarHBondContact O-N 3.35Å; L115-V118 PolarHBondContact O-N 3.46Å; L115-L119 VanDerWaalsContact O-CG 3.27Å; L115-L119 WeakPolarHBondContact O-CG 3.37Å; L115-L119 PolarHBondContact O-N 3.21Å |
| 116 | A | 86.5 | Confident | 79.4 | Confident | 40 Ų | 40 | 72.1 Ų | 72.1 | 33% | 0.331 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | I112 S113 H114 L119 L120 | I112-A116 WeakPolarHBondContact O-CB 3.34Å; I112-A116 PolarHBondContact O-N 3.03Å; S113-A116 PolarHBondContact O-N 3.16Å; H114-A116 VanDerWaalsContact C-N 3.26Å; H114-A116 PolarHBondContact O-N 3.38Å; A116-L119 PolarHBondContact O-N 3.11Å; A116-L120 WeakPolarHBondContact O-CB 3.39Å; A116-L120 VanDerWaalsContact O-CG 3.27Å; A116-L120 WeakPolarHBondContact O-CG 3.36Å; A116-L120 PolarHBondContact O-N 3.11Å |
| 117 | N | 81.3 | Confident | 77.6 | Confident | 55 Ų | 55 | 73.9 Ų | 73.9 | 29% | 0.294 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 177.6 | -70.8 | -9 | 0 | 0 | 0 | 112.4 | S113 H114 L115 L119 L120 I121 | S113-N117 PolarHBondContact O-N 2.66Å; H114-N117 PolarHBondContact O-N 3.29Å; H114-N117 VanDerWaalsContact O-N 3.12Å; L115-N117 PolarHBondContact O-N 3.35Å; N117-L119 VanDerWaalsContact C-N 3.28Å; N117-L119 PolarHBondContact O-N 3.12Å; N117-L120 PolarHBondContact O-N 3.44Å; N117-I121 PolarHBondContact O-N 2.92Å |
| 118 | V | 82.9 | Confident | 76 | Confident | 53 Ų | 53 | 75.6 Ų | 75.6 | 32% | 0.321 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.6 | -41.2 | 176.2 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | H114 L115 G122 | H114-V118 WeakPolarHBondContact CE1-CG2 3.5Å; H114-V118 WeakPolarHBondContact O-CG2 3.49Å; H114-V118 PolarHBondContact O-N 2.88Å; L115-V118 PolarHBondContact O-N 3.46Å; V118-G122 VanDerWaalsContact O-CA 3.25Å; V118-G122 WeakPolarHBondContact O-CA 3.48Å; V118-G122 PolarHBondContact O-N 3.23Å; V118-G122 VanDerWaalsContact O-N 3.17Å |
| 119 | L | 84.6 | Confident | 74 | Confident | 153 Ų | 153 | 78.3 Ų | 78.3 | 80% | 0.801 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -71.6 | -33.5 | 178.7 | -67 | 173.2 | 0 | 0 | 0 | 113.1 | L115 A116 N117 | L115-L119 VanDerWaalsContact O-CG 3.27Å; L115-L119 WeakPolarHBondContact O-CG 3.37Å; L115-L119 PolarHBondContact O-N 3.21Å; A116-L119 PolarHBondContact O-N 3.11Å; N117-L119 VanDerWaalsContact C-N 3.28Å; N117-L119 PolarHBondContact O-N 3.12Å |
| 120 | L | 80.3 | Confident | 72.2 | Confident | 144 Ų | 144 | 77.4 Ų | 77.4 | 75% | 0.754 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -86 | -39.4 | -175.3 | -71.8 | 171 | 0 | 0 | 0 | 114.1 | A116 N117 | A116-L120 WeakPolarHBondContact O-CB 3.39Å; A116-L120 VanDerWaalsContact O-CG 3.27Å; A116-L120 WeakPolarHBondContact O-CG 3.36Å; A116-L120 PolarHBondContact O-N 3.11Å; N117-L120 PolarHBondContact O-N 3.44Å |
| 121 | I | 75.4 | Confident | 70.7 | Confident | 102 Ų | 102 | 77.7 Ų | 77.7 | 52% | 0.523 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -106.2 | -10.3 | -171.5 | -53.4 | 166.2 | 0 | 0 | 0 | 110.9 | N117 G125 | N117-I121 PolarHBondContact O-N 2.92Å; I121-G125 VanDerWaalsContact CG2-CA 3.46Å |
