| 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 | 53.4 | Low | 61.6 | Low | 248 Ų | 248 | 149.1 Ų | 149.1 | 100% | 1.222 | 86% | 0.862 | S | S | * | * | 0 | 100.2 | 0 | -63.9 | 165.3 | 110.2 | 0 | 0 | 106.8 | |||||
| 2 | S | 52.8 | Low | 60.8 | Low | 122 Ų | 122 | 146.7 Ų | 146.7 | 85% | 0.853 | 85% | 0.851 | S | S | * | * | trans | -97 | 123.1 | -177.3 | -56.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 3 | L | 62.6 | Low | 60.9 | Low | 179 Ų | 179 | 146.2 Ų | 146.2 | 94% | 0.937 | 85% | 0.85 | S | S | * | * | trans | -118.3 | 97.6 | 170.4 | -84.3 | 164.3 | 0 | 0 | 0 | 108.2 | ||||
| 4 | V | 62.8 | Low | 59.9 | Low | 142 Ų | 142 | 146.6 Ų | 146.6 | 86% | 0.861 | 84% | 0.84 | S | S | * | * | trans | -89.1 | 115.7 | 164.7 | 160.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 5 | G | 61.1 | Low | 59.8 | Low | 73 Ų | 73 | 149.7 Ų | 149.7 | 75% | 0.753 | 84% | 0.844 | S | S | * | * | trans | -95.9 | 115.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 6 | G | 61.8 | Low | 58.8 | Low | 73 Ų | 73 | 151.3 Ų | 151.3 | 75% | 0.753 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 146.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 7 | F | 63.3 | Low | 58.3 | Low | 209 Ų | 209 | 146.9 Ų | 146.9 | 92% | 0.917 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 137.6 | 170.5 | -89 | -98 | 0 | 0 | 0 | 110.8 | ||
| 8 | P | 72 | Confident | 57.7 | Low | 120 Ų | 120 | 151.3 Ų | 151.3 | 78% | 0.779 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 133.8 | 170.9 | 30.4 | -30.6 | 0 | 0 | 0 | 111.5 | ||
| 9 | H | 61 | Low | 57.5 | Low | 190 Ų | 190 | 149.8 Ų | 149.8 | 88% | 0.88 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 132.6 | 177.3 | -147.8 | -95.1 | 0 | 0 | 0 | 109.8 | ||
| 10 | H | 62.5 | Low | 56.7 | Low | 170 Ų | 170 | 151.9 Ų | 151.9 | 79% | 0.787 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 141.4 | 172.9 | -86.4 | -88.2 | 0 | 0 | 0 | 111 | ||
| 11 | P | 64.4 | Low | 56.2 | Low | 114 Ų | 114 | 148.9 Ų | 148.9 | 74% | 0.74 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 138.9 | 176 | 31.6 | -31.5 | 0 | 0 | 0 | 111.5 | ||
| 12 | V | 51.9 | Low | 55.9 | Low | 120 Ų | 120 | 142 Ų | 142 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 119.7 | 170.3 | 173.3 | 0 | 0 | 0 | 0 | 108.2 | ||
| 13 | V | 62.1 | Low | 55.4 | Low | 140 Ų | 140 | 139.9 Ų | 139.9 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | -88.9 | 110.1 | 169.3 | -86.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 14 | H | 47.1 | Very low | 54.5 | Low | 153 Ų | 153 | 135.7 Ų | 135.7 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | trans | -84 | 131 | 159.5 | -75.6 | -96.9 | 0 | 0 | 0 | 108.2 | ||||
| 15 | H | 57.7 | Low | 53.6 | Low | 192 Ų | 192 | 133 Ų | 133 | 89% | 0.889 | 79% | 0.791 | S | S | * | * | trans | -143.3 | 121.2 | 159.3 | -124.4 | -75.6 | 0 | 0 | 0 | 110.2 | ||||
| 16 | E | 44.7 | Very low | 52.8 | Low | 176 Ų | 176 | 133 Ų | 133 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -69.2 | 156.9 | -178.7 | -61.7 | -81.9 | 128.6 | 0 | 0 | 113.2 | ||||
| 17 | G | 49.9 | Very low | 51.9 | Low | 77 Ų | 77 | 132.8 Ų | 132.8 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | 121.2 | 93.8 | 146.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 18 | Y | 46.8 | Very low | 50.9 | Low | 226 Ų | 226 | 126.3 Ų | 126.3 | 89% | 0.886 | 76% | 0.76 | S | S | * | * | trans | -79.3 | 158 | 160.6 | -91.9 | -91.4 | 0 | 0 | 0 | 111.3 | ||||
| 19 | P | 55.1 | Low | 49.5 | Very low | 122 Ų | 122 | 124 Ų | 124 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | -142.6 | 129.9 | 91.7 | 30.8 | -11.6 | 0 | 0 | 0 | 113.3 | |||||
| 20 | F | 41.7 | Very low | 48.7 | Very low | 192 Ų | 192 | 118.4 Ų | 118.4 | 84% | 0.842 | 74% | 0.737 | S | S | * | * | 49.2 | 119.3 | 93.2 | -171 | -103.7 | 0 | 0 | 0 | 114.6 | |||||
| 21 | A | 45.8 | Very low | 47.9 | Very low | 88 Ų | 88 | 112.8 Ų | 112.8 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | trans | 114.7 | 8.2 | 152.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 22 | A | 46.9 | Very low | 47 | Very low | 103 Ų | 103 | 111.7 Ų | 111.7 | 85% | 0.851 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -120.6 | -8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 23 | A | 42.8 | Very low | 46.6 | Very low | 79 Ų | 79 | 110.8 Ų | 110.8 | 65% | 0.653 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -109.5 | -0.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 24 | A | 43.4 | Very low | 45.6 | Very low | 91 Ų | 91 | 113.8 Ų | 113.8 | 75% | 0.752 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -74.4 | -24.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 25 | A | 44.1 | Very low | 45 | Very low | 85 Ų | 85 | 112.6 Ų | 112.6 | 70% | 0.702 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -78.5 | -23.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A27 | A25-A27 VanDerWaalsContact C-N 3.32Å |
| 26 | A | 43.4 | Very low | 44 | Very low | 74 Ų | 74 | 108.1 Ų | 108.1 | 61% | 0.612 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -75.4 | -21.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 27 | A | 43.8 | Very low | 43.6 | Very low | 68 Ų | 68 | 107.1 Ų | 107.1 | 56% | 0.562 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -78.5 | -24.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A25 | A25-A27 VanDerWaalsContact C-N 3.32Å |
| 28 | A | 42.4 | Very low | 43 | Very low | 72 Ų | 72 | 112 Ų | 112 | 60% | 0.595 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -81.7 | -33.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | A30 A31 | A28-A30 VanDerWaalsContact C-N 3.33Å; A28-A31 PolarHBondContact O-N 2.95Å |
| 29 | A | 42.3 | Very low | 42.8 | Very low | 72 Ų | 72 | 107.1 Ų | 107.1 | 60% | 0.595 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -70.1 | -29.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A31 A32 | A29-A31 PolarHBondContact O-N 3.17Å; A29-A32 PolarHBondContact O-N 2.82Å |
| 30 | A | 44.7 | Very low | 42.4 | Very low | 72 Ų | 72 | 104.6 Ų | 104.6 | 60% | 0.595 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -11.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | A28 | A28-A30 VanDerWaalsContact C-N 3.33Š|
| 31 | A | 45.2 | Very low | 43.2 | Very low | 53 Ų | 53 | 100.5 Ų | 100.5 | 44% | 0.438 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.8 | -16.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A28 A29 R34 | A28-A31 PolarHBondContact O-N 2.95Å; A29-A31 PolarHBondContact O-N 3.17Å; A31-R34 VanDerWaalsContact O-CD 3.23Å; A31-R34 WeakPolarHBondContact O-CD 3.43Å; A31-R34 VanDerWaalsContact O-CG 3.28Å; A31-R34 WeakPolarHBondContact O-CG 2.86Å |
| 32 | A | 45.5 | Very low | 43.3 | Very low | 90 Ų | 90 | 103.8 Ų | 103.8 | 74% | 0.744 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -9.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A29 R34 | A29-A32 PolarHBondContact O-N 2.82Å; A32-R34 PolarHBondContact O-N 3.2Å |
| 33 | S | 43.5 | Very low | 43.4 | Very low | 101 Ų | 101 | 106.6 Ų | 106.6 | 71% | 0.706 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 11.9 | 170.2 | -59.7 | 0 | 0 | 0 | 0 | 113.4 | C35 | S33-C35 PolarHBondContact O-N 3.27Š|
| 34 | R | 41.4 | Very low | 43.7 | Very low | 204 Ų | 204 | 110 Ų | 110 | 77% | 0.77 | 66% | 0.658 | S | S | * | * | trans | -80.2 | 56.7 | 179.6 | -65.9 | 178.7 | 167.1 | -102 | -1 | 111.5 | A31 A32 | A31-R34 VanDerWaalsContact O-CD 3.23Å; A31-R34 WeakPolarHBondContact O-CD 3.43Å; A31-R34 VanDerWaalsContact O-CG 3.28Å; A31-R34 WeakPolarHBondContact O-CG 2.86Å; A32-R34 PolarHBondContact O-N 3.2Å | ||
| 35 | C | 33.9 | Very low | 44.3 | Very low | 127 Ų | 127 | 109.1 Ų | 109.1 | 86% | 0.858 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -171.5 | 47.9 | 169.6 | -107.6 | 0 | 0 | 0 | 0 | 112.2 | S33 | S33-C35 PolarHBondContact O-N 3.27Š|
| 36 | S | 37.4 | Very low | 44.9 | Very low | 98 Ų | 98 | 113.5 Ų | 113.5 | 69% | 0.685 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -144 | 103.3 | 168.9 | -65.3 | 0 | 0 | 0 | 0 | 109.4 | E38 | S36-E38 PolarHBondContact O-N 3.17Š|
| 37 | H | 36.5 | Very low | 45.1 | Very low | 155 Ų | 155 | 115.9 Ų | 115.9 | 72% | 0.718 | 66% | 0.659 | S | S | * | * | trans | 23.9 | 89.9 | 135.4 | -151.5 | -91.7 | 0 | 0 | 0 | 115.6 | E39 | H37-E39 VanDerWaalsContact CE1-CD 3.46Å; H37-E39 IonicContact CE1-OE1 3.67Å; H37-E39 PolarHBondContact CE1-OE1 3.13Å; H37-E39 VanDerWaalsContact CE1-OE1 3.22Å; H37-E39 IonicContact CE1-OE2 2.89Å; H37-E39 PolarHBondContact CE1-OE2 2.99Å; H37-E39 IonicContact CG-OE1 3.37Å; H37-E39 IonicContact ND1-OE1 2.98Å; H37-E39 PolarHBondContact ND1-OE1 2.95Å; H37-E39 IonicContact ND1-OE2 3.58Å; H37-E39 PolarHBondContact ND1-OE2 3.41Å | ||
| 38 | E | 37.5 | Very low | 45.6 | Very low | 180 Ų | 180 | 121 Ų | 121 | 84% | 0.841 | 68% | 0.675 | S | S | * | * | trans | -129.9 | 88.7 | 165.6 | -73.4 | -83.3 | 122.7 | 0 | 0 | 106.8 | S36 N40 | S36-E38 PolarHBondContact O-N 3.17Å; E38-N40 PolarHBondContact O-N 3.19Å | ||
| 39 | E | 41 | Very low | 45.6 | Very low | 123 Ų | 123 | 120.5 Ų | 120.5 | 58% | 0.575 | 68% | 0.677 | S | S | * | * | trans | -41.3 | 120.9 | 165.8 | 21.6 | -84.2 | 100.3 | 0 | 0 | 110.7 | H37 P41 | H37-E39 VanDerWaalsContact CE1-CD 3.46Å; H37-E39 IonicContact CE1-OE1 3.67Å; H37-E39 PolarHBondContact CE1-OE1 3.13Å; H37-E39 VanDerWaalsContact CE1-OE1 3.22Å; H37-E39 IonicContact CE1-OE2 2.89Å; H37-E39 PolarHBondContact CE1-OE2 2.99Å; H37-E39 IonicContact CG-OE1 3.37Å; H37-E39 IonicContact ND1-OE1 2.98Å; H37-E39 PolarHBondContact ND1-OE1 2.95Å; H37-E39 IonicContact ND1-OE2 3.58Å; H37-E39 PolarHBondContact ND1-OE2 3.41Å; E39-P41 WeakPolarHBondContact O-CD 3.26Å | ||
| 40 | N | 47.1 | Very low | 45.7 | Very low | 69 Ų | 69 | 123.6 Ų | 123.6 | 37% | 0.369 | 68% | 0.679 | S | S | . | * | trans | -57.4 | 108.4 | -176.4 | -173.9 | 28.3 | 0 | 0 | 0 | 111.3 | E38 Y42 F43 | E38-N40 PolarHBondContact O-N 3.19Å; N40-Y42 PolarHBondContact O-N 3.49Å; N40-Y42 WeakPolarHBondContact OD1-CB 3.24Å; N40-Y42 PolarHBondContact OD1-N 3.18Å; N40-F43 HydrophobicContact CB-CD2 3.75Å; N40-F43 HydrophobicContact CB-CE2 4.37Å; N40-F43 WeakPolarHBondContact ND2-CD2 3.48Å; N40-F43 WeakPolarHBondContact ND2-CE2 3.41Å; N40-F43 PolarHBondContact O-N 2.97Å | ||
| 41 | P | 58.2 | Low | 45.9 | Very low | 107 Ų | 107 | 126.6 Ų | 126.6 | 70% | 0.695 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 3.3 | 177.9 | 29.9 | -32.6 | 0 | 0 | 0 | 112.2 | E39 | E39-P41 WeakPolarHBondContact O-CD 3.26Š|
| 42 | Y | 49 | Very low | 45.8 | Very low | 157 Ų | 157 | 131.3 Ų | 131.3 | 62% | 0.616 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | -8 | 177.9 | -73 | -89.1 | 0 | 0 | 0 | 115 | N40 | N40-Y42 PolarHBondContact O-N 3.49Å; N40-Y42 WeakPolarHBondContact OD1-CB 3.24Å; N40-Y42 PolarHBondContact OD1-N 3.18Å |
| 43 | F | 48.5 | Very low | 45.9 | Very low | 162 Ų | 162 | 135.1 Ų | 135.1 | 71% | 0.711 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -84.7 | -24.2 | 177.8 | -90.7 | -60.8 | 0 | 0 | 0 | 114.3 | N40 G45 | N40-F43 HydrophobicContact CB-CD2 3.75Å; N40-F43 HydrophobicContact CB-CE2 4.37Å; N40-F43 WeakPolarHBondContact ND2-CD2 3.48Å; N40-F43 WeakPolarHBondContact ND2-CE2 3.41Å; N40-F43 PolarHBondContact O-N 2.97Å; F43-G45 VanDerWaalsContact C-N 3.27Å; F43-G45 PolarHBondContact O-N 3.47Å |