| 122 | G | 63.8 | Low | 68.9 | Low | 36 Ų | 36 | 75.8 Ų | 75.8 | 37% | 0.371 | 45% | 0.454 | S | S | . | . | trans | 70.2 | -178 | -163.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V118 A124 G125 | V118-G122 VanDerWaalsContact O-CA 3.25Å; V118-G122 WeakPolarHBondContact O-CA 3.48Å; V118-G122 PolarHBondContact O-N 3.23Å; V118-G122 VanDerWaalsContact O-N 3.17Å; G122-A124 PolarHBondContact O-N 3.06Å; G122-G125 PolarHBondContact O-N 2.78Å | ||
| 123 | D | 58.9 | Low | 67 | Low | 143 Ų | 143 | 73.4 Ų | 73.4 | 77% | 0.765 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 1.9 | -177.5 | -162.4 | 49 | 0 | 0 | 0 | 114.6 | ||
| 124 | A | 54.6 | Low | 65.2 | Low | 89 Ų | 89 | 73.2 Ų | 73.2 | 74% | 0.736 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -10.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | G122 A126 | G122-A124 PolarHBondContact O-N 3.06Å; A124-A126 PolarHBondContact O-N 3.32Å |
| 125 | G | 51.2 | Low | 63.6 | Low | 22 Ų | 22 | 75.1 Ų | 75.1 | 23% | 0.227 | 47% | 0.474 | C | S | . | . | trans | -91.6 | 64.5 | -174 | 0 | 0 | 0 | 0 | 0 | 114.9 | I121 G122 E127 | I121-G125 VanDerWaalsContact CG2-CA 3.46Å; G122-G125 PolarHBondContact O-N 2.78Å; G125-E127 VanDerWaalsContact C-N 3.32Å; G125-E127 PolarHBondContact O-N 3.4Å | ||
| 126 | A | 55.1 | Low | 61.7 | Low | 48 Ų | 48 | 78 Ų | 78 | 40% | 0.397 | 49% | 0.485 | S | S | . | . | trans | -88.7 | 41.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A124 | A124-A126 PolarHBondContact O-N 3.32Š| ||
| 127 | E | 53 | Low | 59.6 | Low | 178 Ų | 178 | 80.3 Ų | 80.3 | 83% | 0.832 | 50% | 0.504 | S | S | * | . | trans | -123.8 | 108.7 | -175.6 | -65.2 | -62.6 | 145 | 0 | 0 | 110.9 | G125 | G125-E127 VanDerWaalsContact C-N 3.32Å; G125-E127 PolarHBondContact O-N 3.4Å | ||
| 128 | G | 56.4 | Low | 57.6 | Low | 59 Ų | 59 | 86.1 Ų | 86.1 | 61% | 0.608 | 53% | 0.53 | S | S | * | . | trans | 117.1 | 76.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | P130 | G128-P130 WeakPolarHBondContact O-CD 3.21Š| ||
| 129 | Q | 51.9 | Low | 55.3 | Low | 71 Ų | 71 | 86.8 Ų | 86.8 | 33% | 0.332 | 55% | 0.547 | S | S | . | . | trans | -75.7 | 107.5 | -178.1 | -169.9 | 164 | -4.5 | 0 | 0 | 112 | L132 | Q129-L132 HydrophobicContact CG-CB 4.48Å; Q129-L132 HydrophobicContact CG-CD1 4.2Å; Q129-L132 HydrophobicContact CG-CG 4.04Å | ||
| 130 | P | 54.1 | Low | 53.4 | Low | 60 Ų | 60 | 89.5 Ų | 89.5 | 39% | 0.39 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -80.9 | -23.5 | -177.7 | -3.6 | 21.4 | 0 | 0 | 0 | 112.5 | S110 G128 L132 | S110-P130 WeakPolarHBondContact OG-CB 3.42Å; S110-P130 WeakPolarHBondContact OG-CG 3.22Å; G128-P130 WeakPolarHBondContact O-CD 3.21Å; P130-L132 PolarHBondContact O-N 2.66Å |
| 131 | C | 54.3 | Low | 51.4 | Low | 16 Ų | 16 | 86 Ų | 86 | 11% | 0.108 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -74.9 | -18.4 | -171.7 | 61.1 | 0 | 0 | 0 | 0 | 115.2 | C153 | C131-C153 WeakPolarHBondContact CB-SG 3.45Å; C131-C153 WeakPolarHBondContact SG-CB 3.47Å; C131-C153 CovalentContact SG-SG 2.04Å; C131-C153 PolarHBondContact SG-SG 3.4Å |
| 132 | L | 54.5 | Low | 50 | Low | 36 Ų | 36 | 86.7 Ų | 86.7 | 19% | 0.188 | 58% | 0.576 | C | S | . | * | H | α-helix | trans | -96.7 | -25.9 | -178.5 | -66.6 | -175.7 | 0 | 0 | 0 | 114.1 | Q129 P130 A134 V135 | Q129-L132 HydrophobicContact CG-CB 4.48Å; Q129-L132 HydrophobicContact CG-CD1 4.2Å; Q129-L132 HydrophobicContact CG-CG 4.04Å; P130-L132 PolarHBondContact O-N 2.66Å; L132-A134 PolarHBondContact O-N 3.06Å; L132-A134 VanDerWaalsContact O-N 3.16Å; L132-V135 PolarHBondContact O-N 3.35Å |
| 133 | G | 51.3 | Low | 48.7 | Very low | 64 Ų | 64 | 87.8 Ų | 87.8 | 66% | 0.66 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.7 | -27.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 134 | A | 50.4 | Low | 48.1 | Very low | 53 Ų | 53 | 91.1 Ų | 91.1 | 44% | 0.438 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.1 | -5.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L132 | L132-A134 PolarHBondContact O-N 3.06Å; L132-A134 VanDerWaalsContact O-N 3.16Å |
| 135 | V | 47.3 | Very low | 47.5 | Very low | 83 Ų | 83 | 94.5 Ų | 94.5 | 50% | 0.503 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.6 | -17.7 | -175.1 | -167.8 | 0 | 0 | 0 | 0 | 112.6 | L132 A137 | L132-V135 PolarHBondContact O-N 3.35Å; V135-A137 VanDerWaalsContact C-N 3.3Å; V135-A137 PolarHBondContact O-N 3.01Å |
| 136 | H | 47.3 | Very low | 47.4 | Very low | 132 Ų | 132 | 98.7 Ų | 98.7 | 61% | 0.611 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | 1.7 | -175.6 | -66.5 | -176.6 | 0 | 0 | 0 | 115 | Q138 | H136-Q138 VanDerWaalsContact C-N 3.33Å; H136-Q138 PolarHBondContact O-N 3.02Å |
| 137 | A | 44.1 | Very low | 47.4 | Very low | 89 Ų | 89 | 104.6 Ų | 104.6 | 74% | 0.736 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 7.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | V135 | V135-A137 VanDerWaalsContact C-N 3.3Å; V135-A137 PolarHBondContact O-N 3.01Å |
| 138 | Q | 37.7 | Very low | 47.6 | Very low | 178 Ų | 178 | 99.9 Ų | 99.9 | 83% | 0.832 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -138.9 | 106 | 179.8 | -67.5 | -74.9 | -18.9 | 0 | 0 | 111 | H136 | H136-Q138 VanDerWaalsContact C-N 3.33Å; H136-Q138 PolarHBondContact O-N 3.02Å |
| 139 | G | 35.5 | Very low | 48.1 | Very low | 66 Ų | 66 | 98.2 Ų | 98.2 | 68% | 0.68 | 59% | 0.591 | S | S | * | * | trans | 95.3 | 96 | 149.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | G141 | G139-G141 PolarHBondContact O-N 3.31Š| ||
| 140 | E | 44.3 | Very low | 49 | Very low | 210 Ų | 210 | 95.3 Ų | 95.3 | 98% | 0.981 | 58% | 0.578 | S | S | * | * | trans | -61.9 | 116.8 | 145.6 | -64.2 | -158.9 | 128.9 | 0 | 0 | 108.4 | ||||
| 141 | G | 37.5 | Very low | 49.7 | Very low | 70 Ų | 70 | 94.3 Ų | 94.3 | 72% | 0.722 | 57% | 0.571 | S | S | * | * | trans | -174.7 | 102.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | G139 G143 | G139-G141 PolarHBondContact O-N 3.31Å; G141-G143 PolarHBondContact O-N 2.91Å; G141-G143 VanDerWaalsContact O-N 3.11Å | ||
| 142 | A | 47.1 | Very low | 50.2 | Low | 118 Ų | 118 | 95.7 Ų | 95.7 | 98% | 0.975 | 58% | 0.575 | S | S | * | * | trans | -55.8 | 110.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 143 | G | 37.2 | Very low | 50.6 | Low | 59 Ų | 59 | 94 Ų | 94 | 61% | 0.608 | 57% | 0.567 | S | S | * | * | trans | -166.5 | 108.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | G141 Q145 | G141-G143 PolarHBondContact O-N 2.91Å; G141-G143 VanDerWaalsContact O-N 3.11Å; G143-Q145 PolarHBondContact O-N 3.34Å | ||