| 44 | H | 49.5 | Very low | 45.9 | Very low | 149 Ų | 149 | 134.9 Ų | 134.9 | 69% | 0.69 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -8.5 | -172.9 | -73.4 | -80.7 | 0 | 0 | 0 | 115.9 | ||
| 45 | G | 54.5 | Low | 46.7 | Very low | 73 Ų | 73 | 130 Ų | 130 | 75% | 0.753 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -4.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | F43 | F43-G45 VanDerWaalsContact C-N 3.27Å; F43-G45 PolarHBondContact O-N 3.47Å |
| 46 | W | 57.8 | Low | 47.6 | Very low | 177 Ų | 177 | 129.4 Ų | 129.4 | 67% | 0.67 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -113.3 | -5.7 | -174.5 | -72.2 | 96.8 | 0 | 0 | 0 | 114.2 | I48 R111 | W46-I48 PolarHBondContact O-N 2.77Å; W46-R111 VanDerWaalsContact CZ2-NE 3.29Å |
| 47 | L | 48.2 | Very low | 47.8 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 65% | 0.649 | 70% | 0.702 | S | S | * | * | trans | -82.1 | 101 | 178.1 | -151.2 | 73.9 | 0 | 0 | 0 | 109.1 | G49 | L47-G49 VanDerWaalsContact C-N 3.29Å; L47-G49 PolarHBondContact O-N 2.89Å | ||
| 48 | I | 53.9 | Low | 48.1 | Very low | 176 Ų | 176 | 135 Ų | 135 | 90% | 0.903 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | 94.5 | 162.4 | -63.3 | 165.8 | 0 | 0 | 0 | 105.9 | W46 | W46-I48 PolarHBondContact O-N 2.77Š|
| 49 | G | 42.9 | Very low | 48.2 | Very low | 62 Ų | 62 | 130.8 Ų | 130.8 | 64% | 0.639 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 143.3 | 25 | 172.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | L47 P51 | L47-G49 VanDerWaalsContact C-N 3.29Å; L47-G49 PolarHBondContact O-N 2.89Å; G49-P51 WeakPolarHBondContact O-CD 3.15Å |
| 50 | H | 44.6 | Very low | 48.3 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 63% | 0.634 | 71% | 0.712 | S | S | * | * | trans | -102.1 | 109.2 | 163 | -98.9 | -86.4 | 0 | 0 | 0 | 110.9 | E52 | H50-E52 PolarHBondContact O-N 3.17Š| ||
| 51 | P | 48.1 | Very low | 48 | Very low | 134 Ų | 134 | 133.8 Ų | 133.8 | 87% | 0.87 | 73% | 0.729 | S | S | * | * | trans | -80.9 | 20.6 | 168.7 | 34.1 | -32.9 | 0 | 0 | 0 | 112.7 | G49 | G49-P51 WeakPolarHBondContact O-CD 3.15Š| ||
| 52 | E | 42.6 | Very low | 47.1 | Very low | 152 Ų | 152 | 136 Ų | 136 | 71% | 0.71 | 73% | 0.734 | S | S | * | * | trans | -125.8 | 70.8 | -165.5 | -133.4 | -83.8 | 150 | 0 | 0 | 109.2 | H50 | H50-E52 PolarHBondContact O-N 3.17Š| ||
| 53 | M | 48.4 | Very low | 46.6 | Very low | 170 Ų | 170 | 133.7 Ų | 133.7 | 84% | 0.837 | 74% | 0.741 | S | S | * | * | trans | -160.8 | 66 | 157.8 | -161.9 | 65.7 | 82.7 | 0 | 0 | 107.5 | P55 | M53-P55 WeakPolarHBondContact O-CD 3.35Š| ||
| 54 | S | 42.7 | Very low | 46 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 120.7 | 163.2 | -170.2 | 0 | 0 | 0 | 0 | 107 | ||
| 55 | P | 57.7 | Low | 45.5 | Very low | 103 Ų | 103 | 134 Ų | 134 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 133.7 | 165.2 | -16.9 | 30.5 | 0 | 0 | 0 | 107.2 | M53 D57 | M53-P55 WeakPolarHBondContact O-CD 3.35Å; P55-D57 PolarHBondContact O-N 2.85Å |
| 56 | P | 53.8 | Low | 45.3 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 74% | 0.74 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 135.7 | -178.9 | 24.8 | -31.7 | 0 | 0 | 0 | 108.2 | Y58 | P56-Y58 PolarHBondContact O-N 3.1Š|
| 57 | D | 41 | Very low | 44.3 | Very low | 145 Ų | 145 | 133 Ų | 133 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | trans | -36.4 | 110.7 | 174.2 | -52.1 | -63 | 0 | 0 | 0 | 109.7 | P55 S59 | P55-D57 PolarHBondContact O-N 2.85Å; D57-S59 PolarHBondContact O-N 2.73Å | ||
| 58 | Y | 42.5 | Very low | 43.9 | Very low | 224 Ų | 224 | 136.3 Ų | 136.3 | 88% | 0.878 | 75% | 0.745 | S | S | * | * | trans | -73.3 | 72.4 | 170 | -148 | -88.6 | 0 | 0 | 0 | 107.1 | P56 M60 | P56-Y58 PolarHBondContact O-N 3.1Å; Y58-M60 PolarHBondContact O-N 3.16Å | ||
| 59 | S | 40.3 | Very low | 43.3 | Very low | 92 Ų | 92 | 132.2 Ų | 132.2 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | trans | -58.4 | 118.6 | 167.6 | 171.4 | 0 | 0 | 0 | 0 | 108.2 | D57 | D57-S59 PolarHBondContact O-N 2.73Š| ||
| 60 | M | 42.7 | Very low | 43.2 | Very low | 167 Ų | 167 | 135 Ų | 135 | 82% | 0.823 | 75% | 0.747 | S | S | * | * | trans | 71 | 74.4 | 137.3 | -138.9 | 153.7 | -146.1 | 0 | 0 | 116.7 | Y58 | Y58-M60 PolarHBondContact O-N 3.16Š| ||
| 61 | A | 41.4 | Very low | 42.8 | Very low | 89 Ų | 89 | 132.2 Ų | 132.2 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | -122.8 | 99.7 | 152.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 62 | L | 39.6 | Very low | 42.4 | Very low | 152 Ų | 152 | 130.8 Ų | 130.8 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | trans | -41.7 | 145.1 | 172.3 | -75.1 | 133.5 | 0 | 0 | 0 | 114.6 | ||||
| 63 | S | 37.7 | Very low | 42.5 | Very low | 110 Ų | 110 | 128.3 Ų | 128.3 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | 75.6 | 91.8 | 149.5 | -52.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 64 | Y | 35.8 | Very low | 42.2 | Very low | 215 Ų | 215 | 124 Ų | 124 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | -165.9 | 100 | 127 | -161.1 | -111 | 0 | 0 | 0 | 111 | P66 | Y64-P66 HydrophobicContact CE1-CG 3.98Å; Y64-P66 HydrophobicContact CE2-CG 4.08Å | |||
| 65 | S | 39.7 | Very low | 42.7 | Very low | 102 Ų | 102 | 127.2 Ų | 127.2 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | trans | -130.3 | 122.9 | 160.2 | -179.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 66 | P | 50.1 | Low | 42 | Very low | 91 Ų | 91 | 128.4 Ų | 128.4 | 59% | 0.591 | 77% | 0.769 | S | S | * | * | trans | -130.5 | 96.6 | 149 | 15.7 | 5.8 | 0 | 0 | 0 | 109.4 | Y64 | Y64-P66 HydrophobicContact CE1-CG 3.98Å; Y64-P66 HydrophobicContact CE2-CG 4.08Å | ||
| 67 | E | 37.8 | Very low | 41.8 | Very low | 138 Ų | 138 | 131.1 Ų | 131.1 | 65% | 0.645 | 77% | 0.771 | S | S | * | * | trans | -84 | 140.6 | 158.3 | -63.3 | -149.9 | 146.6 | 0 | 0 | 109.7 | ||||
| 68 | Y | 39 | Very low | 42.1 | Very low | 194 Ų | 194 | 129.3 Ų | 129.3 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | trans | 4.1 | 144.2 | 164.7 | 53 | -98.3 | 0 | 0 | 0 | 120.5 | ||||
| 69 | A | 40.5 | Very low | 42.5 | Very low | 89 Ų | 89 | 126.9 Ų | 126.9 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | 103.2 | 128 | 147.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 70 | S | 41.2 | Very low | 42.7 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | 83 | 92.9 | 146.9 | -61.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 71 | G | 36.9 | Very low | 42.7 | Very low | 77 Ų | 77 | 128.9 Ų | 128.9 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | 97.1 | 125.3 | 105 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 72 | A | 39.2 | Very low | 42.9 | Very low | 104 Ų | 104 | 128 Ų | 128 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | 71.2 | 105.1 | 147.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 73 | A | 45 | Very low | 43.8 | Very low | 101 Ų | 101 | 127.5 Ų | 127.5 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | 145.3 | 124.6 | 99.2 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 74 | G | 41.9 | Very low | 44.6 | Very low | 79 Ų | 79 | 127.5 Ų | 127.5 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | trans | 73.4 | 108 | 147.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 75 | L | 54 | Low | 45 | Very low | 163 Ų | 163 | 123.6 Ų | 123.6 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | 173.8 | 140 | 88 | -163.5 | 65.4 | 0 | 0 | 0 | 108.9 | |||||
| 76 | D | 42.5 | Very low | 45.1 | Very low | 129 Ų | 129 | 122.6 Ų | 122.6 | 69% | 0.69 | 78% | 0.784 | S | S | * | * | trans | -65.3 | 142.3 | -174.7 | 58.2 | -72.4 | 0 | 0 | 0 | 114.6 | ||||
| 77 | H | 50.4 | Low | 45.3 | Very low | 170 Ų | 170 | 122.9 Ų | 122.9 | 79% | 0.787 | 80% | 0.795 | S | S | * | * | -161 | 110.4 | 127 | -157.4 | 64.4 | 0 | 0 | 0 | 109.2 | |||||
| 78 | S | 46.8 | Very low | 46 | Very low | 107 Ų | 107 | 119.6 Ų | 119.6 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | -89.1 | 121 | 179.7 | -170.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 79 | H | 49.8 | Very low | 47.3 | Very low | 174 Ų | 174 | 116 Ų | 116 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | -134.3 | 102.9 | 161.4 | -147.7 | -80.3 | 0 | 0 | 0 | 109.9 | ||||
| 80 | Y | 45.4 | Very low | 48.2 | Very low | 217 Ų | 217 | 117.3 Ų | 117.3 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | 1.3 | 113.2 | 164.8 | -96.1 | -102.4 | 0 | 0 | 0 | 119.7 | ||||
| 81 | G | 42.4 | Very low | 48.5 | Very low | 83 Ų | 83 | 115.3 Ų | 115.3 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | 59.6 | 105.2 | 121.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 82 | G | 45.1 | Very low | 49.5 | Very low | 71 Ų | 71 | 120.2 Ų | 120.2 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | trans | -172.6 | 90.9 | 164 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 83 | V | 59.3 | Low | 50.2 | Low | 141 Ų | 141 | 118.8 Ų | 118.8 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | 2.5 | 160.4 | 143.4 | -102.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 84 | P | 53.5 | Low | 50.9 | Low | 110 Ų | 110 | 116.7 Ų | 116.7 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | cis | -133 | -175.2 | -40.8 | 30 | -6.4 | 0 | 0 | 0 | 112.1 | ||||
| 85 | P | 44 | Very low | 52 | Low | 134 Ų | 134 | 118.9 Ų | 118.9 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | trans | -83 | 126.5 | -162.5 | 34.2 | -28.4 | 0 | 0 | 0 | 112.2 | ||||
| 86 | G | 42.7 | Very low | 52.5 | Low | 80 Ų | 80 | 122.1 Ų | 122.1 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -178.4 | 62.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 87 | A | 53.3 | Low | 53.4 | Low | 97 Ų | 97 | 120.7 Ų | 120.7 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -163.3 | 66.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 88 | G | 54.3 | Low | 54 | Low | 70 Ų | 70 | 118.3 Ų | 118.3 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 125.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||
| 89 | P | 64.4 | Low | 54.8 | Low | 119 Ų | 119 | 122 Ų | 122 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -67 | 130.1 | 175.4 | 26.3 | -30.1 | 0 | 0 | 0 | 108.9 | ||
| 90 | P | 60.8 | Low | 55.4 | Low | 116 Ų | 116 | 123.9 Ų | 123.9 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 138.3 | 176.5 | 27.7 | -31.3 | 0 | 0 | 0 | 109.2 | L92 | P90-L92 PolarHBondContact O-N 2.8Š|
| 91 | G | 47.7 | Very low | 56.9 | Low | 79 Ų | 79 | 122 Ų | 122 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | trans | -43.6 | 123.4 | -174 | 0 | 0 | 0 | 0 | 0 | 114 | G93 | G91-G93 PolarHBondContact O-N 3.3Š| ||
| 92 | L | 56.4 | Low | 58.8 | Low | 180 Ų | 180 | 120.2 Ų | 120.2 | 94% | 0.942 | 76% | 0.76 | S | S | * | * | trans | -72.2 | 59.1 | 169.5 | -64.3 | 170.2 | 0 | 0 | 0 | 110.3 | P90 G94 | P90-L92 PolarHBondContact O-N 2.8Å; L92-G94 PolarHBondContact O-N 3.15Å; L92-G94 VanDerWaalsContact O-N 3.14Å | ||