| 144 | K | 44.6 | Very low | 51.3 | Low | 213 Ų | 213 | 92.6 Ų | 92.6 | 93% | 0.926 | 54% | 0.544 | S | S | * | . | trans | -70 | 76.7 | -179.3 | -61.4 | 172 | -176.9 | -173.2 | 0 | 109.8 | ||||
| 145 | Q | 41.8 | Very low | 51.8 | Low | 160 Ų | 160 | 93 Ų | 93 | 75% | 0.748 | 54% | 0.544 | S | S | * | . | trans | -109.7 | 125.9 | 165.3 | -63.9 | -63.4 | -5.5 | 0 | 0 | 108.3 | G143 R147 | G143-Q145 PolarHBondContact O-N 3.34Å; Q145-R147 PolarHBondContact O-N 3.48Å; Q145-R147 VanDerWaalsContact O-N 3.12Å | ||
| 146 | P | 49.6 | Very low | 52.3 | Low | 110 Ų | 110 | 91 Ų | 91 | 71% | 0.714 | 53% | 0.53 | S | S | * | . | trans | -61.8 | 120.1 | 178.8 | 25.3 | -31.3 | 0 | 0 | 0 | 108.3 | T148 | P146-T148 PolarHBondContact O-N 3.37Å; P146-T148 VanDerWaalsContact O-N 3.08Å | ||
| 147 | R | 56.3 | Low | 52.9 | Low | 172 Ų | 172 | 89.7 Ų | 89.7 | 65% | 0.649 | 52% | 0.524 | S | S | * | . | trans | -65.7 | 112.6 | 177.9 | -60.8 | -172.8 | -179.4 | -102.3 | 0.9 | 107.3 | Q145 I149 | Q145-R147 PolarHBondContact O-N 3.48Å; Q145-R147 VanDerWaalsContact O-N 3.12Å; R147-I149 HydrophobicContact CB-CD1 3.58Å; R147-I149 HydrophobicContact CB-CG1 3.68Å; R147-I149 PolarHBondContact O-N 2.89Å; R147-I149 VanDerWaalsContact O-N 3.13Å | ||
| 148 | T | 56.7 | Low | 53.5 | Low | 78 Ų | 78 | 91.9 Ų | 91.9 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | trans | -73.8 | 101.9 | 171.1 | 53.9 | 0 | 0 | 0 | 0 | 106.9 | R97 P146 | R97-T148 PolarHBondContact NH1-O 3.11Å; P146-T148 PolarHBondContact O-N 3.37Å; P146-T148 VanDerWaalsContact O-N 3.08Å | ||
| 149 | I | 66.3 | Low | 54.3 | Low | 24 Ų | 24 | 89 Ų | 89 | 12% | 0.123 | 50% | 0.498 | C | S | . | . | trans | -118.3 | 157.6 | -176 | -51.1 | 165.3 | 0 | 0 | 0 | 107.9 | R147 C153 L154 | R147-I149 HydrophobicContact CB-CD1 3.58Å; R147-I149 HydrophobicContact CB-CG1 3.68Å; R147-I149 PolarHBondContact O-N 2.89Å; R147-I149 VanDerWaalsContact O-N 3.13Å; I149-C153 HydrophobicContact CB-CB 4.46Å; I149-C153 HydrophobicContact CG2-CB 3.37Å; I149-L154 HydrophobicContact CB-CD1 3.7Å; I149-L154 VanDerWaalsContact O-CD1 3.23Å; I149-L154 WeakPolarHBondContact O-CD1 3.4Å | ||
| 150 | C | 71.8 | Confident | 55.1 | Low | 10 Ų | 10 | 88 Ų | 88 | 7% | 0.068 | 49% | 0.489 | C | S | . | . | B | Isolated β-bridge | trans | -48.2 | 138.9 | 168.4 | 169.5 | 0 | 0 | 0 | 0 | 110.7 | P91 L107 F152 C153 L154 | P91-C150 WeakPolarHBondContact O-CA 3.47Å; P91-C150 PolarHBondContact O-SG 3.25Å; L107-C150 HydrophobicContact CD2-CB 3.93Å; C150-F152 PolarHBondContact O-N 3.46Å; C150-F152 VanDerWaalsContact O-N 3.1Å; C150-C153 PolarHBondContact O-N 3.49Å; C150-L154 WeakPolarHBondContact O-CD1 3.5Å; C150-L154 PolarHBondContact O-N 2.96Å |
| 151 | T | 67.6 | Low | 55.5 | Low | 40 Ų | 40 | 82.3 Ų | 82.3 | 25% | 0.245 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -53.4 | -34.6 | -176.7 | 41.6 | 0 | 0 | 0 | 0 | 112.4 | P91 E93 C153 L154 S155 | P91-T151 WeakPolarHBondContact CB-OG1 3.41Å; P91-T151 PolarHBondContact O-N 3.34Å; E93-T151 HydrophobicContact CB-CG2 3.78Å; T151-C153 PolarHBondContact O-N 3.4Å; T151-L154 WeakPolarHBondContact O-CB 3.41Å; T151-L154 PolarHBondContact O-N 3.29Å; T151-S155 PolarHBondContact O-N 2.98Å; T151-S155 PolarHBondContact O-OG 3.4Å |
| 152 | F | 65.6 | Low | 55.9 | Low | 44 Ų | 44 | 86.1 Ų | 86.1 | 19% | 0.193 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 176.4 | 174.2 | -112.3 | 0 | 0 | 0 | 112.9 | H114 C150 L154 S155 N156 | H114-F152 HydrophobicContact CB-CD1 4.49Å; H114-F152 HydrophobicContact CB-CE1 4.25Å; H114-F152 AromaticContact CD2-CD2 3.71Å; H114-F152 AromaticContact CD2-CE2 3.9Å; H114-F152 AromaticContact CD2-CG 3.96Å; H114-F152 AromaticContact CE1-CD2 3.48Å; H114-F152 VanDerWaalsContact CE1-CD2 3.48Å; H114-F152 WeakPolarHBondContact CE1-CD2 3.39Å; H114-F152 AromaticContact CE1-CE2 2.96Å; H114-F152 WeakPolarHBondContact CE1-CE2 3.36Å; H114-F152 AromaticContact CE1-CZ 3.44Å; H114-F152 VanDerWaalsContact CE1-CZ 3.44Å; H114-F152 WeakPolarHBondContact CE1-CZ 3.35Å; H114-F152 AromaticContact CG-CE1 3.87Å; H114-F152 AromaticContact CG-CE2 3.83Å; H114-F152 AromaticContact CG-CZ 3.73Å; H114-F152 AromaticContact ND1-CD2 3.89Å; H114-F152 AromaticContact ND1-CE1 3.76Å; H114-F152 AromaticContact ND1-CE2 3.26Å; H114-F152 VanDerWaalsContact ND1-CE2 3.26Å; H114-F152 WeakPolarHBondContact ND1-CE2 3.4Å; H114-F152 AromaticContact ND1-CZ 3.17Å; H114-F152 WeakPolarHBondContact ND1-CZ 3.33Å; H114-F152 AromaticContact NE2-CD2 3.33Å; H114-F152 VanDerWaalsContact NE2-CD2 3.33Å; H114-F152 WeakPolarHBondContact NE2-CD2 3.36Å; H114-F152 AromaticContact NE2-CE2 3.38Å; H114-F152 WeakPolarHBondContact NE2-CE2 2.99Å; C150-F152 PolarHBondContact O-N 3.46Å; C150-F152 VanDerWaalsContact O-N 3.1Å; F152-L154 VanDerWaalsContact C-N 3.3Å; F152-L154 PolarHBondContact O-N 2.91Å; F152-S155 WeakPolarHBondContact O-CB 3.49Å; F152-S155 PolarHBondContact O-N 2.9Å; F152-N156 PolarHBondContact O-N 2.92Å; F152-N156 VanDerWaalsContact O-N 3.17Å |
| 153 | C | 63.3 | Low | 56 | Low | 2 Ų | 2 | 85.2 Ų | 85.2 | 1% | 0.014 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -71.2 | -28.1 | 179.7 | -44.2 | 0 | 0 | 0 | 0 | 111.5 | C131 I149 C150 T151 Q157 | C131-C153 WeakPolarHBondContact CB-SG 3.45Å; C131-C153 WeakPolarHBondContact SG-CB 3.47Å; C131-C153 CovalentContact SG-SG 2.04Å; C131-C153 PolarHBondContact SG-SG 3.4Å; I149-C153 HydrophobicContact CB-CB 4.46Å; I149-C153 HydrophobicContact CG2-CB 3.37Å; C150-C153 PolarHBondContact O-N 3.49Å; T151-C153 PolarHBondContact O-N 3.4Å; C153-Q157 WeakPolarHBondContact O-CB 3.43Å; C153-Q157 PolarHBondContact O-N 3.42Å; C153-Q157 VanDerWaalsContact O-N 3.1Å |
| 154 | L | 65.1 | Low | 56.3 | Low | 34 Ų | 34 | 84 Ų | 84 | 18% | 0.178 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 170.1 | -88.4 | 79.3 | 0 | 0 | 0 | 111.4 | E93 I149 C150 T151 F152 Q157 R158 | E93-L154 HydrophobicContact CB-CD2 4.31Å; E93-L154 HydrophobicContact CG-CD2 4.45Å; I149-L154 HydrophobicContact CB-CD1 3.7Å; I149-L154 VanDerWaalsContact O-CD1 3.23Å; I149-L154 WeakPolarHBondContact O-CD1 3.4Å; C150-L154 WeakPolarHBondContact O-CD1 3.5Å; C150-L154 PolarHBondContact O-N 2.96Å; T151-L154 WeakPolarHBondContact O-CB 3.41Å; T151-L154 PolarHBondContact O-N 3.29Å; F152-L154 VanDerWaalsContact C-N 3.3Å; F152-L154 PolarHBondContact O-N 2.91Å; L154-Q157 PolarHBondContact O-N 2.9Å; L154-R158 WeakPolarHBondContact O-CB 3.24Å; L154-R158 WeakPolarHBondContact O-CG 3.35Å; L154-R158 PolarHBondContact O-N 3.37Å; L154-R158 PolarHBondContact O-NE 3.48Å |