| 93 | G | 53.9 | Low | 60.5 | Low | 75 Ų | 75 | 121.9 Ų | 121.9 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -82.4 | 53.9 | 167 | 0 | 0 | 0 | 0 | 0 | 110.6 | G91 | G91-G93 PolarHBondContact O-N 3.3Š| ||
| 94 | G | 60.4 | Low | 61.8 | Low | 56 Ų | 56 | 117.7 Ų | 117.7 | 58% | 0.577 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 136 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | L92 R96 | L92-G94 PolarHBondContact O-N 3.15Å; L92-G94 VanDerWaalsContact O-N 3.14Å; G94-R96 PolarHBondContact O-N 3.41Å; G94-R96 VanDerWaalsContact O-N 3.14Å |
| 95 | P | 64.9 | Low | 63.7 | Low | 126 Ų | 126 | 117.1 Ų | 117.1 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 120.3 | 179.3 | 22.9 | -30.7 | 0 | 0 | 0 | 109.8 | ||
| 96 | R | 64.1 | Low | 66 | Low | 231 Ų | 231 | 119 Ų | 119 | 87% | 0.872 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 135.2 | 177.5 | -68.4 | -179.6 | -178.5 | -98.3 | 1.5 | 110 | G94 V98 | G94-R96 PolarHBondContact O-N 3.41Å; G94-R96 VanDerWaalsContact O-N 3.14Å; R96-V98 PolarHBondContact O-N 3.36Å |
| 97 | P | 62.3 | Low | 68.5 | Low | 98 Ų | 98 | 121.6 Ų | 121.6 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | trans | -64.3 | 111.6 | -169.2 | 23.5 | -32.7 | 0 | 0 | 0 | 111.7 | K99 | P97-K99 PolarHBondContact O-N 3.3Š| ||
| 98 | V | 63.2 | Low | 70.5 | Confident | 120 Ų | 120 | 121 Ų | 121 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | -12.7 | 175.5 | -140 | 0 | 0 | 0 | 0 | 113.3 | R96 R100 R101 | R96-V98 PolarHBondContact O-N 3.36Å; V98-R100 PolarHBondContact O-N 2.8Å; V98-R101 WeakPolarHBondContact O-CB 3.19Å; V98-R101 PolarHBondContact O-N 2.8Å |
| 99 | K | 62.8 | Low | 72.6 | Confident | 184 Ų | 184 | 127 Ų | 127 | 80% | 0.8 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -63.2 | -33.3 | -175.8 | -82.1 | 171.9 | 173.4 | 177.7 | 0 | 114.1 | P97 R101 G102 | P97-K99 PolarHBondContact O-N 3.3Å; K99-R101 PolarHBondContact O-N 3.2Å; K99-G102 PolarHBondContact O-N 3.28Å |
| 100 | R | 62.9 | Low | 74.1 | Confident | 214 Ų | 214 | 129.4 Ų | 129.4 | 81% | 0.808 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -66.8 | -24.4 | 177.7 | -68.9 | -166.3 | -177.6 | -115.2 | 2 | 113 | V98 T103 A104 | V98-R100 PolarHBondContact O-N 2.8Å; R100-T103 PolarHBondContact O-OG1 3.39Å; R100-T103 VanDerWaalsContact O-OG1 3.06Å; R100-A104 PolarHBondContact O-N 3.28Å |
| 101 | R | 77.4 | Confident | 75.9 | Confident | 179 Ų | 179 | 128.6 Ų | 128.6 | 68% | 0.675 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -72.6 | -31 | 178.4 | -159.8 | 172.7 | -174.7 | 170.4 | 2.1 | 111.9 | V98 K99 N105 | V98-R101 WeakPolarHBondContact O-CB 3.19Å; V98-R101 PolarHBondContact O-N 2.8Å; K99-R101 PolarHBondContact O-N 3.2Å; R101-N105 VanDerWaalsContact O-CB 3.28Å; R101-N105 WeakPolarHBondContact O-CB 3.45Å; R101-N105 PolarHBondContact O-N 2.79Å; R101-N105 PolarHBondContact O-ND2 3.26Å; R101-N105 PolarHBondContact O-OD1 3.49Å |
| 102 | G | 80.7 | Confident | 78.3 | Confident | 45 Ų | 45 | 127.4 Ų | 127.4 | 46% | 0.464 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -65.3 | -43.1 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | K99 R106 | K99-G102 PolarHBondContact O-N 3.28Å; G102-R106 WeakPolarHBondContact O-CB 2.99Å; G102-R106 PolarHBondContact O-N 2.79Å |
| 103 | T | 81.6 | Confident | 80.3 | Confident | 105 Ų | 105 | 124.8 Ų | 124.8 | 64% | 0.644 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.6 | -44 | 178.3 | 55.6 | 0 | 0 | 0 | 0 | 111.5 | R100 R106 K107 | R100-T103 PolarHBondContact O-OG1 3.39Å; R100-T103 VanDerWaalsContact O-OG1 3.06Å; T103-R106 PolarHBondContact O-N 2.77Å; T103-K107 PolarHBondContact O-N 3.22Å |
| 104 | A | 87.2 | Confident | 82.4 | Confident | 54 Ų | 54 | 125.1 Ų | 125.1 | 45% | 0.446 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -60.6 | -46.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R100 R106 K107 E108 | R100-A104 PolarHBondContact O-N 3.28Å; A104-R106 VanDerWaalsContact C-N 3.31Å; A104-R106 PolarHBondContact O-N 3.35Å; A104-K107 WeakPolarHBondContact O-CB 3.21Å; A104-K107 PolarHBondContact O-N 2.84Å; A104-K107 VanDerWaalsContact O-N 3.11Å; A104-E108 PolarHBondContact O-N 3.14Å |
| 105 | N | 93.2 | Very high | 84.2 | Confident | 97 Ų | 97 | 125.6 Ų | 125.6 | 52% | 0.519 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61.9 | -39.1 | 177.7 | -71 | -4.5 | 0 | 0 | 0 | 112 | R101 K107 E108 R109 | R101-N105 VanDerWaalsContact O-CB 3.28Å; R101-N105 WeakPolarHBondContact O-CB 3.45Å; R101-N105 PolarHBondContact O-N 2.79Å; R101-N105 PolarHBondContact O-ND2 3.26Å; R101-N105 PolarHBondContact O-OD1 3.49Å; N105-K107 VanDerWaalsContact C-N 3.33Å; N105-E108 PolarHBondContact O-N 2.94Å; N105-R109 PolarHBondContact O-N 2.98Å |
| 106 | R | 92.8 | Very high | 85.7 | Confident | 174 Ų | 174 | 122.9 Ų | 122.9 | 66% | 0.657 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.7 | -40.1 | 174.9 | -177.1 | 175.8 | -69.8 | -177 | -2.4 | 111.3 | G102 T103 A104 R110 | G102-R106 WeakPolarHBondContact O-CB 2.99Å; G102-R106 PolarHBondContact O-N 2.79Å; T103-R106 PolarHBondContact O-N 2.77Å; A104-R106 VanDerWaalsContact C-N 3.31Å; A104-R106 PolarHBondContact O-N 3.35Å; R106-R110 WeakPolarHBondContact O-CG 3.5Å; R106-R110 PolarHBondContact O-N 3.45Å; R106-R110 VanDerWaalsContact O-N 3.15Å |
| 107 | K | 94.7 | Very high | 87.3 | Confident | 135 Ų | 135 | 114.6 Ų | 114.6 | 59% | 0.587 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.3 | -47.6 | 176.3 | -171.5 | 177.4 | -179.6 | 179.3 | 0 | 111.6 | T103 A104 N105 R109 R110 R111 | T103-K107 PolarHBondContact O-N 3.22Å; A104-K107 WeakPolarHBondContact O-CB 3.21Å; A104-K107 PolarHBondContact O-N 2.84Å; A104-K107 VanDerWaalsContact O-N 3.11Å; N105-K107 VanDerWaalsContact C-N 3.33Å; K107-R109 VanDerWaalsContact C-N 3.33Å; K107-R109 PolarHBondContact O-N 3.14Å; K107-R110 WeakPolarHBondContact O-CB 3.34Å; K107-R110 PolarHBondContact O-N 2.97Å; K107-R110 VanDerWaalsContact O-N 3.17Å; K107-R111 PolarHBondContact O-N 2.86Å |
| 108 | E | 95.3 | Very high | 89.1 | Confident | 84 Ų | 84 | 112.4 Ų | 112.4 | 39% | 0.393 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65 | -36.6 | 179.3 | -174.7 | 53.8 | -144.8 | 0 | 0 | 112.4 | A104 N105 R110 R111 T112 | A104-E108 PolarHBondContact O-N 3.14Å; N105-E108 PolarHBondContact O-N 2.94Å; E108-R110 VanDerWaalsContact C-N 3.34Å; E108-R110 PolarHBondContact O-N 2.83Å; E108-R111 PolarHBondContact O-N 3.15Å; E108-R111 IonicContact OE1-NH1 3.22Å; E108-R111 PolarHBondContact OE1-NH1 3.5Å; E108-R111 WeakPolarHBondContact OE2-CD 3.16Å; E108-R111 IonicContact OE2-NH1 2.67Å; E108-T112 WeakPolarHBondContact O-CB 3.31Å; E108-T112 PolarHBondContact O-N 3.44Å; E108-T112 PolarHBondContact O-OG1 3.17Å; E108-T112 VanDerWaalsContact O-OG1 3.09Å; E108-T112 PolarHBondContact OE1-OG1 3.01Å |
| 109 | R | 97.2 | Very high | 90.7 | Very high | 197 Ų | 197 | 108.3 Ų | 108.3 | 74% | 0.743 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.9 | -43.4 | 173.4 | -179 | 176.1 | -80.4 | 154.3 | -5.6 | 111.7 | N105 K107 T112 Q113 | N105-R109 PolarHBondContact O-N 2.98Å; K107-R109 VanDerWaalsContact C-N 3.33Å; K107-R109 PolarHBondContact O-N 3.14Å; R109-T112 PolarHBondContact O-N 3.35Å; R109-Q113 WeakPolarHBondContact O-CB 3.5Å; R109-Q113 PolarHBondContact O-N 3.48Å |
| 110 | R | 96.9 | Very high | 92.3 | Very high | 168 Ų | 168 | 101.5 Ų | 101.5 | 63% | 0.634 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.1 | -44.9 | 175.7 | -73.7 | -178.7 | 175.4 | -168.5 | -2.5 | 111.8 | R106 K107 E108 T112 Q113 S114 | R106-R110 WeakPolarHBondContact O-CG 3.5Å; R106-R110 PolarHBondContact O-N 3.45Å; R106-R110 VanDerWaalsContact O-N 3.15Å; K107-R110 WeakPolarHBondContact O-CB 3.34Å; K107-R110 PolarHBondContact O-N 2.97Å; K107-R110 VanDerWaalsContact O-N 3.17Å; E108-R110 VanDerWaalsContact C-N 3.34Å; E108-R110 PolarHBondContact O-N 2.83Å; R110-T112 PolarHBondContact O-N 3.5Å; R110-Q113 PolarHBondContact O-N 3.44Å; R110-S114 PolarHBondContact O-N 2.84Å |
| 111 | R | 97.9 | Very high | 93.9 | Very high | 100 Ų | 100 | 97 Ų | 97 | 38% | 0.377 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.2 | -49 | 174.6 | 178.8 | 179.8 | 172.2 | -100.1 | 1.1 | 111.5 | W46 K107 E108 Q113 S114 I115 | W46-R111 VanDerWaalsContact CZ2-NE 3.29Å; K107-R111 PolarHBondContact O-N 2.86Å; E108-R111 PolarHBondContact O-N 3.15Å; E108-R111 IonicContact OE1-NH1 3.22Å; E108-R111 PolarHBondContact OE1-NH1 3.5Å; E108-R111 WeakPolarHBondContact OE2-CD 3.16Å; E108-R111 IonicContact OE2-NH1 2.67Å; R111-Q113 VanDerWaalsContact C-N 3.32Å; R111-Q113 PolarHBondContact O-N 2.95Å; R111-S114 PolarHBondContact O-N 3.27Å; R111-I115 HydrophobicContact CG-CD1 4.14Å; R111-I115 WeakPolarHBondContact O-CG1 3.45Å; R111-I115 PolarHBondContact O-N 3.41Å |
| 112 | T | 98 | Very high | 94.8 | Very high | 53 Ų | 53 | 91.3 Ų | 91.3 | 33% | 0.325 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.7 | -39.1 | 177.4 | -64.4 | 0 | 0 | 0 | 0 | 112.1 | E108 R109 R110 I115 N116 | E108-T112 WeakPolarHBondContact O-CB 3.31Å; E108-T112 PolarHBondContact O-N 3.44Å; E108-T112 PolarHBondContact O-OG1 3.17Å; E108-T112 VanDerWaalsContact O-OG1 3.09Å; E108-T112 PolarHBondContact OE1-OG1 3.01Å; R109-T112 PolarHBondContact O-N 3.35Å; R110-T112 PolarHBondContact O-N 3.5Å; T112-I115 PolarHBondContact O-N 3.21Å; T112-N116 WeakPolarHBondContact O-CB 3.41Å; T112-N116 PolarHBondContact O-N 2.87Å; T112-N116 PolarHBondContact O-ND2 2.98Å |
| 113 | Q | 98.2 | Very high | 95.5 | Very high | 126 Ų | 126 | 92.7 Ų | 92.7 | 59% | 0.589 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -63.1 | -45.9 | 176.2 | -174.9 | 173.1 | 8.4 | 0 | 0 | 111.6 | R109 R110 R111 I115 N116 S117 | R109-Q113 WeakPolarHBondContact O-CB 3.5Å; R109-Q113 PolarHBondContact O-N 3.48Å; R110-Q113 PolarHBondContact O-N 3.44Å; R111-Q113 VanDerWaalsContact C-N 3.32Å; R111-Q113 PolarHBondContact O-N 2.95Å; Q113-I115 VanDerWaalsContact C-N 3.34Å; Q113-I115 PolarHBondContact O-N 3.45Å; Q113-N116 PolarHBondContact O-N 3.38Å; Q113-N116 VanDerWaalsContact O-N 3.13Å; Q113-S117 PolarHBondContact O-N 2.98Å; Q113-S117 PolarHBondContact O-OG 3.24Å |
| 114 | S | 98.2 | Very high | 96.2 | Very high | 82 Ų | 82 | 95.4 Ų | 95.4 | 57% | 0.573 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -57.5 | -45.4 | 175.1 | 168.1 | 0 | 0 | 0 | 0 | 112 | R110 R111 N116 S117 A118 | R110-S114 PolarHBondContact O-N 2.84Å; R111-S114 PolarHBondContact O-N 3.27Å; S114-N116 VanDerWaalsContact C-N 3.34Å; S114-N116 PolarHBondContact O-N 2.94Å; S114-S117 PolarHBondContact O-N 3.33Å; S114-A118 PolarHBondContact O-N 2.98Å; S114-A118 VanDerWaalsContact O-N 3.07Å |
| 115 | I | 98.1 | Very high | 96.6 | Very high | 66 Ų | 66 | 96.7 Ų | 96.7 | 34% | 0.338 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 175.2 | -66.7 | 165 | 0 | 0 | 0 | 111 | R111 T112 Q113 S117 A118 F119 | R111-I115 HydrophobicContact CG-CD1 4.14Å; R111-I115 WeakPolarHBondContact O-CG1 3.45Å; R111-I115 PolarHBondContact O-N 3.41Å; T112-I115 PolarHBondContact O-N 3.21Å; Q113-I115 VanDerWaalsContact C-N 3.34Å; Q113-I115 PolarHBondContact O-N 3.45Å; I115-S117 VanDerWaalsContact C-N 3.33Å; I115-S117 PolarHBondContact O-N 3.46Å; I115-A118 PolarHBondContact O-N 3.04Å; I115-F119 HydrophobicContact CG2-CD2 3.81Å; I115-F119 HydrophobicContact CG2-CE2 3.86Å; I115-F119 WeakPolarHBondContact O-CD2 3.3Å; I115-F119 PolarHBondContact O-N 2.95Å |