| 155 | S | 61.3 | Low | 56.3 | Low | 62 Ų | 62 | 80.3 Ų | 80.3 | 43% | 0.434 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 179 | -62.9 | 0 | 0 | 0 | 0 | 111.9 | T151 F152 R158 K159 | T151-S155 PolarHBondContact O-N 2.98Å; T151-S155 PolarHBondContact O-OG 3.4Å; F152-S155 WeakPolarHBondContact O-CB 3.49Å; F152-S155 PolarHBondContact O-N 2.9Å; S155-R158 PolarHBondContact O-N 2.9Å; S155-K159 PolarHBondContact O-N 2.9Å |
| 156 | N | 58.4 | Low | 56.5 | Low | 40 Ų | 40 | 78.5 Ų | 78.5 | 21% | 0.214 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.1 | -38.3 | 175.8 | -87.6 | 35 | 0 | 0 | 0 | 113.1 | F152 R158 K159 G160 | F152-N156 PolarHBondContact O-N 2.92Å; F152-N156 VanDerWaalsContact O-N 3.17Å; N156-R158 VanDerWaalsContact C-N 3.35Å; N156-R158 PolarHBondContact O-N 3.45Å; N156-K159 PolarHBondContact O-N 3.46Å; N156-G160 PolarHBondContact O-N 3.39Å |
| 157 | Q | 58.8 | Low | 56.2 | Low | 105 Ų | 105 | 77.8 Ų | 77.8 | 49% | 0.491 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.4 | -38.2 | 177 | -172.2 | 171 | 92.1 | 0 | 0 | 112.2 | C153 L154 K159 I161 | C153-Q157 WeakPolarHBondContact O-CB 3.43Å; C153-Q157 PolarHBondContact O-N 3.42Å; C153-Q157 VanDerWaalsContact O-N 3.1Å; L154-Q157 PolarHBondContact O-N 2.9Å; Q157-K159 VanDerWaalsContact C-N 3.34Å; Q157-I161 HydrophobicContact CG-CD1 4.36Å; Q157-I161 WeakPolarHBondContact O-CG1 3.31Å; Q157-I161 PolarHBondContact O-N 3.41Å |
| 158 | R | 57.8 | Low | 55.7 | Low | 135 Ų | 135 | 76.6 Ų | 76.6 | 51% | 0.509 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68.5 | -32.5 | 174.4 | -73.4 | -176.6 | -75.8 | -145.6 | 1 | 112.5 | L154 S155 N156 K162 | L154-R158 WeakPolarHBondContact O-CB 3.24Å; L154-R158 WeakPolarHBondContact O-CG 3.35Å; L154-R158 PolarHBondContact O-N 3.37Å; L154-R158 PolarHBondContact O-NE 3.48Å; S155-R158 PolarHBondContact O-N 2.9Å; N156-R158 VanDerWaalsContact C-N 3.35Å; N156-R158 PolarHBondContact O-N 3.45Å; R158-K162 PolarHBondContact O-N 3Å |
| 159 | K | 54.3 | Low | 55 | Low | 116 Ų | 116 | 81.6 Ų | 81.6 | 50% | 0.504 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.4 | -49.8 | 176.3 | -153.4 | 172.1 | -176.3 | -179.5 | 0 | 110.9 | S155 N156 Q157 I161 K162 D163 | S155-K159 PolarHBondContact O-N 2.9Å; N156-K159 PolarHBondContact O-N 3.46Å; Q157-K159 VanDerWaalsContact C-N 3.34Å; K159-I161 VanDerWaalsContact C-N 3.29Å; K159-I161 PolarHBondContact O-N 3.2Å; K159-K162 WeakPolarHBondContact O-CB 3.47Å; K159-K162 PolarHBondContact O-N 3.02Å; K159-D163 PolarHBondContact O-N 3.41Å; K159-D163 VanDerWaalsContact O-N 3.16Å |
| 160 | G | 52.2 | Low | 54 | Low | 47 Ų | 47 | 88.4 Ų | 88.4 | 49% | 0.485 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.5 | -28.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | N156 G164 | N156-G160 PolarHBondContact O-N 3.39Å; G160-G164 PolarHBondContact O-N 3.41Å; G160-G164 VanDerWaalsContact O-N 3.15Å |