| 116 | N | 97.9 | Very high | 96.6 | Very high | 69 Ų | 69 | 92.4 Ų | 92.4 | 37% | 0.369 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67 | -33.7 | -179.5 | -70.5 | -26.3 | 0 | 0 | 0 | 112.6 | T112 Q113 S114 F119 A120 K137 | T112-N116 WeakPolarHBondContact O-CB 3.41Å; T112-N116 PolarHBondContact O-N 2.87Å; T112-N116 PolarHBondContact O-ND2 2.98Å; Q113-N116 PolarHBondContact O-N 3.38Å; Q113-N116 VanDerWaalsContact O-N 3.13Å; S114-N116 VanDerWaalsContact C-N 3.34Å; S114-N116 PolarHBondContact O-N 2.94Å; N116-F119 WeakPolarHBondContact O-CB 3.49Å; N116-F119 PolarHBondContact O-N 3.27Å; N116-A120 PolarHBondContact O-N 3.27Å; N116-A120 VanDerWaalsContact O-N 3.09Å; N116-K137 PolarHBondContact OD1-NZ 3.32Å |
| 117 | S | 97.9 | Very high | 96.7 | Very high | 57 Ų | 57 | 85.9 Ų | 85.9 | 40% | 0.399 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.9 | -47.5 | 171.6 | -64.3 | 0 | 0 | 0 | 0 | 111.5 | Q113 S114 I115 F119 A120 E121 | Q113-S117 PolarHBondContact O-N 2.98Å; Q113-S117 PolarHBondContact O-OG 3.24Å; S114-S117 PolarHBondContact O-N 3.33Å; I115-S117 VanDerWaalsContact C-N 3.33Å; I115-S117 PolarHBondContact O-N 3.46Å; S117-F119 VanDerWaalsContact C-N 3.26Å; S117-F119 PolarHBondContact O-N 3.46Å; S117-A120 WeakPolarHBondContact O-CA 3.35Å; S117-A120 VanDerWaalsContact O-CB 3.29Å; S117-A120 WeakPolarHBondContact O-CB 3.31Å; S117-A120 PolarHBondContact O-N 3.07Å; S117-E121 PolarHBondContact O-N 3.02Å |
| 118 | A | 98.1 | Very high | 96.4 | Very high | 52 Ų | 52 | 84.7 Ų | 84.7 | 43% | 0.43 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.1 | -36 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S114 I115 A120 L122 | S114-A118 PolarHBondContact O-N 2.98Å; S114-A118 VanDerWaalsContact O-N 3.07Å; I115-A118 PolarHBondContact O-N 3.04Å; A118-A120 VanDerWaalsContact C-N 3.29Å; A118-A120 PolarHBondContact O-N 2.85Å; A118-L122 WeakPolarHBondContact O-CB 3.46Å; A118-L122 PolarHBondContact O-N 2.91Å |
| 119 | F | 98.1 | Very high | 96.1 | Very high | 34 Ų | 34 | 82.2 Ų | 82.2 | 15% | 0.149 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -64.7 | -30.6 | 171 | -95.5 | -79.5 | 0 | 0 | 0 | 112.8 | I115 N116 S117 R123 K137 T140 L141 | I115-F119 HydrophobicContact CG2-CD2 3.81Å; I115-F119 HydrophobicContact CG2-CE2 3.86Å; I115-F119 WeakPolarHBondContact O-CD2 3.3Å; I115-F119 PolarHBondContact O-N 2.95Å; N116-F119 WeakPolarHBondContact O-CB 3.49Å; N116-F119 PolarHBondContact O-N 3.27Å; S117-F119 VanDerWaalsContact C-N 3.26Å; S117-F119 PolarHBondContact O-N 3.46Å; F119-R123 WeakPolarHBondContact O-CG 3.45Å; F119-R123 PolarHBondContact O-N 3.17Å; F119-R123 PolarHBondContact O-NH1 2.92Å; F119-K137 HydrophobicContact CD1-CG 4.37Å; F119-K137 HydrophobicContact CE1-CB 3.87Å; F119-K137 HydrophobicContact CE1-CG 4.06Å; F119-K137 HydrophobicContact CE2-CD 4.33Å; F119-K137 HydrophobicContact CE2-CG 4.48Å; F119-K137 HydrophobicContact CZ-CB 4.03Å; F119-K137 HydrophobicContact CZ-CD 4.29Å; F119-K137 HydrophobicContact CZ-CG 4.13Å; F119-T140 HydrophobicContact CD1-CG2 4.16Å; F119-L141 HydrophobicContact CE1-CD2 4.23Å; F119-L141 HydrophobicContact CE1-CG 4.17Å; F119-L141 HydrophobicContact CZ-CD2 4.37Å; F119-L141 HydrophobicContact CZ-CG 4.43Å |
| 120 | A | 95.6 | Very high | 95.7 | Very high | 40 Ų | 40 | 76 Ų | 76 | 33% | 0.331 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -70.8 | -48.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | N116 S117 A118 L122 R123 E124 | N116-A120 PolarHBondContact O-N 3.27Å; N116-A120 VanDerWaalsContact O-N 3.09Å; S117-A120 WeakPolarHBondContact O-CA 3.35Å; S117-A120 VanDerWaalsContact O-CB 3.29Å; S117-A120 WeakPolarHBondContact O-CB 3.31Å; S117-A120 PolarHBondContact O-N 3.07Å; A118-A120 VanDerWaalsContact C-N 3.29Å; A118-A120 PolarHBondContact O-N 2.85Å; A120-L122 VanDerWaalsContact C-N 3.29Å; A120-L122 PolarHBondContact O-N 3.5Å; A120-R123 WeakPolarHBondContact O-CB 3.21Å; A120-R123 PolarHBondContact O-N 3.42Å; A120-E124 PolarHBondContact O-N 3.19Å |
| 121 | E | 96.4 | Very high | 95 | Very high | 121 Ų | 121 | 73.3 Ų | 73.3 | 57% | 0.565 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -55.6 | -45 | 173.3 | -67.1 | 166.4 | -155 | 0 | 0 | 111.1 | S117 R123 E124 C125 | S117-E121 PolarHBondContact O-N 3.02Å; E121-R123 PolarHBondContact O-N 2.88Å; E121-E124 WeakPolarHBondContact O-CB 3.48Å; E121-E124 PolarHBondContact O-N 2.9Å; E121-E124 VanDerWaalsContact O-N 3.08Å; E121-C125 PolarHBondContact O-N 3.34Å; E121-C125 PolarHBondContact O-SG 3.24Å; E121-C125 VanDerWaalsContact O-SG 3.42Å |
| 122 | L | 97.5 | Very high | 94.5 | Very high | 58 Ų | 58 | 75 Ų | 75 | 30% | 0.304 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.8 | -29.9 | 176.3 | -176.5 | 59.1 | 0 | 0 | 0 | 113.3 | A118 A120 I126 T140 L141 A144 | A118-L122 WeakPolarHBondContact O-CB 3.46Å; A118-L122 PolarHBondContact O-N 2.91Å; A120-L122 VanDerWaalsContact C-N 3.29Å; A120-L122 PolarHBondContact O-N 3.5Å; L122-I126 WeakPolarHBondContact O-CG1 3.47Å; L122-T140 HydrophobicContact CB-CG2 4.27Å; L122-T140 HydrophobicContact CD2-CG2 3.73Å; L122-T140 HydrophobicContact CG-CG2 3.76Å; L122-L141 HydrophobicContact CD2-CD2 4.44Å; L122-A144 HydrophobicContact CD1-CB 3.86Å; L122-A144 HydrophobicContact CD2-CB 4.33Å; L122-A144 HydrophobicContact CG-CB 4.3Å |
| 123 | R | 95.6 | Very high | 94 | Very high | 74 Ų | 74 | 74.5 Ų | 74.5 | 28% | 0.279 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -72.9 | -33 | 176.7 | -71.6 | 177.7 | -163.8 | 92 | 3.4 | 112 | F119 A120 E121 C125 I126 L135 T140 | F119-R123 WeakPolarHBondContact O-CG 3.45Å; F119-R123 PolarHBondContact O-N 3.17Å; F119-R123 PolarHBondContact O-NH1 2.92Å; A120-R123 WeakPolarHBondContact O-CB 3.21Å; A120-R123 PolarHBondContact O-N 3.42Å; E121-R123 PolarHBondContact O-N 2.88Å; R123-C125 PolarHBondContact O-N 3.37Å; R123-I126 PolarHBondContact O-N 3.47Å; R123-L135 HydrophobicContact CG-CB 4.43Å; R123-L135 HydrophobicContact CG-CD1 4.29Å; R123-L135 PolarHBondContact NE-O 3.45Å; R123-T140 HydrophobicContact CG-CG2 3.86Å; R123-T140 PolarHBondContact NE-OG1 3.41Å |
| 124 | E | 94.9 | Very high | 93.6 | Very high | 163 Ų | 163 | 78 Ų | 78 | 76% | 0.762 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -67.2 | -28.9 | 177.2 | -64.5 | 172.1 | -170.3 | 0 | 0 | 111.6 | A120 E121 I126 | A120-E124 PolarHBondContact O-N 3.19Å; E121-E124 WeakPolarHBondContact O-CB 3.48Å; E121-E124 PolarHBondContact O-N 2.9Å; E121-E124 VanDerWaalsContact O-N 3.08Å; E124-I126 VanDerWaalsContact C-N 3.32Å; E124-I126 PolarHBondContact O-N 3.02Å |
| 125 | C | 95.3 | Very high | 93.3 | Very high | 80 Ų | 80 | 74.8 Ų | 74.8 | 54% | 0.541 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -11.4 | 176.1 | -56.4 | 0 | 0 | 0 | 0 | 114.6 | E121 R123 P127 Y147 | E121-C125 PolarHBondContact O-N 3.34Å; E121-C125 PolarHBondContact O-SG 3.24Å; E121-C125 VanDerWaalsContact O-SG 3.42Å; R123-C125 PolarHBondContact O-N 3.37Å; C125-P127 WeakPolarHBondContact O-CD 3.43Å; C125-Y147 WeakPolarHBondContact O-CE1 3.22Å |
| 126 | I | 95 | Very high | 93.1 | Very high | 8 Ų | 8 | 74.5 Ų | 74.5 | 4% | 0.041 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -88.9 | 115.7 | -178 | -62.2 | 166.2 | 0 | 0 | 0 | 109.3 | L122 R123 E124 V129 L135 T140 L143 F167 | L122-I126 WeakPolarHBondContact O-CG1 3.47Å; R123-I126 PolarHBondContact O-N 3.47Å; E124-I126 VanDerWaalsContact C-N 3.32Å; E124-I126 PolarHBondContact O-N 3.02Å; I126-V129 HydrophobicContact CB-CG2 4.32Å; I126-V129 HydrophobicContact CG2-CG2 3.58Å; I126-L135 HydrophobicContact CD1-CD1 3.95Å; I126-T140 HydrophobicContact CD1-CG2 3.94Å; I126-L143 HydrophobicContact CD1-CB 3.88Å; I126-L143 HydrophobicContact CG1-CB 4.44Å; I126-L143 HydrophobicContact CG2-CB 3.98Å; I126-L143 HydrophobicContact CG2-CD1 4.28Å; I126-F167 HydrophobicContact CG2-CE1 4.45Å |
| 127 | P | 94.2 | Very high | 93 | Very high | 36 Ų | 36 | 76.3 Ų | 76.3 | 23% | 0.234 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 160.2 | -178.9 | 27.2 | -30 | 0 | 0 | 0 | 112.4 | C125 V129 Y147 F167 | C125-P127 WeakPolarHBondContact O-CD 3.43Å; P127-V129 PolarHBondContact O-N 3.45Å; P127-Y147 HydrophobicContact CG-CD1 4.5Å; P127-Y147 HydrophobicContact CG-CD2 3.82Å; P127-Y147 HydrophobicContact CG-CE1 4.24Å; P127-Y147 HydrophobicContact CG-CE2 3.55Å; P127-Y147 HydrophobicContact CG-CG 4.31Å; P127-F167 HydrophobicContact CG-CD1 3.65Å; P127-F167 HydrophobicContact CG-CE1 4.2Å; P127-F167 HydrophobicContact CG-CG 4.32Å |
| 128 | N | 89.1 | Confident | 93 | Very high | 111 Ų | 111 | 78 Ų | 78 | 59% | 0.594 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 27 | 175.4 | -58.6 | -40 | 0 | 0 | 0 | 114.7 | F167 A169 | N128-F167 PolarHBondContact ND2-O 3.24Å; N128-A169 HydrophobicContact CB-CB 4.48Å |
| 129 | V | 88.4 | Confident | 92.8 | Very high | 31 Ų | 31 | 78.1 Ų | 78.1 | 19% | 0.188 | 42% | 0.422 | C | S | . | . | trans | -108.1 | 118.5 | 170 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | I126 P127 A131 T133 L135 L143 A169 I171 | I126-V129 HydrophobicContact CB-CG2 4.32Å; I126-V129 HydrophobicContact CG2-CG2 3.58Å; P127-V129 PolarHBondContact O-N 3.45Å; V129-A131 PolarHBondContact O-N 3.49Å; V129-T133 HydrophobicContact CG1-CG2 4.12Å; V129-L135 HydrophobicContact CG1-CD1 3.99Å; V129-L135 HydrophobicContact CG1-CD2 4.28Å; V129-L135 HydrophobicContact CG1-CG 4.08Å; V129-L135 HydrophobicContact CG2-CD1 4.17Å; V129-L143 HydrophobicContact CG2-CD1 4.44Å; V129-A169 HydrophobicContact CG2-CB 3.84Å; V129-I171 HydrophobicContact CB-CD1 4.21Å; V129-I171 HydrophobicContact CG1-CD1 4.05Å; V129-I171 HydrophobicContact CG2-CD1 4.01Å; V129-I171 HydrophobicContact CG2-CG1 4.49Å | ||
| 130 | P | 88 | Confident | 92.7 | Very high | 66 Ų | 66 | 76.5 Ų | 76.5 | 43% | 0.429 | 42% | 0.415 | S | S | . | . | trans | -57.2 | 138.8 | 175 | -25.3 | 35 | 0 | 0 | 0 | 111.4 | D132 T133 | P130-D132 WeakPolarHBondContact CB-OD1 3.4Å; P130-D132 PolarHBondContact O-N 3.1Å; P130-D132 VanDerWaalsContact O-N 3.11Å; P130-T133 VanDerWaalsContact O-CB 3.22Å; P130-T133 WeakPolarHBondContact O-CB 3.28Å; P130-T133 PolarHBondContact O-N 2.95Å | ||
| 131 | A | 83 | Confident | 92.8 | Very high | 113 Ų | 113 | 78.6 Ų | 78.6 | 93% | 0.934 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V129 T133 | V129-A131 PolarHBondContact O-N 3.49Å; A131-T133 VanDerWaalsContact C-N 3.33Å |
| 132 | D | 86.4 | Confident | 92.8 | Very high | 135 Ų | 135 | 80.4 Ų | 80.4 | 72% | 0.722 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -11.3 | 174.7 | 66 | -37.7 | 0 | 0 | 0 | 113.2 | P130 K134 | P130-D132 WeakPolarHBondContact CB-OD1 3.4Å; P130-D132 PolarHBondContact O-N 3.1Å; P130-D132 VanDerWaalsContact O-N 3.11Å; D132-K134 PolarHBondContact O-N 3.5Å |
| 133 | T | 88.9 | Confident | 92.7 | Very high | 42 Ų | 42 | 78.3 Ų | 78.3 | 26% | 0.258 | 41% | 0.411 | S | S | . | . | trans | -79.5 | 113.2 | -178.2 | -64.8 | 0 | 0 | 0 | 0 | 111.8 | V129 P130 A131 L135 I171 | V129-T133 HydrophobicContact CG1-CG2 4.12Å; P130-T133 VanDerWaalsContact O-CB 3.22Å; P130-T133 WeakPolarHBondContact O-CB 3.28Å; P130-T133 PolarHBondContact O-N 2.95Å; A131-T133 VanDerWaalsContact C-N 3.33Å; T133-L135 HydrophobicContact CG2-CD2 4.2Å; T133-L135 PolarHBondContact O-N 3.47Å; T133-I171 HydrophobicContact CG2-CD1 4.32Å; T133-I171 HydrophobicContact CG2-CG2 3.69Å | ||
| 134 | K | 88.8 | Confident | 92.8 | Very high | 201 Ų | 201 | 75.4 Ų | 75.4 | 87% | 0.874 | 40% | 0.403 | S | S | * | . | trans | -80.7 | 100.8 | 175.3 | -65.1 | -173.5 | 178.6 | 178.6 | 0 | 111.6 | D132 | D132-K134 PolarHBondContact O-N 3.5Š| ||
| 135 | L | 92 | Very high | 92.9 | Very high | 13 Ų | 13 | 72.2 Ų | 72.2 | 7% | 0.068 | 40% | 0.395 | C | S | . | . | trans | -75.7 | 127.6 | 171.6 | -61.9 | 177.4 | 0 | 0 | 0 | 111.9 | R123 I126 V129 T133 T140 L143 | R123-L135 HydrophobicContact CG-CB 4.43Å; R123-L135 HydrophobicContact CG-CD1 4.29Å; R123-L135 PolarHBondContact NE-O 3.45Å; I126-L135 HydrophobicContact CD1-CD1 3.95Å; V129-L135 HydrophobicContact CG1-CD1 3.99Å; V129-L135 HydrophobicContact CG1-CD2 4.28Å; V129-L135 HydrophobicContact CG1-CG 4.08Å; V129-L135 HydrophobicContact CG2-CD1 4.17Å; T133-L135 HydrophobicContact CG2-CD2 4.2Å; T133-L135 PolarHBondContact O-N 3.47Å; L135-T140 WeakPolarHBondContact CB-OG1 3.45Å; L135-L143 HydrophobicContact CD1-CD1 3.86Å; L135-L143 HydrophobicContact CD2-CD1 3.83Å | ||
| 136 | S | 94.4 | Very high | 93 | Very high | 60 Ų | 60 | 71.5 Ų | 71.5 | 42% | 0.42 | 39% | 0.391 | S | S | . | . | trans | -65.2 | 156.5 | 169.4 | 73.6 | 0 | 0 | 0 | 0 | 111.2 | I138 K139 T140 | S136-I138 VanDerWaalsContact C-N 3.28Å; S136-I138 PolarHBondContact O-N 2.95Å; S136-I138 WeakPolarHBondContact OG-CG2 3.18Å; S136-K139 PolarHBondContact O-N 3.4Å; S136-K139 WeakPolarHBondContact OG-CB 3.04Å; S136-K139 WeakPolarHBondContact OG-CG 3.25Å; S136-K139 PolarHBondContact OG-N 3.36Å; S136-T140 PolarHBondContact O-N 3.01Å; S136-T140 PolarHBondContact O-OG1 2.88Å | ||
| 137 | K | 96.3 | Very high | 93.1 | Very high | 107 Ų | 107 | 74.1 Ų | 74.1 | 47% | 0.465 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -52.5 | -45.8 | -179.1 | -66.9 | -174.9 | 177.5 | -172.8 | 0 | 112.3 | N116 F119 T140 L141 | N116-K137 PolarHBondContact OD1-NZ 3.32Å; F119-K137 HydrophobicContact CD1-CG 4.37Å; F119-K137 HydrophobicContact CE1-CB 3.87Å; F119-K137 HydrophobicContact CE1-CG 4.06Å; F119-K137 HydrophobicContact CE2-CD 4.33Å; F119-K137 HydrophobicContact CE2-CG 4.48Å; F119-K137 HydrophobicContact CZ-CB 4.03Å; F119-K137 HydrophobicContact CZ-CD 4.29Å; F119-K137 HydrophobicContact CZ-CG 4.13Å; K137-T140 PolarHBondContact O-N 3.4Å; K137-L141 WeakPolarHBondContact O-CG 2.99Å; K137-L141 PolarHBondContact O-N 3.21Å; K137-L141 VanDerWaalsContact O-N 3.1Å |
| 138 | I | 96.3 | Very high | 93.2 | Very high | 94 Ų | 94 | 77.1 Ų | 77.1 | 48% | 0.482 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.2 | -38 | 178.6 | -174.6 | 59.4 | 0 | 0 | 0 | 112.4 | S136 L141 R142 | S136-I138 VanDerWaalsContact C-N 3.28Å; S136-I138 PolarHBondContact O-N 2.95Å; S136-I138 WeakPolarHBondContact OG-CG2 3.18Å; I138-L141 PolarHBondContact O-N 3.2Å; I138-R142 HydrophobicContact CD1-CG 4.49Å; I138-R142 VanDerWaalsContact O-CG 3.31Å; I138-R142 WeakPolarHBondContact O-CG 3.22Å; I138-R142 PolarHBondContact O-N 3.05Å |
| 139 | K | 94.7 | Very high | 93.6 | Very high | 54 Ų | 54 | 74.2 Ų | 74.2 | 24% | 0.235 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -68.2 | -43 | 177.3 | -78.4 | -74 | -167 | 163 | 0 | 111.4 | S136 L141 R142 L143 | S136-K139 PolarHBondContact O-N 3.4Å; S136-K139 WeakPolarHBondContact OG-CB 3.04Å; S136-K139 WeakPolarHBondContact OG-CG 3.25Å; S136-K139 PolarHBondContact OG-N 3.36Å; K139-L141 VanDerWaalsContact C-N 3.33Å; K139-L141 PolarHBondContact O-N 3.44Å; K139-R142 PolarHBondContact O-N 3.49Å; K139-L143 WeakPolarHBondContact O-CB 3.41Å; K139-L143 WeakPolarHBondContact O-CG 3.36Å; K139-L143 PolarHBondContact O-N 3.08Å |
| 140 | T | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -56.2 | -48.3 | 174.2 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | F119 L122 R123 I126 L135 S136 K137 R142 L143 A144 | F119-T140 HydrophobicContact CD1-CG2 4.16Å; L122-T140 HydrophobicContact CB-CG2 4.27Å; L122-T140 HydrophobicContact CD2-CG2 3.73Å; L122-T140 HydrophobicContact CG-CG2 3.76Å; R123-T140 HydrophobicContact CG-CG2 3.86Å; R123-T140 PolarHBondContact NE-OG1 3.41Å; I126-T140 HydrophobicContact CD1-CG2 3.94Å; L135-T140 WeakPolarHBondContact CB-OG1 3.45Å; S136-T140 PolarHBondContact O-N 3.01Å; S136-T140 PolarHBondContact O-OG1 2.88Å; K137-T140 PolarHBondContact O-N 3.4Å; T140-R142 PolarHBondContact O-N 2.95Å; T140-L143 PolarHBondContact O-N 3.34Å; T140-A144 VanDerWaalsContact O-CB 3.31Å; T140-A144 WeakPolarHBondContact O-CB 3.32Å; T140-A144 PolarHBondContact O-N 3.11Å |
| 141 | L | 97.7 | Very high | 94.2 | Very high | 83 Ų | 83 | 75.2 Ų | 75.2 | 44% | 0.435 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.5 | -47 | 178.7 | -67.2 | 175.3 | 0 | 0 | 0 | 112.2 | F119 L122 K137 I138 K139 L143 A144 T145 | F119-L141 HydrophobicContact CE1-CD2 4.23Å; F119-L141 HydrophobicContact CE1-CG 4.17Å; F119-L141 HydrophobicContact CZ-CD2 4.37Å; F119-L141 HydrophobicContact CZ-CG 4.43Å; L122-L141 HydrophobicContact CD2-CD2 4.44Å; K137-L141 WeakPolarHBondContact O-CG 2.99Å; K137-L141 PolarHBondContact O-N 3.21Å; K137-L141 VanDerWaalsContact O-N 3.1Å; I138-L141 PolarHBondContact O-N 3.2Å; K139-L141 VanDerWaalsContact C-N 3.33Å; K139-L141 PolarHBondContact O-N 3.44Å; L141-L143 PolarHBondContact O-N 3.26Å; L141-A144 PolarHBondContact O-N 3.44Å; L141-T145 PolarHBondContact O-N 3.2Å; L141-T145 PolarHBondContact O-OG1 2.95Å; L141-T145 VanDerWaalsContact O-OG1 3.08Å |
| 142 | R | 96.3 | Very high | 94.7 | Very high | 159 Ų | 159 | 75.4 Ų | 75.4 | 60% | 0.6 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -60 | -48.1 | 179.2 | -73.3 | 176.4 | 179.5 | -165 | 0.2 | 112.2 | I138 K139 T140 T145 S146 | I138-R142 HydrophobicContact CD1-CG 4.49Å; I138-R142 VanDerWaalsContact O-CG 3.31Å; I138-R142 WeakPolarHBondContact O-CG 3.22Å; I138-R142 PolarHBondContact O-N 3.05Å; K139-R142 PolarHBondContact O-N 3.49Å; T140-R142 PolarHBondContact O-N 2.95Å; R142-T145 PolarHBondContact O-N 3.08Å; R142-S146 PolarHBondContact O-N 3.29Å; R142-S146 PolarHBondContact O-OG 3.34Å |
| 143 | L | 96.3 | Very high | 95 | Very high | 14 Ų | 14 | 73.2 Ų | 73.2 | 7% | 0.073 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.1 | -41.3 | -179.7 | -72.2 | 172.7 | 0 | 0 | 0 | 111.8 | I126 V129 L135 K139 T140 L141 S146 Y147 A169 | I126-L143 HydrophobicContact CD1-CB 3.88Å; I126-L143 HydrophobicContact CG1-CB 4.44Å; I126-L143 HydrophobicContact CG2-CB 3.98Å; I126-L143 HydrophobicContact CG2-CD1 4.28Å; V129-L143 HydrophobicContact CG2-CD1 4.44Å; L135-L143 HydrophobicContact CD1-CD1 3.86Å; L135-L143 HydrophobicContact CD2-CD1 3.83Å; K139-L143 WeakPolarHBondContact O-CB 3.41Å; K139-L143 WeakPolarHBondContact O-CG 3.36Å; K139-L143 PolarHBondContact O-N 3.08Å; T140-L143 PolarHBondContact O-N 3.34Å; L141-L143 PolarHBondContact O-N 3.26Å; L143-S146 PolarHBondContact O-N 3.27Å; L143-Y147 WeakPolarHBondContact O-CB 3.23Å; L143-Y147 PolarHBondContact O-N 3.13Å; L143-A169 HydrophobicContact CD2-CB 4.1Å |
| 144 | A | 97.7 | Very high | 95.1 | Very high | 14 Ų | 14 | 73.6 Ų | 73.6 | 12% | 0.116 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L122 T140 L141 S146 Y147 I148 | L122-A144 HydrophobicContact CD1-CB 3.86Å; L122-A144 HydrophobicContact CD2-CB 4.33Å; L122-A144 HydrophobicContact CG-CB 4.3Å; T140-A144 VanDerWaalsContact O-CB 3.31Å; T140-A144 WeakPolarHBondContact O-CB 3.32Å; T140-A144 PolarHBondContact O-N 3.11Å; L141-A144 PolarHBondContact O-N 3.44Å; A144-S146 PolarHBondContact O-N 3.47Å; A144-Y147 PolarHBondContact O-N 3.16Å; A144-I148 WeakPolarHBondContact O-CG1 3.37Å; A144-I148 PolarHBondContact O-N 3.2Å |
| 145 | T | 97.4 | Very high | 95.2 | Very high | 96 Ų | 96 | 69.6 Ų | 69.6 | 59% | 0.589 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.6 | -43.6 | 176.1 | -55.5 | 0 | 0 | 0 | 0 | 111.9 | L141 R142 Y147 I148 A149 | L141-T145 PolarHBondContact O-N 3.2Å; L141-T145 PolarHBondContact O-OG1 2.95Å; L141-T145 VanDerWaalsContact O-OG1 3.08Å; R142-T145 PolarHBondContact O-N 3.08Å; T145-Y147 VanDerWaalsContact C-N 3.3Å; T145-Y147 PolarHBondContact O-N 3.5Å; T145-I148 PolarHBondContact O-N 3.28Å; T145-A149 PolarHBondContact O-N 2.95Å |
| 146 | S | 96.2 | Very high | 95.1 | Very high | 65 Ų | 65 | 72.9 Ų | 72.9 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.6 | -37.2 | 175.3 | -65.2 | 0 | 0 | 0 | 0 | 112.5 | R142 L143 A144 A149 Y150 | R142-S146 PolarHBondContact O-N 3.29Å; R142-S146 PolarHBondContact O-OG 3.34Å; L143-S146 PolarHBondContact O-N 3.27Å; A144-S146 PolarHBondContact O-N 3.47Å; S146-A149 PolarHBondContact O-N 3.38Å; S146-Y150 WeakPolarHBondContact O-CB 3.45Å; S146-Y150 PolarHBondContact O-N 3.09Å |
| 147 | Y | 97.5 | Very high | 94.7 | Very high | 63 Ų | 63 | 76 Ų | 76 | 25% | 0.247 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -69.2 | -41.8 | 178.4 | -177.2 | -134 | 0 | 0 | 0 | 111.8 | C125 P127 L143 A144 T145 A149 Y150 L151 F167 | C125-Y147 WeakPolarHBondContact O-CE1 3.22Å; P127-Y147 HydrophobicContact CG-CD1 4.5Å; P127-Y147 HydrophobicContact CG-CD2 3.82Å; P127-Y147 HydrophobicContact CG-CE1 4.24Å; P127-Y147 HydrophobicContact CG-CE2 3.55Å; P127-Y147 HydrophobicContact CG-CG 4.31Å; L143-Y147 WeakPolarHBondContact O-CB 3.23Å; L143-Y147 PolarHBondContact O-N 3.13Å; A144-Y147 PolarHBondContact O-N 3.16Å; T145-Y147 VanDerWaalsContact C-N 3.3Å; T145-Y147 PolarHBondContact O-N 3.5Å; Y147-A149 VanDerWaalsContact C-N 3.34Å; Y147-A149 PolarHBondContact O-N 2.88Å; Y147-Y150 HydrophobicContact CD2-CD1 4.06Å; Y147-Y150 HydrophobicContact CE2-CD1 4.09Å; Y147-Y150 WeakPolarHBondContact O-CB 3.31Å; Y147-Y150 PolarHBondContact O-N 2.86Å; Y147-L151 HydrophobicContact CD1-CD1 4.31Å; Y147-L151 HydrophobicContact CD2-CD1 4.44Å; Y147-L151 HydrophobicContact CD2-CG 4.16Å; Y147-L151 HydrophobicContact CE1-CD1 3.85Å; Y147-L151 HydrophobicContact CE2-CD1 3.97Å; Y147-L151 HydrophobicContact CE2-CD2 3.76Å; Y147-L151 HydrophobicContact CE2-CG 3.76Å; Y147-L151 WeakPolarHBondContact O-CG 3.36Å; Y147-L151 PolarHBondContact O-N 3.42Å; Y147-F167 VanDerWaalsContact CA-CE2 3.48Å; Y147-F167 HydrophobicContact CD2-CB 4.37Å; Y147-F167 HydrophobicContact CD2-CD1 4.23Å; Y147-F167 AromaticContact CD2-CD2 3.98Å; Y147-F167 HydrophobicContact CD2-CD2 3.98Å; Y147-F167 HydrophobicContact CD2-CE2 4.31Å; Y147-F167 AromaticContact CD2-CG 3.92Å; Y147-F167 HydrophobicContact CD2-CG 3.92Å |
| 148 | I | 97.1 | Very high | 93.3 | Very high | 99 Ų | 99 | 75.9 Ų | 75.9 | 51% | 0.508 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -57.6 | -49 | 172.6 | -66.6 | 165.1 | 0 | 0 | 0 | 110.1 | A144 T145 Y150 L151 M152 | A144-I148 WeakPolarHBondContact O-CG1 3.37Å; A144-I148 PolarHBondContact O-N 3.2Å; T145-I148 PolarHBondContact O-N 3.28Å; I148-Y150 VanDerWaalsContact C-N 3.34Å; I148-Y150 PolarHBondContact O-N 3.44Å; I148-L151 PolarHBondContact O-N 3.07Å; I148-M152 HydrophobicContact CG2-CE 4.31Å; I148-M152 HydrophobicContact CG2-CG 4.33Å; I148-M152 VanDerWaalsContact O-CG 3.23Å; I148-M152 WeakPolarHBondContact O-CG 3.37Å; I148-M152 PolarHBondContact O-N 2.74Å |