| 161 | I | 52.5 | Low | 52.8 | Low | 89 Ų | 89 | 98.2 Ų | 98.2 | 46% | 0.456 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -75.1 | -28.6 | 173.1 | -71 | 168.5 | 0 | 0 | 0 | 112.2 | Q157 K159 K165 | Q157-I161 HydrophobicContact CG-CD1 4.36Å; Q157-I161 WeakPolarHBondContact O-CG1 3.31Å; Q157-I161 PolarHBondContact O-N 3.41Å; K159-I161 VanDerWaalsContact C-N 3.29Å; K159-I161 PolarHBondContact O-N 3.2Å; I161-K165 VanDerWaalsContact CG2-CE 3.5Å; I161-K165 WeakPolarHBondContact O-CD 3.42Å; I161-K165 VanDerWaalsContact O-CG 3.28Å; I161-K165 WeakPolarHBondContact O-CG 3.12Å |
| 162 | K | 45.7 | Very low | 51.7 | Low | 150 Ų | 150 | 100.2 Ų | 100.2 | 65% | 0.652 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -71.2 | -47.3 | 174.7 | -93.5 | -180 | 170.3 | -176.4 | 0 | 110.6 | R158 K159 G164 K165 | R158-K162 PolarHBondContact O-N 3Å; K159-K162 WeakPolarHBondContact O-CB 3.47Å; K159-K162 PolarHBondContact O-N 3.02Å; K162-G164 VanDerWaalsContact C-N 3.28Å; K162-G164 PolarHBondContact O-N 3.4Å; K162-K165 PolarHBondContact O-N 3.21Å |
| 163 | D | 48.5 | Very low | 50.7 | Low | 99 Ų | 99 | 105.9 Ų | 105.9 | 53% | 0.529 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69 | -26.6 | 179.9 | -55.9 | -43 | 0 | 0 | 0 | 112.4 | K159 C167 | K159-D163 PolarHBondContact O-N 3.41Å; K159-D163 VanDerWaalsContact O-N 3.16Å; D163-C167 PolarHBondContact O-N 3.49Å |
| 164 | G | 44.2 | Very low | 49.8 | Very low | 34 Ų | 34 | 108.7 Ų | 108.7 | 35% | 0.351 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -72.6 | -22.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | G160 K162 | G160-G164 PolarHBondContact O-N 3.41Å; G160-G164 VanDerWaalsContact O-N 3.15Å; K162-G164 VanDerWaalsContact C-N 3.28Å; K162-G164 PolarHBondContact O-N 3.4Å |
| 165 | K | 45.3 | Very low | 48.8 | Very low | 136 Ų | 136 | 112.8 Ų | 112.8 | 59% | 0.591 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -78.5 | -29.9 | 177.8 | -70.9 | 166.9 | -173.5 | -176.8 | 0 | 112 | I161 K162 | I161-K165 VanDerWaalsContact CG2-CE 3.5Å; I161-K165 WeakPolarHBondContact O-CD 3.42Å; I161-K165 VanDerWaalsContact O-CG 3.28Å; I161-K165 WeakPolarHBondContact O-CG 3.12Å; K162-K165 PolarHBondContact O-N 3.21Å |
| 166 | D | 45.1 | Very low | 48 | Very low | 121 Ų | 121 | 117.9 Ų | 117.9 | 65% | 0.647 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -77.8 | -27.3 | 175.1 | -67.7 | -40.2 | 0 | 0 | 0 | 112.1 | K169 | D166-K169 PolarHBondContact O-N 3.21Å |
| 167 | C | 42.5 | Very low | 47.6 | Very low | 95 Ų | 95 | 127.3 Ų | 127.3 | 64% | 0.642 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -72.5 | -25.5 | 173.1 | -73.1 | 0 | 0 | 0 | 0 | 114.5 | D163 K169 M170 | D163-C167 PolarHBondContact O-N 3.49Å; C167-K169 PolarHBondContact O-N 3.05Å; C167-M170 PolarHBondContact O-N 2.88Å |
| 168 | L | 46.8 | Very low | 46.9 | Very low | 148 Ų | 148 | 129 Ų | 129 | 78% | 0.775 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -11.6 | 176.3 | -99.8 | 151.2 | 0 | 0 | 0 | 113.3 | ||
| 169 | K | 42.1 | Very low | 46.1 | Very low | 183 Ų | 183 | 133.9 Ų | 133.9 | 80% | 0.796 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -5.2 | 177.1 | -156.5 | 151 | -177.7 | 170.2 | 0 | 114 | D166 C167 | D166-K169 PolarHBondContact O-N 3.21Å; C167-K169 PolarHBondContact O-N 3.05Å |