| 149 | A | 95.7 | Very high | 91.7 | Very high | 49 Ų | 49 | 79.2 Ų | 79.2 | 41% | 0.405 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T145 S146 Y147 L151 M152 D153 | T145-A149 PolarHBondContact O-N 2.95Å; S146-A149 PolarHBondContact O-N 3.38Å; Y147-A149 VanDerWaalsContact C-N 3.34Å; Y147-A149 PolarHBondContact O-N 2.88Å; A149-L151 PolarHBondContact O-N 3.35Å; A149-M152 PolarHBondContact O-N 3.48Å; A149-D153 PolarHBondContact O-N 2.97Å |
| 150 | Y | 94.8 | Very high | 90.2 | Very high | 58 Ų | 58 | 84.5 Ų | 84.5 | 23% | 0.227 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 175.4 | 167.6 | -98 | 0 | 0 | 0 | 112.6 | S146 Y147 I148 D153 L154 E165 F167 | S146-Y150 WeakPolarHBondContact O-CB 3.45Å; S146-Y150 PolarHBondContact O-N 3.09Å; Y147-Y150 HydrophobicContact CD2-CD1 4.06Å; Y147-Y150 HydrophobicContact CE2-CD1 4.09Å; Y147-Y150 WeakPolarHBondContact O-CB 3.31Å; Y147-Y150 PolarHBondContact O-N 2.86Å; I148-Y150 VanDerWaalsContact C-N 3.34Å; I148-Y150 PolarHBondContact O-N 3.44Å; Y150-D153 PolarHBondContact O-N 3.33Å; Y150-L154 HydrophobicContact CE1-CD1 4.01Å; Y150-L154 WeakPolarHBondContact O-CB 3.41Å; Y150-L154 PolarHBondContact O-N 3.41Å; Y150-E165 WeakPolarHBondContact CE2-O 3.39Å; Y150-E165 PolarHBondContact OH-O 3.29Å; Y150-F167 HydrophobicContact CD1-CB 3.83Å; Y150-F167 HydrophobicContact CD1-CD2 4.25Å; Y150-F167 HydrophobicContact CD1-CG 4.43Å; Y150-F167 HydrophobicContact CD2-CB 4.37Å; Y150-F167 HydrophobicContact CE1-CB 3.88Å; Y150-F167 HydrophobicContact CE2-CB 4.42Å; Y150-F167 HydrophobicContact CG-CB 4.08Å; Y150-F167 AromaticContact CG-CD2 3.95Å; Y150-F167 HydrophobicContact CG-CD2 3.95Å; Y150-F167 HydrophobicContact CG-CG 4.49Å |
| 151 | L | 94.4 | Very high | 88.2 | Confident | 61 Ų | 61 | 92.9 Ų | 92.9 | 32% | 0.319 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 178.1 | -67 | 177.9 | 0 | 0 | 0 | 111.8 | Y147 I148 A149 L154 L155 | Y147-L151 HydrophobicContact CD1-CD1 4.31Å; Y147-L151 HydrophobicContact CD2-CD1 4.44Å; Y147-L151 HydrophobicContact CD2-CG 4.16Å; Y147-L151 HydrophobicContact CE1-CD1 3.85Å; Y147-L151 HydrophobicContact CE2-CD1 3.97Å; Y147-L151 HydrophobicContact CE2-CD2 3.76Å; Y147-L151 HydrophobicContact CE2-CG 3.76Å; Y147-L151 WeakPolarHBondContact O-CG 3.36Å; Y147-L151 PolarHBondContact O-N 3.42Å; I148-L151 PolarHBondContact O-N 3.07Å; A149-L151 PolarHBondContact O-N 3.35Å; L151-L154 PolarHBondContact O-N 3.21Å; L151-L155 VanDerWaalsContact O-CG 3.28Å; L151-L155 WeakPolarHBondContact O-CG 3.33Å; L151-L155 PolarHBondContact O-N 2.9Å |
| 152 | M | 94.8 | Very high | 86.2 | Confident | 116 Ų | 116 | 91.7 Ų | 91.7 | 57% | 0.571 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.1 | -42.7 | 176.1 | -65 | -68.1 | 149.7 | 0 | 0 | 111.6 | I148 A149 A156 | I148-M152 HydrophobicContact CG2-CE 4.31Å; I148-M152 HydrophobicContact CG2-CG 4.33Å; I148-M152 VanDerWaalsContact O-CG 3.23Å; I148-M152 WeakPolarHBondContact O-CG 3.37Å; I148-M152 PolarHBondContact O-N 2.74Å; A149-M152 PolarHBondContact O-N 3.48Å; M152-A156 WeakPolarHBondContact O-CB 3.31Å; M152-A156 PolarHBondContact O-N 2.98Å |
| 153 | D | 92 | Very high | 84.5 | Confident | 90 Ų | 90 | 92.9 Ų | 92.9 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66 | -36.9 | 176.1 | -76.2 | -5.8 | 0 | 0 | 0 | 112.3 | A149 Y150 A156 K157 | A149-D153 PolarHBondContact O-N 2.97Å; Y150-D153 PolarHBondContact O-N 3.33Å; D153-A156 PolarHBondContact O-N 3.46Å; D153-K157 WeakPolarHBondContact O-CB 3.38Å; D153-K157 WeakPolarHBondContact O-CD 3.31Å; D153-K157 WeakPolarHBondContact O-CG 3.44Å; D153-K157 PolarHBondContact O-N 3.04Å |
| 154 | L | 90.9 | Very high | 83.1 | Confident | 49 Ų | 49 | 95.2 Ų | 95.2 | 26% | 0.257 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.3 | -49.3 | 177.1 | -169.7 | 156.6 | 0 | 0 | 0 | 110.3 | Y150 L151 A156 K157 D158 A164 | Y150-L154 HydrophobicContact CE1-CD1 4.01Å; Y150-L154 WeakPolarHBondContact O-CB 3.41Å; Y150-L154 PolarHBondContact O-N 3.41Å; L151-L154 PolarHBondContact O-N 3.21Å; L154-A156 PolarHBondContact O-N 3.28Å; L154-K157 PolarHBondContact O-N 3.18Å; L154-D158 PolarHBondContact O-N 3.31Å; L154-A164 HydrophobicContact CD1-CB 4.36Å |
| 155 | L | 91.7 | Very high | 82.1 | Confident | 117 Ų | 117 | 102.1 Ų | 102.1 | 61% | 0.613 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.2 | -31.7 | 176.9 | -68.7 | 171.9 | 0 | 0 | 0 | 112.9 | L151 K157 | L151-L155 VanDerWaalsContact O-CG 3.28Å; L151-L155 WeakPolarHBondContact O-CG 3.33Å; L151-L155 PolarHBondContact O-N 2.9Å; L155-K157 VanDerWaalsContact C-N 3.33Å |
| 156 | A | 90.1 | Very high | 81.6 | Confident | 82 Ų | 82 | 101.1 Ų | 101.1 | 68% | 0.678 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -75.8 | -20.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | M152 D153 L154 | M152-A156 WeakPolarHBondContact O-CB 3.31Å; M152-A156 PolarHBondContact O-N 2.98Å; D153-A156 PolarHBondContact O-N 3.46Å; L154-A156 PolarHBondContact O-N 3.28Å |
| 157 | K | 84.8 | Confident | 81.3 | Confident | 125 Ų | 125 | 99 Ų | 99 | 54% | 0.543 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -98.7 | -4.1 | -178.8 | -72.1 | 168.3 | -171.2 | 159.7 | 0 | 113.5 | D153 L154 L155 D159 Q160 | D153-K157 WeakPolarHBondContact O-CB 3.38Å; D153-K157 WeakPolarHBondContact O-CD 3.31Å; D153-K157 WeakPolarHBondContact O-CG 3.44Å; D153-K157 PolarHBondContact O-N 3.04Å; L154-K157 PolarHBondContact O-N 3.18Å; L155-K157 VanDerWaalsContact C-N 3.33Å; K157-D159 PolarHBondContact O-N 3.32Å; K157-Q160 PolarHBondContact O-N 3.33Å |
| 158 | D | 67.9 | Low | 80.9 | Confident | 106 Ų | 106 | 104 Ų | 104 | 57% | 0.567 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -5.7 | -173.8 | -83.8 | -23.9 | 0 | 0 | 0 | 114.8 | L154 | L154-D158 PolarHBondContact O-N 3.31Š|
| 159 | D | 62.5 | Low | 80.5 | Confident | 164 Ų | 164 | 100 Ų | 100 | 88% | 0.877 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -7.9 | 167.5 | -66.8 | -34.5 | 0 | 0 | 0 | 114.2 | K157 | K157-D159 PolarHBondContact O-N 3.32Š|
| 160 | Q | 63.3 | Low | 80.1 | Confident | 164 Ų | 164 | 103.1 Ų | 103.1 | 77% | 0.766 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -122.4 | 92.6 | -177.4 | -61.5 | -163.5 | 34.7 | 0 | 0 | 110.8 | K157 G162 | K157-Q160 PolarHBondContact O-N 3.33Å; Q160-G162 VanDerWaalsContact C-N 3.35Å; Q160-G162 PolarHBondContact O-N 3.36Å |
| 161 | N | 52.5 | Low | 79.5 | Confident | 177 Ų | 177 | 103.1 Ų | 103.1 | 95% | 0.947 | 56% | 0.558 | S | S | * | * | trans | -52.8 | 88.9 | 169.7 | -179.5 | 89 | 0 | 0 | 0 | 111.5 | ||||
| 162 | G | 56.3 | Low | 78.6 | Confident | 57 Ų | 57 | 107.2 Ų | 107.2 | 59% | 0.588 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -170.8 | 97.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q160 A164 | Q160-G162 VanDerWaalsContact C-N 3.35Å; Q160-G162 PolarHBondContact O-N 3.36Å; G162-A164 PolarHBondContact O-N 3.36Å; G162-A164 VanDerWaalsContact O-N 3.17Å |
| 163 | E | 61 | Low | 77 | Confident | 185 Ų | 185 | 109.9 Ų | 109.9 | 86% | 0.864 | 58% | 0.582 | S | S | * | * | trans | 43.9 | 59.8 | 149.4 | -49.6 | -172.5 | -148.7 | 0 | 0 | 115.8 | E165 | E163-E165 PolarHBondContact O-N 3.27Š| ||
| 164 | A | 66.5 | Low | 75.4 | Confident | 63 Ų | 63 | 109.4 Ų | 109.4 | 52% | 0.521 | 58% | 0.582 | S | S | . | * | trans | -65.9 | 103.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | L154 G162 A166 | L154-A164 HydrophobicContact CD1-CB 4.36Å; G162-A164 PolarHBondContact O-N 3.36Å; G162-A164 VanDerWaalsContact O-N 3.17Å; A164-A166 PolarHBondContact O-N 3.34Å | ||
| 165 | E | 77.4 | Confident | 73.9 | Confident | 159 Ų | 159 | 111.5 Ų | 111.5 | 74% | 0.743 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -46.5 | 119.7 | 173.6 | -76.2 | -68.2 | 139.9 | 0 | 0 | 110.7 | Y150 E163 F167 | Y150-E165 WeakPolarHBondContact CE2-O 3.39Å; Y150-E165 PolarHBondContact OH-O 3.29Å; E163-E165 PolarHBondContact O-N 3.27Å; E165-F167 PolarHBondContact O-N 3.47Å |
| 166 | A | 86 | Confident | 72.3 | Confident | 74 Ų | 74 | 111.7 Ų | 111.7 | 61% | 0.612 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -58 | 140.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A164 K168 | A164-A166 PolarHBondContact O-N 3.34Å; A166-K168 PolarHBondContact O-N 2.68Å; A166-K168 VanDerWaalsContact O-N 3.13Å |
| 167 | F | 91 | Very high | 70.8 | Confident | 21 Ų | 21 | 114.7 Ų | 114.7 | 9% | 0.092 | 60% | 0.597 | C | S | . | * | P | Polyproline II helix | trans | -54.8 | 119.3 | -179.8 | 177.7 | -94.7 | 0 | 0 | 0 | 112.4 | I126 P127 N128 Y147 Y150 E165 A169 | I126-F167 HydrophobicContact CG2-CE1 4.45Å; P127-F167 HydrophobicContact CG-CD1 3.65Å; P127-F167 HydrophobicContact CG-CE1 4.2Å; P127-F167 HydrophobicContact CG-CG 4.32Å; N128-F167 PolarHBondContact ND2-O 3.24Å; Y147-F167 VanDerWaalsContact CA-CE2 3.48Å; Y147-F167 HydrophobicContact CD2-CB 4.37Å; Y147-F167 HydrophobicContact CD2-CD1 4.23Å; Y147-F167 AromaticContact CD2-CD2 3.98Å; Y147-F167 HydrophobicContact CD2-CD2 3.98Å; Y147-F167 HydrophobicContact CD2-CE2 4.31Å; Y147-F167 AromaticContact CD2-CG 3.92Å; Y147-F167 HydrophobicContact CD2-CG 3.92Å; Y150-F167 HydrophobicContact CD1-CB 3.83Å; Y150-F167 HydrophobicContact CD1-CD2 4.25Å; Y150-F167 HydrophobicContact CD1-CG 4.43Å; Y150-F167 HydrophobicContact CD2-CB 4.37Å; Y150-F167 HydrophobicContact CE1-CB 3.88Å; Y150-F167 HydrophobicContact CE2-CB 4.42Å; Y150-F167 HydrophobicContact CG-CB 4.08Å; Y150-F167 AromaticContact CG-CD2 3.95Å; Y150-F167 HydrophobicContact CG-CD2 3.95Å; Y150-F167 HydrophobicContact CG-CG 4.49Å; E165-F167 PolarHBondContact O-N 3.47Å; F167-A169 HydrophobicContact CE1-CB 4.04Å |
| 168 | K | 87.9 | Confident | 69.7 | Low | 169 Ų | 169 | 114.7 Ų | 114.7 | 74% | 0.735 | 60% | 0.599 | S | S | * | * | trans | -102.7 | 107.8 | 178.8 | -171.4 | 175.9 | -176.7 | 173.4 | 0 | 111.4 | A166 E170 | A166-K168 PolarHBondContact O-N 2.68Å; A166-K168 VanDerWaalsContact O-N 3.13Å; K168-E170 PolarHBondContact O-N 3.26Å; K168-E170 VanDerWaalsContact O-N 3.15Å | ||
| 169 | A | 89.5 | Confident | 69.5 | Low | 13 Ų | 13 | 113.7 Ų | 113.7 | 11% | 0.107 | 59% | 0.591 | C | S | . | * | trans | -69.5 | 108.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | N128 V129 L143 F167 I171 | N128-A169 HydrophobicContact CB-CB 4.48Å; V129-A169 HydrophobicContact CG2-CB 3.84Å; L143-A169 HydrophobicContact CD2-CB 4.1Å; F167-A169 HydrophobicContact CE1-CB 4.04Å; A169-I171 HydrophobicContact CB-CG1 4.26Å; A169-I171 PolarHBondContact O-N 3.23Å | ||
| 170 | E | 86.7 | Confident | 69.6 | Low | 115 Ų | 115 | 111.9 Ų | 111.9 | 54% | 0.537 | 58% | 0.575 | S | S | . | * | trans | -77.2 | 84.3 | 177 | -67 | -158.3 | 156 | 0 | 0 | 112.6 | K168 K172 | K168-E170 PolarHBondContact O-N 3.26Å; K168-E170 VanDerWaalsContact O-N 3.15Å; E170-K172 PolarHBondContact O-N 2.91Å; E170-K172 VanDerWaalsContact O-N 3.14Å | ||
| 171 | I | 83.3 | Confident | 70.1 | Confident | 59 Ų | 59 | 111.1 Ų | 111.1 | 30% | 0.303 | 57% | 0.565 | S | S | . | * | trans | -87.1 | 44.7 | 175.5 | -41.7 | 168.1 | 0 | 0 | 0 | 110.5 | V129 T133 A169 K173 | V129-I171 HydrophobicContact CB-CD1 4.21Å; V129-I171 HydrophobicContact CG1-CD1 4.05Å; V129-I171 HydrophobicContact CG2-CD1 4.01Å; V129-I171 HydrophobicContact CG2-CG1 4.49Å; T133-I171 HydrophobicContact CG2-CD1 4.32Å; T133-I171 HydrophobicContact CG2-CG2 3.69Å; A169-I171 HydrophobicContact CB-CG1 4.26Å; A169-I171 PolarHBondContact O-N 3.23Å; I171-K173 PolarHBondContact O-N 3.42Å; I171-K173 VanDerWaalsContact O-N 3.16Å | ||
| 172 | K | 73.7 | Confident | 71.3 | Confident | 146 Ų | 146 | 109.5 Ų | 109.5 | 64% | 0.635 | 55% | 0.55 | S | S | * | . | trans | -69.1 | 116.4 | 172.2 | -71.9 | 179.3 | -178.8 | 165.7 | 0 | 108.5 | E170 T174 | E170-K172 PolarHBondContact O-N 2.91Å; E170-K172 VanDerWaalsContact O-N 3.14Å; K172-T174 VanDerWaalsContact C-N 3.26Å; K172-T174 PolarHBondContact O-N 3.41Å | ||
| 173 | K | 62.7 | Low | 72.1 | Confident | 172 Ų | 172 | 112.7 Ų | 112.7 | 75% | 0.748 | 55% | 0.548 | S | S | * | . | trans | -62 | 84.4 | 172 | -68.2 | 176.8 | 179.1 | 176.6 | 0 | 109.3 | I171 D175 | I171-K173 PolarHBondContact O-N 3.42Å; I171-K173 VanDerWaalsContact O-N 3.16Å; K173-D175 VanDerWaalsContact CA-OD2 3.31Å; K173-D175 WeakPolarHBondContact CA-OD2 3.48Å; K173-D175 HydrophobicContact CB-CB 4.48Å; K173-D175 WeakPolarHBondContact CB-OD2 3.4Å; K173-D175 PolarHBondContact O-N 2.94Å | ||
| 174 | T | 58.7 | Low | 72.8 | Confident | 80 Ų | 80 | 108.1 Ų | 108.1 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | 3.4 | 164.8 | 51.2 | 0 | 0 | 0 | 0 | 111.8 | K172 V176 K177 E178 | K172-T174 VanDerWaalsContact C-N 3.26Å; K172-T174 PolarHBondContact O-N 3.41Å; T174-V176 PolarHBondContact O-N 3.07Å; T174-V176 VanDerWaalsContact O-N 3.1Å; T174-K177 PolarHBondContact O-N 2.92Å; T174-E178 PolarHBondContact O-N 3.05Å |
| 175 | D | 58.2 | Low | 73.3 | Confident | 94 Ų | 94 | 110.6 Ų | 110.6 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -50.4 | -33.1 | 177.4 | -61.3 | -80 | 0 | 0 | 0 | 112.4 | K173 K177 E178 E179 | K173-D175 VanDerWaalsContact CA-OD2 3.31Å; K173-D175 WeakPolarHBondContact CA-OD2 3.48Å; K173-D175 HydrophobicContact CB-CB 4.48Å; K173-D175 WeakPolarHBondContact CB-OD2 3.4Å; K173-D175 PolarHBondContact O-N 2.94Å; D175-K177 PolarHBondContact O-N 3.43Å; D175-E178 PolarHBondContact O-N 3.41Å; D175-E179 WeakPolarHBondContact O-CB 3.39Å; D175-E179 PolarHBondContact O-N 3.09Å |
| 176 | V | 57.4 | Low | 73.3 | Confident | 120 Ų | 120 | 106.5 Ų | 106.5 | 73% | 0.727 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.7 | -39.7 | 178.5 | -173.4 | 0 | 0 | 0 | 0 | 111.9 | T174 K180 | T174-V176 PolarHBondContact O-N 3.07Å; T174-V176 VanDerWaalsContact O-N 3.1Å; V176-K180 VanDerWaalsContact O-CB 3.24Å; V176-K180 WeakPolarHBondContact O-CB 3.4Å; V176-K180 PolarHBondContact O-N 3.3Å |
| 177 | K | 59.3 | Low | 72.9 | Confident | 146 Ų | 146 | 109.5 Ų | 109.5 | 64% | 0.635 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -79 | -26.4 | -179.5 | -170.7 | 170.5 | 177.8 | 170.6 | 0 | 112.1 | T174 D175 R181 | T174-K177 PolarHBondContact O-N 2.92Å; D175-K177 PolarHBondContact O-N 3.43Å; K177-R181 WeakPolarHBondContact O-CB 3.35Å; K177-R181 WeakPolarHBondContact O-CG 3.23Å; K177-R181 PolarHBondContact O-N 3.13Å; K177-R181 VanDerWaalsContact O-N 3.17Å; K177-R181 PolarHBondContact O-NE 3.44Å |
| 178 | E | 62.5 | Low | 72.2 | Confident | 124 Ų | 124 | 113.6 Ų | 113.6 | 58% | 0.579 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -81.5 | -41.6 | 175.7 | -167.4 | 167.6 | 177 | 0 | 0 | 111.5 | T174 D175 K180 R181 K182 | T174-E178 PolarHBondContact O-N 3.05Å; D175-E178 PolarHBondContact O-N 3.41Å; E178-K180 VanDerWaalsContact C-N 3.34Å; E178-K180 PolarHBondContact O-N 2.89Å; E178-R181 PolarHBondContact O-N 2.86Å; E178-K182 VanDerWaalsContact O-CB 3.31Å; E178-K182 WeakPolarHBondContact O-CB 3.32Å; E178-K182 PolarHBondContact O-N 3.05Å |
| 179 | E | 62.3 | Low | 71.4 | Confident | 85 Ų | 85 | 110.6 Ų | 110.6 | 40% | 0.397 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60 | -42.7 | 169.1 | -89.7 | -80.9 | 120.2 | 0 | 0 | 111.3 | D175 K182 K183 | D175-E179 WeakPolarHBondContact O-CB 3.39Å; D175-E179 PolarHBondContact O-N 3.09Å; E179-K182 PolarHBondContact O-N 3.41Å; E179-K183 VanDerWaalsContact O-CB 3.3Å; E179-K183 WeakPolarHBondContact O-CB 3.39Å; E179-K183 WeakPolarHBondContact O-CD 3.41Å; E179-K183 WeakPolarHBondContact O-CG 3.49Å; E179-K183 PolarHBondContact O-N 2.98Å; E179-K183 WeakPolarHBondContact OE2-CE 3.29Å; E179-K183 IonicContact OE2-NZ 2.85Å; E179-K183 PolarHBondContact OE2-NZ 3.46Å |
| 180 | K | 66.6 | Low | 70.7 | Confident | 127 Ų | 127 | 115.5 Ų | 115.5 | 55% | 0.552 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.3 | -47.7 | 174.4 | -178 | 168.8 | 175.7 | 171.5 | 0 | 111.1 | V176 E178 K182 K183 E184 | V176-K180 VanDerWaalsContact O-CB 3.24Å; V176-K180 WeakPolarHBondContact O-CB 3.4Å; V176-K180 PolarHBondContact O-N 3.3Å; E178-K180 VanDerWaalsContact C-N 3.34Å; E178-K180 PolarHBondContact O-N 2.89Å; K180-K182 VanDerWaalsContact C-N 3.32Å; K180-K182 PolarHBondContact O-N 3.48Å; K180-K183 PolarHBondContact O-N 3.17Å; K180-E184 WeakPolarHBondContact CE-OE1 3.44Å; K180-E184 HydrophobicContact CG-CG 4.35Å; K180-E184 WeakPolarHBondContact CG-OE1 3.48Å; K180-E184 IonicContact NZ-OE1 3.98Å; K180-E184 WeakPolarHBondContact O-CB 3.35Å; K180-E184 VanDerWaalsContact O-CG 3.26Å; K180-E184 WeakPolarHBondContact O-CG 3.4Å; K180-E184 PolarHBondContact O-N 3.42Å |
| 181 | R | 73.8 | Confident | 69.8 | Low | 148 Ų | 148 | 113.4 Ų | 113.4 | 56% | 0.558 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.7 | -36.3 | 175.7 | -81.7 | -175.5 | -90.9 | 172.9 | -8.5 | 113 | K177 E178 L185 | K177-R181 WeakPolarHBondContact O-CB 3.35Å; K177-R181 WeakPolarHBondContact O-CG 3.23Å; K177-R181 PolarHBondContact O-N 3.13Å; K177-R181 VanDerWaalsContact O-N 3.17Å; K177-R181 PolarHBondContact O-NE 3.44Å; E178-R181 PolarHBondContact O-N 2.86Å; R181-L185 VanDerWaalsContact O-CB 3.22Å; R181-L185 WeakPolarHBondContact O-CB 3.35Å; R181-L185 PolarHBondContact O-N 3.29Å |
| 182 | K | 76.7 | Confident | 69 | Low | 143 Ų | 143 | 115.3 Ų | 115.3 | 62% | 0.622 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -72 | -37.5 | 177.5 | -168.9 | 179 | 178 | -173.1 | 0 | 111.8 | E178 E179 K180 N186 | E178-K182 VanDerWaalsContact O-CB 3.31Å; E178-K182 WeakPolarHBondContact O-CB 3.32Å; E178-K182 PolarHBondContact O-N 3.05Å; E179-K182 PolarHBondContact O-N 3.41Å; K180-K182 VanDerWaalsContact C-N 3.32Å; K180-K182 PolarHBondContact O-N 3.48Å; K182-N186 VanDerWaalsContact O-CB 3.23Å; K182-N186 WeakPolarHBondContact O-CB 3.46Å; K182-N186 PolarHBondContact O-N 3.28Å |
| 183 | K | 74.1 | Confident | 68.4 | Low | 124 Ų | 124 | 113.5 Ų | 113.5 | 54% | 0.539 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.3 | -46 | 172.3 | -74.7 | 165.6 | -178.1 | 157.8 | 0 | 111 | E179 K180 N186 E187 | E179-K183 VanDerWaalsContact O-CB 3.3Å; E179-K183 WeakPolarHBondContact O-CB 3.39Å; E179-K183 WeakPolarHBondContact O-CD 3.41Å; E179-K183 WeakPolarHBondContact O-CG 3.49Å; E179-K183 PolarHBondContact O-N 2.98Å; E179-K183 WeakPolarHBondContact OE2-CE 3.29Å; E179-K183 IonicContact OE2-NZ 2.85Å; E179-K183 PolarHBondContact OE2-NZ 3.46Å; K180-K183 PolarHBondContact O-N 3.17Å; K183-N186 CarbonylContact O-C 3.6Å; K183-N186 WeakPolarHBondContact O-CB 3.49Å; K183-N186 PolarHBondContact O-N 3.15Å; K183-E187 WeakPolarHBondContact O-CB 3.42Å; K183-E187 PolarHBondContact O-N 2.97Å |
| 184 | E | 74.7 | Confident | 68.3 | Low | 89 Ų | 89 | 110.2 Ų | 110.2 | 42% | 0.416 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.5 | -45.7 | 175.2 | -74.7 | 170.2 | 174.1 | 0 | 0 | 111.4 | K180 N186 E187 I188 | K180-E184 WeakPolarHBondContact CE-OE1 3.44Å; K180-E184 HydrophobicContact CG-CG 4.35Å; K180-E184 WeakPolarHBondContact CG-OE1 3.48Å; K180-E184 IonicContact NZ-OE1 3.98Å; K180-E184 WeakPolarHBondContact O-CB 3.35Å; K180-E184 VanDerWaalsContact O-CG 3.26Å; K180-E184 WeakPolarHBondContact O-CG 3.4Å; K180-E184 PolarHBondContact O-N 3.42Å; E184-N186 VanDerWaalsContact C-N 3.31Å; E184-N186 PolarHBondContact O-N 3.32Å; E184-E187 PolarHBondContact O-N 2.96Å; E184-I188 WeakPolarHBondContact O-CB 3.42Å; E184-I188 WeakPolarHBondContact O-CD1 3.18Å; E184-I188 WeakPolarHBondContact O-CG1 3.49Å; E184-I188 PolarHBondContact O-N 3.42Å |
| 185 | L | 76.5 | Confident | 68.2 | Low | 114 Ų | 114 | 110.4 Ų | 110.4 | 60% | 0.597 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.4 | -40.1 | 174.9 | -163.6 | 164.1 | 0 | 0 | 0 | 110.8 | R181 I188 L189 | R181-L185 VanDerWaalsContact O-CB 3.22Å; R181-L185 WeakPolarHBondContact O-CB 3.35Å; R181-L185 PolarHBondContact O-N 3.29Å; L185-I188 PolarHBondContact O-N 2.93Å; L185-L189 VanDerWaalsContact O-CB 3.31Å; L185-L189 WeakPolarHBondContact O-CB 2.9Å; L185-L189 PolarHBondContact O-N 3.45Å |
| 186 | N | 77.4 | Confident | 67.9 | Low | 73 Ų | 73 | 112.7 Ų | 112.7 | 39% | 0.39 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.8 | -40.3 | 176.7 | -166.9 | -94.4 | 0 | 0 | 0 | 112.7 | K182 K183 E184 L189 K190 | K182-N186 VanDerWaalsContact O-CB 3.23Å; K182-N186 WeakPolarHBondContact O-CB 3.46Å; K182-N186 PolarHBondContact O-N 3.28Å; K183-N186 CarbonylContact O-C 3.6Å; K183-N186 WeakPolarHBondContact O-CB 3.49Å; K183-N186 PolarHBondContact O-N 3.15Å; E184-N186 VanDerWaalsContact C-N 3.31Å; E184-N186 PolarHBondContact O-N 3.32Å; N186-L189 PolarHBondContact O-N 3.48Å; N186-K190 VanDerWaalsContact O-CB 3.32Å; N186-K190 WeakPolarHBondContact O-CB 3.42Å; N186-K190 VanDerWaalsContact O-CG 3.25Å; N186-K190 WeakPolarHBondContact O-CG 3.48Å; N186-K190 PolarHBondContact O-N 3.06Å; N186-K190 WeakPolarHBondContact OD1-CD 3.42Å; N186-K190 WeakPolarHBondContact OD1-CE 3.49Å; N186-K190 PolarHBondContact OD1-NZ 3.38Å |
| 187 | E | 78.4 | Confident | 67.6 | Low | 137 Ų | 137 | 112.7 Ų | 112.7 | 64% | 0.64 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.9 | -48 | 173.2 | -90.2 | -105.2 | 112.5 | 0 | 0 | 111.5 | K183 E184 L189 K190 S191 | K183-E187 WeakPolarHBondContact O-CB 3.42Å; K183-E187 PolarHBondContact O-N 2.97Å; E184-E187 PolarHBondContact O-N 2.96Å; E187-L189 VanDerWaalsContact C-N 3.32Å; E187-L189 PolarHBondContact O-N 3.17Å; E187-K190 WeakPolarHBondContact O-CB 3.17Å; E187-K190 PolarHBondContact O-N 3.17Å; E187-K190 VanDerWaalsContact O-N 3.15Å; E187-S191 WeakPolarHBondContact O-CB 2.88Å; E187-S191 PolarHBondContact O-N 3.31Å; E187-S191 PolarHBondContact O-OG 2.93Å |
| 188 | I | 75.6 | Confident | 67.2 | Low | 108 Ų | 108 | 115.7 Ų | 115.7 | 55% | 0.554 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -58.6 | -47.6 | 175.6 | -67.6 | 162.6 | 0 | 0 | 0 | 109.5 | E184 L185 K190 S191 T192 | E184-I188 WeakPolarHBondContact O-CB 3.42Å; E184-I188 WeakPolarHBondContact O-CD1 3.18Å; E184-I188 WeakPolarHBondContact O-CG1 3.49Å; E184-I188 PolarHBondContact O-N 3.42Å; L185-I188 PolarHBondContact O-N 2.93Å; I188-K190 VanDerWaalsContact C-N 3.32Å; I188-K190 PolarHBondContact O-N 3.26Å; I188-S191 PolarHBondContact O-N 3.24Å; I188-S191 PolarHBondContact O-OG 3.29Å; I188-T192 WeakPolarHBondContact O-CB 3.43Å; I188-T192 PolarHBondContact O-N 3.02Å; I188-T192 PolarHBondContact O-OG1 3.21Å |