| 170 | M | 45.5 | Very low | 46.1 | Very low | 166 Ų | 166 | 143.6 Ų | 143.6 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -102.6 | 6.4 | 179.3 | -64.1 | -62 | -82 | 0 | 0 | 114.3 | C167 | C167-M170 PolarHBondContact O-N 2.88Š|
| 171 | R | 45.6 | Very low | 45.8 | Very low | 217 Ų | 217 | 148.4 Ų | 148.4 | 82% | 0.819 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -106.6 | 92.2 | 161.7 | -69.3 | -172.1 | -169.9 | 177.4 | 4 | 108.4 | L173 | R171-L173 VanDerWaalsContact C-N 3.28Å; R171-L173 PolarHBondContact O-N 3.48Å |
| 172 | G | 45.5 | Very low | 45.4 | Very low | 82 Ų | 82 | 151.5 Ų | 151.5 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | trans | -59.5 | 85.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 173 | L | 44.4 | Very low | 45.4 | Very low | 163 Ų | 163 | 151.6 Ų | 151.6 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | trans | -95.4 | 101.3 | 159.7 | -67.3 | 176.1 | 0 | 0 | 0 | 106.7 | R171 | R171-L173 VanDerWaalsContact C-N 3.28Å; R171-L173 PolarHBondContact O-N 3.48Å | ||
| 174 | G | 44 | Very low | 45.2 | Very low | 61 Ų | 61 | 154.7 Ų | 154.7 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | trans | -58.2 | 147.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L176 | G174-L176 PolarHBondContact O-N 3.01Å; G174-L176 VanDerWaalsContact O-N 3.14Å | ||
| 175 | P | 45.2 | Very low | 45.3 | Very low | 120 Ų | 120 | 162.3 Ų | 162.3 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | trans | -69.8 | 113.9 | 177.4 | 27.7 | -31 | 0 | 0 | 0 | 109.1 | R177 | P175-R177 VanDerWaalsContact C-N 3.35Å; P175-R177 PolarHBondContact O-N 3.15Å | ||
| 176 | L | 44.3 | Very low | 45.3 | Very low | 169 Ų | 169 | 164 Ų | 164 | 89% | 0.885 | 82% | 0.822 | S | S | * | * | trans | -64.3 | 100.8 | 160.8 | -80.2 | 169.4 | 0 | 0 | 0 | 107.4 | G174 V178 | G174-L176 PolarHBondContact O-N 3.01Å; G174-L176 VanDerWaalsContact O-N 3.14Å; L176-V178 PolarHBondContact O-N 3.05Å; L176-V178 VanDerWaalsContact O-N 3.1Å | ||
| 177 | R | 49.2 | Very low | 45.3 | Very low | 238 Ų | 238 | 167.1 Ų | 167.1 | 90% | 0.898 | 84% | 0.835 | S | S | * | * | trans | -61.2 | 108.7 | 166.4 | -73.7 | -173.6 | -174.8 | -174.8 | 2.2 | 107.8 | P175 R179 | P175-R177 VanDerWaalsContact C-N 3.35Å; P175-R177 PolarHBondContact O-N 3.15Å; R177-R179 PolarHBondContact O-N 3.17Å | ||
| 178 | V | 43.4 | Very low | 45.5 | Very low | 140 Ų | 140 | 172.6 Ų | 172.6 | 85% | 0.848 | 85% | 0.85 | S | S | * | * | trans | -71.5 | 114.3 | 159.2 | 177.3 | 0 | 0 | 0 | 0 | 106.6 | L176 | L176-V178 PolarHBondContact O-N 3.05Å; L176-V178 VanDerWaalsContact O-N 3.1Å | ||
| 179 | R | 41.7 | Very low | 45.4 | Very low | 238 Ų | 238 | 174.7 Ų | 174.7 | 90% | 0.898 | 86% | 0.856 | S | S | * | * | trans | -86.9 | 139.6 | 167.9 | -140.9 | -176.9 | 174 | -133.5 | -1.3 | 107.5 | R177 | R177-R179 PolarHBondContact O-N 3.17Š| ||
| 180 | R | 54.1 | Low | 45.7 | Very low | 319 Ų | 319 | 173.9 Ų | 173.9 | 100% | 1.204 | 86% | 0.862 | S | S | * | * | trans | -38.3 | 0 | -174.2 | -74.1 | 178.5 | 174.7 | 167.9 | -3.1 | 115.3 |
Retrieved 180 of 180 residues in 182.3 ms
(Link to these results)