| 189 | L | 72.4 | Confident | 66.9 | Low | 106 Ų | 106 | 118.8 Ų | 118.8 | 56% | 0.555 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -60.3 | -41.3 | 177.3 | -158.2 | 97.2 | 0 | 0 | 0 | 111.9 | L185 N186 E187 V193 | L185-L189 VanDerWaalsContact O-CB 3.31Å; L185-L189 WeakPolarHBondContact O-CB 2.9Å; L185-L189 PolarHBondContact O-N 3.45Å; N186-L189 PolarHBondContact O-N 3.48Å; E187-L189 VanDerWaalsContact C-N 3.32Å; E187-L189 PolarHBondContact O-N 3.17Å; L189-V193 WeakPolarHBondContact O-CG1 3.46Å; L189-V193 WeakPolarHBondContact O-CG2 3.28Å; L189-V193 PolarHBondContact O-N 3.3Å |
| 190 | K | 73.6 | Confident | 66.7 | Low | 116 Ų | 116 | 120.4 Ų | 120.4 | 50% | 0.504 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.8 | -40.7 | 177.4 | -82.1 | 172.3 | 172.6 | 171.9 | 0 | 113.1 | N186 E187 I188 V193 S194 | N186-K190 VanDerWaalsContact O-CB 3.32Å; N186-K190 WeakPolarHBondContact O-CB 3.42Å; N186-K190 VanDerWaalsContact O-CG 3.25Å; N186-K190 WeakPolarHBondContact O-CG 3.48Å; N186-K190 PolarHBondContact O-N 3.06Å; N186-K190 WeakPolarHBondContact OD1-CD 3.42Å; N186-K190 WeakPolarHBondContact OD1-CE 3.49Å; N186-K190 PolarHBondContact OD1-NZ 3.38Å; E187-K190 WeakPolarHBondContact O-CB 3.17Å; E187-K190 PolarHBondContact O-N 3.17Å; E187-K190 VanDerWaalsContact O-N 3.15Å; I188-K190 VanDerWaalsContact C-N 3.32Å; I188-K190 PolarHBondContact O-N 3.26Å; K190-V193 WeakPolarHBondContact O-CG2 3.41Å; K190-V193 PolarHBondContact O-N 3.11Å; K190-S194 PolarHBondContact O-N 3Å; K190-S194 PolarHBondContact O-OG 2.96Å |
| 191 | S | 68.8 | Low | 66.3 | Low | 71 Ų | 71 | 124.6 Ų | 124.6 | 50% | 0.497 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -67.1 | -42.3 | 177.8 | 70.1 | 0 | 0 | 0 | 0 | 111.1 | E187 I188 V193 S194 S195 | E187-S191 WeakPolarHBondContact O-CB 2.88Å; E187-S191 PolarHBondContact O-N 3.31Å; E187-S191 PolarHBondContact O-OG 2.93Å; I188-S191 PolarHBondContact O-N 3.24Å; I188-S191 PolarHBondContact O-OG 3.29Å; S191-V193 VanDerWaalsContact C-N 3.3Å; S191-V193 PolarHBondContact O-N 3.45Å; S191-S194 PolarHBondContact O-N 2.9Å; S191-S194 VanDerWaalsContact O-N 3.14Å; S191-S195 PolarHBondContact O-N 3.23Å |
| 192 | T | 65.8 | Low | 65.4 | Low | 98 Ų | 98 | 119 Ų | 119 | 60% | 0.601 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.3 | -31.5 | 176.6 | -57.5 | 0 | 0 | 0 | 0 | 112.6 | I188 | I188-T192 WeakPolarHBondContact O-CB 3.43Å; I188-T192 PolarHBondContact O-N 3.02Å; I188-T192 PolarHBondContact O-OG1 3.21Å |
| 193 | V | 61.4 | Low | 64.5 | Low | 109 Ų | 109 | 124.3 Ų | 124.3 | 66% | 0.661 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -85.3 | -11.7 | 175.7 | -61 | 0 | 0 | 0 | 0 | 114.3 | L189 K190 S191 | L189-V193 WeakPolarHBondContact O-CG1 3.46Å; L189-V193 WeakPolarHBondContact O-CG2 3.28Å; L189-V193 PolarHBondContact O-N 3.3Å; K190-V193 WeakPolarHBondContact O-CG2 3.41Å; K190-V193 PolarHBondContact O-N 3.11Å; S191-V193 VanDerWaalsContact C-N 3.3Å; S191-V193 PolarHBondContact O-N 3.45Å |
| 194 | S | 59.6 | Low | 64.2 | Low | 103 Ų | 103 | 121.4 Ų | 121.4 | 72% | 0.72 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -91 | -17.3 | 179.9 | -62 | 0 | 0 | 0 | 0 | 113.3 | K190 S191 | K190-S194 PolarHBondContact O-N 3Å; K190-S194 PolarHBondContact O-OG 2.96Å; S191-S194 PolarHBondContact O-N 2.9Å; S191-S194 VanDerWaalsContact O-N 3.14Å |
| 195 | S | 57.4 | Low | 64.1 | Low | 83 Ų | 83 | 121.4 Ų | 121.4 | 58% | 0.58 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -100 | 121.7 | 169.3 | -77.4 | 0 | 0 | 0 | 0 | 110.5 | S191 | S191-S195 PolarHBondContact O-N 3.23Š|
| 196 | N | 51.9 | Low | 64 | Low | 142 Ų | 142 | 123.7 Ų | 123.7 | 76% | 0.759 | 65% | 0.653 | S | S | * | * | S | Bend | trans | 97.6 | 98.6 | 173.9 | -55.3 | -69.6 | 0 | 0 | 0 | 117.3 | ||
| 197 | D | 51.3 | Low | 63.9 | Low | 120 Ų | 120 | 123.5 Ų | 123.5 | 64% | 0.642 | 66% | 0.655 | S | S | * | * | trans | 47.4 | 106.4 | 130.1 | -61.9 | -77 | 0 | 0 | 0 | 120.2 | K199 | D197-K199 PolarHBondContact O-N 3.39Å; D197-K199 VanDerWaalsContact O-N 3.13Å | ||
| 198 | K | 51.7 | Low | 63.7 | Low | 210 Ų | 210 | 122.8 Ų | 122.8 | 91% | 0.913 | 65% | 0.652 | S | S | * | * | trans | 33.8 | 68.2 | 139.7 | -65.3 | 174.4 | 174.3 | 153.5 | 0 | 115.8 | ||||
| 199 | K | 55.3 | Low | 63.8 | Low | 188 Ų | 188 | 123.5 Ų | 123.5 | 82% | 0.817 | 65% | 0.653 | S | S | * | * | trans | -129.1 | 111.7 | 173.7 | -85.8 | 176.5 | 171.9 | 163 | 0 | 114.1 | D197 K201 | D197-K199 PolarHBondContact O-N 3.39Å; D197-K199 VanDerWaalsContact O-N 3.13Å; K199-K201 PolarHBondContact O-N 3.14Å | ||
| 200 | T | 58.8 | Low | 64.1 | Low | 120 Ų | 120 | 121.1 Ų | 121.1 | 74% | 0.736 | 64% | 0.643 | S | S | * | * | trans | -5.3 | 95.1 | 154 | 50.4 | 0 | 0 | 0 | 0 | 115.8 | G202 | T200-G202 VanDerWaalsContact C-N 3.31Å; T200-G202 PolarHBondContact O-N 3.06Å | ||
| 201 | K | 56.6 | Low | 64.1 | Low | 214 Ų | 214 | 121.6 Ų | 121.6 | 93% | 0.93 | 64% | 0.642 | S | S | * | * | trans | -76.3 | 78.3 | 178.1 | -147.8 | 159.1 | -173 | 166.3 | 0 | 110.5 | K199 R203 | K199-K201 PolarHBondContact O-N 3.14Å; K201-R203 PolarHBondContact O-N 2.98Å | ||
| 202 | G | 55 | Low | 64.5 | Low | 32 Ų | 32 | 121 Ų | 121 | 33% | 0.33 | 64% | 0.641 | S | S | . | * | trans | -75.4 | 108.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T200 T204 | T200-G202 VanDerWaalsContact C-N 3.31Å; T200-G202 PolarHBondContact O-N 3.06Å; G202-T204 PolarHBondContact O-N 3.22Å; G202-T204 PolarHBondContact O-OG1 2.67Å | ||
| 203 | R | 59.3 | Low | 65 | Low | 253 Ų | 253 | 122 Ų | 122 | 96% | 0.955 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 36.8 | -9.9 | 153.5 | -142.9 | 177.8 | -86.8 | -113.9 | 3.5 | 122.5 | K201 | K201-R203 PolarHBondContact O-N 2.98Š|
| 204 | T | 67.1 | Low | 65.5 | Low | 63 Ų | 63 | 124.9 Ų | 124.9 | 39% | 0.387 | 65% | 0.648 | S | S | . | * | S | Bend | trans | -144.4 | 129.8 | -175.6 | 48.9 | 0 | 0 | 0 | 0 | 108.2 | G202 W206 W211 | G202-T204 PolarHBondContact O-N 3.22Å; G202-T204 PolarHBondContact O-OG1 2.67Å; T204-W206 PolarHBondContact O-N 3.37Å; T204-W211 VanDerWaalsContact CB-CH2 3.42Å; T204-W211 HydrophobicContact CG2-CH2 3.58Å; T204-W211 HydrophobicContact CG2-CZ2 4.37Å; T204-W211 HydrophobicContact CG2-CZ3 4.42Å; T204-W211 WeakPolarHBondContact OG1-CH2 3.36Å; T204-W211 WeakPolarHBondContact OG1-CZ3 3.28Å |
| 205 | G | 71.7 | Confident | 66.1 | Low | 90 Ų | 90 | 127.2 Ų | 127.2 | 93% | 0.928 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -64.7 | 19.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 206 | W | 74.1 | Confident | 66.4 | Low | 162 Ų | 162 | 132 Ų | 132 | 61% | 0.614 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -106.8 | 130.5 | 174.4 | -72.6 | 88.1 | 0 | 0 | 0 | 109 | T204 Q208 V210 W211 | T204-W206 PolarHBondContact O-N 3.37Å; W206-Q208 PolarHBondContact O-N 3.3Å; W206-V210 HydrophobicContact CE3-CG1 4.43Å; W206-W211 HydrophobicContact CB-CZ2 4.17Å |
| 207 | P | 76.7 | Confident | 66.2 | Low | 68 Ų | 68 | 137.5 Ų | 137.5 | 44% | 0.442 | 68% | 0.683 | S | S | . | * | trans | -58.1 | 127 | 174.8 | -21.2 | 31.9 | 0 | 0 | 0 | 110.6 | H209 V210 | P207-H209 WeakPolarHBondContact CB-ND1 3.45Å; P207-H209 PolarHBondContact O-N 3.39Å; P207-V210 HydrophobicContact CB-CG2 4.08Å; P207-V210 HydrophobicContact CG-CG2 4.26Å; P207-V210 WeakPolarHBondContact O-CB 3.1Å; P207-V210 PolarHBondContact O-N 3.14Å | ||
| 208 | Q | 74.4 | Confident | 66.9 | Low | 123 Ų | 123 | 138.4 Ų | 138.4 | 58% | 0.575 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -52.1 | -33.3 | -176.7 | -85.3 | -172.9 | -16 | 0 | 0 | 113.9 | W206 V210 W211 A212 | W206-Q208 PolarHBondContact O-N 3.3Å; Q208-V210 VanDerWaalsContact C-N 3.28Å; Q208-V210 PolarHBondContact O-N 3.31Å; Q208-W211 PolarHBondContact O-N 3.46Å; Q208-A212 PolarHBondContact O-N 2.99Å |
| 209 | H | 77.4 | Confident | 67.7 | Low | 122 Ų | 122 | 134.6 Ų | 134.6 | 57% | 0.565 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -65.1 | -30.5 | 179.9 | 77 | -95.6 | 0 | 0 | 0 | 112.9 | P207 W211 A212 L213 | P207-H209 WeakPolarHBondContact CB-ND1 3.45Å; P207-H209 PolarHBondContact O-N 3.39Å; H209-W211 VanDerWaalsContact C-N 3.33Å; H209-W211 PolarHBondContact O-N 3.33Å; H209-A212 PolarHBondContact O-N 2.82Å; H209-L213 WeakPolarHBondContact O-CG 3.23Å; H209-L213 PolarHBondContact O-N 3.28Å |
| 210 | V | 79.4 | Confident | 68.4 | Low | 57 Ų | 57 | 131.6 Ų | 131.6 | 35% | 0.345 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -66.1 | -38.6 | 178.9 | 177.3 | 0 | 0 | 0 | 0 | 110.2 | W206 P207 Q208 | W206-V210 HydrophobicContact CE3-CG1 4.43Å; P207-V210 HydrophobicContact CB-CG2 4.08Å; P207-V210 HydrophobicContact CG-CG2 4.26Å; P207-V210 WeakPolarHBondContact O-CB 3.1Å; P207-V210 PolarHBondContact O-N 3.14Å; Q208-V210 VanDerWaalsContact C-N 3.28Å; Q208-V210 PolarHBondContact O-N 3.31Å |
| 211 | W | 73.4 | Confident | 69 | Low | 126 Ų | 126 | 132.3 Ų | 132.3 | 48% | 0.477 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -70.6 | -37 | 173.6 | -73.1 | -24.8 | 0 | 0 | 0 | 113.7 | T204 W206 Q208 H209 L213 E214 | T204-W211 VanDerWaalsContact CB-CH2 3.42Å; T204-W211 HydrophobicContact CG2-CH2 3.58Å; T204-W211 HydrophobicContact CG2-CZ2 4.37Å; T204-W211 HydrophobicContact CG2-CZ3 4.42Å; T204-W211 WeakPolarHBondContact OG1-CH2 3.36Å; T204-W211 WeakPolarHBondContact OG1-CZ3 3.28Å; W206-W211 HydrophobicContact CB-CZ2 4.17Å; Q208-W211 PolarHBondContact O-N 3.46Å; H209-W211 VanDerWaalsContact C-N 3.33Å; H209-W211 PolarHBondContact O-N 3.33Å; W211-L213 PolarHBondContact O-N 3.37Å; W211-E214 PolarHBondContact O-N 3.35Å |
| 212 | A | 76.6 | Confident | 69.7 | Low | 58 Ų | 58 | 127.2 Ų | 127.2 | 48% | 0.479 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -66.3 | -28.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q208 H209 | Q208-A212 PolarHBondContact O-N 2.99Å; H209-A212 PolarHBondContact O-N 2.82Å |
| 213 | L | 76.3 | Confident | 70.7 | Confident | 120 Ų | 120 | 133.5 Ų | 133.5 | 63% | 0.628 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -73.7 | -34.7 | 177 | -73.7 | 166.4 | 0 | 0 | 0 | 112.6 | H209 W211 L215 K216 | H209-L213 WeakPolarHBondContact O-CG 3.23Å; H209-L213 PolarHBondContact O-N 3.28Å; W211-L213 PolarHBondContact O-N 3.37Å; L213-L215 PolarHBondContact O-N 2.74Å; L213-K216 PolarHBondContact O-N 2.99Å |
| 214 | E | 72.6 | Confident | 71.5 | Confident | 169 Ų | 169 | 125 Ų | 125 | 79% | 0.79 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -70.3 | -17.8 | 179.2 | -160.3 | 67.1 | -145.7 | 0 | 0 | 113 | W211 | W211-E214 PolarHBondContact O-N 3.35Å |
| 215 | L | 70.4 | Confident | 71.9 | Confident | 151 Ų | 151 | 129.8 Ų | 129.8 | 79% | 0.791 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 8 | 178.7 | -71.1 | 173.4 | 0 | 0 | 0 | 113.9 | L213 | L213-L215 PolarHBondContact O-N 2.74Š|
| 216 | K | 64 | Low | 71.9 | Confident | 184 Ų | 184 | 133.1 Ų | 133.1 | 80% | 0.8 | 64% | 0.642 | S | S | * | * | trans | -116.2 | 22.7 | -170.5 | -107.6 | 178.1 | 169.5 | 171.3 | 0 | 115.3 | L213 | L213-K216 PolarHBondContact O-N 2.99Š| ||
| 217 | Q | 47.4 | Very low | 71.7 | Confident | 257 Ų | 257 | 130.5 Ų | 130.5 | 100% | 1.201 | 65% | 0.645 | S | S | * | * | trans | -105.7 | 0 | 161.6 | -65.9 | -152.1 | -2.6 | 0 | 0 | 110.3 |
Retrieved 217 of 217 residues in 869.4 ms
(Link to these results)